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 1mz5_1_A DATA FIRST_RESID 1 DATA SEQUENCE LAPGSSRVEL FKRKNSTVPF EESNGTIRER VVHSFRIPTI VNVDGVMVAT DATA SEQUENCE ADARYETSFD NSFIETAVKY SVDDGATWNT QIAIKNSRAS SVSRVMDATV DATA SEQUENCE IVKGNKLYIL VGSFNKTRNS WTQHRDGSDW EPLLVVGEVT KSAANGKTTA DATA SEQUENCE TISWGKPVSL KPLFPAEFDG ILTKEFVGGV GAAIVGSNGN LVYPVQIADM DATA SEQUENCE GGRVFTKIMY SEDDGNTWKF AEGRSKFGCS EPAVLEWEGK LIINNRVDGN DATA SEQUENCE RRLVYESSDM GKTWVEALGT LSHVWTNSPT SNQQDCQSSF VAVTIEGKRV DATA SEQUENCE MLFTHPLNLK GRWMRDRLHL WMTDNQRIFD VGQISIGDEN SGYSSVLYKD DATA SEQUENCE DKLYSLHEIN TNDVYSLVFV RFIGELQLMK SVVRTWKEED NHLASIcTPV DATA SEQUENCE VPAXXXXXXG cGAAVPTAGL VGFLSHSANG SVWEDVYRCV DANVANAERV DATA SEQUENCE PNGLKFNGVG GGAVWPVARQ GQTRRYQFAN YRFTLVATVT IDELPKGTSP DATA SEQUENCE LLGAGLEGPG DAKLLGLSYD KNRQWRPLYG AAPASPTGSW ELHKKYHVVL DATA SEQUENCE TMADRQGSVY VDGQPLAGSG NTVVRGATLP DISHFYIGGP XXXGAPTDSR DATA SEQUENCE VTVTNIVLYN RRLNSSEIRT LFLSQDMIGT D VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.866 176.870 -0.007 0.000 1.165 1 L CA 0.000 54.848 54.840 0.013 0.000 0.813 1 L CB 0.000 42.100 42.059 0.069 0.000 0.961 2 A N 4.674 127.490 122.820 -0.006 0.000 2.386 2 A HA 0.718 5.070 4.320 0.053 0.000 0.248 2 A C -2.419 175.168 177.584 0.006 0.000 1.082 2 A CA -0.960 51.067 52.037 -0.016 0.000 0.789 2 A CB -0.566 18.420 19.000 -0.024 0.000 1.025 2 A HN 0.576 nan 8.150 nan 0.000 0.490 3 P HA 0.286 nan 4.420 nan 0.000 0.265 3 P C 1.027 178.332 177.300 0.010 0.000 1.193 3 P CA 1.769 64.872 63.100 0.005 0.000 0.765 3 P CB 0.708 32.408 31.700 0.001 0.000 0.823 4 G N 1.462 110.269 108.800 0.012 0.000 2.234 4 G HA2 -0.224 3.767 3.960 0.053 0.000 0.235 4 G HA3 -0.224 3.767 3.960 0.053 0.000 0.235 4 G C 0.508 175.418 174.900 0.016 0.000 0.997 4 G CA 0.096 45.203 45.100 0.012 0.000 0.623 4 G HN 0.580 nan 8.290 nan 0.000 0.514 5 S N -0.109 115.608 115.700 0.028 0.000 2.681 5 S HA 0.851 5.353 4.470 0.053 0.000 0.270 5 S C 0.342 174.953 174.600 0.019 0.000 1.209 5 S CA 0.485 58.708 58.200 0.038 0.000 0.988 5 S CB 1.721 64.985 63.200 0.107 0.000 1.006 5 S HN 1.860 nan 8.310 nan 0.000 0.558 6 S N 0.020 115.716 115.700 -0.007 0.000 2.615 6 S HA 0.757 5.259 4.470 0.053 0.000 0.268 6 S C -1.301 173.263 174.600 -0.060 0.000 1.146 6 S CA -1.228 56.963 58.200 -0.015 0.000 0.818 6 S CB 1.591 64.788 63.200 -0.004 0.000 1.111 6 S HN 1.021 nan 8.310 nan 0.000 0.465 7 R N -0.733 119.745 120.500 -0.036 0.000 2.752 7 R HA 0.861 5.233 4.340 0.053 0.000 0.271 7 R C -1.538 174.766 176.300 0.007 0.000 1.026 7 R CA -0.940 55.127 56.100 -0.055 0.000 0.901 7 R CB 1.231 31.494 30.300 -0.061 0.000 1.243 7 R HN 1.362 nan 8.270 nan 0.000 0.463 8 V N -2.304 117.637 119.914 0.045 0.000 2.962 8 V HA 0.509 4.661 4.120 0.053 0.000 0.313 8 V C -0.507 175.603 176.094 0.026 0.000 1.099 8 V CA -0.995 61.339 62.300 0.057 0.000 0.971 8 V CB 1.884 33.774 31.823 0.112 0.000 1.028 8 V HN 0.983 nan 8.190 nan 0.000 0.430 9 E N 1.765 121.960 120.200 -0.009 0.000 1.814 9 E HA 0.230 4.612 4.350 0.053 0.000 0.264 9 E C 0.627 177.172 176.600 -0.091 0.000 1.179 9 E CA -0.413 55.967 56.400 -0.033 0.000 0.972 9 E CB 0.942 30.628 29.700 -0.025 0.000 1.077 9 E HN 0.770 nan 8.360 nan 0.000 0.417 10 L N 4.622 125.772 121.223 -0.122 0.000 2.056 10 L HA 0.078 4.450 4.340 0.053 0.000 0.207 10 L C -0.133 176.375 176.870 -0.603 0.000 1.078 10 L CA 1.652 56.267 54.840 -0.374 0.000 0.749 10 L CB 0.101 41.869 42.059 -0.484 0.000 0.901 10 L HN 0.393 nan 8.230 nan 0.000 0.433 11 F N 1.025 120.689 119.950 -0.477 0.000 2.311 11 F HA 0.366 4.925 4.527 0.053 0.000 0.371 11 F C 0.286 175.873 175.800 -0.355 0.000 1.083 11 F CA -0.612 56.935 58.000 -0.756 0.000 1.113 11 F CB 0.602 39.010 39.000 -0.987 0.000 1.349 11 F HN -0.171 nan 8.300 nan 0.000 0.470 12 K N 5.280 125.633 120.400 -0.078 0.000 2.253 12 K HA 0.322 4.674 4.320 0.053 0.000 0.277 12 K C 0.317 177.055 176.600 0.230 0.000 1.053 12 K CA -0.822 55.509 56.287 0.073 0.000 0.892 12 K CB 0.708 33.206 32.500 -0.003 0.000 1.102 12 K HN 0.654 nan 8.250 nan 0.000 0.469 13 R N 3.992 124.622 120.500 0.215 0.000 2.644 13 R HA -0.106 4.266 4.340 0.053 0.000 0.265 13 R C -0.616 175.704 176.300 0.035 0.000 0.985 13 R CA 0.424 56.591 56.100 0.113 0.000 1.097 13 R CB -0.093 30.202 30.300 -0.008 0.000 0.931 13 R HN 0.674 nan 8.270 nan 0.000 0.419 14 K N 0.621 121.007 120.400 -0.023 0.000 3.100 14 K HA -0.322 4.030 4.320 0.053 0.000 0.261 14 K C 0.080 176.693 176.600 0.023 0.000 0.920 14 K CA 1.242 57.517 56.287 -0.020 0.000 0.683 14 K CB -0.898 31.561 32.500 -0.069 0.000 1.349 14 K HN 0.885 nan 8.250 nan 0.000 0.473 15 N N -0.920 117.821 118.700 0.068 0.000 2.626 15 N HA -0.038 4.733 4.740 0.053 0.000 0.339 15 N C -0.808 174.746 175.510 0.074 0.000 0.610 15 N CA 0.110 53.192 53.050 0.054 0.000 1.434 15 N CB 0.351 38.856 38.487 0.031 0.000 1.551 15 N HN 0.067 nan 8.380 nan 0.000 1.653 16 S N 1.046 116.813 115.700 0.112 0.000 2.537 16 S HA 0.217 4.719 4.470 0.053 0.000 0.286 16 S C 0.023 174.732 174.600 0.182 0.000 1.299 16 S CA 0.371 58.617 58.200 0.076 0.000 1.067 16 S CB 1.062 64.208 63.200 -0.090 0.000 0.864 16 S HN 0.265 nan 8.310 nan 0.000 0.494 17 T N 2.664 117.277 114.554 0.099 0.000 2.902 17 T HA 0.599 4.980 4.350 0.053 0.000 0.283 17 T C -0.176 174.610 174.700 0.143 0.000 1.009 17 T CA -0.572 61.606 62.100 0.129 0.000 1.051 17 T CB 0.856 69.771 68.868 0.079 0.000 0.999 17 T HN 0.547 nan 8.240 nan 0.000 0.474 18 V N 1.771 121.805 119.914 0.200 0.000 2.823 18 V HA 0.770 4.921 4.120 0.053 0.000 0.312 18 V C -2.796 173.444 176.094 0.243 0.000 1.072 18 V CA -2.970 59.454 62.300 0.207 0.000 0.937 18 V CB 1.971 33.941 31.823 0.244 0.000 1.013 18 V HN 0.624 nan 8.190 nan 0.000 0.430 19 P HA 0.192 nan 4.420 nan 0.000 0.260 19 P C -0.634 176.814 177.300 0.246 0.000 1.651 19 P CA 0.075 63.290 63.100 0.192 0.000 1.139 19 P CB -0.278 31.498 31.700 0.127 0.000 1.756 20 F N 2.842 122.886 119.950 0.156 0.000 2.543 20 F HA 0.095 4.653 4.527 0.052 0.000 0.375 20 F C 0.797 176.644 175.800 0.080 0.000 1.075 20 F CA -0.448 57.637 58.000 0.142 0.000 1.225 20 F CB 0.549 39.619 39.000 0.116 0.000 1.099 20 F HN 0.229 nan 8.300 nan 0.000 0.561 21 E N 5.175 124.988 120.200 -0.645 0.000 2.081 21 E HA 0.144 4.525 4.350 0.053 0.000 0.281 21 E C -0.549 175.605 176.600 -0.744 0.000 0.986 21 E CA -0.637 55.472 56.400 -0.486 0.000 0.796 21 E CB 0.585 30.124 29.700 -0.268 0.000 1.085 21 E HN 0.687 nan 8.360 nan 0.000 0.398 22 E N 2.609 122.557 120.200 -0.420 0.000 2.408 22 E HA 0.107 4.489 4.350 0.053 0.000 0.259 22 E C 1.217 177.718 176.600 -0.164 0.000 1.110 22 E CA 1.016 57.276 56.400 -0.234 0.000 0.929 22 E CB 0.865 30.556 29.700 -0.014 0.000 0.971 22 E HN 0.722 nan 8.360 nan 0.000 0.438 23 S N 2.451 118.104 115.700 -0.078 0.000 2.440 23 S HA -0.222 4.280 4.470 0.053 0.000 0.240 23 S C 1.212 175.787 174.600 -0.041 0.000 1.014 23 S CA 1.810 59.980 58.200 -0.049 0.000 0.980 23 S CB -0.677 62.517 63.200 -0.009 0.000 0.775 23 S HN 0.577 nan 8.310 nan 0.000 0.499 24 N N -0.555 118.124 118.700 -0.035 0.000 2.268 24 N HA 0.344 5.116 4.740 0.053 0.000 0.204 24 N C 1.047 176.540 175.510 -0.029 0.000 1.124 24 N CA 0.754 53.790 53.050 -0.024 0.000 0.838 24 N CB -0.053 38.427 38.487 -0.012 0.000 0.994 24 N HN 0.582 nan 8.380 nan 0.000 0.489 25 G N -0.761 108.011 108.800 -0.048 0.000 2.284 25 G HA2 -0.302 3.690 3.960 0.053 0.000 0.230 25 G HA3 -0.302 3.690 3.960 0.053 0.000 0.230 25 G C 0.241 175.117 174.900 -0.039 0.000 1.021 25 G CA 0.332 45.406 45.100 -0.043 0.000 0.619 25 G HN 0.697 nan 8.290 nan 0.000 0.510 26 T N 1.126 115.662 114.554 -0.029 0.000 2.940 26 T HA 0.433 4.815 4.350 0.053 0.000 0.309 26 T C 0.359 175.048 174.700 -0.018 0.000 1.056 26 T CA 0.717 62.811 62.100 -0.011 0.000 1.137 26 T CB 0.331 69.202 68.868 0.005 0.000 0.976 26 T HN 1.518 nan 8.240 nan 0.000 0.547 27 I N 1.849 122.424 120.570 0.008 0.000 2.406 27 I HA 0.834 5.036 4.170 0.053 0.000 0.290 27 I C -0.264 175.898 176.117 0.074 0.000 0.999 27 I CA -0.784 60.531 61.300 0.026 0.000 1.124 27 I CB 1.332 39.347 38.000 0.025 0.000 1.289 27 I HN 0.794 nan 8.210 nan 0.000 0.441 28 R N 4.180 124.760 120.500 0.134 0.000 2.670 28 R HA 0.684 5.056 4.340 0.053 0.000 0.289 28 R C -0.661 175.750 176.300 0.185 0.000 0.965 28 R CA -0.761 55.429 56.100 0.149 0.000 0.899 28 R CB 0.911 31.308 30.300 0.162 0.000 1.173 28 R HN 0.737 nan 8.270 nan 0.000 0.456 29 E N 2.162 122.443 120.200 0.135 0.000 2.166 29 E HA 0.128 4.510 4.350 0.053 0.000 0.279 29 E C -0.644 176.040 176.600 0.139 0.000 1.095 29 E CA -0.127 56.355 56.400 0.137 0.000 0.888 29 E CB 0.952 30.707 29.700 0.092 0.000 1.041 29 E HN 0.462 nan 8.360 nan 0.000 0.414 30 R N 2.109 122.722 120.500 0.188 0.000 2.445 30 R HA 0.482 4.854 4.340 0.053 0.000 0.308 30 R C -0.175 176.226 176.300 0.167 0.000 0.961 30 R CA -0.520 55.674 56.100 0.156 0.000 0.862 30 R CB 1.101 31.490 30.300 0.150 0.000 1.144 30 R HN 0.370 nan 8.270 nan 0.000 0.447 31 V N 3.530 123.511 119.914 0.111 0.000 2.963 31 V HA 0.335 4.487 4.120 0.053 0.000 0.306 31 V C -0.209 175.936 176.094 0.085 0.000 1.077 31 V CA 0.070 62.427 62.300 0.095 0.000 1.124 31 V CB 1.330 33.189 31.823 0.060 0.000 0.987 31 V HN 0.530 nan 8.190 nan 0.000 0.487 32 V N 4.217 124.133 119.914 0.003 0.000 2.531 32 V HA 0.313 4.464 4.120 0.053 0.000 0.301 32 V C 0.991 176.965 176.094 -0.199 0.000 1.034 32 V CA -0.304 61.871 62.300 -0.208 0.000 0.865 32 V CB 1.057 32.468 31.823 -0.687 0.000 0.995 32 V HN 1.109 nan 8.190 nan 0.000 0.424 33 H N 2.998 121.943 119.070 -0.209 0.000 2.267 33 H HA -0.018 4.570 4.556 0.053 0.000 0.297 33 H C 0.441 175.667 175.328 -0.170 0.000 1.080 33 H CA 1.904 57.866 56.048 -0.144 0.000 1.278 33 H CB 0.579 30.278 29.762 -0.105 0.000 1.365 33 H HN 0.587 nan 8.280 nan 0.000 0.489 34 S N -0.937 114.712 115.700 -0.084 0.000 2.549 34 S HA 0.436 4.937 4.470 0.053 0.000 0.280 34 S C -1.404 172.983 174.600 -0.356 0.000 1.109 34 S CA -0.641 57.510 58.200 -0.082 0.000 0.905 34 S CB 1.933 65.219 63.200 0.145 0.000 1.081 34 S HN 0.209 nan 8.310 nan 0.000 0.477 35 F N 2.000 121.927 119.950 -0.038 0.000 2.449 35 F HA 0.578 5.137 4.527 0.053 0.000 0.342 35 F C 0.808 176.496 175.800 -0.186 0.000 1.127 35 F CA -0.543 57.373 58.000 -0.139 0.000 0.975 35 F CB 1.281 40.218 39.000 -0.105 0.000 1.146 35 F HN 0.219 nan 8.300 nan 0.000 0.444 36 R N 2.765 123.181 120.500 -0.140 0.000 2.888 36 R HA 0.592 4.964 4.340 0.053 0.000 0.264 36 R C -0.777 175.366 176.300 -0.262 0.000 1.045 36 R CA -1.069 54.878 56.100 -0.255 0.000 0.962 36 R CB 1.993 32.023 30.300 -0.451 0.000 1.210 36 R HN 0.558 nan 8.270 nan 0.000 0.479 37 I N -0.299 120.087 120.570 -0.306 0.000 6.835 37 I HA -0.150 4.052 4.170 0.053 0.000 0.126 37 I C -2.329 173.734 176.117 -0.089 0.000 1.824 37 I CA -0.139 61.025 61.300 -0.226 0.000 2.065 37 I CB -2.437 35.399 38.000 -0.273 0.000 3.539 37 I HN 0.464 nan 8.210 nan 0.000 0.178 38 P HA 0.482 nan 4.420 nan 0.000 0.277 38 P C -0.112 177.210 177.300 0.036 0.000 1.240 38 P CA 0.201 63.262 63.100 -0.065 0.000 0.798 38 P CB 1.665 33.335 31.700 -0.051 0.000 0.979 39 T N 2.164 116.737 114.554 0.032 0.000 3.032 39 T HA 0.488 4.869 4.350 0.053 0.000 0.312 39 T C -0.687 174.085 174.700 0.120 0.000 1.078 39 T CA -0.310 61.852 62.100 0.103 0.000 1.028 39 T CB 0.902 69.841 68.868 0.118 0.000 1.091 39 T HN 0.368 nan 8.240 nan 0.000 0.457 40 I N 4.497 125.165 120.570 0.163 0.000 2.418 40 I HA 0.738 4.939 4.170 0.053 0.000 0.287 40 I C -0.505 175.731 176.117 0.198 0.000 1.008 40 I CA -0.729 60.686 61.300 0.192 0.000 1.104 40 I CB 0.709 38.847 38.000 0.231 0.000 1.264 40 I HN 0.542 nan 8.210 nan 0.000 0.438 41 V N 3.445 123.472 119.914 0.188 0.000 3.164 41 V HA 0.690 4.842 4.120 0.053 0.000 0.313 41 V C -0.979 175.201 176.094 0.143 0.000 1.188 41 V CA -0.835 61.567 62.300 0.171 0.000 1.058 41 V CB 1.874 33.797 31.823 0.167 0.000 1.110 41 V HN 0.789 nan 8.190 nan 0.000 0.453 42 N N 0.208 118.980 118.700 0.120 0.000 2.442 42 N HA 0.551 5.322 4.740 0.053 0.000 0.274 42 N C -1.387 174.162 175.510 0.065 0.000 1.002 42 N CA -0.410 52.689 53.050 0.082 0.000 0.910 42 N CB 1.647 40.181 38.487 0.078 0.000 1.244 42 N HN 0.687 nan 8.380 nan 0.000 0.492 43 V N 3.709 123.647 119.914 0.040 0.000 2.313 43 V HA 0.285 4.437 4.120 0.053 0.000 0.278 43 V C 0.321 176.409 176.094 -0.010 0.000 1.017 43 V CA -0.710 61.599 62.300 0.015 0.000 0.823 43 V CB 0.894 32.712 31.823 -0.010 0.000 1.010 43 V HN 0.861 nan 8.190 nan 0.000 0.443 44 D N 4.324 124.722 120.400 -0.003 0.000 2.701 44 D HA -0.219 4.453 4.640 0.053 0.000 0.235 44 D C 1.272 177.559 176.300 -0.021 0.000 1.155 44 D CA 1.777 55.769 54.000 -0.015 0.000 0.649 44 D CB -0.933 39.847 40.800 -0.033 0.000 1.050 44 D HN 1.375 nan 8.370 nan 0.000 0.425 45 G N -2.121 106.670 108.800 -0.014 0.000 2.217 45 G HA2 -0.284 3.708 3.960 0.053 0.000 0.246 45 G HA3 -0.284 3.708 3.960 0.053 0.000 0.246 45 G C 0.313 175.190 174.900 -0.037 0.000 0.990 45 G CA 0.276 45.362 45.100 -0.023 0.000 0.627 45 G HN 0.736 nan 8.290 nan 0.000 0.522 46 V N 2.520 122.414 119.914 -0.033 0.000 2.398 46 V HA 0.587 4.739 4.120 0.053 0.000 0.286 46 V C 0.852 176.941 176.094 -0.008 0.000 1.026 46 V CA -0.482 61.797 62.300 -0.035 0.000 0.868 46 V CB 1.586 33.387 31.823 -0.036 0.000 0.982 46 V HN 0.356 nan 8.190 nan 0.000 0.443 47 M N 4.768 124.339 119.600 -0.049 0.000 2.219 47 M HA 0.341 4.852 4.480 0.053 0.000 0.353 47 M C -0.824 175.579 176.300 0.172 0.000 1.304 47 M CA 0.117 55.425 55.300 0.013 0.000 1.115 47 M CB 1.027 33.555 32.600 -0.119 0.000 1.664 47 M HN 0.420 nan 8.290 nan 0.000 0.459 48 V N 3.095 123.147 119.914 0.229 0.000 2.443 48 V HA 0.637 4.789 4.120 0.053 0.000 0.293 48 V C -0.322 175.946 176.094 0.291 0.000 1.021 48 V CA -0.917 61.567 62.300 0.307 0.000 0.848 48 V CB 1.440 33.414 31.823 0.250 0.000 0.998 48 V HN 0.908 nan 8.190 nan 0.000 0.424 49 A N 3.367 126.379 122.820 0.320 0.000 2.273 49 A HA 0.812 5.164 4.320 0.053 0.000 0.315 49 A C 0.070 177.776 177.584 0.203 0.000 1.256 49 A CA -0.367 51.804 52.037 0.223 0.000 0.851 49 A CB 0.829 19.930 19.000 0.168 0.000 1.172 49 A HN 0.697 nan 8.150 nan 0.000 0.508 50 T N 1.509 116.117 114.554 0.089 0.000 2.855 50 T HA 0.800 5.182 4.350 0.053 0.000 0.281 50 T C -0.100 174.527 174.700 -0.122 0.000 1.007 50 T CA 0.240 62.356 62.100 0.027 0.000 1.009 50 T CB 1.610 70.511 68.868 0.056 0.000 0.983 50 T HN 1.506 nan 8.240 nan 0.000 0.455 51 A N 2.008 124.733 122.820 -0.158 0.000 2.601 51 A HA 0.626 4.977 4.320 0.053 0.000 0.291 51 A C -1.710 175.786 177.584 -0.145 0.000 1.075 51 A CA -0.921 50.974 52.037 -0.237 0.000 0.671 51 A CB 0.996 19.666 19.000 -0.549 0.000 1.277 51 A HN 0.638 nan 8.150 nan 0.000 0.417 52 D N 1.493 121.796 120.400 -0.161 0.000 2.383 52 D HA 0.476 5.147 4.640 0.053 0.000 0.252 52 D C 0.315 176.516 176.300 -0.166 0.000 1.166 52 D CA 0.978 54.877 54.000 -0.167 0.000 0.879 52 D CB 1.315 41.988 40.800 -0.212 0.000 1.164 52 D HN 0.782 nan 8.370 nan 0.000 0.462 53 A N 4.417 127.103 122.820 -0.224 0.000 2.391 53 A HA 0.281 4.633 4.320 0.053 0.000 0.316 53 A C 0.220 177.461 177.584 -0.572 0.000 1.381 53 A CA -0.626 51.115 52.037 -0.494 0.000 0.998 53 A CB 0.121 18.790 19.000 -0.551 0.000 1.147 53 A HN 0.423 nan 8.150 nan 0.000 0.545 54 R N 3.038 123.244 120.500 -0.489 0.000 2.296 54 R HA 0.209 4.581 4.340 0.053 0.000 0.327 54 R C -0.394 175.778 176.300 -0.214 0.000 1.137 54 R CA -0.114 55.823 56.100 -0.271 0.000 1.020 54 R CB 0.165 30.333 30.300 -0.219 0.000 1.110 54 R HN 0.840 nan 8.270 nan 0.000 0.499 55 Y N 1.065 121.311 120.300 -0.089 0.000 2.181 55 Y HA -0.231 4.350 4.550 0.052 0.000 0.288 55 Y C 1.936 177.812 175.900 -0.039 0.000 1.146 55 Y CA 1.338 59.405 58.100 -0.054 0.000 1.164 55 Y CB 0.334 38.828 38.460 0.056 0.000 0.982 55 Y HN 0.439 nan 8.280 nan 0.000 0.515 56 E N -1.523 118.743 120.200 0.111 0.000 2.330 56 E HA 0.119 4.500 4.350 0.053 0.000 0.200 56 E C 0.636 177.082 176.600 -0.257 0.000 0.922 56 E CA 0.693 57.087 56.400 -0.010 0.000 0.935 56 E CB 0.607 30.303 29.700 -0.007 0.000 0.917 56 E HN 0.226 nan 8.360 nan 0.000 0.491 57 T N -1.111 113.214 114.554 -0.381 0.000 2.769 57 T HA 0.180 4.562 4.350 0.053 0.000 0.306 57 T C 0.284 174.663 174.700 -0.535 0.000 1.400 57 T CA 0.090 61.709 62.100 -0.802 0.000 1.007 57 T CB 1.236 69.876 68.868 -0.380 0.000 1.392 57 T HN -0.071 nan 8.240 nan 0.000 0.500 58 S N 0.908 116.279 115.700 -0.548 0.000 2.562 58 S HA 0.261 4.763 4.470 0.053 0.000 0.221 58 S C 0.445 174.835 174.600 -0.351 0.000 0.975 58 S CA -0.253 57.759 58.200 -0.313 0.000 0.918 58 S CB -0.650 62.481 63.200 -0.114 0.000 0.772 58 S HN 0.475 nan 8.310 nan 0.000 0.531 59 F N 3.170 123.023 119.950 -0.161 0.000 2.506 59 F HA 0.260 4.819 4.527 0.053 0.000 0.351 59 F C 1.389 177.094 175.800 -0.157 0.000 1.136 59 F CA -1.103 56.805 58.000 -0.154 0.000 1.298 59 F CB 0.055 38.977 39.000 -0.130 0.000 1.145 59 F HN -0.005 nan 8.300 nan 0.000 0.593 60 D N 0.370 120.827 120.400 0.094 0.000 2.149 60 D HA -0.175 4.496 4.640 0.053 0.000 0.198 60 D C 0.756 177.026 176.300 -0.049 0.000 0.990 60 D CA 1.450 55.427 54.000 -0.038 0.000 0.839 60 D CB -0.105 40.658 40.800 -0.062 0.000 0.948 60 D HN 0.368 nan 8.370 nan 0.000 0.460 61 N N 0.529 119.219 118.700 -0.016 0.000 2.920 61 N HA 0.097 4.869 4.740 0.053 0.000 0.310 61 N C -0.529 174.993 175.510 0.020 0.000 1.384 61 N CA -0.024 53.006 53.050 -0.033 0.000 1.083 61 N CB 0.558 39.010 38.487 -0.059 0.000 1.389 61 N HN 0.123 nan 8.380 nan 0.000 0.521 62 S N -0.801 114.925 115.700 0.043 0.000 2.851 62 S HA 0.450 4.951 4.470 0.053 0.000 0.313 62 S C -0.566 174.112 174.600 0.130 0.000 1.163 62 S CA -0.783 57.470 58.200 0.089 0.000 0.850 62 S CB 1.184 64.432 63.200 0.081 0.000 1.245 62 S HN 0.082 nan 8.310 nan 0.000 0.558 63 F N 1.440 121.402 119.950 0.021 0.000 2.494 63 F HA 0.582 5.141 4.527 0.053 0.000 0.369 63 F C -0.552 175.333 175.800 0.141 0.000 1.098 63 F CA -0.533 57.501 58.000 0.055 0.000 1.154 63 F CB -0.499 38.502 39.000 0.002 0.000 1.103 63 F HN 0.376 nan 8.300 nan 0.000 0.549 64 I N 5.363 125.798 120.570 -0.224 0.000 2.647 64 I HA 0.387 4.589 4.170 0.053 0.000 0.295 64 I C -0.813 175.202 176.117 -0.170 0.000 1.078 64 I CA -0.723 60.497 61.300 -0.134 0.000 1.048 64 I CB 2.348 40.281 38.000 -0.112 0.000 1.239 64 I HN 0.460 nan 8.210 nan 0.000 0.421 65 E N 2.185 122.343 120.200 -0.070 0.000 2.392 65 E HA 0.456 4.838 4.350 0.053 0.000 0.269 65 E C -1.266 175.277 176.600 -0.095 0.000 0.924 65 E CA -0.936 55.437 56.400 -0.046 0.000 0.784 65 E CB 2.378 32.157 29.700 0.132 0.000 1.292 65 E HN 0.419 nan 8.360 nan 0.000 0.447 66 T N 1.385 115.874 114.554 -0.109 0.000 2.723 66 T HA 0.428 4.810 4.350 0.053 0.000 0.297 66 T C -0.219 174.415 174.700 -0.110 0.000 0.925 66 T CA -0.444 61.575 62.100 -0.136 0.000 1.030 66 T CB 0.620 69.368 68.868 -0.199 0.000 0.905 66 T HN 0.468 nan 8.240 nan 0.000 0.502 67 A N 3.321 126.122 122.820 -0.033 0.000 2.279 67 A HA 0.829 5.180 4.320 0.053 0.000 0.303 67 A C 0.074 177.703 177.584 0.075 0.000 1.108 67 A CA -0.714 51.362 52.037 0.065 0.000 0.830 67 A CB 0.622 19.767 19.000 0.242 0.000 1.106 67 A HN 0.894 nan 8.150 nan 0.000 0.493 68 V N -1.196 118.799 119.914 0.135 0.000 2.841 68 V HA 0.736 4.888 4.120 0.053 0.000 0.310 68 V C -0.827 175.414 176.094 0.245 0.000 1.090 68 V CA -0.971 61.465 62.300 0.225 0.000 0.930 68 V CB 1.512 33.507 31.823 0.286 0.000 1.014 68 V HN 0.839 nan 8.190 nan 0.000 0.425 69 K N 3.254 123.802 120.400 0.248 0.000 2.324 69 K HA 0.741 5.093 4.320 0.053 0.000 0.253 69 K C -1.587 175.259 176.600 0.411 0.000 0.932 69 K CA -0.634 55.716 56.287 0.104 0.000 0.799 69 K CB 2.407 34.679 32.500 -0.380 0.000 1.154 69 K HN 0.919 nan 8.250 nan 0.000 0.425 70 Y N -1.666 118.858 120.300 0.373 0.000 2.605 70 Y HA 0.757 5.338 4.550 0.053 0.000 0.343 70 Y C -0.609 175.315 175.900 0.040 0.000 1.036 70 Y CA -1.164 57.105 58.100 0.281 0.000 1.065 70 Y CB 2.064 40.611 38.460 0.144 0.000 1.288 70 Y HN 0.437 nan 8.280 nan 0.000 0.481 71 S N 0.658 116.273 115.700 -0.143 0.000 2.546 71 S HA 0.456 4.957 4.470 0.053 0.000 0.272 71 S C -0.404 174.013 174.600 -0.305 0.000 1.140 71 S CA -0.188 57.673 58.200 -0.564 0.000 0.920 71 S CB 1.431 63.669 63.200 -1.603 0.000 1.083 71 S HN 1.468 nan 8.310 nan 0.000 0.476 72 V N 0.582 120.363 119.914 -0.222 0.000 3.621 72 V HA 0.429 4.581 4.120 0.053 0.000 0.285 72 V C 0.201 176.194 176.094 -0.168 0.000 1.346 72 V CA 0.725 62.944 62.300 -0.136 0.000 1.104 72 V CB -0.370 31.413 31.823 -0.066 0.000 0.913 72 V HN 0.816 nan 8.190 nan 0.000 0.432 73 D N -1.338 118.906 120.400 -0.259 0.000 2.804 73 D HA 0.178 4.850 4.640 0.053 0.000 0.308 73 D C 0.135 176.309 176.300 -0.209 0.000 1.371 73 D CA -0.351 53.529 54.000 -0.200 0.000 0.823 73 D CB -0.494 40.203 40.800 -0.172 0.000 1.126 73 D HN 0.202 nan 8.370 nan 0.000 0.467 74 D N 0.272 120.529 120.400 -0.237 0.000 2.911 74 D HA -0.166 4.505 4.640 0.053 0.000 0.227 74 D C 1.241 177.465 176.300 -0.126 0.000 1.164 74 D CA 1.632 55.540 54.000 -0.153 0.000 0.782 74 D CB -1.301 39.515 40.800 0.028 0.000 1.094 74 D HN 0.763 nan 8.370 nan 0.000 0.425 75 G N -1.279 107.235 108.800 -0.476 0.000 2.159 75 G HA2 -0.222 3.770 3.960 0.053 0.000 0.227 75 G HA3 -0.222 3.770 3.960 0.053 0.000 0.227 75 G C 1.010 175.802 174.900 -0.179 0.000 0.986 75 G CA 0.675 45.507 45.100 -0.446 0.000 0.651 75 G HN 0.940 nan 8.290 nan 0.000 0.523 76 A N -0.931 121.769 122.820 -0.199 0.000 2.206 76 A HA 0.590 4.941 4.320 0.053 0.000 0.211 76 A C 1.094 178.588 177.584 -0.149 0.000 1.158 76 A CA 2.057 54.039 52.037 -0.091 0.000 0.761 76 A CB 0.236 19.196 19.000 -0.066 0.000 0.801 76 A HN 1.099 nan 8.150 nan 0.000 0.473 77 T N -1.773 112.555 114.554 -0.376 0.000 3.225 77 T HA 0.445 4.827 4.350 0.053 0.000 0.356 77 T C -2.211 172.149 174.700 -0.566 0.000 1.460 77 T CA -0.417 61.508 62.100 -0.292 0.000 1.126 77 T CB 0.613 69.359 68.868 -0.203 0.000 1.321 77 T HN 0.334 nan 8.240 nan 0.000 0.478 78 W N 2.261 123.412 121.300 -0.250 0.000 3.022 78 W HA 0.634 5.326 4.660 0.053 0.000 0.335 78 W C -0.249 176.036 176.519 -0.390 0.000 1.133 78 W CA -0.691 56.445 57.345 -0.348 0.000 1.219 78 W CB 1.291 30.522 29.460 -0.382 0.000 1.409 78 W HN 0.390 nan 8.180 nan 0.000 0.507 79 N N 0.745 119.221 118.700 -0.374 0.000 2.443 79 N HA 0.641 5.413 4.740 0.053 0.000 0.293 79 N C -0.914 174.408 175.510 -0.313 0.000 1.159 79 N CA -0.471 52.331 53.050 -0.412 0.000 0.904 79 N CB 1.790 39.878 38.487 -0.665 0.000 1.214 79 N HN 0.176 nan 8.380 nan 0.000 0.513 80 T N 1.233 115.707 114.554 -0.134 0.000 2.841 80 T HA 0.557 4.938 4.350 0.053 0.000 0.283 80 T C -0.469 174.278 174.700 0.078 0.000 1.000 80 T CA -0.626 61.449 62.100 -0.042 0.000 0.977 80 T CB 1.545 70.362 68.868 -0.085 0.000 0.979 80 T HN 0.334 nan 8.240 nan 0.000 0.446 81 Q N 1.275 121.162 119.800 0.146 0.000 2.553 81 Q HA 0.583 4.955 4.340 0.053 0.000 0.293 81 Q C -1.301 174.770 176.000 0.117 0.000 1.038 81 Q CA -1.132 54.775 55.803 0.174 0.000 0.777 81 Q CB 2.062 30.975 28.738 0.292 0.000 1.487 81 Q HN 0.366 nan 8.270 nan 0.000 0.426 82 I N 1.631 122.250 120.570 0.082 0.000 2.330 82 I HA 0.265 4.467 4.170 0.053 0.000 0.286 82 I C 0.426 176.465 176.117 -0.131 0.000 1.025 82 I CA 0.020 61.330 61.300 0.017 0.000 1.197 82 I CB 0.689 38.742 38.000 0.087 0.000 1.358 82 I HN 0.920 nan 8.210 nan 0.000 0.467 83 A N 7.616 130.215 122.820 -0.369 0.000 2.021 83 A HA 0.276 4.628 4.320 0.053 0.000 0.216 83 A C 0.849 178.088 177.584 -0.575 0.000 1.163 83 A CA 0.935 52.427 52.037 -0.907 0.000 0.676 83 A CB 0.148 18.152 19.000 -1.660 0.000 0.818 83 A HN 0.591 nan 8.150 nan 0.000 0.453 84 I N -0.152 120.217 120.570 -0.334 0.000 2.548 84 I HA 0.249 4.451 4.170 0.053 0.000 0.287 84 I C -0.998 175.040 176.117 -0.132 0.000 1.103 84 I CA -0.641 60.533 61.300 -0.210 0.000 1.049 84 I CB 2.220 40.093 38.000 -0.213 0.000 1.232 84 I HN -0.054 nan 8.210 nan 0.000 0.429 85 K N 4.904 125.245 120.400 -0.097 0.000 2.118 85 K HA 0.352 4.703 4.320 0.053 0.000 0.264 85 K C -0.016 176.529 176.600 -0.093 0.000 1.000 85 K CA -0.590 55.654 56.287 -0.073 0.000 0.929 85 K CB 0.930 33.388 32.500 -0.070 0.000 1.021 85 K HN 0.672 nan 8.250 nan 0.000 0.463 86 N N -0.914 117.720 118.700 -0.109 0.000 2.448 86 N HA 0.012 4.784 4.740 0.053 0.000 0.274 86 N C 0.589 176.061 175.510 -0.063 0.000 1.239 86 N CA -0.408 52.569 53.050 -0.122 0.000 0.982 86 N CB 1.057 39.420 38.487 -0.206 0.000 1.199 86 N HN 0.529 nan 8.380 nan 0.000 0.576 87 S N -0.512 115.162 115.700 -0.044 0.000 2.474 87 S HA -0.092 4.410 4.470 0.053 0.000 0.235 87 S C 0.562 175.185 174.600 0.038 0.000 0.997 87 S CA 0.035 58.227 58.200 -0.014 0.000 0.949 87 S CB -0.405 62.784 63.200 -0.019 0.000 0.766 87 S HN 0.673 nan 8.310 nan 0.000 0.517 88 R N -0.506 120.055 120.500 0.102 0.000 3.875 88 R HA -0.173 4.198 4.340 0.053 0.000 0.321 88 R C 1.033 177.409 176.300 0.127 0.000 1.196 88 R CA 0.876 57.089 56.100 0.188 0.000 0.868 88 R CB -2.750 27.636 30.300 0.144 0.000 1.333 88 R HN 0.680 nan 8.270 nan 0.000 0.522 89 A N -0.009 122.871 122.820 0.100 0.000 1.970 89 A HA 0.098 4.450 4.320 0.053 0.000 0.216 89 A C 1.147 178.774 177.584 0.072 0.000 1.170 89 A CA 1.547 53.625 52.037 0.067 0.000 0.645 89 A CB 0.173 19.202 19.000 0.048 0.000 0.816 89 A HN 0.656 nan 8.150 nan 0.000 0.447 90 S N -2.437 113.326 115.700 0.104 0.000 2.776 90 S HA 0.372 4.874 4.470 0.053 0.000 0.292 90 S C 0.753 175.428 174.600 0.125 0.000 1.187 90 S CA 0.466 58.716 58.200 0.083 0.000 0.834 90 S CB 0.660 63.899 63.200 0.066 0.000 1.199 90 S HN 0.773 nan 8.310 nan 0.000 0.514 91 S N -0.179 115.561 115.700 0.067 0.000 2.555 91 S HA -0.007 4.495 4.470 0.053 0.000 0.230 91 S C 1.314 176.021 174.600 0.178 0.000 0.978 91 S CA 0.762 58.991 58.200 0.048 0.000 0.934 91 S CB -0.910 62.272 63.200 -0.030 0.000 0.766 91 S HN 1.648 nan 8.310 nan 0.000 0.533 92 V N -2.240 117.780 119.914 0.178 0.000 3.380 92 V HA 0.429 4.580 4.120 0.053 0.000 0.307 92 V C 0.217 176.413 176.094 0.169 0.000 1.434 92 V CA -0.646 61.756 62.300 0.170 0.000 1.075 92 V CB -0.474 31.402 31.823 0.088 0.000 0.954 92 V HN 0.261 nan 8.190 nan 0.000 0.444 93 S N 3.471 119.294 115.700 0.204 0.000 2.549 93 S HA 0.508 5.009 4.470 0.053 0.000 0.286 93 S C 0.212 174.813 174.600 0.003 0.000 1.314 93 S CA -0.095 58.178 58.200 0.121 0.000 1.062 93 S CB 0.156 63.429 63.200 0.122 0.000 0.865 93 S HN 0.913 nan 8.310 nan 0.000 0.498 94 R N -0.204 120.314 120.500 0.029 0.000 2.643 94 R HA 0.670 5.041 4.340 0.053 0.000 0.269 94 R C -1.636 174.667 176.300 0.006 0.000 1.037 94 R CA -1.079 55.005 56.100 -0.026 0.000 0.894 94 R CB 0.848 31.167 30.300 0.032 0.000 1.238 94 R HN 0.390 nan 8.270 nan 0.000 0.459 95 V N 0.344 120.215 119.914 -0.071 0.000 2.495 95 V HA 0.841 4.993 4.120 0.053 0.000 0.298 95 V C -0.071 175.974 176.094 -0.081 0.000 1.031 95 V CA -0.817 61.430 62.300 -0.089 0.000 0.871 95 V CB 1.301 33.043 31.823 -0.135 0.000 0.988 95 V HN 1.012 nan 8.190 nan 0.000 0.432 96 M N 1.510 121.069 119.600 -0.068 0.000 2.732 96 M HA 0.623 5.134 4.480 0.053 0.000 0.272 96 M C -1.486 174.758 176.300 -0.093 0.000 1.203 96 M CA -0.452 54.800 55.300 -0.079 0.000 0.841 96 M CB 2.315 34.885 32.600 -0.051 0.000 1.685 96 M HN 0.621 nan 8.290 nan 0.000 0.492 97 D N 0.241 120.574 120.400 -0.111 0.000 2.718 97 D HA -0.086 4.586 4.640 0.053 0.000 0.242 97 D C -0.081 176.175 176.300 -0.072 0.000 1.123 97 D CA 1.365 55.309 54.000 -0.093 0.000 0.690 97 D CB -1.299 39.436 40.800 -0.108 0.000 1.059 97 D HN 1.013 nan 8.370 nan 0.000 0.429 98 A N 0.584 123.366 122.820 -0.063 0.000 2.546 98 A HA 0.404 4.755 4.320 0.053 0.000 0.243 98 A C 0.831 178.429 177.584 0.023 0.000 1.063 98 A CA 0.638 52.653 52.037 -0.036 0.000 0.757 98 A CB 0.502 19.484 19.000 -0.030 0.000 0.991 98 A HN 0.166 nan 8.150 nan 0.000 0.503 99 T N 1.967 116.539 114.554 0.030 0.000 2.829 99 T HA 0.579 4.960 4.350 0.053 0.000 0.280 99 T C -0.614 174.255 174.700 0.282 0.000 0.999 99 T CA -0.398 61.782 62.100 0.134 0.000 0.983 99 T CB 1.444 70.347 68.868 0.058 0.000 0.968 99 T HN 0.528 nan 8.240 nan 0.000 0.446 100 V N 3.886 124.011 119.914 0.352 0.000 2.760 100 V HA 0.587 4.738 4.120 0.053 0.000 0.309 100 V C -0.744 175.541 176.094 0.319 0.000 1.077 100 V CA -0.822 61.688 62.300 0.349 0.000 0.910 100 V CB 1.945 33.915 31.823 0.245 0.000 1.008 100 V HN 0.808 nan 8.190 nan 0.000 0.424 101 I N 3.796 124.548 120.570 0.305 0.000 2.545 101 I HA 0.544 4.746 4.170 0.053 0.000 0.292 101 I C -0.808 175.466 176.117 0.260 0.000 1.040 101 I CA -0.989 60.423 61.300 0.187 0.000 1.068 101 I CB 2.370 40.367 38.000 -0.004 0.000 1.251 101 I HN 0.259 nan 8.210 nan 0.000 0.424 102 V N 6.117 126.146 119.914 0.191 0.000 2.398 102 V HA 0.415 4.566 4.120 0.053 0.000 0.286 102 V C -0.165 176.026 176.094 0.161 0.000 1.026 102 V CA -0.537 61.872 62.300 0.181 0.000 0.868 102 V CB 1.607 33.510 31.823 0.133 0.000 0.982 102 V HN 0.613 nan 8.190 nan 0.000 0.443 103 K N 3.539 124.061 120.400 0.202 0.000 2.578 103 K HA 0.593 4.945 4.320 0.053 0.000 0.250 103 K C 0.588 177.257 176.600 0.115 0.000 0.955 103 K CA 0.382 56.758 56.287 0.148 0.000 0.825 103 K CB 1.573 34.161 32.500 0.146 0.000 1.151 103 K HN 0.920 nan 8.250 nan 0.000 0.432 104 G N 3.629 112.467 108.800 0.064 0.000 2.591 104 G HA2 -0.394 3.598 3.960 0.053 0.000 0.298 104 G HA3 -0.394 3.598 3.960 0.053 0.000 0.298 104 G C 0.184 175.093 174.900 0.015 0.000 1.195 104 G CA 0.551 45.671 45.100 0.033 0.000 0.989 104 G HN 0.817 nan 8.290 nan 0.000 0.551 105 N N 1.563 120.256 118.700 -0.012 0.000 2.295 105 N HA 0.136 4.908 4.740 0.053 0.000 0.221 105 N C 0.203 175.661 175.510 -0.087 0.000 1.129 105 N CA 0.562 53.580 53.050 -0.053 0.000 0.836 105 N CB 0.199 38.643 38.487 -0.072 0.000 1.040 105 N HN 0.739 nan 8.380 nan 0.000 0.494 106 K N 0.512 120.884 120.400 -0.047 0.000 2.259 106 K HA 0.470 4.822 4.320 0.053 0.000 0.249 106 K C -0.925 175.626 176.600 -0.081 0.000 0.942 106 K CA -0.821 55.389 56.287 -0.129 0.000 0.816 106 K CB 2.143 34.542 32.500 -0.168 0.000 1.155 106 K HN -0.030 nan 8.250 nan 0.000 0.428 107 L N 2.520 123.634 121.223 -0.182 0.000 2.341 107 L HA 0.412 4.784 4.340 0.053 0.000 0.278 107 L C -1.104 175.718 176.870 -0.080 0.000 1.005 107 L CA -0.671 54.173 54.840 0.007 0.000 0.818 107 L CB 0.724 42.859 42.059 0.126 0.000 1.259 107 L HN 0.471 nan 8.230 nan 0.000 0.418 108 Y N 3.947 124.384 120.300 0.228 0.000 2.342 108 Y HA 0.572 5.153 4.550 0.052 0.000 0.338 108 Y C -0.016 176.095 175.900 0.352 0.000 0.965 108 Y CA -0.505 57.773 58.100 0.297 0.000 1.159 108 Y CB 1.182 39.828 38.460 0.310 0.000 1.157 108 Y HN 0.361 nan 8.280 nan 0.000 0.486 109 I N 5.489 126.292 120.570 0.387 0.000 2.362 109 I HA 0.245 4.446 4.170 0.053 0.000 0.289 109 I C -1.066 175.122 176.117 0.119 0.000 0.994 109 I CA -0.925 60.525 61.300 0.251 0.000 1.158 109 I CB 1.653 39.732 38.000 0.133 0.000 1.315 109 I HN 0.384 nan 8.210 nan 0.000 0.451 110 L N 9.528 130.741 121.223 -0.017 0.000 2.296 110 L HA 0.707 5.079 4.340 0.053 0.000 0.286 110 L C -0.458 176.277 176.870 -0.225 0.000 1.023 110 L CA -0.278 54.410 54.840 -0.254 0.000 0.812 110 L CB 1.521 43.154 42.059 -0.710 0.000 1.223 110 L HN 0.424 nan 8.230 nan 0.000 0.421 111 V N 1.539 121.311 119.914 -0.237 0.000 3.040 111 V HA 0.962 5.114 4.120 0.053 0.000 0.312 111 V C 0.180 176.100 176.094 -0.290 0.000 1.115 111 V CA -0.377 61.792 62.300 -0.219 0.000 0.998 111 V CB 1.297 33.014 31.823 -0.178 0.000 1.042 111 V HN 0.911 nan 8.190 nan 0.000 0.433 112 G N 0.481 109.139 108.800 -0.237 0.000 2.356 112 G HA2 0.528 4.520 3.960 0.053 0.000 0.298 112 G HA3 0.528 4.520 3.960 0.053 0.000 0.298 112 G C -0.432 174.226 174.900 -0.403 0.000 1.145 112 G CA -0.135 44.783 45.100 -0.302 0.000 0.850 112 G HN 1.090 nan 8.290 nan 0.000 0.487 113 S N 0.906 116.136 115.700 -0.784 0.000 2.502 113 S HA 0.795 5.296 4.470 0.053 0.000 0.304 113 S C -1.171 172.914 174.600 -0.859 0.000 1.097 113 S CA -0.671 57.166 58.200 -0.604 0.000 1.045 113 S CB 0.373 63.301 63.200 -0.452 0.000 1.019 113 S HN 0.351 nan 8.310 nan 0.000 0.481 114 F N 3.375 123.307 119.950 -0.031 0.000 2.565 114 F HA 0.530 5.090 4.527 0.054 0.000 0.313 114 F C 0.982 176.786 175.800 0.007 0.000 1.091 114 F CA -0.933 57.089 58.000 0.036 0.000 0.915 114 F CB 1.861 40.919 39.000 0.097 0.000 1.208 114 F HN 0.435 nan 8.300 nan 0.000 0.453 115 N N 1.131 119.940 118.700 0.182 0.000 2.420 115 N HA 0.024 4.796 4.740 0.053 0.000 0.185 115 N C 0.942 176.516 175.510 0.108 0.000 1.033 115 N CA 0.960 54.072 53.050 0.104 0.000 0.879 115 N CB 0.132 38.652 38.487 0.055 0.000 1.071 115 N HN 0.720 nan 8.380 nan 0.000 0.437 116 K N -0.647 119.812 120.400 0.098 0.000 2.603 116 K HA 0.141 4.493 4.320 0.053 0.000 0.202 116 K C -0.278 176.340 176.600 0.030 0.000 1.279 116 K CA -0.220 56.104 56.287 0.062 0.000 1.056 116 K CB -0.027 32.498 32.500 0.040 0.000 1.062 116 K HN -0.015 nan 8.250 nan 0.000 0.606 117 T N -0.226 114.338 114.554 0.017 0.000 2.860 117 T HA 0.291 4.673 4.350 0.053 0.000 0.299 117 T C 0.686 175.381 174.700 -0.008 0.000 1.045 117 T CA -0.639 61.433 62.100 -0.048 0.000 1.071 117 T CB 1.582 70.320 68.868 -0.217 0.000 0.985 117 T HN 0.232 nan 8.240 nan 0.000 0.537 118 R N 0.666 121.159 120.500 -0.012 0.000 2.509 118 R HA 0.170 4.542 4.340 0.053 0.000 0.297 118 R C 0.151 176.437 176.300 -0.024 0.000 0.951 118 R CA -0.384 55.704 56.100 -0.021 0.000 1.103 118 R CB 0.177 30.459 30.300 -0.032 0.000 1.283 118 R HN 0.780 nan 8.270 nan 0.000 0.534 119 N N 0.471 119.189 118.700 0.031 0.000 2.518 119 N HA 0.077 4.849 4.740 0.053 0.000 0.284 119 N C -0.301 175.262 175.510 0.088 0.000 1.230 119 N CA -0.623 52.450 53.050 0.037 0.000 0.941 119 N CB 0.716 39.230 38.487 0.046 0.000 1.219 119 N HN -0.130 nan 8.380 nan 0.000 0.560 120 S N -0.227 115.462 115.700 -0.017 0.000 2.580 120 S HA 0.092 4.594 4.470 0.053 0.000 0.274 120 S C 1.429 175.826 174.600 -0.338 0.000 1.329 120 S CA -0.846 57.302 58.200 -0.087 0.000 1.036 120 S CB 0.047 63.219 63.200 -0.047 0.000 0.919 120 S HN 0.735 nan 8.310 nan 0.000 0.515 121 W N 3.459 124.346 121.300 -0.689 0.000 2.305 121 W HA -0.220 4.467 4.660 0.044 0.000 0.308 121 W C 1.456 177.583 176.519 -0.654 0.000 1.226 121 W CA 2.544 59.308 57.345 -0.969 0.000 1.253 121 W CB -2.396 26.810 29.460 -0.424 0.000 1.146 121 W HN 0.834 nan 8.180 nan 0.000 0.507 122 T N -1.131 112.791 114.554 -1.054 0.000 3.007 122 T HA -0.017 4.365 4.350 0.053 0.000 0.270 122 T C 2.088 176.525 174.700 -0.438 0.000 1.107 122 T CA 2.415 63.997 62.100 -0.864 0.000 1.118 122 T CB -0.830 67.597 68.868 -0.736 0.000 0.889 122 T HN 0.419 nan 8.240 nan 0.000 0.506 123 Q N 0.406 120.004 119.800 -0.337 0.000 2.360 123 Q HA 0.188 4.560 4.340 0.053 0.000 0.202 123 Q C 0.560 176.570 176.000 0.018 0.000 0.915 123 Q CA 0.019 55.742 55.803 -0.134 0.000 0.943 123 Q CB -0.696 27.998 28.738 -0.073 0.000 1.064 123 Q HN 0.781 nan 8.270 nan 0.000 0.511 124 H N -0.312 118.723 119.070 -0.057 0.000 2.790 124 H HA 0.420 5.006 4.556 0.049 0.000 0.358 124 H C 1.855 177.176 175.328 -0.012 0.000 1.103 124 H CA 0.453 56.499 56.048 -0.004 0.000 1.426 124 H CB 0.905 30.702 29.762 0.059 0.000 1.424 124 H HN 0.467 nan 8.280 nan 0.000 0.599 125 R N 2.261 122.839 120.500 0.129 0.000 2.081 125 R HA -0.074 4.297 4.340 0.053 0.000 0.235 125 R C 0.471 176.813 176.300 0.070 0.000 1.131 125 R CA 2.183 58.322 56.100 0.064 0.000 0.960 125 R CB -0.909 29.413 30.300 0.037 0.000 0.856 125 R HN 0.905 nan 8.270 nan 0.000 0.436 126 D N -5.683 114.778 120.400 0.103 0.000 2.895 126 D HA 0.407 5.079 4.640 0.053 0.000 0.320 126 D C 0.753 177.158 176.300 0.175 0.000 1.249 126 D CA 0.069 54.135 54.000 0.109 0.000 0.997 126 D CB 0.391 41.244 40.800 0.088 0.000 1.430 126 D HN 0.025 nan 8.370 nan 0.000 0.558 127 G N -1.184 107.735 108.800 0.199 0.000 3.284 127 G HA2 0.114 4.105 3.960 0.053 0.000 0.236 127 G HA3 0.114 4.105 3.960 0.053 0.000 0.236 127 G C 0.974 176.100 174.900 0.376 0.000 1.158 127 G CA 0.482 45.772 45.100 0.317 0.000 0.774 127 G HN 0.477 nan 8.290 nan 0.000 0.545 128 S N 0.107 115.944 115.700 0.227 0.000 2.442 128 S HA -0.148 4.353 4.470 0.053 0.000 0.236 128 S C 1.576 176.263 174.600 0.145 0.000 1.007 128 S CA 1.425 59.722 58.200 0.162 0.000 0.965 128 S CB -0.042 63.215 63.200 0.095 0.000 0.773 128 S HN 0.260 nan 8.310 nan 0.000 0.504 129 D N -0.170 120.334 120.400 0.174 0.000 2.340 129 D HA 0.144 4.816 4.640 0.053 0.000 0.220 129 D C -0.161 176.285 176.300 0.243 0.000 1.039 129 D CA -0.184 53.915 54.000 0.164 0.000 0.866 129 D CB 0.093 40.953 40.800 0.101 0.000 0.913 129 D HN 0.680 nan 8.370 nan 0.000 0.523 130 W N 0.811 122.121 121.300 0.016 0.000 2.689 130 W HA 0.565 5.236 4.660 0.018 0.000 0.340 130 W C -1.261 175.091 176.519 -0.279 0.000 1.060 130 W CA -0.643 56.576 57.345 -0.211 0.000 1.218 130 W CB 1.174 30.611 29.460 -0.039 0.000 1.410 130 W HN -0.317 nan 8.180 nan 0.000 0.528 131 E N 4.998 124.315 120.200 -1.473 0.000 2.321 131 E HA 0.265 4.647 4.350 0.053 0.000 0.278 131 E C -2.605 173.038 176.600 -1.594 0.000 0.902 131 E CA -2.209 53.226 56.400 -1.608 0.000 0.758 131 E CB 3.019 32.249 29.700 -0.784 0.000 1.213 131 E HN 0.088 nan 8.360 nan 0.000 0.426 132 P HA 0.264 nan 4.420 nan 0.000 0.295 132 P C -0.833 176.113 177.300 -0.590 0.000 1.354 132 P CA -0.252 62.287 63.100 -0.936 0.000 0.814 132 P CB 0.454 31.525 31.700 -1.049 0.000 0.935 133 L N 4.152 125.104 121.223 -0.452 0.000 2.309 133 L HA 0.500 4.872 4.340 0.053 0.000 0.282 133 L C 0.181 176.930 176.870 -0.202 0.000 1.036 133 L CA -1.133 53.533 54.840 -0.291 0.000 0.806 133 L CB 1.572 43.479 42.059 -0.253 0.000 1.220 133 L HN 0.229 nan 8.230 nan 0.000 0.429 134 L N 4.324 125.483 121.223 -0.106 0.000 2.296 134 L HA 0.659 5.030 4.340 0.053 0.000 0.286 134 L C -0.762 176.153 176.870 0.074 0.000 1.023 134 L CA -0.207 54.637 54.840 0.007 0.000 0.812 134 L CB 1.779 43.887 42.059 0.082 0.000 1.223 134 L HN 0.274 nan 8.230 nan 0.000 0.421 135 V N 5.543 125.528 119.914 0.119 0.000 2.638 135 V HA 0.537 4.689 4.120 0.053 0.000 0.306 135 V C -0.687 175.526 176.094 0.199 0.000 1.052 135 V CA -0.710 61.674 62.300 0.140 0.000 0.885 135 V CB 2.221 34.097 31.823 0.088 0.000 0.999 135 V HN 0.504 nan 8.190 nan 0.000 0.424 136 V N 3.577 123.579 119.914 0.146 0.000 2.398 136 V HA 0.801 4.953 4.120 0.053 0.000 0.286 136 V C 0.647 176.738 176.094 -0.005 0.000 1.026 136 V CA -0.198 62.087 62.300 -0.026 0.000 0.868 136 V CB 1.613 33.343 31.823 -0.155 0.000 0.982 136 V HN 0.972 nan 8.190 nan 0.000 0.443 137 G N 3.010 111.714 108.800 -0.161 0.000 2.432 137 G HA2 0.683 4.675 3.960 0.053 0.000 0.331 137 G HA3 0.683 4.675 3.960 0.053 0.000 0.331 137 G C -1.153 173.404 174.900 -0.573 0.000 1.170 137 G CA -0.425 44.269 45.100 -0.677 0.000 0.943 137 G HN 0.677 nan 8.290 nan 0.000 0.483 138 E N 1.026 120.879 120.200 -0.580 0.000 2.218 138 E HA 0.472 4.853 4.350 0.053 0.000 0.263 138 E C -1.018 175.348 176.600 -0.390 0.000 0.879 138 E CA -0.592 55.579 56.400 -0.382 0.000 0.762 138 E CB 2.058 31.600 29.700 -0.264 0.000 1.166 138 E HN 0.226 nan 8.360 nan 0.000 0.415 139 V N 3.759 123.488 119.914 -0.308 0.000 2.465 139 V HA 0.352 4.503 4.120 0.053 0.000 0.279 139 V C -0.110 175.864 176.094 -0.199 0.000 1.045 139 V CA -0.256 61.874 62.300 -0.284 0.000 0.938 139 V CB 1.664 33.343 31.823 -0.240 0.000 0.986 139 V HN 0.742 nan 8.190 nan 0.000 0.467 140 T N 5.532 119.969 114.554 -0.195 0.000 2.847 140 T HA 0.354 4.735 4.350 0.053 0.000 0.291 140 T C -0.339 174.292 174.700 -0.114 0.000 0.998 140 T CA -0.617 61.403 62.100 -0.135 0.000 0.967 140 T CB 0.796 69.590 68.868 -0.124 0.000 0.954 140 T HN 0.515 nan 8.240 nan 0.000 0.441 141 K N 3.107 123.456 120.400 -0.085 0.000 2.347 141 K HA 0.445 4.797 4.320 0.053 0.000 0.262 141 K C 0.627 177.198 176.600 -0.048 0.000 1.052 141 K CA -0.339 55.909 56.287 -0.065 0.000 0.946 141 K CB 0.877 33.343 32.500 -0.057 0.000 1.220 141 K HN 0.752 nan 8.250 nan 0.000 0.450 142 S N 2.240 117.916 115.700 -0.040 0.000 3.161 142 S HA 0.840 5.341 4.470 0.053 0.000 0.214 142 S C 0.376 174.960 174.600 -0.025 0.000 1.105 142 S CA -0.047 58.135 58.200 -0.031 0.000 1.369 142 S CB 0.606 63.790 63.200 -0.027 0.000 0.959 142 S HN 0.638 nan 8.310 nan 0.000 0.572 143 A N -0.408 122.399 122.820 -0.020 0.000 3.565 143 A HA 0.744 5.095 4.320 0.053 0.000 0.253 143 A C -0.853 176.721 177.584 -0.016 0.000 0.988 143 A CA -0.210 51.816 52.037 -0.018 0.000 0.543 143 A CB -0.647 18.341 19.000 -0.020 0.000 1.714 143 A HN 2.325 nan 8.150 nan 0.000 0.847 144 A N -0.792 122.019 122.820 -0.015 0.000 2.456 144 A HA 0.602 4.954 4.320 0.053 0.000 0.294 144 A C -0.609 176.967 177.584 -0.013 0.000 1.057 144 A CA -0.018 52.012 52.037 -0.013 0.000 0.623 144 A CB -0.489 18.504 19.000 -0.012 0.000 1.338 144 A HN 2.217 nan 8.150 nan 0.000 0.464 145 N N 0.571 119.264 118.700 -0.011 0.000 2.206 145 N HA 0.190 4.962 4.740 0.053 0.000 0.283 145 N C 1.023 176.525 175.510 -0.012 0.000 1.385 145 N CA 0.734 53.778 53.050 -0.011 0.000 1.002 145 N CB -0.103 38.378 38.487 -0.009 0.000 1.423 145 N HN 2.327 nan 8.380 nan 0.000 0.488 146 G N 1.055 109.848 108.800 -0.013 0.000 2.184 146 G HA2 -0.329 3.662 3.960 0.053 0.000 0.264 146 G HA3 -0.329 3.662 3.960 0.053 0.000 0.264 146 G C -0.087 174.803 174.900 -0.017 0.000 0.975 146 G CA 0.459 45.550 45.100 -0.014 0.000 0.642 146 G HN 0.627 nan 8.290 nan 0.000 0.536 147 K N 0.912 121.301 120.400 -0.018 0.000 2.637 147 K HA 0.554 4.906 4.320 0.053 0.000 0.248 147 K C 0.111 176.697 176.600 -0.023 0.000 0.971 147 K CA -0.261 56.013 56.287 -0.023 0.000 0.858 147 K CB 1.354 33.840 32.500 -0.023 0.000 1.170 147 K HN 0.090 nan 8.250 nan 0.000 0.443 148 T N 2.011 116.549 114.554 -0.027 0.000 2.926 148 T HA 0.285 4.667 4.350 0.053 0.000 0.307 148 T C 0.208 174.894 174.700 -0.024 0.000 1.059 148 T CA 0.060 62.144 62.100 -0.027 0.000 1.122 148 T CB 0.457 69.305 68.868 -0.032 0.000 0.972 148 T HN 0.739 nan 8.240 nan 0.000 0.545 149 T N -1.132 113.412 114.554 -0.016 0.000 2.865 149 T HA 0.842 5.224 4.350 0.053 0.000 0.294 149 T C -1.075 173.628 174.700 0.005 0.000 1.119 149 T CA -1.002 61.099 62.100 0.001 0.000 1.007 149 T CB 2.010 70.882 68.868 0.007 0.000 1.225 149 T HN 0.817 nan 8.240 nan 0.000 0.515 150 A N 0.823 123.670 122.820 0.046 0.000 2.594 150 A HA 0.929 5.281 4.320 0.053 0.000 0.295 150 A C -0.190 177.395 177.584 0.000 0.000 1.071 150 A CA -0.606 51.428 52.037 -0.004 0.000 0.685 150 A CB 1.490 20.473 19.000 -0.029 0.000 1.285 150 A HN 1.613 nan 8.150 nan 0.000 0.405 151 T N -1.256 113.208 114.554 -0.150 0.000 2.901 151 T HA 0.823 5.205 4.350 0.053 0.000 0.293 151 T C -0.727 173.726 174.700 -0.412 0.000 1.084 151 T CA -0.579 61.403 62.100 -0.196 0.000 1.008 151 T CB 1.194 70.011 68.868 -0.085 0.000 1.170 151 T HN 0.653 nan 8.240 nan 0.000 0.509 152 I N 1.566 121.864 120.570 -0.453 0.000 2.533 152 I HA 0.513 4.715 4.170 0.053 0.000 0.290 152 I C -0.333 175.472 176.117 -0.519 0.000 1.056 152 I CA -0.921 60.031 61.300 -0.581 0.000 1.057 152 I CB 2.321 39.883 38.000 -0.731 0.000 1.240 152 I HN 0.796 nan 8.210 nan 0.000 0.423 153 S N 5.407 120.771 115.700 -0.560 0.000 2.454 153 S HA 0.582 5.084 4.470 0.053 0.000 0.306 153 S C -1.634 172.667 174.600 -0.497 0.000 1.100 153 S CA -0.425 57.550 58.200 -0.375 0.000 1.087 153 S CB 0.683 63.760 63.200 -0.204 0.000 1.019 153 S HN 0.461 nan 8.310 nan 0.000 0.480 154 W N 3.032 124.312 121.300 -0.034 0.000 2.429 154 W HA 0.594 5.286 4.660 0.053 0.000 0.314 154 W C 0.964 177.466 176.519 -0.028 0.000 1.062 154 W CA -0.755 56.571 57.345 -0.031 0.000 1.211 154 W CB 1.249 30.701 29.460 -0.013 0.000 1.305 154 W HN 0.961 nan 8.180 nan 0.000 0.476 155 G N 1.326 110.237 108.800 0.185 0.000 2.653 155 G HA2 0.471 4.462 3.960 0.053 0.000 0.265 155 G HA3 0.471 4.462 3.960 0.053 0.000 0.265 155 G C -0.357 174.608 174.900 0.108 0.000 1.237 155 G CA -0.697 44.467 45.100 0.106 0.000 0.946 155 G HN 0.526 nan 8.290 nan 0.000 0.522 156 K N 0.194 120.633 120.400 0.065 0.000 2.185 156 K HA 0.585 4.937 4.320 0.053 0.000 0.271 156 K C -2.264 174.359 176.600 0.037 0.000 1.013 156 K CA -1.323 54.989 56.287 0.042 0.000 0.943 156 K CB -0.072 32.442 32.500 0.024 0.000 0.998 156 K HN 0.514 nan 8.250 nan 0.000 0.468 157 P HA 0.267 nan 4.420 nan 0.000 0.269 157 P C -0.931 176.362 177.300 -0.013 0.000 1.209 157 P CA -0.486 62.606 63.100 -0.013 0.000 0.776 157 P CB 0.918 32.582 31.700 -0.060 0.000 0.876 158 V N 1.911 121.822 119.914 -0.006 0.000 2.540 158 V HA 0.344 4.495 4.120 0.053 0.000 0.302 158 V C 0.174 176.239 176.094 -0.049 0.000 1.035 158 V CA -0.537 61.764 62.300 0.001 0.000 0.873 158 V CB 1.933 33.795 31.823 0.065 0.000 0.992 158 V HN 0.551 nan 8.190 nan 0.000 0.428 159 S N 3.979 119.636 115.700 -0.072 0.000 2.537 159 S HA 0.498 4.999 4.470 0.053 0.000 0.275 159 S C 0.480 175.039 174.600 -0.069 0.000 1.272 159 S CA -0.512 57.604 58.200 -0.140 0.000 1.050 159 S CB 0.545 63.641 63.200 -0.172 0.000 0.961 159 S HN 0.632 nan 8.310 nan 0.000 0.496 160 L N 4.616 125.782 121.223 -0.096 0.000 2.728 160 L HA 0.268 4.639 4.340 0.053 0.000 0.238 160 L C 2.071 179.019 176.870 0.130 0.000 1.143 160 L CA -0.044 54.825 54.840 0.048 0.000 0.937 160 L CB -0.182 41.905 42.059 0.046 0.000 1.225 160 L HN 0.706 nan 8.230 nan 0.000 0.507 161 K N 1.784 122.165 120.400 -0.031 0.000 2.063 161 K HA -0.143 4.209 4.320 0.053 0.000 0.208 161 K C -0.612 176.122 176.600 0.223 0.000 1.048 161 K CA 1.497 57.810 56.287 0.044 0.000 0.928 161 K CB -0.465 31.926 32.500 -0.183 0.000 0.713 161 K HN 0.138 nan 8.250 nan 0.000 0.442 162 P HA -0.127 nan 4.420 nan 0.000 0.223 162 P C 0.473 177.904 177.300 0.219 0.000 1.144 162 P CA 1.061 64.258 63.100 0.162 0.000 0.783 162 P CB 0.047 31.814 31.700 0.112 0.000 0.771 163 L N -3.325 118.080 121.223 0.302 0.000 2.592 163 L HA 0.156 4.528 4.340 0.053 0.000 0.227 163 L C 0.741 177.901 176.870 0.485 0.000 1.127 163 L CA -0.293 54.768 54.840 0.368 0.000 0.884 163 L CB -0.461 41.846 42.059 0.413 0.000 1.065 163 L HN -0.075 nan 8.230 nan 0.000 0.457 164 F N 3.869 123.961 119.950 0.237 0.000 2.421 164 F HA 0.443 4.993 4.527 0.038 0.000 0.358 164 F C -1.943 173.778 175.800 -0.132 0.000 1.115 164 F CA -3.813 54.213 58.000 0.043 0.000 1.160 164 F CB 0.280 39.468 39.000 0.314 0.000 1.123 164 F HN -0.164 nan 8.300 nan 0.000 0.508 165 P HA 0.180 nan 4.420 nan 0.000 0.269 165 P C -0.222 176.523 177.300 -0.925 0.000 1.215 165 P CA -0.021 62.678 63.100 -0.669 0.000 0.780 165 P CB 0.776 31.983 31.700 -0.822 0.000 0.898 166 A N 0.013 122.501 122.820 -0.554 0.000 2.123 166 A HA 0.369 4.721 4.320 0.053 0.000 0.214 166 A C 0.971 178.284 177.584 -0.452 0.000 1.152 166 A CA 1.518 53.295 52.037 -0.433 0.000 0.728 166 A CB -0.656 18.212 19.000 -0.220 0.000 0.814 166 A HN 0.679 nan 8.150 nan 0.000 0.464 167 E N -1.406 118.473 120.200 -0.535 0.000 2.392 167 E HA 0.685 5.066 4.350 0.053 0.000 0.279 167 E C -1.459 174.838 176.600 -0.506 0.000 0.964 167 E CA -0.741 55.418 56.400 -0.401 0.000 0.777 167 E CB 0.841 30.422 29.700 -0.197 0.000 1.249 167 E HN 0.358 nan 8.360 nan 0.000 0.449 168 F N 1.265 121.160 119.950 -0.091 0.000 2.539 168 F HA 0.415 4.984 4.527 0.069 0.000 0.318 168 F C 0.239 175.994 175.800 -0.076 0.000 1.135 168 F CA -0.749 57.208 58.000 -0.071 0.000 0.915 168 F CB 2.473 41.456 39.000 -0.028 0.000 1.176 168 F HN 0.661 nan 8.300 nan 0.000 0.440 169 D N 2.804 123.277 120.400 0.121 0.000 2.792 169 D HA -0.208 4.464 4.640 0.053 0.000 0.231 169 D C 1.248 177.557 176.300 0.015 0.000 1.160 169 D CA 2.001 56.022 54.000 0.035 0.000 0.697 169 D CB -0.817 39.975 40.800 -0.013 0.000 1.070 169 D HN 1.064 nan 8.370 nan 0.000 0.426 170 G N -1.121 107.684 108.800 0.007 0.000 2.179 170 G HA2 -0.346 3.646 3.960 0.053 0.000 0.260 170 G HA3 -0.346 3.646 3.960 0.053 0.000 0.260 170 G C 0.517 175.412 174.900 -0.009 0.000 0.977 170 G CA 0.200 45.293 45.100 -0.011 0.000 0.641 170 G HN 0.552 nan 8.290 nan 0.000 0.533 171 I N 2.308 122.889 120.570 0.019 0.000 2.436 171 I HA 0.269 4.470 4.170 0.053 0.000 0.289 171 I C 1.031 177.153 176.117 0.008 0.000 1.083 171 I CA -0.435 60.889 61.300 0.041 0.000 1.372 171 I CB 0.565 38.626 38.000 0.101 0.000 1.408 171 I HN 0.043 nan 8.210 nan 0.000 0.516 172 L N 6.540 127.753 121.223 -0.016 0.000 2.360 172 L HA 0.261 4.632 4.340 0.053 0.000 0.276 172 L C 0.918 177.763 176.870 -0.042 0.000 1.121 172 L CA -0.529 54.274 54.840 -0.062 0.000 0.845 172 L CB 0.005 42.033 42.059 -0.051 0.000 1.143 172 L HN 0.612 nan 8.230 nan 0.000 0.452 173 T N -0.793 113.668 114.554 -0.154 0.000 2.882 173 T HA 0.300 4.682 4.350 0.053 0.000 0.287 173 T C 0.409 175.102 174.700 -0.011 0.000 1.014 173 T CA -0.623 61.403 62.100 -0.122 0.000 1.049 173 T CB 2.615 71.115 68.868 -0.614 0.000 1.001 173 T HN 0.774 nan 8.240 nan 0.000 0.525 174 K N 0.251 120.715 120.400 0.108 0.000 2.418 174 K HA 0.294 4.646 4.320 0.053 0.000 0.208 174 K C 0.140 176.739 176.600 -0.002 0.000 1.261 174 K CA -0.042 56.287 56.287 0.070 0.000 0.874 174 K CB 0.809 33.304 32.500 -0.008 0.000 1.451 174 K HN 0.834 nan 8.250 nan 0.000 0.466 175 E N -0.856 119.278 120.200 -0.109 0.000 2.430 175 E HA 0.305 4.687 4.350 0.053 0.000 0.279 175 E C -1.628 174.755 176.600 -0.361 0.000 1.003 175 E CA -0.900 54.962 56.400 -0.897 0.000 0.801 175 E CB 2.170 31.332 29.700 -0.898 0.000 1.313 175 E HN 0.117 nan 8.360 nan 0.000 0.459 176 F N -1.210 118.297 119.950 -0.738 0.000 2.643 176 F HA 0.861 5.413 4.527 0.042 0.000 0.314 176 F C -1.817 173.949 175.800 -0.057 0.000 1.096 176 F CA -0.772 57.125 58.000 -0.172 0.000 0.953 176 F CB 1.161 40.005 39.000 -0.261 0.000 1.345 176 F HN 0.268 nan 8.300 nan 0.000 0.468 177 V N 1.068 120.973 119.914 -0.014 0.000 3.087 177 V HA 0.713 4.865 4.120 0.053 0.000 0.306 177 V C 0.313 176.419 176.094 0.020 0.000 1.187 177 V CA -0.473 61.692 62.300 -0.224 0.000 0.999 177 V CB 2.036 33.537 31.823 -0.538 0.000 1.049 177 V HN 1.278 nan 8.190 nan 0.000 0.431 178 G N 1.248 109.998 108.800 -0.082 0.000 2.690 178 G HA2 0.349 4.341 3.960 0.053 0.000 0.239 178 G HA3 0.349 4.341 3.960 0.053 0.000 0.239 178 G C 1.091 176.011 174.900 0.035 0.000 1.233 178 G CA 0.328 45.394 45.100 -0.058 0.000 0.847 178 G HN 1.289 nan 8.290 nan 0.000 0.588 179 G N -1.853 107.016 108.800 0.115 0.000 2.744 179 G HA2 0.324 4.316 3.960 0.053 0.000 0.211 179 G HA3 0.324 4.316 3.960 0.053 0.000 0.211 179 G C 0.267 175.248 174.900 0.135 0.000 1.143 179 G CA 0.752 45.940 45.100 0.147 0.000 0.788 179 G HN 1.530 nan 8.290 nan 0.000 0.534 180 V N -1.380 118.605 119.914 0.119 0.000 3.183 180 V HA 0.285 4.437 4.120 0.053 0.000 0.459 180 V C 0.593 176.780 176.094 0.155 0.000 0.682 180 V CA 0.348 62.727 62.300 0.132 0.000 1.997 180 V CB -1.229 30.702 31.823 0.181 0.000 2.466 180 V HN 2.005 nan 8.190 nan 0.000 0.495 181 G N 2.763 111.656 108.800 0.154 0.000 2.447 181 G HA2 0.494 4.486 3.960 0.053 0.000 0.220 181 G HA3 0.494 4.486 3.960 0.053 0.000 0.220 181 G C -0.091 174.923 174.900 0.191 0.000 1.261 181 G CA -0.043 45.156 45.100 0.165 0.000 1.000 181 G HN 2.477 nan 8.290 nan 0.000 0.515 182 A N -0.183 122.751 122.820 0.191 0.000 2.362 182 A HA 0.945 5.297 4.320 0.053 0.000 0.276 182 A C 0.785 178.491 177.584 0.202 0.000 1.153 182 A CA 1.387 53.542 52.037 0.197 0.000 0.813 182 A CB 0.414 19.524 19.000 0.182 0.000 1.081 182 A HN 2.478 nan 8.150 nan 0.000 0.507 183 A N 2.430 125.373 122.820 0.206 0.000 3.200 183 A HA 0.936 5.287 4.320 0.053 0.000 0.208 183 A C 0.025 177.676 177.584 0.110 0.000 1.360 183 A CA -0.097 52.047 52.037 0.179 0.000 0.892 183 A CB 0.428 19.565 19.000 0.229 0.000 1.600 183 A HN 1.619 nan 8.150 nan 0.000 0.501 184 I N -3.290 117.311 120.570 0.053 0.000 3.191 184 I HA 0.718 4.920 4.170 0.053 0.000 0.313 184 I C -1.434 174.676 176.117 -0.012 0.000 1.193 184 I CA -1.133 60.188 61.300 0.035 0.000 0.968 184 I CB 1.938 39.965 38.000 0.045 0.000 1.262 184 I HN 0.259 nan 8.210 nan 0.000 0.456 185 V N 2.642 122.556 119.914 -0.001 0.000 2.407 185 V HA 0.551 4.703 4.120 0.053 0.000 0.278 185 V C 1.029 177.116 176.094 -0.011 0.000 1.037 185 V CA -0.112 62.175 62.300 -0.023 0.000 0.900 185 V CB 0.880 32.695 31.823 -0.012 0.000 0.983 185 V HN 0.949 nan 8.190 nan 0.000 0.459 186 G N 2.866 111.652 108.800 -0.023 0.000 2.636 186 G HA2 0.267 4.259 3.960 0.053 0.000 0.246 186 G HA3 0.267 4.259 3.960 0.053 0.000 0.246 186 G C 1.166 176.052 174.900 -0.024 0.000 1.216 186 G CA 0.284 45.370 45.100 -0.024 0.000 0.854 186 G HN 0.930 nan 8.290 nan 0.000 0.572 187 S N -0.008 115.677 115.700 -0.025 0.000 2.442 187 S HA -0.183 4.318 4.470 0.053 0.000 0.236 187 S C 1.715 176.298 174.600 -0.028 0.000 1.007 187 S CA 1.305 59.490 58.200 -0.025 0.000 0.965 187 S CB -0.300 62.882 63.200 -0.031 0.000 0.773 187 S HN 0.736 nan 8.310 nan 0.000 0.504 188 N N 1.351 120.031 118.700 -0.034 0.000 2.449 188 N HA 0.225 4.996 4.740 0.053 0.000 0.191 188 N C 1.240 176.730 175.510 -0.033 0.000 1.161 188 N CA 0.688 53.718 53.050 -0.033 0.000 0.863 188 N CB -0.579 37.885 38.487 -0.038 0.000 0.980 188 N HN 0.607 nan 8.380 nan 0.000 0.458 189 G N -0.524 108.255 108.800 -0.034 0.000 2.199 189 G HA2 -0.318 3.674 3.960 0.053 0.000 0.254 189 G HA3 -0.318 3.674 3.960 0.053 0.000 0.254 189 G C -0.219 174.645 174.900 -0.059 0.000 0.982 189 G CA -0.007 45.069 45.100 -0.040 0.000 0.632 189 G HN 0.502 nan 8.290 nan 0.000 0.529 190 N N 0.565 119.234 118.700 -0.052 0.000 2.407 190 N HA 0.327 5.099 4.740 0.053 0.000 0.250 190 N C 0.763 176.227 175.510 -0.077 0.000 1.236 190 N CA 0.189 53.210 53.050 -0.049 0.000 0.879 190 N CB 0.389 38.870 38.487 -0.009 0.000 1.088 190 N HN 0.394 nan 8.380 nan 0.000 0.450 191 L N 1.694 122.834 121.223 -0.139 0.000 2.319 191 L HA 0.276 4.648 4.340 0.053 0.000 0.280 191 L C -0.295 176.570 176.870 -0.009 0.000 1.099 191 L CA -0.545 54.192 54.840 -0.171 0.000 0.828 191 L CB 0.583 42.435 42.059 -0.345 0.000 1.150 191 L HN 0.111 nan 8.230 nan 0.000 0.442 192 V N 4.461 124.352 119.914 -0.038 0.000 2.376 192 V HA 0.326 4.478 4.120 0.053 0.000 0.287 192 V C -0.744 175.389 176.094 0.066 0.000 1.015 192 V CA -0.559 61.788 62.300 0.078 0.000 0.834 192 V CB 1.223 33.084 31.823 0.064 0.000 1.001 192 V HN 0.452 nan 8.190 nan 0.000 0.428 193 Y N 6.517 126.956 120.300 0.232 0.000 2.331 193 Y HA 0.472 5.055 4.550 0.055 0.000 0.338 193 Y C -2.092 173.906 175.900 0.164 0.000 0.992 193 Y CA -2.655 55.543 58.100 0.164 0.000 1.121 193 Y CB 2.737 41.243 38.460 0.077 0.000 1.184 193 Y HN 0.430 nan 8.280 nan 0.000 0.469 194 P HA 0.181 nan 4.420 nan 0.000 0.285 194 P C -1.068 176.398 177.300 0.277 0.000 1.259 194 P CA -0.178 63.102 63.100 0.299 0.000 0.794 194 P CB 1.815 33.674 31.700 0.266 0.000 0.940 195 V N 0.856 120.930 119.914 0.267 0.000 3.040 195 V HA 0.663 4.815 4.120 0.053 0.000 0.312 195 V C -0.734 175.499 176.094 0.232 0.000 1.115 195 V CA -1.125 61.322 62.300 0.246 0.000 0.998 195 V CB 1.910 33.884 31.823 0.253 0.000 1.042 195 V HN 0.585 nan 8.190 nan 0.000 0.433 196 Q N 2.974 122.920 119.800 0.243 0.000 2.333 196 Q HA 0.734 5.106 4.340 0.053 0.000 0.267 196 Q C -1.357 174.816 176.000 0.289 0.000 1.012 196 Q CA -0.853 55.090 55.803 0.234 0.000 0.824 196 Q CB 2.515 31.442 28.738 0.316 0.000 1.290 196 Q HN 0.701 nan 8.270 nan 0.000 0.449 197 I N 1.355 121.900 120.570 -0.042 0.000 2.474 197 I HA 0.630 4.832 4.170 0.053 0.000 0.294 197 I C -0.529 175.417 176.117 -0.285 0.000 1.005 197 I CA -0.929 60.286 61.300 -0.142 0.000 1.113 197 I CB 1.564 39.165 38.000 -0.664 0.000 1.289 197 I HN 0.837 nan 8.210 nan 0.000 0.436 198 A N 5.020 127.758 122.820 -0.136 0.000 2.288 198 A HA 0.604 4.956 4.320 0.053 0.000 0.320 198 A C -0.326 177.255 177.584 -0.005 0.000 1.217 198 A CA -0.604 51.281 52.037 -0.252 0.000 0.840 198 A CB 0.694 19.305 19.000 -0.648 0.000 1.179 198 A HN 0.763 nan 8.150 nan 0.000 0.504 199 D N 2.097 122.569 120.400 0.120 0.000 2.451 199 D HA 0.202 4.873 4.640 0.053 0.000 0.259 199 D C 1.103 177.412 176.300 0.016 0.000 1.201 199 D CA -0.666 53.426 54.000 0.153 0.000 1.028 199 D CB 0.318 41.270 40.800 0.254 0.000 1.095 199 D HN 0.239 nan 8.370 nan 0.000 0.539 200 M N 0.094 119.698 119.600 0.007 0.000 2.202 200 M HA 0.009 4.521 4.480 0.053 0.000 0.262 200 M C 1.846 178.119 176.300 -0.045 0.000 1.063 200 M CA 1.454 56.742 55.300 -0.020 0.000 1.097 200 M CB -1.324 31.266 32.600 -0.017 0.000 1.382 200 M HN 0.723 nan 8.290 nan 0.000 0.413 201 G N -1.267 107.496 108.800 -0.060 0.000 3.181 201 G HA2 0.304 4.296 3.960 0.053 0.000 0.219 201 G HA3 0.304 4.296 3.960 0.053 0.000 0.219 201 G C 1.113 175.950 174.900 -0.104 0.000 1.182 201 G CA 0.465 45.514 45.100 -0.085 0.000 0.791 201 G HN 0.665 nan 8.290 nan 0.000 0.537 202 G N -0.140 108.593 108.800 -0.112 0.000 2.162 202 G HA2 -0.289 3.703 3.960 0.053 0.000 0.260 202 G HA3 -0.289 3.703 3.960 0.053 0.000 0.260 202 G C 0.580 175.394 174.900 -0.143 0.000 0.976 202 G CA 0.039 45.046 45.100 -0.156 0.000 0.655 202 G HN 0.643 nan 8.290 nan 0.000 0.533 203 R N -0.557 119.886 120.500 -0.095 0.000 2.539 203 R HA 0.560 4.932 4.340 0.053 0.000 0.275 203 R C -0.020 176.355 176.300 0.126 0.000 1.077 203 R CA -0.135 55.949 56.100 -0.026 0.000 1.097 203 R CB 1.874 32.051 30.300 -0.204 0.000 1.018 203 R HN 0.240 nan 8.270 nan 0.000 0.483 204 V N 4.555 124.592 119.914 0.204 0.000 2.628 204 V HA 0.764 4.916 4.120 0.053 0.000 0.306 204 V C -1.207 175.139 176.094 0.421 0.000 1.045 204 V CA -0.478 61.926 62.300 0.173 0.000 0.905 204 V CB 1.229 33.075 31.823 0.038 0.000 0.997 204 V HN 0.722 nan 8.190 nan 0.000 0.436 205 F N 2.085 122.141 119.950 0.176 0.000 2.741 205 F HA 0.856 5.413 4.527 0.049 0.000 0.313 205 F C -0.537 175.308 175.800 0.074 0.000 1.153 205 F CA -0.345 57.700 58.000 0.076 0.000 0.931 205 F CB 1.497 40.446 39.000 -0.087 0.000 1.335 205 F HN 0.611 nan 8.300 nan 0.000 0.460 206 T N -0.940 113.692 114.554 0.131 0.000 2.932 206 T HA 0.810 5.191 4.350 0.053 0.000 0.289 206 T C -1.106 173.597 174.700 0.005 0.000 1.039 206 T CA -0.799 61.367 62.100 0.110 0.000 1.024 206 T CB 2.398 71.439 68.868 0.288 0.000 1.090 206 T HN 0.886 nan 8.240 nan 0.000 0.496 207 K N 0.411 120.911 120.400 0.166 0.000 2.548 207 K HA 0.525 4.877 4.320 0.053 0.000 0.282 207 K C -1.298 175.566 176.600 0.440 0.000 1.006 207 K CA -1.039 55.360 56.287 0.187 0.000 0.892 207 K CB 2.002 34.534 32.500 0.053 0.000 1.499 207 K HN 0.442 nan 8.250 nan 0.000 0.433 208 I N 2.216 123.076 120.570 0.483 0.000 2.359 208 I HA 0.345 4.547 4.170 0.053 0.000 0.294 208 I C -0.179 176.117 176.117 0.299 0.000 0.987 208 I CA -0.320 61.217 61.300 0.394 0.000 1.225 208 I CB 1.204 39.433 38.000 0.381 0.000 1.366 208 I HN 0.599 nan 8.210 nan 0.000 0.466 209 M N 9.020 128.748 119.600 0.214 0.000 2.243 209 M HA 0.443 4.954 4.480 0.053 0.000 0.324 209 M C -1.750 174.763 176.300 0.356 0.000 1.031 209 M CA -0.561 54.736 55.300 -0.005 0.000 0.949 209 M CB 1.537 33.886 32.600 -0.419 0.000 1.615 209 M HN 0.513 nan 8.290 nan 0.000 0.430 210 Y N 1.363 121.807 120.300 0.239 0.000 2.615 210 Y HA 0.810 5.393 4.550 0.056 0.000 0.341 210 Y C -1.474 174.448 175.900 0.037 0.000 1.089 210 Y CA -1.212 57.033 58.100 0.243 0.000 1.049 210 Y CB 1.486 39.997 38.460 0.086 0.000 1.296 210 Y HN 0.548 nan 8.280 nan 0.000 0.470 211 S N 0.520 116.094 115.700 -0.209 0.000 2.561 211 S HA 0.359 4.861 4.470 0.053 0.000 0.303 211 S C -0.456 173.992 174.600 -0.253 0.000 1.110 211 S CA -0.666 57.171 58.200 -0.604 0.000 1.034 211 S CB 1.038 63.373 63.200 -1.443 0.000 1.010 211 S HN 0.832 nan 8.310 nan 0.000 0.482 212 E N 2.092 122.194 120.200 -0.163 0.000 2.479 212 E HA 0.058 4.440 4.350 0.053 0.000 0.193 212 E C -0.462 176.058 176.600 -0.133 0.000 1.049 212 E CA 0.174 56.527 56.400 -0.077 0.000 0.870 212 E CB 0.106 29.807 29.700 0.001 0.000 0.944 212 E HN 0.705 nan 8.360 nan 0.000 0.492 213 D N -0.336 119.931 120.400 -0.223 0.000 2.895 213 D HA 0.064 4.736 4.640 0.053 0.000 0.350 213 D C -0.584 175.595 176.300 -0.203 0.000 1.389 213 D CA -0.586 53.308 54.000 -0.176 0.000 0.812 213 D CB -0.036 40.677 40.800 -0.145 0.000 1.164 213 D HN -0.245 nan 8.370 nan 0.000 0.455 214 D N 0.263 120.517 120.400 -0.243 0.000 2.837 214 D HA -0.134 4.538 4.640 0.053 0.000 0.230 214 D C 1.358 177.518 176.300 -0.234 0.000 1.152 214 D CA 1.795 55.661 54.000 -0.222 0.000 0.736 214 D CB -1.341 39.428 40.800 -0.051 0.000 1.084 214 D HN 0.780 nan 8.370 nan 0.000 0.429 215 G N -0.501 108.011 108.800 -0.479 0.000 2.176 215 G HA2 -0.408 3.584 3.960 0.053 0.000 0.232 215 G HA3 -0.408 3.584 3.960 0.053 0.000 0.232 215 G C 0.832 175.640 174.900 -0.153 0.000 0.986 215 G CA 0.734 45.600 45.100 -0.391 0.000 0.643 215 G HN 0.542 nan 8.290 nan 0.000 0.522 216 N N 0.360 118.948 118.700 -0.187 0.000 2.171 216 N HA 0.103 4.874 4.740 0.053 0.000 0.184 216 N C 1.269 176.724 175.510 -0.092 0.000 1.021 216 N CA 2.233 55.244 53.050 -0.066 0.000 0.854 216 N CB 0.165 38.616 38.487 -0.061 0.000 0.994 216 N HN 0.757 nan 8.380 nan 0.000 0.426 217 T N -3.598 110.788 114.554 -0.281 0.000 2.906 217 T HA 0.592 4.974 4.350 0.053 0.000 0.295 217 T C -1.307 173.102 174.700 -0.484 0.000 1.075 217 T CA -0.854 61.128 62.100 -0.197 0.000 1.005 217 T CB 1.306 70.113 68.868 -0.101 0.000 1.136 217 T HN 0.154 nan 8.240 nan 0.000 0.498 218 W N 0.425 121.678 121.300 -0.079 0.000 3.033 218 W HA 0.663 5.355 4.660 0.053 0.000 0.336 218 W C -0.672 175.702 176.519 -0.242 0.000 1.173 218 W CA -0.864 56.368 57.345 -0.189 0.000 1.185 218 W CB 2.163 31.545 29.460 -0.131 0.000 1.425 218 W HN 0.552 nan 8.180 nan 0.000 0.536 219 K N 1.987 122.244 120.400 -0.238 0.000 2.422 219 K HA 0.531 4.883 4.320 0.053 0.000 0.251 219 K C -1.564 174.871 176.600 -0.274 0.000 0.933 219 K CA -1.088 55.047 56.287 -0.253 0.000 0.798 219 K CB 2.256 34.428 32.500 -0.545 0.000 1.238 219 K HN 0.266 nan 8.250 nan 0.000 0.428 220 F N 1.370 121.387 119.950 0.112 0.000 2.405 220 F HA 0.344 4.906 4.527 0.059 0.000 0.355 220 F C 0.958 176.881 175.800 0.206 0.000 1.121 220 F CA -0.437 57.673 58.000 0.184 0.000 1.112 220 F CB 1.339 40.518 39.000 0.298 0.000 1.126 220 F HN 0.611 nan 8.300 nan 0.000 0.481 221 A N 3.235 126.287 122.820 0.388 0.000 2.346 221 A HA 0.223 4.574 4.320 0.053 0.000 0.252 221 A C 1.264 178.961 177.584 0.189 0.000 1.089 221 A CA -0.305 51.952 52.037 0.367 0.000 0.797 221 A CB 0.337 19.574 19.000 0.395 0.000 1.047 221 A HN 0.906 nan 8.150 nan 0.000 0.494 222 E N 0.606 120.891 120.200 0.142 0.000 2.152 222 E HA 0.001 4.383 4.350 0.053 0.000 0.192 222 E C 1.299 177.826 176.600 -0.123 0.000 0.983 222 E CA 0.660 57.078 56.400 0.030 0.000 0.818 222 E CB -0.076 29.657 29.700 0.055 0.000 0.758 222 E HN 0.802 nan 8.360 nan 0.000 0.467 223 G N 0.952 109.673 108.800 -0.132 0.000 2.616 223 G HA2 0.343 4.334 3.960 0.053 0.000 0.268 223 G HA3 0.343 4.334 3.960 0.053 0.000 0.268 223 G C -0.202 174.055 174.900 -1.071 0.000 1.213 223 G CA -0.380 44.411 45.100 -0.516 0.000 0.926 223 G HN 0.186 nan 8.290 nan 0.000 0.523 224 R N -2.047 117.524 120.500 -1.548 0.000 2.728 224 R HA 0.561 4.932 4.340 0.053 0.000 0.274 224 R C -0.280 175.126 176.300 -1.490 0.000 1.030 224 R CA -0.521 54.603 56.100 -1.626 0.000 0.876 224 R CB 0.527 30.366 30.300 -0.767 0.000 1.259 224 R HN 0.739 nan 8.270 nan 0.000 0.468 225 S N 0.364 115.409 115.700 -1.092 0.000 2.634 225 S HA 0.298 4.799 4.470 0.053 0.000 0.261 225 S C -0.015 174.352 174.600 -0.388 0.000 1.271 225 S CA -0.828 57.002 58.200 -0.616 0.000 0.985 225 S CB 0.691 63.856 63.200 -0.060 0.000 0.968 225 S HN 0.558 nan 8.310 nan 0.000 0.568 226 K N -0.077 120.262 120.400 -0.102 0.000 2.336 226 K HA 0.191 4.543 4.320 0.053 0.000 0.262 226 K C -0.434 176.102 176.600 -0.107 0.000 0.992 226 K CA 0.041 56.252 56.287 -0.127 0.000 0.927 226 K CB 0.073 32.631 32.500 0.096 0.000 0.956 226 K HN 0.518 nan 8.250 nan 0.000 0.495 227 F N -0.060 119.926 119.950 0.061 0.000 2.553 227 F HA 0.055 4.612 4.527 0.050 0.000 0.356 227 F C 1.723 177.596 175.800 0.122 0.000 1.142 227 F CA 1.465 59.528 58.000 0.105 0.000 1.322 227 F CB 0.488 39.516 39.000 0.047 0.000 1.126 227 F HN 0.835 nan 8.300 nan 0.000 0.599 228 G N 0.303 109.307 108.800 0.340 0.000 2.195 228 G HA2 -0.243 3.749 3.960 0.053 0.000 0.224 228 G HA3 -0.243 3.749 3.960 0.053 0.000 0.224 228 G C -0.422 174.604 174.900 0.209 0.000 0.990 228 G CA -0.382 44.854 45.100 0.227 0.000 0.639 228 G HN 0.758 nan 8.290 nan 0.000 0.514 229 C N 2.052 121.494 119.300 0.236 0.000 2.350 229 C HA 0.887 5.379 4.460 0.053 0.000 0.348 229 C C 0.908 176.032 174.990 0.223 0.000 1.260 229 C CA 0.344 59.503 59.018 0.235 0.000 1.966 229 C CB 0.797 28.702 27.740 0.275 0.000 2.380 229 C HN 1.088 nan 8.230 nan 0.000 0.535 230 S N 0.521 116.350 115.700 0.215 0.000 2.720 230 S HA 0.560 5.062 4.470 0.053 0.000 0.287 230 S C -0.812 173.911 174.600 0.205 0.000 1.168 230 S CA -0.721 57.613 58.200 0.223 0.000 0.832 230 S CB 0.454 63.791 63.200 0.229 0.000 1.166 230 S HN 0.752 nan 8.310 nan 0.000 0.493 231 E N 1.546 121.867 120.200 0.202 0.000 2.024 231 E HA -0.137 4.245 4.350 0.053 0.000 0.171 231 E C -2.231 174.466 176.600 0.161 0.000 1.417 231 E CA 0.477 56.974 56.400 0.162 0.000 0.650 231 E CB -1.287 28.482 29.700 0.115 0.000 1.044 231 E HN 0.473 nan 8.360 nan 0.000 0.308 232 P HA 0.164 nan 4.420 nan 0.000 0.275 232 P C -0.751 176.672 177.300 0.204 0.000 1.227 232 P CA -0.022 63.205 63.100 0.213 0.000 0.781 232 P CB 1.412 33.271 31.700 0.265 0.000 0.906 233 A N 3.021 125.965 122.820 0.206 0.000 2.337 233 A HA 0.659 5.011 4.320 0.053 0.000 0.329 233 A C -0.876 176.901 177.584 0.322 0.000 1.146 233 A CA -0.798 51.394 52.037 0.259 0.000 0.800 233 A CB 1.604 20.774 19.000 0.284 0.000 1.220 233 A HN 0.443 nan 8.150 nan 0.000 0.472 234 V N 3.037 123.132 119.914 0.301 0.000 2.876 234 V HA 0.833 4.985 4.120 0.053 0.000 0.312 234 V C -1.366 174.841 176.094 0.189 0.000 1.085 234 V CA -0.466 61.988 62.300 0.258 0.000 0.945 234 V CB 1.863 33.782 31.823 0.160 0.000 1.017 234 V HN 1.389 nan 8.190 nan 0.000 0.428 235 L N 2.409 123.699 121.223 0.111 0.000 2.502 235 L HA 0.777 5.149 4.340 0.053 0.000 0.253 235 L C -0.797 176.099 176.870 0.043 0.000 1.070 235 L CA -0.656 54.189 54.840 0.009 0.000 0.871 235 L CB 1.685 43.633 42.059 -0.185 0.000 1.487 235 L HN 0.712 nan 8.230 nan 0.000 0.408 236 E N 0.488 120.724 120.200 0.060 0.000 2.171 236 E HA 0.396 4.778 4.350 0.053 0.000 0.271 236 E C -2.091 174.618 176.600 0.181 0.000 0.916 236 E CA -0.702 55.749 56.400 0.085 0.000 0.774 236 E CB 1.560 31.282 29.700 0.036 0.000 1.128 236 E HN 0.689 nan 8.360 nan 0.000 0.403 237 W N 5.731 127.009 121.300 -0.038 0.000 2.756 237 W HA 0.212 4.903 4.660 0.052 0.000 0.333 237 W C -0.994 175.513 176.519 -0.020 0.000 1.025 237 W CA -0.535 56.793 57.345 -0.028 0.000 1.246 237 W CB 0.987 30.433 29.460 -0.024 0.000 1.358 237 W HN 0.805 nan 8.180 nan 0.000 0.444 238 E N 3.474 123.398 120.200 -0.459 0.000 2.228 238 E HA -0.222 4.160 4.350 0.053 0.000 0.213 238 E C 1.016 177.548 176.600 -0.114 0.000 1.282 238 E CA 1.179 57.377 56.400 -0.337 0.000 0.707 238 E CB -1.287 28.179 29.700 -0.389 0.000 1.150 238 E HN 0.983 nan 8.360 nan 0.000 0.362 239 G N -0.052 108.698 108.800 -0.083 0.000 2.162 239 G HA2 -0.355 3.637 3.960 0.053 0.000 0.260 239 G HA3 -0.355 3.637 3.960 0.053 0.000 0.260 239 G C 0.074 174.967 174.900 -0.013 0.000 0.976 239 G CA 0.920 45.994 45.100 -0.044 0.000 0.655 239 G HN 0.307 nan 8.290 nan 0.000 0.533 240 K N -0.628 119.787 120.400 0.024 0.000 2.435 240 K HA 0.726 5.078 4.320 0.053 0.000 0.251 240 K C 0.191 176.814 176.600 0.039 0.000 0.954 240 K CA -0.929 55.377 56.287 0.031 0.000 0.820 240 K CB 1.911 34.449 32.500 0.062 0.000 1.292 240 K HN 0.086 nan 8.250 nan 0.000 0.436 241 L N 3.442 124.655 121.223 -0.016 0.000 2.331 241 L HA 0.400 4.772 4.340 0.053 0.000 0.278 241 L C -0.302 176.556 176.870 -0.020 0.000 1.106 241 L CA -0.380 54.443 54.840 -0.029 0.000 0.824 241 L CB 0.367 42.360 42.059 -0.109 0.000 1.142 241 L HN 0.424 nan 8.230 nan 0.000 0.443 242 I N 4.810 125.417 120.570 0.062 0.000 2.362 242 I HA 0.353 4.554 4.170 0.053 0.000 0.289 242 I C -0.478 175.742 176.117 0.172 0.000 0.994 242 I CA -0.463 60.911 61.300 0.124 0.000 1.158 242 I CB 1.798 39.944 38.000 0.244 0.000 1.315 242 I HN 0.439 nan 8.210 nan 0.000 0.451 243 I N 6.178 126.769 120.570 0.037 0.000 2.355 243 I HA 0.275 4.477 4.170 0.053 0.000 0.288 243 I C 0.030 176.203 176.117 0.094 0.000 0.999 243 I CA -0.264 61.061 61.300 0.041 0.000 1.163 243 I CB 1.070 38.928 38.000 -0.237 0.000 1.316 243 I HN 0.475 nan 8.210 nan 0.000 0.454 244 N N 6.873 125.604 118.700 0.051 0.000 2.469 244 N HA 0.299 5.071 4.740 0.053 0.000 0.253 244 N C -1.224 174.312 175.510 0.044 0.000 0.970 244 N CA -0.337 52.638 53.050 -0.126 0.000 0.940 244 N CB 0.943 39.039 38.487 -0.651 0.000 1.128 244 N HN 0.548 nan 8.380 nan 0.000 0.503 245 N N 2.037 120.806 118.700 0.115 0.000 2.456 245 N HA 0.196 4.968 4.740 0.053 0.000 0.296 245 N C -0.076 175.531 175.510 0.161 0.000 1.102 245 N CA -0.487 52.673 53.050 0.183 0.000 0.924 245 N CB 2.184 40.835 38.487 0.274 0.000 1.186 245 N HN 0.448 nan 8.380 nan 0.000 0.492 246 R N 1.010 121.608 120.500 0.163 0.000 2.491 246 R HA 0.262 4.634 4.340 0.053 0.000 0.283 246 R C -1.126 175.272 176.300 0.164 0.000 1.072 246 R CA -0.029 56.164 56.100 0.156 0.000 1.048 246 R CB 0.407 30.783 30.300 0.127 0.000 0.983 246 R HN 0.272 nan 8.270 nan 0.000 0.450 247 V N 5.042 125.046 119.914 0.150 0.000 2.498 247 V HA 0.129 4.280 4.120 0.053 0.000 0.283 247 V C -1.030 175.135 176.094 0.118 0.000 1.015 247 V CA -0.987 61.396 62.300 0.139 0.000 0.867 247 V CB 1.505 33.406 31.823 0.129 0.000 1.025 247 V HN 0.847 nan 8.190 nan 0.000 0.441 248 D N 3.501 123.972 120.400 0.119 0.000 2.389 248 D HA 0.411 5.082 4.640 0.053 0.000 0.247 248 D C 1.302 177.653 176.300 0.085 0.000 1.128 248 D CA 1.515 55.579 54.000 0.107 0.000 0.884 248 D CB 1.616 42.481 40.800 0.108 0.000 1.194 248 D HN 0.966 nan 8.370 nan 0.000 0.441 249 G N 2.053 110.896 108.800 0.072 0.000 2.162 249 G HA2 -0.304 3.688 3.960 0.053 0.000 0.260 249 G HA3 -0.304 3.688 3.960 0.053 0.000 0.260 249 G C 0.414 175.333 174.900 0.031 0.000 0.976 249 G CA 0.455 45.586 45.100 0.051 0.000 0.655 249 G HN 0.681 nan 8.290 nan 0.000 0.533 250 N N -2.037 116.676 118.700 0.022 0.000 3.227 250 N HA 0.438 5.209 4.740 0.053 0.000 0.241 250 N C -0.161 175.306 175.510 -0.072 0.000 1.480 250 N CA -1.120 51.915 53.050 -0.025 0.000 0.886 250 N CB 0.819 39.310 38.487 0.008 0.000 1.406 250 N HN 0.201 nan 8.380 nan 0.000 0.514 251 R N 1.042 121.406 120.500 -0.227 0.000 2.694 251 R HA 0.231 4.602 4.340 0.053 0.000 0.268 251 R C -0.228 175.990 176.300 -0.136 0.000 1.061 251 R CA 0.028 55.926 56.100 -0.335 0.000 1.133 251 R CB 0.386 30.207 30.300 -0.799 0.000 1.020 251 R HN 0.376 nan 8.270 nan 0.000 0.475 252 R N 2.103 122.573 120.500 -0.049 0.000 2.401 252 R HA 0.118 4.490 4.340 0.053 0.000 0.299 252 R C -0.216 176.151 176.300 0.111 0.000 1.064 252 R CA -0.090 56.044 56.100 0.056 0.000 1.000 252 R CB 0.294 30.625 30.300 0.050 0.000 0.973 252 R HN 0.314 nan 8.270 nan 0.000 0.438 253 L N 3.527 124.818 121.223 0.113 0.000 2.326 253 L HA 0.389 4.760 4.340 0.053 0.000 0.278 253 L C -0.272 176.538 176.870 -0.099 0.000 1.092 253 L CA -0.713 54.120 54.840 -0.011 0.000 0.810 253 L CB 1.419 43.492 42.059 0.024 0.000 1.153 253 L HN 0.292 nan 8.230 nan 0.000 0.439 254 V N 3.049 122.786 119.914 -0.295 0.000 2.656 254 V HA 0.480 4.632 4.120 0.053 0.000 0.307 254 V C -0.964 174.904 176.094 -0.378 0.000 1.051 254 V CA -0.672 61.498 62.300 -0.217 0.000 0.893 254 V CB 1.830 33.553 31.823 -0.168 0.000 0.999 254 V HN 0.432 nan 8.190 nan 0.000 0.426 255 Y N 1.423 121.695 120.300 -0.047 0.000 2.570 255 Y HA 0.654 5.237 4.550 0.055 0.000 0.345 255 Y C 0.175 175.981 175.900 -0.157 0.000 1.014 255 Y CA -0.926 57.131 58.100 -0.072 0.000 1.063 255 Y CB 2.008 40.456 38.460 -0.020 0.000 1.272 255 Y HN 0.554 nan 8.280 nan 0.000 0.477 256 E N 0.432 120.656 120.200 0.040 0.000 2.238 256 E HA 0.583 4.965 4.350 0.053 0.000 0.267 256 E C -1.369 175.184 176.600 -0.079 0.000 0.887 256 E CA -0.912 55.468 56.400 -0.034 0.000 0.769 256 E CB 2.318 32.026 29.700 0.014 0.000 1.187 256 E HN 0.379 nan 8.360 nan 0.000 0.416 257 S N 0.860 116.479 115.700 -0.135 0.000 2.672 257 S HA 0.245 4.747 4.470 0.053 0.000 0.291 257 S C -0.130 174.441 174.600 -0.048 0.000 1.145 257 S CA -0.573 57.565 58.200 -0.104 0.000 1.013 257 S CB 1.270 64.333 63.200 -0.229 0.000 1.017 257 S HN 0.391 nan 8.310 nan 0.000 0.487 258 S N 2.593 118.288 115.700 -0.007 0.000 2.575 258 S HA 0.086 4.588 4.470 0.053 0.000 0.215 258 S C -0.039 174.552 174.600 -0.014 0.000 0.966 258 S CA 0.029 58.226 58.200 -0.005 0.000 0.911 258 S CB -0.149 63.058 63.200 0.010 0.000 0.780 258 S HN 0.868 nan 8.310 nan 0.000 0.514 259 D N -0.158 120.236 120.400 -0.011 0.000 2.963 259 D HA 0.355 5.027 4.640 0.053 0.000 0.361 259 D C 0.207 176.474 176.300 -0.055 0.000 1.317 259 D CA -0.701 53.288 54.000 -0.018 0.000 0.832 259 D CB -0.182 40.629 40.800 0.018 0.000 1.135 259 D HN -0.068 nan 8.370 nan 0.000 0.476 260 M N 1.105 120.637 119.600 -0.113 0.000 2.302 260 M HA -0.144 4.368 4.480 0.053 0.000 0.200 260 M C 1.061 177.282 176.300 -0.132 0.000 0.366 260 M CA 1.078 56.237 55.300 -0.234 0.000 0.440 260 M CB -1.568 30.763 32.600 -0.450 0.000 1.475 260 M HN 0.982 nan 8.290 nan 0.000 0.905 261 G N -0.667 108.141 108.800 0.014 0.000 2.176 261 G HA2 -0.416 3.576 3.960 0.053 0.000 0.253 261 G HA3 -0.416 3.576 3.960 0.053 0.000 0.253 261 G C 0.634 175.761 174.900 0.377 0.000 0.979 261 G CA 0.889 46.149 45.100 0.265 0.000 0.641 261 G HN 0.762 nan 8.290 nan 0.000 0.530 262 K N 0.278 120.800 120.400 0.202 0.000 2.097 262 K HA 0.028 4.380 4.320 0.053 0.000 0.206 262 K C 1.115 177.824 176.600 0.182 0.000 1.049 262 K CA 1.857 58.246 56.287 0.169 0.000 0.933 262 K CB -0.067 32.501 32.500 0.113 0.000 0.717 262 K HN 0.542 nan 8.250 nan 0.000 0.442 263 T N -0.302 114.390 114.554 0.229 0.000 2.881 263 T HA 0.399 4.780 4.350 0.053 0.000 0.290 263 T C -1.855 173.074 174.700 0.382 0.000 1.000 263 T CA -0.925 61.319 62.100 0.240 0.000 0.978 263 T CB 0.488 69.432 68.868 0.126 0.000 0.997 263 T HN 0.178 nan 8.240 nan 0.000 0.443 264 W N 3.386 124.680 121.300 -0.011 0.000 2.570 264 W HA 0.735 5.428 4.660 0.055 0.000 0.337 264 W C -0.870 175.703 176.519 0.090 0.000 1.067 264 W CA -0.912 56.443 57.345 0.017 0.000 1.229 264 W CB 1.599 30.977 29.460 -0.137 0.000 1.355 264 W HN 0.475 nan 8.180 nan 0.000 0.555 265 V N 1.823 121.949 119.914 0.352 0.000 2.686 265 V HA 0.178 4.329 4.120 0.053 0.000 0.306 265 V C -0.224 176.003 176.094 0.221 0.000 1.065 265 V CA -1.473 60.971 62.300 0.239 0.000 0.894 265 V CB 1.782 33.674 31.823 0.115 0.000 1.004 265 V HN 0.502 nan 8.190 nan 0.000 0.424 266 E N 2.902 123.164 120.200 0.104 0.000 2.376 266 E HA 0.340 4.722 4.350 0.053 0.000 0.266 266 E C 0.503 176.960 176.600 -0.238 0.000 1.009 266 E CA -0.074 56.193 56.400 -0.222 0.000 0.902 266 E CB 1.089 30.593 29.700 -0.327 0.000 0.972 266 E HN 0.896 nan 8.360 nan 0.000 0.439 267 A N 6.343 129.000 122.820 -0.272 0.000 3.051 267 A HA 0.096 4.447 4.320 0.053 0.000 0.257 267 A C 0.999 178.425 177.584 -0.263 0.000 1.785 267 A CA -0.089 51.824 52.037 -0.206 0.000 1.420 267 A CB -0.536 18.375 19.000 -0.148 0.000 1.063 267 A HN 0.782 nan 8.150 nan 0.000 0.630 268 L N 0.081 121.070 121.223 -0.389 0.000 2.201 268 L HA -0.070 4.302 4.340 0.053 0.000 0.212 268 L C 2.355 179.064 176.870 -0.268 0.000 1.105 268 L CA 1.245 55.789 54.840 -0.493 0.000 0.775 268 L CB -0.094 41.357 42.059 -1.014 0.000 0.913 268 L HN 0.645 nan 8.230 nan 0.000 0.440 269 G N -1.499 107.213 108.800 -0.147 0.000 3.141 269 G HA2 0.050 4.042 3.960 0.053 0.000 0.218 269 G HA3 0.050 4.042 3.960 0.053 0.000 0.218 269 G C 1.121 176.052 174.900 0.052 0.000 1.170 269 G CA 0.867 46.054 45.100 0.145 0.000 0.769 269 G HN 0.433 nan 8.290 nan 0.000 0.546 270 T N -2.821 111.716 114.554 -0.027 0.000 3.464 270 T HA 0.218 4.600 4.350 0.053 0.000 0.222 270 T C 1.694 176.328 174.700 -0.110 0.000 0.982 270 T CA -0.107 61.946 62.100 -0.079 0.000 1.132 270 T CB 0.085 68.886 68.868 -0.113 0.000 1.226 270 T HN -0.022 nan 8.240 nan 0.000 0.346 271 L N 1.006 122.138 121.223 -0.151 0.000 2.781 271 L HA 0.446 4.818 4.340 0.053 0.000 0.245 271 L C 1.043 177.771 176.870 -0.237 0.000 1.118 271 L CA -0.215 54.492 54.840 -0.222 0.000 0.918 271 L CB 0.674 42.662 42.059 -0.119 0.000 1.246 271 L HN 0.275 nan 8.230 nan 0.000 0.526 272 S N -0.320 115.255 115.700 -0.208 0.000 2.549 272 S HA 0.058 4.559 4.470 0.053 0.000 0.286 272 S C 0.917 175.451 174.600 -0.110 0.000 1.314 272 S CA 0.313 58.388 58.200 -0.209 0.000 1.062 272 S CB -0.217 62.785 63.200 -0.330 0.000 0.865 272 S HN 0.526 nan 8.310 nan 0.000 0.498 273 H N 0.439 119.376 119.070 -0.221 0.000 3.631 273 H HA -0.181 4.406 4.556 0.053 0.000 0.202 273 H C 1.067 176.221 175.328 -0.289 0.000 1.029 273 H CA 0.677 56.600 56.048 -0.208 0.000 1.208 273 H CB -1.616 28.042 29.762 -0.173 0.000 1.124 273 H HN 0.425 nan 8.280 nan 0.000 0.329 274 V N -0.166 119.545 119.914 -0.340 0.000 2.307 274 V HA -0.177 3.975 4.120 0.053 0.000 0.245 274 V C 1.441 177.118 176.094 -0.694 0.000 1.045 274 V CA 1.768 63.676 62.300 -0.652 0.000 1.024 274 V CB -0.104 31.014 31.823 -1.175 0.000 0.651 274 V HN 0.295 nan 8.190 nan 0.000 0.449 275 W N -1.047 119.994 121.300 -0.432 0.000 2.497 275 W HA 0.620 5.311 4.660 0.053 0.000 0.359 275 W C 0.337 176.637 176.519 -0.365 0.000 1.131 275 W CA -0.054 57.001 57.345 -0.483 0.000 1.280 275 W CB 1.197 30.282 29.460 -0.625 0.000 1.319 275 W HN -0.012 nan 8.180 nan 0.000 0.626 276 T N -0.545 113.929 114.554 -0.134 0.000 2.645 276 T HA 0.113 4.495 4.350 0.053 0.000 0.300 276 T C 0.666 175.277 174.700 -0.148 0.000 1.210 276 T CA -0.493 61.525 62.100 -0.137 0.000 1.034 276 T CB 0.590 69.380 68.868 -0.130 0.000 1.537 276 T HN 0.503 nan 8.240 nan 0.000 0.492 277 N N 0.468 119.165 118.700 -0.006 0.000 2.373 277 N HA 0.174 4.945 4.740 0.053 0.000 0.181 277 N C 0.168 175.752 175.510 0.124 0.000 1.082 277 N CA 0.281 53.409 53.050 0.130 0.000 0.885 277 N CB 0.396 38.958 38.487 0.126 0.000 0.977 277 N HN 0.743 nan 8.380 nan 0.000 0.462 278 S N -1.488 114.247 115.700 0.058 0.000 2.688 278 S HA 0.207 4.709 4.470 0.053 0.000 0.269 278 S C -2.851 171.758 174.600 0.014 0.000 1.060 278 S CA -0.819 57.410 58.200 0.049 0.000 0.844 278 S CB 1.477 64.703 63.200 0.044 0.000 1.095 278 S HN -0.285 nan 8.310 nan 0.000 0.466 279 P HA -0.090 nan 4.420 nan 0.000 0.216 279 P C 1.517 178.805 177.300 -0.019 0.000 1.150 279 P CA 2.591 65.686 63.100 -0.008 0.000 0.843 279 P CB -0.334 31.363 31.700 -0.005 0.000 0.787 280 T N -6.362 108.185 114.554 -0.012 0.000 3.107 280 T HA 0.175 4.557 4.350 0.053 0.000 0.249 280 T C 1.050 175.737 174.700 -0.022 0.000 1.096 280 T CA 0.460 62.549 62.100 -0.018 0.000 1.012 280 T CB -0.783 68.080 68.868 -0.009 0.000 0.977 280 T HN -0.032 nan 8.240 nan 0.000 0.527 281 S N 1.686 117.374 115.700 -0.021 0.000 2.981 281 S HA -0.200 4.302 4.470 0.053 0.000 0.274 281 S C 0.851 175.447 174.600 -0.008 0.000 1.297 281 S CA 1.080 59.262 58.200 -0.029 0.000 1.266 281 S CB -2.086 61.072 63.200 -0.071 0.000 1.542 281 S HN 0.920 nan 8.310 nan 0.000 0.674 282 N N 0.607 119.311 118.700 0.008 0.000 2.238 282 N HA 0.106 4.878 4.740 0.053 0.000 0.222 282 N C 0.028 175.563 175.510 0.040 0.000 1.133 282 N CA -0.273 52.789 53.050 0.021 0.000 0.854 282 N CB 0.212 38.709 38.487 0.016 0.000 1.041 282 N HN 0.400 nan 8.380 nan 0.000 0.510 283 Q N 0.474 120.304 119.800 0.051 0.000 2.194 283 Q HA 0.179 4.550 4.340 0.053 0.000 0.245 283 Q C 0.213 176.272 176.000 0.098 0.000 0.993 283 Q CA -0.583 55.264 55.803 0.074 0.000 0.930 283 Q CB 1.289 30.069 28.738 0.071 0.000 1.238 283 Q HN 0.520 nan 8.270 nan 0.000 0.486 284 Q N 0.442 120.318 119.800 0.127 0.000 2.392 284 Q HA 0.140 4.511 4.340 0.053 0.000 0.262 284 Q C -0.689 175.402 176.000 0.152 0.000 1.003 284 Q CA -0.086 55.804 55.803 0.145 0.000 0.888 284 Q CB 0.700 29.547 28.738 0.181 0.000 1.260 284 Q HN 0.378 nan 8.270 nan 0.000 0.435 285 D N 0.504 120.993 120.400 0.149 0.000 2.511 285 D HA 0.441 5.113 4.640 0.053 0.000 0.276 285 D C -1.266 175.102 176.300 0.114 0.000 1.220 285 D CA -0.778 53.321 54.000 0.165 0.000 1.077 285 D CB 1.662 42.565 40.800 0.170 0.000 1.126 285 D HN 0.681 nan 8.370 nan 0.000 0.583 286 C N 0.644 119.963 119.300 0.032 0.000 2.994 286 C HA 0.388 4.880 4.460 0.053 0.000 0.305 286 C C -0.516 174.268 174.990 -0.343 0.000 1.251 286 C CA -0.669 58.230 59.018 -0.198 0.000 1.478 286 C CB 1.410 28.960 27.740 -0.317 0.000 1.922 286 C HN 0.602 nan 8.230 nan 0.000 0.472 287 Q N 2.503 121.915 119.800 -0.646 0.000 2.432 287 Q HA 0.361 4.733 4.340 0.053 0.000 0.264 287 Q C -0.744 174.987 176.000 -0.448 0.000 1.035 287 Q CA 0.999 56.449 55.803 -0.588 0.000 0.908 287 Q CB 0.969 29.068 28.738 -1.065 0.000 1.280 287 Q HN 0.858 nan 8.270 nan 0.000 0.455 288 S N 1.293 116.841 115.700 -0.253 0.000 2.549 288 S HA 0.396 4.898 4.470 0.053 0.000 0.280 288 S C -1.078 173.453 174.600 -0.115 0.000 1.109 288 S CA -0.685 57.341 58.200 -0.290 0.000 0.905 288 S CB 1.739 64.733 63.200 -0.344 0.000 1.081 288 S HN 0.720 nan 8.310 nan 0.000 0.477 289 S N 1.425 117.067 115.700 -0.097 0.000 2.585 289 S HA 0.810 5.312 4.470 0.053 0.000 0.277 289 S C -1.029 173.698 174.600 0.212 0.000 1.241 289 S CA -0.504 57.749 58.200 0.087 0.000 1.041 289 S CB 0.719 63.983 63.200 0.107 0.000 0.987 289 S HN 0.542 nan 8.310 nan 0.000 0.512 290 F N 2.020 122.032 119.950 0.104 0.000 2.831 290 F HA 0.612 5.170 4.527 0.052 0.000 0.346 290 F C -1.534 174.356 175.800 0.150 0.000 1.224 290 F CA -1.080 57.017 58.000 0.161 0.000 1.048 290 F CB 1.256 40.368 39.000 0.187 0.000 1.339 290 F HN 0.560 nan 8.300 nan 0.000 0.514 291 V N 4.770 124.697 119.914 0.021 0.000 2.686 291 V HA 0.800 4.952 4.120 0.053 0.000 0.306 291 V C -0.333 175.745 176.094 -0.027 0.000 1.065 291 V CA -0.855 61.455 62.300 0.017 0.000 0.894 291 V CB 1.777 33.680 31.823 0.132 0.000 1.004 291 V HN 0.923 nan 8.190 nan 0.000 0.424 292 A N 4.321 127.138 122.820 -0.005 0.000 2.331 292 A HA 0.893 5.245 4.320 0.053 0.000 0.283 292 A C -0.273 177.388 177.584 0.127 0.000 1.142 292 A CA -0.205 51.879 52.037 0.078 0.000 0.812 292 A CB 1.066 20.142 19.000 0.126 0.000 1.074 292 A HN 1.630 nan 8.150 nan 0.000 0.497 293 V N -0.590 119.411 119.914 0.146 0.000 3.182 293 V HA 0.888 5.040 4.120 0.053 0.000 0.308 293 V C -0.428 175.745 176.094 0.132 0.000 1.240 293 V CA -0.608 61.782 62.300 0.149 0.000 1.063 293 V CB 1.606 33.486 31.823 0.095 0.000 1.076 293 V HN 0.733 nan 8.190 nan 0.000 0.446 294 T N 2.544 117.184 114.554 0.142 0.000 2.809 294 T HA 0.751 5.133 4.350 0.053 0.000 0.284 294 T C -0.617 174.137 174.700 0.090 0.000 0.992 294 T CA 0.007 62.180 62.100 0.122 0.000 0.957 294 T CB 0.753 69.700 68.868 0.131 0.000 0.942 294 T HN 0.656 nan 8.240 nan 0.000 0.439 295 I N 2.445 123.029 120.570 0.025 0.000 2.466 295 I HA 0.347 4.549 4.170 0.053 0.000 0.289 295 I C 0.441 176.574 176.117 0.025 0.000 1.026 295 I CA -0.750 60.532 61.300 -0.029 0.000 1.078 295 I CB 1.848 39.745 38.000 -0.172 0.000 1.249 295 I HN 0.655 nan 8.210 nan 0.000 0.429 296 E N 4.651 124.883 120.200 0.052 0.000 2.360 296 E HA -0.248 4.134 4.350 0.053 0.000 0.238 296 E C 0.981 177.613 176.600 0.054 0.000 1.186 296 E CA 1.065 57.492 56.400 0.044 0.000 0.719 296 E CB -1.081 28.623 29.700 0.007 0.000 1.236 296 E HN 1.125 nan 8.360 nan 0.000 0.386 297 G N -0.427 108.415 108.800 0.070 0.000 2.184 297 G HA2 -0.418 3.574 3.960 0.053 0.000 0.264 297 G HA3 -0.418 3.574 3.960 0.053 0.000 0.264 297 G C 0.244 175.188 174.900 0.073 0.000 0.975 297 G CA 0.692 45.832 45.100 0.066 0.000 0.642 297 G HN 0.521 nan 8.290 nan 0.000 0.536 298 K N 0.018 120.472 120.400 0.089 0.000 2.221 298 K HA 0.662 5.013 4.320 0.053 0.000 0.258 298 K C 0.091 176.778 176.600 0.144 0.000 0.944 298 K CA -1.187 55.173 56.287 0.122 0.000 0.823 298 K CB 0.853 33.456 32.500 0.172 0.000 1.113 298 K HN 0.033 nan 8.250 nan 0.000 0.431 299 R N 2.776 123.362 120.500 0.144 0.000 2.347 299 R HA 0.224 4.596 4.340 0.053 0.000 0.304 299 R C -0.831 175.729 176.300 0.433 0.000 1.072 299 R CA -0.176 56.037 56.100 0.189 0.000 0.980 299 R CB 0.338 30.630 30.300 -0.013 0.000 0.986 299 R HN 0.483 nan 8.270 nan 0.000 0.448 300 V N 0.829 120.991 119.914 0.412 0.000 3.182 300 V HA 0.651 4.803 4.120 0.053 0.000 0.308 300 V C -0.429 175.824 176.094 0.265 0.000 1.240 300 V CA -1.213 61.328 62.300 0.401 0.000 1.063 300 V CB 2.382 34.392 31.823 0.312 0.000 1.076 300 V HN 0.622 nan 8.190 nan 0.000 0.446 301 M N 1.938 121.606 119.600 0.114 0.000 2.383 301 M HA 0.629 5.141 4.480 0.053 0.000 0.325 301 M C -1.271 175.126 176.300 0.162 0.000 1.092 301 M CA -0.422 54.891 55.300 0.023 0.000 0.961 301 M CB 2.050 34.541 32.600 -0.180 0.000 1.672 301 M HN 0.532 nan 8.290 nan 0.000 0.438 302 L N 2.936 124.255 121.223 0.161 0.000 2.317 302 L HA 0.640 5.011 4.340 0.053 0.000 0.281 302 L C -1.220 175.880 176.870 0.384 0.000 1.024 302 L CA -0.568 54.425 54.840 0.256 0.000 0.810 302 L CB 1.412 43.582 42.059 0.186 0.000 1.240 302 L HN 0.586 nan 8.230 nan 0.000 0.427 303 F N 2.300 122.387 119.950 0.229 0.000 2.547 303 F HA 0.596 5.155 4.527 0.052 0.000 0.316 303 F C -0.177 175.712 175.800 0.148 0.000 1.121 303 F CA -0.347 57.723 58.000 0.117 0.000 0.911 303 F CB 1.973 40.791 39.000 -0.303 0.000 1.179 303 F HN 0.482 nan 8.300 nan 0.000 0.443 304 T N 1.964 116.191 114.554 -0.545 0.000 2.885 304 T HA 0.659 5.041 4.350 0.053 0.000 0.285 304 T C -1.410 172.921 174.700 -0.614 0.000 1.019 304 T CA -0.625 61.267 62.100 -0.347 0.000 1.010 304 T CB 1.716 70.500 68.868 -0.139 0.000 1.022 304 T HN 0.927 nan 8.240 nan 0.000 0.466 305 H N 0.709 119.629 119.070 -0.250 0.000 3.114 305 H HA 0.411 4.998 4.556 0.053 0.000 0.325 305 H C -3.206 172.188 175.328 0.110 0.000 1.206 305 H CA -1.120 54.836 56.048 -0.153 0.000 1.316 305 H CB 2.024 31.647 29.762 -0.232 0.000 1.981 305 H HN 0.507 nan 8.280 nan 0.000 0.527 306 P HA 0.074 nan 4.420 nan 0.000 0.274 306 P C 0.611 178.141 177.300 0.384 0.000 1.231 306 P CA -0.200 63.019 63.100 0.198 0.000 0.790 306 P CB 1.013 32.742 31.700 0.049 0.000 0.951 307 L N 1.072 122.445 121.223 0.250 0.000 2.179 307 L HA -0.054 4.318 4.340 0.053 0.000 0.208 307 L C 0.681 177.637 176.870 0.143 0.000 1.096 307 L CA 0.801 55.754 54.840 0.188 0.000 0.779 307 L CB -0.751 41.368 42.059 0.101 0.000 0.922 307 L HN 0.526 nan 8.230 nan 0.000 0.443 308 N N -0.000 118.767 118.700 0.113 0.000 2.738 308 N HA -0.210 4.561 4.740 0.053 0.000 0.249 308 N C 0.584 176.116 175.510 0.038 0.000 1.047 308 N CA 0.257 53.349 53.050 0.070 0.000 0.707 308 N CB -1.177 37.371 38.487 0.102 0.000 0.937 308 N HN 0.260 nan 8.380 nan 0.000 0.545 309 L N -0.361 120.878 121.223 0.027 0.000 2.275 309 L HA -0.126 4.246 4.340 0.053 0.000 0.215 309 L C 1.967 178.829 176.870 -0.013 0.000 1.119 309 L CA 1.085 55.931 54.840 0.010 0.000 0.790 309 L CB -0.256 41.809 42.059 0.010 0.000 0.919 309 L HN 0.338 nan 8.230 nan 0.000 0.443 310 K N -0.002 120.379 120.400 -0.033 0.000 2.305 310 K HA 0.184 4.535 4.320 0.053 0.000 0.199 310 K C 0.945 177.492 176.600 -0.089 0.000 1.047 310 K CA 0.475 56.721 56.287 -0.069 0.000 0.976 310 K CB 0.186 32.623 32.500 -0.105 0.000 0.765 310 K HN 0.331 nan 8.250 nan 0.000 0.474 311 G N 1.351 110.112 108.800 -0.065 0.000 2.756 311 G HA2 -0.258 3.734 3.960 0.053 0.000 0.678 311 G HA3 -0.258 3.734 3.960 0.053 0.000 0.678 311 G C -0.454 174.386 174.900 -0.101 0.000 1.349 311 G CA -0.330 44.740 45.100 -0.050 0.000 0.847 311 G HN 0.293 nan 8.290 nan 0.000 0.548 312 R N -2.097 118.396 120.500 -0.013 0.000 3.835 312 R HA -0.313 4.059 4.340 0.053 0.000 0.455 312 R C 1.609 177.981 176.300 0.120 0.000 0.241 312 R CA 2.989 59.131 56.100 0.070 0.000 1.439 312 R CB -1.468 28.833 30.300 0.001 0.000 0.987 312 R HN 1.720 nan 8.270 nan 0.000 0.570 313 W N 0.266 121.628 121.300 0.105 0.000 3.316 313 W HA 0.296 4.989 4.660 0.054 0.000 0.327 313 W C 1.305 177.899 176.519 0.125 0.000 1.232 313 W CA -0.388 57.036 57.345 0.132 0.000 1.805 313 W CB 0.118 29.677 29.460 0.164 0.000 1.090 313 W HN 0.242 nan 8.180 nan 0.000 0.654 314 M N 1.656 120.954 119.600 -0.504 0.000 2.108 314 M HA -0.067 4.445 4.480 0.053 0.000 0.261 314 M C 1.090 177.350 176.300 -0.066 0.000 1.066 314 M CA 1.246 56.340 55.300 -0.344 0.000 1.107 314 M CB -1.851 30.548 32.600 -0.335 0.000 1.356 314 M HN 0.222 nan 8.290 nan 0.000 0.406 315 R N 2.364 122.855 120.500 -0.014 0.000 3.264 315 R HA -0.126 4.246 4.340 0.053 0.000 0.251 315 R C -0.541 175.780 176.300 0.034 0.000 0.971 315 R CA 0.721 56.847 56.100 0.044 0.000 0.658 315 R CB -1.922 28.436 30.300 0.097 0.000 1.095 315 R HN 0.675 nan 8.270 nan 0.000 0.443 316 D N 0.898 121.308 120.400 0.016 0.000 2.358 316 D HA 0.173 4.845 4.640 0.053 0.000 0.244 316 D C -0.092 176.237 176.300 0.048 0.000 1.163 316 D CA -0.571 53.441 54.000 0.019 0.000 0.945 316 D CB 0.529 41.330 40.800 0.002 0.000 1.152 316 D HN 0.252 nan 8.370 nan 0.000 0.451 317 R N -0.906 119.619 120.500 0.043 0.000 3.076 317 R HA -0.205 4.167 4.340 0.053 0.000 0.261 317 R C -0.572 175.796 176.300 0.113 0.000 0.930 317 R CA -0.231 55.915 56.100 0.077 0.000 0.649 317 R CB -2.090 28.286 30.300 0.126 0.000 1.350 317 R HN 0.426 nan 8.270 nan 0.000 0.453 318 L N 3.028 124.244 121.223 -0.011 0.000 2.418 318 L HA 0.149 4.521 4.340 0.053 0.000 0.274 318 L C 0.548 177.362 176.870 -0.093 0.000 1.135 318 L CA 0.563 55.371 54.840 -0.054 0.000 0.870 318 L CB 0.263 42.181 42.059 -0.236 0.000 1.154 318 L HN 0.228 nan 8.230 nan 0.000 0.462 319 H N 4.277 123.245 119.070 -0.171 0.000 2.595 319 H HA 0.507 5.094 4.556 0.053 0.000 0.346 319 H C -1.134 173.971 175.328 -0.372 0.000 1.181 319 H CA -0.901 54.892 56.048 -0.425 0.000 1.242 319 H CB 2.274 31.502 29.762 -0.891 0.000 1.652 319 H HN 0.522 nan 8.280 nan 0.000 0.548 320 L N 1.995 122.985 121.223 -0.388 0.000 2.356 320 L HA 0.335 4.707 4.340 0.053 0.000 0.277 320 L C -1.565 175.258 176.870 -0.078 0.000 0.996 320 L CA -0.453 54.296 54.840 -0.151 0.000 0.822 320 L CB 1.139 43.051 42.059 -0.245 0.000 1.256 320 L HN 0.505 nan 8.230 nan 0.000 0.413 321 W N 5.794 127.225 121.300 0.218 0.000 2.799 321 W HA 0.566 5.258 4.660 0.053 0.000 0.349 321 W C -0.627 176.102 176.519 0.351 0.000 1.100 321 W CA -0.908 56.645 57.345 0.346 0.000 1.174 321 W CB 2.226 32.030 29.460 0.573 0.000 1.427 321 W HN 0.438 nan 8.180 nan 0.000 0.547 322 M N 2.392 122.379 119.600 0.644 0.000 2.327 322 M HA 0.450 4.961 4.480 0.053 0.000 0.298 322 M C -1.252 175.413 176.300 0.608 0.000 1.065 322 M CA 0.104 55.711 55.300 0.512 0.000 0.916 322 M CB 2.310 35.137 32.600 0.378 0.000 1.630 322 M HN 0.329 nan 8.290 nan 0.000 0.442 323 T N 1.569 116.401 114.554 0.462 0.000 2.933 323 T HA 0.362 4.744 4.350 0.053 0.000 0.305 323 T C -0.664 174.123 174.700 0.144 0.000 1.092 323 T CA -0.595 61.708 62.100 0.338 0.000 1.008 323 T CB 1.134 70.148 68.868 0.242 0.000 1.102 323 T HN 0.805 nan 8.240 nan 0.000 0.469 324 D N 3.222 123.649 120.400 0.044 0.000 2.427 324 D HA 0.149 4.821 4.640 0.053 0.000 0.224 324 D C 0.781 176.964 176.300 -0.195 0.000 1.157 324 D CA -0.262 53.744 54.000 0.011 0.000 0.828 324 D CB -0.721 40.158 40.800 0.131 0.000 0.974 324 D HN 0.814 nan 8.370 nan 0.000 0.498 325 N N -0.429 118.054 118.700 -0.362 0.000 2.909 325 N HA -0.263 4.509 4.740 0.053 0.000 0.242 325 N C 0.378 175.752 175.510 -0.226 0.000 0.975 325 N CA 1.201 54.045 53.050 -0.345 0.000 0.921 325 N CB -0.317 37.919 38.487 -0.418 0.000 1.112 325 N HN 0.434 nan 8.380 nan 0.000 0.581 326 Q N -0.635 119.013 119.800 -0.254 0.000 2.361 326 Q HA 0.224 4.596 4.340 0.053 0.000 0.182 326 Q C -0.109 175.696 176.000 -0.325 0.000 0.650 326 Q CA -0.215 55.389 55.803 -0.332 0.000 0.842 326 Q CB 0.346 28.867 28.738 -0.360 0.000 1.211 326 Q HN 0.107 nan 8.270 nan 0.000 0.502 327 R N 0.968 121.217 120.500 -0.419 0.000 2.500 327 R HA 0.489 4.861 4.340 0.053 0.000 0.275 327 R C -0.558 175.720 176.300 -0.037 0.000 1.051 327 R CA 0.206 56.127 56.100 -0.298 0.000 1.088 327 R CB 0.834 30.730 30.300 -0.673 0.000 1.063 327 R HN 0.154 nan 8.270 nan 0.000 0.511 328 I N 2.478 123.167 120.570 0.199 0.000 2.476 328 I HA 0.247 4.449 4.170 0.053 0.000 0.281 328 I C -1.161 175.281 176.117 0.543 0.000 1.040 328 I CA -0.566 60.936 61.300 0.337 0.000 1.094 328 I CB 1.107 39.179 38.000 0.121 0.000 1.219 328 I HN 0.415 nan 8.210 nan 0.000 0.450 329 F N 5.811 126.091 119.950 0.549 0.000 2.420 329 F HA 0.376 4.934 4.527 0.053 0.000 0.342 329 F C 0.238 176.294 175.800 0.428 0.000 1.113 329 F CA -0.473 57.809 58.000 0.470 0.000 1.059 329 F CB 1.053 40.305 39.000 0.420 0.000 1.128 329 F HN 0.355 nan 8.300 nan 0.000 0.475 330 D N 5.374 125.524 120.400 -0.418 0.000 2.411 330 D HA 0.149 4.821 4.640 0.053 0.000 0.225 330 D C 0.841 176.688 176.300 -0.754 0.000 1.156 330 D CA -0.021 53.646 54.000 -0.554 0.000 0.874 330 D CB 1.122 41.672 40.800 -0.416 0.000 1.034 330 D HN 0.382 nan 8.370 nan 0.000 0.502 331 V N 3.335 123.053 119.914 -0.326 0.000 2.490 331 V HA 0.187 4.338 4.120 0.053 0.000 0.250 331 V C 1.537 177.491 176.094 -0.233 0.000 1.061 331 V CA 1.516 63.772 62.300 -0.073 0.000 1.064 331 V CB -1.171 30.649 31.823 -0.005 0.000 0.670 331 V HN 0.862 nan 8.190 nan 0.000 0.461 332 G N -1.034 107.533 108.800 -0.389 0.000 2.325 332 G HA2 0.037 4.029 3.960 0.053 0.000 0.285 332 G HA3 0.037 4.029 3.960 0.053 0.000 0.285 332 G C -1.033 173.328 174.900 -0.897 0.000 1.303 332 G CA -0.326 44.490 45.100 -0.472 0.000 0.970 332 G HN 0.181 nan 8.290 nan 0.000 0.490 333 Q N 0.328 119.592 119.800 -0.892 0.000 2.322 333 Q HA 0.535 4.907 4.340 0.053 0.000 0.256 333 Q C 1.506 177.260 176.000 -0.409 0.000 0.960 333 Q CA -0.272 55.017 55.803 -0.856 0.000 0.934 333 Q CB 0.653 29.075 28.738 -0.528 0.000 1.200 333 Q HN 0.732 nan 8.270 nan 0.000 0.435 334 I N 0.373 120.748 120.570 -0.325 0.000 3.228 334 I HA 0.097 4.298 4.170 0.053 0.000 0.279 334 I C 0.642 176.774 176.117 0.025 0.000 1.221 334 I CA -0.156 61.084 61.300 -0.100 0.000 1.458 334 I CB 0.128 38.108 38.000 -0.033 0.000 1.105 334 I HN 0.398 nan 8.210 nan 0.000 0.445 335 S N 1.837 117.492 115.700 -0.074 0.000 2.641 335 S HA 0.504 5.006 4.470 0.053 0.000 0.261 335 S C -0.047 174.573 174.600 0.033 0.000 1.257 335 S CA -0.553 57.661 58.200 0.024 0.000 0.983 335 S CB 1.232 64.411 63.200 -0.035 0.000 0.990 335 S HN 0.267 nan 8.310 nan 0.000 0.572 336 I N 1.552 122.158 120.570 0.061 0.000 2.362 336 I HA 0.530 4.732 4.170 0.053 0.000 0.289 336 I C 1.222 177.350 176.117 0.020 0.000 0.994 336 I CA -0.056 61.265 61.300 0.035 0.000 1.158 336 I CB 0.584 38.611 38.000 0.044 0.000 1.315 336 I HN 1.137 nan 8.210 nan 0.000 0.451 337 G N 5.943 114.747 108.800 0.006 0.000 2.596 337 G HA2 -0.339 3.653 3.960 0.053 0.000 0.295 337 G HA3 -0.339 3.653 3.960 0.053 0.000 0.295 337 G C 0.400 175.305 174.900 0.007 0.000 1.240 337 G CA 0.575 45.677 45.100 0.005 0.000 0.985 337 G HN 0.863 nan 8.290 nan 0.000 0.555 338 D N 1.832 122.235 120.400 0.005 0.000 2.427 338 D HA 0.139 4.811 4.640 0.053 0.000 0.224 338 D C 0.950 177.250 176.300 0.000 0.000 1.157 338 D CA 0.714 54.715 54.000 0.003 0.000 0.828 338 D CB -0.582 40.217 40.800 -0.003 0.000 0.974 338 D HN 0.962 nan 8.370 nan 0.000 0.498 339 E N 0.468 120.674 120.200 0.009 0.000 2.418 339 E HA -0.016 4.366 4.350 0.053 0.000 0.261 339 E C -0.355 176.250 176.600 0.009 0.000 1.070 339 E CA -0.389 56.017 56.400 0.009 0.000 0.931 339 E CB 0.380 30.098 29.700 0.028 0.000 0.954 339 E HN -0.084 nan 8.360 nan 0.000 0.439 340 N N 1.756 120.451 118.700 -0.007 0.000 2.470 340 N HA 0.021 4.792 4.740 0.053 0.000 0.268 340 N C -0.109 175.428 175.510 0.044 0.000 1.136 340 N CA 0.144 53.191 53.050 -0.006 0.000 0.961 340 N CB 1.525 39.982 38.487 -0.050 0.000 1.067 340 N HN 0.646 nan 8.380 nan 0.000 0.468 341 S N 1.380 117.126 115.700 0.077 0.000 3.976 341 S HA 0.848 5.350 4.470 0.053 0.000 0.189 341 S C 0.809 175.533 174.600 0.208 0.000 0.917 341 S CA 0.355 58.644 58.200 0.149 0.000 1.552 341 S CB 0.589 63.822 63.200 0.054 0.000 0.676 341 S HN 0.658 nan 8.310 nan 0.000 0.738 342 G N -0.207 108.706 108.800 0.188 0.000 2.350 342 G HA2 0.179 4.171 3.960 0.053 0.000 0.085 342 G HA3 0.179 4.171 3.960 0.053 0.000 0.085 342 G C -1.513 173.525 174.900 0.230 0.000 1.159 342 G CA -0.588 44.675 45.100 0.271 0.000 1.146 342 G HN 0.543 nan 8.290 nan 0.000 0.449 343 Y N 2.018 122.365 120.300 0.080 0.000 2.457 343 Y HA 0.526 5.107 4.550 0.052 0.000 0.341 343 Y C 1.271 177.213 175.900 0.070 0.000 1.240 343 Y CA 0.301 58.422 58.100 0.035 0.000 1.437 343 Y CB 1.302 39.777 38.460 0.025 0.000 1.328 343 Y HN 0.898 nan 8.280 nan 0.000 0.588 344 S N -0.152 115.641 115.700 0.156 0.000 2.671 344 S HA 0.812 5.314 4.470 0.053 0.000 0.277 344 S C -0.921 173.767 174.600 0.147 0.000 1.165 344 S CA -0.874 57.426 58.200 0.166 0.000 0.822 344 S CB 2.050 65.299 63.200 0.083 0.000 1.150 344 S HN 0.615 nan 8.310 nan 0.000 0.479 345 S N -0.199 115.612 115.700 0.185 0.000 2.535 345 S HA 0.700 5.202 4.470 0.053 0.000 0.272 345 S C -1.318 173.427 174.600 0.241 0.000 1.149 345 S CA -0.224 58.090 58.200 0.189 0.000 0.888 345 S CB 1.089 64.397 63.200 0.180 0.000 1.110 345 S HN 1.976 nan 8.310 nan 0.000 0.463 346 V N 2.238 122.302 119.914 0.251 0.000 2.823 346 V HA 1.000 5.152 4.120 0.053 0.000 0.312 346 V C -1.173 175.109 176.094 0.313 0.000 1.072 346 V CA -0.892 61.599 62.300 0.318 0.000 0.937 346 V CB 1.434 33.450 31.823 0.321 0.000 1.013 346 V HN 1.022 nan 8.190 nan 0.000 0.430 347 L N 3.753 125.203 121.223 0.379 0.000 2.493 347 L HA 0.677 5.049 4.340 0.053 0.000 0.265 347 L C -1.950 175.215 176.870 0.491 0.000 0.954 347 L CA -0.472 54.598 54.840 0.383 0.000 0.844 347 L CB 2.080 44.342 42.059 0.339 0.000 1.302 347 L HN 0.877 nan 8.230 nan 0.000 0.405 348 Y N 4.962 125.419 120.300 0.262 0.000 2.334 348 Y HA 0.658 5.240 4.550 0.053 0.000 0.336 348 Y C -0.882 175.153 175.900 0.224 0.000 0.960 348 Y CA -0.506 57.731 58.100 0.230 0.000 1.164 348 Y CB 0.939 39.499 38.460 0.167 0.000 1.155 348 Y HN 0.756 nan 8.280 nan 0.000 0.478 349 K N 5.236 125.624 120.400 -0.019 0.000 2.513 349 K HA 0.296 4.648 4.320 0.053 0.000 0.251 349 K C -1.114 175.416 176.600 -0.118 0.000 0.939 349 K CA -0.489 55.779 56.287 -0.032 0.000 0.793 349 K CB 1.073 33.648 32.500 0.124 0.000 1.241 349 K HN 0.694 nan 8.250 nan 0.000 0.431 350 D N 3.806 124.107 120.400 -0.164 0.000 2.686 350 D HA -0.210 4.462 4.640 0.053 0.000 0.235 350 D C -0.299 175.890 176.300 -0.185 0.000 1.160 350 D CA 1.966 55.894 54.000 -0.121 0.000 0.645 350 D CB -0.964 39.820 40.800 -0.026 0.000 1.039 350 D HN 1.026 nan 8.370 nan 0.000 0.423 351 D N -0.994 119.136 120.400 -0.451 0.000 2.837 351 D HA -0.237 4.435 4.640 0.053 0.000 0.230 351 D C -0.699 175.512 176.300 -0.149 0.000 1.152 351 D CA 1.406 55.187 54.000 -0.366 0.000 0.736 351 D CB -0.491 40.269 40.800 -0.067 0.000 1.084 351 D HN 0.537 nan 8.370 nan 0.000 0.429 352 K N -0.350 119.925 120.400 -0.209 0.000 2.422 352 K HA 0.612 4.963 4.320 0.053 0.000 0.251 352 K C -1.107 175.412 176.600 -0.134 0.000 0.933 352 K CA -1.146 55.066 56.287 -0.124 0.000 0.798 352 K CB 1.894 34.318 32.500 -0.127 0.000 1.238 352 K HN 0.053 nan 8.250 nan 0.000 0.428 353 L N 3.285 124.407 121.223 -0.168 0.000 2.317 353 L HA 0.539 4.911 4.340 0.053 0.000 0.281 353 L C -1.675 174.983 176.870 -0.353 0.000 1.024 353 L CA -0.114 54.749 54.840 0.038 0.000 0.810 353 L CB 0.659 42.887 42.059 0.282 0.000 1.240 353 L HN 0.539 nan 8.230 nan 0.000 0.427 354 Y N 1.736 122.110 120.300 0.125 0.000 2.609 354 Y HA 0.716 5.297 4.550 0.053 0.000 0.342 354 Y C -0.168 175.594 175.900 -0.231 0.000 1.058 354 Y CA -0.845 57.099 58.100 -0.259 0.000 1.055 354 Y CB 2.203 40.620 38.460 -0.071 0.000 1.292 354 Y HN 0.548 nan 8.280 nan 0.000 0.476 355 S N 1.356 116.836 115.700 -0.367 0.000 2.548 355 S HA 0.680 5.182 4.470 0.053 0.000 0.286 355 S C -2.025 172.639 174.600 0.107 0.000 1.098 355 S CA -0.654 57.569 58.200 0.039 0.000 0.930 355 S CB 0.980 64.317 63.200 0.229 0.000 1.070 355 S HN 0.673 nan 8.310 nan 0.000 0.480 356 L N 4.854 126.207 121.223 0.215 0.000 2.325 356 L HA 0.665 5.037 4.340 0.053 0.000 0.281 356 L C -1.100 175.889 176.870 0.200 0.000 1.004 356 L CA -0.420 54.525 54.840 0.175 0.000 0.823 356 L CB 1.088 43.244 42.059 0.161 0.000 1.236 356 L HN 1.083 nan 8.230 nan 0.000 0.415 357 H N 1.264 120.393 119.070 0.098 0.000 3.016 357 H HA 0.444 5.032 4.556 0.053 0.000 0.362 357 H C -1.298 174.092 175.328 0.103 0.000 1.233 357 H CA -0.984 55.126 56.048 0.102 0.000 1.124 357 H CB 0.957 30.788 29.762 0.115 0.000 1.850 357 H HN 0.427 nan 8.280 nan 0.000 0.549 358 E N 1.395 121.801 120.200 0.343 0.000 2.398 358 E HA 0.298 4.680 4.350 0.053 0.000 0.263 358 E C -0.037 176.761 176.600 0.331 0.000 1.046 358 E CA -0.130 56.447 56.400 0.296 0.000 0.908 358 E CB 1.138 31.059 29.700 0.369 0.000 0.963 358 E HN 0.563 nan 8.360 nan 0.000 0.431 359 I N -0.558 120.120 120.570 0.180 0.000 2.608 359 I HA 0.487 4.688 4.170 0.053 0.000 0.295 359 I C -1.008 175.103 176.117 -0.011 0.000 1.049 359 I CA -0.879 60.489 61.300 0.113 0.000 1.063 359 I CB 2.096 40.137 38.000 0.068 0.000 1.248 359 I HN 0.393 nan 8.210 nan 0.000 0.424 360 N N 3.320 121.949 118.700 -0.118 0.000 2.504 360 N HA 0.437 5.208 4.740 0.053 0.000 0.280 360 N C -1.489 173.884 175.510 -0.230 0.000 1.052 360 N CA -0.274 52.544 53.050 -0.386 0.000 0.887 360 N CB 1.862 39.987 38.487 -0.604 0.000 1.323 360 N HN 0.747 nan 8.380 nan 0.000 0.509 361 T N 2.900 117.336 114.554 -0.197 0.000 2.786 361 T HA 0.289 4.671 4.350 0.053 0.000 0.283 361 T C 0.092 174.734 174.700 -0.097 0.000 0.992 361 T CA -0.428 61.605 62.100 -0.111 0.000 0.954 361 T CB 0.761 69.589 68.868 -0.067 0.000 0.934 361 T HN 0.661 nan 8.240 nan 0.000 0.440 362 N N 2.939 121.612 118.700 -0.046 0.000 2.693 362 N HA -0.176 4.596 4.740 0.053 0.000 0.249 362 N C -0.396 175.121 175.510 0.013 0.000 1.119 362 N CA 1.212 54.266 53.050 0.007 0.000 0.717 362 N CB -0.830 37.662 38.487 0.009 0.000 1.071 362 N HN 0.838 nan 8.380 nan 0.000 0.555 363 D N -2.512 117.857 120.400 -0.052 0.000 2.907 363 D HA -0.142 4.530 4.640 0.053 0.000 0.226 363 D C -0.582 175.766 176.300 0.080 0.000 1.141 363 D CA 0.944 54.935 54.000 -0.016 0.000 0.779 363 D CB -1.386 39.485 40.800 0.118 0.000 1.095 363 D HN 0.311 nan 8.370 nan 0.000 0.430 364 V N 0.864 120.737 119.914 -0.068 0.000 2.409 364 V HA 0.485 4.637 4.120 0.053 0.000 0.291 364 V C -0.089 175.979 176.094 -0.043 0.000 1.020 364 V CA -0.790 61.496 62.300 -0.023 0.000 0.848 364 V CB 1.265 32.968 31.823 -0.199 0.000 0.990 364 V HN -0.037 nan 8.190 nan 0.000 0.430 365 Y N 1.603 121.878 120.300 -0.042 0.000 2.409 365 Y HA 0.715 5.298 4.550 0.054 0.000 0.339 365 Y C 0.628 176.555 175.900 0.046 0.000 1.033 365 Y CA -0.706 57.400 58.100 0.009 0.000 1.094 365 Y CB 2.194 40.663 38.460 0.016 0.000 1.210 365 Y HN 0.583 nan 8.280 nan 0.000 0.456 366 S N 2.320 118.140 115.700 0.200 0.000 2.648 366 S HA 0.715 5.217 4.470 0.053 0.000 0.305 366 S C -1.016 173.660 174.600 0.127 0.000 1.094 366 S CA -0.893 57.415 58.200 0.180 0.000 0.983 366 S CB 1.113 64.368 63.200 0.092 0.000 1.101 366 S HN 0.449 nan 8.310 nan 0.000 0.514 367 L N 2.334 123.608 121.223 0.084 0.000 2.313 367 L HA 0.591 4.962 4.340 0.053 0.000 0.283 367 L C -0.347 176.510 176.870 -0.021 0.000 1.013 367 L CA -0.970 53.865 54.840 -0.009 0.000 0.816 367 L CB 1.355 43.331 42.059 -0.138 0.000 1.236 367 L HN 0.439 nan 8.230 nan 0.000 0.419 368 V N 0.126 119.945 119.914 -0.158 0.000 2.617 368 V HA 0.512 4.664 4.120 0.053 0.000 0.298 368 V C -0.715 175.341 176.094 -0.063 0.000 1.048 368 V CA -0.649 61.565 62.300 -0.144 0.000 0.964 368 V CB 1.662 33.335 31.823 -0.250 0.000 1.004 368 V HN 0.560 nan 8.190 nan 0.000 0.466 369 F N 4.462 124.338 119.950 -0.123 0.000 2.402 369 F HA 0.796 5.354 4.527 0.053 0.000 0.355 369 F C -0.679 175.098 175.800 -0.039 0.000 1.123 369 F CA -0.747 57.215 58.000 -0.064 0.000 1.021 369 F CB 1.390 40.355 39.000 -0.059 0.000 1.160 369 F HN 0.467 nan 8.300 nan 0.000 0.451 370 V N 6.556 126.116 119.914 -0.590 0.000 2.628 370 V HA 0.538 4.689 4.120 0.053 0.000 0.306 370 V C -0.336 175.285 176.094 -0.788 0.000 1.045 370 V CA -0.990 60.955 62.300 -0.592 0.000 0.905 370 V CB 1.976 33.493 31.823 -0.510 0.000 0.997 370 V HN 0.636 nan 8.190 nan 0.000 0.436 371 R N 3.487 123.664 120.500 -0.540 0.000 2.215 371 R HA 0.427 4.799 4.340 0.053 0.000 0.337 371 R C -0.821 175.316 176.300 -0.272 0.000 1.010 371 R CA -0.173 55.665 56.100 -0.437 0.000 0.871 371 R CB 0.727 30.889 30.300 -0.229 0.000 1.134 371 R HN 0.661 nan 8.270 nan 0.000 0.477 372 F N 4.261 124.099 119.950 -0.187 0.000 2.659 372 F HA 0.043 4.602 4.527 0.053 0.000 0.360 372 F C 1.329 177.064 175.800 -0.108 0.000 1.218 372 F CA -0.731 57.201 58.000 -0.112 0.000 1.317 372 F CB 0.246 39.201 39.000 -0.076 0.000 1.697 372 F HN 0.471 nan 8.300 nan 0.000 0.637 373 I N 1.041 121.657 120.570 0.077 0.000 2.163 373 I HA -0.167 4.035 4.170 0.053 0.000 0.240 373 I C 2.612 178.751 176.117 0.035 0.000 1.081 373 I CA 1.330 62.647 61.300 0.027 0.000 1.353 373 I CB -1.573 36.431 38.000 0.005 0.000 1.054 373 I HN 0.388 nan 8.210 nan 0.000 0.407 374 G N 0.020 108.843 108.800 0.038 0.000 2.408 374 G HA2 -0.199 3.793 3.960 0.053 0.000 0.217 374 G HA3 -0.199 3.793 3.960 0.053 0.000 0.217 374 G C 1.564 176.461 174.900 -0.006 0.000 1.150 374 G CA 0.510 45.617 45.100 0.013 0.000 0.776 374 G HN 0.340 nan 8.290 nan 0.000 0.542 375 E N -0.072 120.117 120.200 -0.019 0.000 2.049 375 E HA -0.139 4.243 4.350 0.053 0.000 0.198 375 E C 2.303 178.873 176.600 -0.050 0.000 1.007 375 E CA 0.905 57.253 56.400 -0.087 0.000 0.809 375 E CB -0.401 29.135 29.700 -0.274 0.000 0.749 375 E HN 0.316 nan 8.360 nan 0.000 0.450 376 L N 1.043 122.262 121.223 -0.006 0.000 2.079 376 L HA -0.231 4.141 4.340 0.053 0.000 0.210 376 L C 2.287 179.141 176.870 -0.026 0.000 1.081 376 L CA 1.898 56.736 54.840 -0.003 0.000 0.752 376 L CB -0.576 41.520 42.059 0.061 0.000 0.896 376 L HN 0.185 nan 8.230 nan 0.000 0.433 377 Q N -1.107 118.683 119.800 -0.017 0.000 2.061 377 Q HA -0.255 4.117 4.340 0.053 0.000 0.204 377 Q C 2.250 178.214 176.000 -0.059 0.000 0.984 377 Q CA 2.203 57.989 55.803 -0.029 0.000 0.846 377 Q CB -0.291 28.438 28.738 -0.015 0.000 0.902 377 Q HN 0.514 nan 8.270 nan 0.000 0.421 378 L N 0.171 121.362 121.223 -0.053 0.000 2.093 378 L HA -0.112 4.260 4.340 0.053 0.000 0.208 378 L C 2.134 178.898 176.870 -0.177 0.000 1.085 378 L CA 1.617 56.413 54.840 -0.073 0.000 0.755 378 L CB -0.293 41.777 42.059 0.019 0.000 0.904 378 L HN 0.321 nan 8.230 nan 0.000 0.435 379 M N -0.809 118.703 119.600 -0.147 0.000 2.086 379 M HA -0.236 4.276 4.480 0.053 0.000 0.261 379 M C 2.210 178.338 176.300 -0.286 0.000 1.067 379 M CA 1.869 57.031 55.300 -0.230 0.000 1.116 379 M CB -0.354 32.158 32.600 -0.147 0.000 1.348 379 M HN 0.107 nan 8.290 nan 0.000 0.407 380 K N -0.584 119.704 120.400 -0.187 0.000 2.057 380 K HA -0.137 4.215 4.320 0.053 0.000 0.207 380 K C 2.299 178.780 176.600 -0.198 0.000 1.049 380 K CA 1.666 57.858 56.287 -0.159 0.000 0.931 380 K CB -0.362 32.090 32.500 -0.080 0.000 0.714 380 K HN 0.256 nan 8.250 nan 0.000 0.440 381 S N 1.009 116.588 115.700 -0.202 0.000 2.356 381 S HA -0.125 4.376 4.470 0.053 0.000 0.223 381 S C 2.076 176.485 174.600 -0.319 0.000 1.032 381 S CA 1.463 59.542 58.200 -0.202 0.000 1.005 381 S CB -0.285 62.820 63.200 -0.158 0.000 0.867 381 S HN 0.265 nan 8.310 nan 0.000 0.449 382 V N 1.196 120.802 119.914 -0.513 0.000 2.515 382 V HA -0.015 4.137 4.120 0.053 0.000 0.250 382 V C 2.105 177.614 176.094 -0.975 0.000 1.058 382 V CA 2.018 63.838 62.300 -0.801 0.000 1.064 382 V CB -0.641 30.453 31.823 -1.215 0.000 0.675 382 V HN 0.413 nan 8.190 nan 0.000 0.461 383 V N 0.814 120.288 119.914 -0.733 0.000 2.343 383 V HA -0.215 3.937 4.120 0.053 0.000 0.247 383 V C 2.919 178.896 176.094 -0.195 0.000 1.051 383 V CA 2.657 64.677 62.300 -0.467 0.000 1.036 383 V CB -0.886 30.795 31.823 -0.236 0.000 0.654 383 V HN 0.541 nan 8.190 nan 0.000 0.451 384 R N -0.519 119.872 120.500 -0.181 0.000 2.081 384 R HA -0.144 4.228 4.340 0.053 0.000 0.235 384 R C 2.414 178.681 176.300 -0.055 0.000 1.131 384 R CA 1.906 57.958 56.100 -0.081 0.000 0.960 384 R CB -0.762 29.490 30.300 -0.081 0.000 0.856 384 R HN 0.489 nan 8.270 nan 0.000 0.436 385 T N 0.224 114.703 114.554 -0.125 0.000 2.652 385 T HA -0.175 4.207 4.350 0.053 0.000 0.267 385 T C 1.343 176.097 174.700 0.090 0.000 1.039 385 T CA 1.384 63.449 62.100 -0.059 0.000 1.153 385 T CB -0.212 68.593 68.868 -0.104 0.000 0.863 385 T HN 0.342 nan 8.240 nan 0.000 0.428 386 W N 1.862 123.160 121.300 -0.003 0.000 2.321 386 W HA -0.017 4.674 4.660 0.053 0.000 0.306 386 W C 2.312 178.907 176.519 0.127 0.000 1.217 386 W CA 0.529 57.949 57.345 0.125 0.000 1.257 386 W CB -1.017 28.564 29.460 0.201 0.000 1.145 386 W HN 0.333 nan 8.180 nan 0.000 0.509 387 K N -0.031 120.551 120.400 0.302 0.000 2.057 387 K HA -0.154 4.198 4.320 0.053 0.000 0.206 387 K C 1.876 178.571 176.600 0.158 0.000 1.050 387 K CA 1.671 58.082 56.287 0.207 0.000 0.935 387 K CB -0.326 32.255 32.500 0.137 0.000 0.715 387 K HN 0.149 nan 8.250 nan 0.000 0.439 388 E N 0.531 120.801 120.200 0.117 0.000 2.047 388 E HA -0.216 4.166 4.350 0.053 0.000 0.191 388 E C 2.020 178.688 176.600 0.114 0.000 0.987 388 E CA 1.121 57.573 56.400 0.088 0.000 0.799 388 E CB 0.055 29.777 29.700 0.036 0.000 0.752 388 E HN 0.189 nan 8.360 nan 0.000 0.449 389 E N 1.262 121.512 120.200 0.084 0.000 2.072 389 E HA -0.192 4.190 4.350 0.053 0.000 0.191 389 E C 1.475 178.203 176.600 0.213 0.000 0.985 389 E CA 1.409 57.866 56.400 0.096 0.000 0.801 389 E CB -0.075 29.526 29.700 -0.165 0.000 0.750 389 E HN 0.110 nan 8.360 nan 0.000 0.452 390 D N -0.682 119.865 120.400 0.245 0.000 2.117 390 D HA -0.156 4.516 4.640 0.053 0.000 0.197 390 D C 1.875 178.263 176.300 0.147 0.000 0.987 390 D CA 1.610 55.743 54.000 0.222 0.000 0.829 390 D CB -0.841 40.087 40.800 0.212 0.000 0.961 390 D HN 0.442 nan 8.370 nan 0.000 0.460 391 N N -0.102 118.684 118.700 0.144 0.000 2.216 391 N HA -0.197 4.574 4.740 0.053 0.000 0.183 391 N C 1.775 177.349 175.510 0.107 0.000 1.017 391 N CA 1.657 54.771 53.050 0.106 0.000 0.861 391 N CB -0.933 37.613 38.487 0.099 0.000 0.986 391 N HN 0.376 nan 8.380 nan 0.000 0.428 392 H N 0.317 119.422 119.070 0.059 0.000 2.293 392 H HA 0.119 4.706 4.556 0.053 0.000 0.300 392 H C 2.028 177.387 175.328 0.052 0.000 1.082 392 H CA 1.677 57.756 56.048 0.051 0.000 1.308 392 H CB -0.280 29.515 29.762 0.055 0.000 1.375 392 H HN 0.384 nan 8.280 nan 0.000 0.495 393 L N -0.094 121.102 121.223 -0.045 0.000 2.046 393 L HA -0.105 4.267 4.340 0.053 0.000 0.208 393 L C 2.771 179.586 176.870 -0.092 0.000 1.077 393 L CA 1.090 55.865 54.840 -0.108 0.000 0.747 393 L CB -0.632 41.434 42.059 0.011 0.000 0.896 393 L HN 0.447 nan 8.230 nan 0.000 0.432 394 A N -1.371 121.432 122.820 -0.029 0.000 2.172 394 A HA -0.083 4.269 4.320 0.053 0.000 0.216 394 A C 2.310 179.869 177.584 -0.041 0.000 1.154 394 A CA 1.456 53.480 52.037 -0.022 0.000 0.701 394 A CB -0.283 18.723 19.000 0.010 0.000 0.789 394 A HN 0.351 nan 8.150 nan 0.000 0.465 395 S N -0.619 115.039 115.700 -0.070 0.000 2.556 395 S HA 0.287 4.789 4.470 0.053 0.000 0.216 395 S C 0.521 175.066 174.600 -0.091 0.000 0.970 395 S CA -0.415 57.747 58.200 -0.063 0.000 0.912 395 S CB -0.203 62.978 63.200 -0.031 0.000 0.790 395 S HN 0.498 nan 8.310 nan 0.000 0.504 396 I N 1.499 121.985 120.570 -0.141 0.000 2.648 396 I HA -0.001 4.201 4.170 0.053 0.000 0.284 396 I C 0.445 176.517 176.117 -0.076 0.000 1.153 396 I CA -0.234 60.990 61.300 -0.127 0.000 1.426 396 I CB 0.440 38.347 38.000 -0.154 0.000 1.381 396 I HN 0.156 nan 8.210 nan 0.000 0.571 397 c N 7.482 126.047 118.600 -0.058 0.000 2.289 397 c HA 0.331 4.932 4.570 0.053 0.000 0.340 397 c C 0.982 175.042 174.090 -0.050 0.000 1.152 397 c CA -0.495 55.806 56.329 -0.046 0.000 1.650 397 c CB -1.365 41.124 42.510 -0.035 0.000 2.203 397 c HN 0.857 nan 8.230 nan 0.000 0.511 398 T N 4.675 119.197 114.554 -0.053 0.000 2.918 398 T HA 0.540 4.921 4.350 0.053 0.000 0.283 398 T C -2.781 171.884 174.700 -0.058 0.000 1.001 398 T CA -1.685 60.378 62.100 -0.062 0.000 1.041 398 T CB 1.120 69.949 68.868 -0.066 0.000 1.028 398 T HN 0.458 nan 8.240 nan 0.000 0.511 399 P HA 0.206 nan 4.420 nan 0.000 0.267 399 P C -0.432 176.838 177.300 -0.049 0.000 1.205 399 P CA -0.422 62.640 63.100 -0.063 0.000 0.765 399 P CB 0.292 31.941 31.700 -0.084 0.000 0.828 400 V N 4.877 124.768 119.914 -0.038 0.000 2.585 400 V HA 0.023 4.175 4.120 0.053 0.000 0.296 400 V C 0.626 176.705 176.094 -0.025 0.000 1.035 400 V CA 0.042 62.325 62.300 -0.029 0.000 1.084 400 V CB 0.683 32.492 31.823 -0.023 0.000 0.953 400 V HN 0.248 nan 8.190 nan 0.000 0.483 401 V N 6.091 125.993 119.914 -0.020 0.000 2.539 401 V HA 0.359 4.511 4.120 0.053 0.000 0.292 401 V C -1.908 174.182 176.094 -0.006 0.000 1.045 401 V CA -1.866 60.427 62.300 -0.012 0.000 0.945 401 V CB 0.889 32.708 31.823 -0.007 0.000 0.993 401 V HN 0.813 nan 8.190 nan 0.000 0.464 402 P HA 0.389 nan 4.420 nan 0.000 0.264 402 P C -0.342 176.959 177.300 0.001 0.000 1.183 402 P CA 0.303 63.403 63.100 0.001 0.000 0.763 402 P CB 0.493 32.197 31.700 0.006 0.000 0.807 411 c N 0.531 119.117 118.600 -0.023 0.000 2.889 411 c HA 0.864 5.466 4.570 0.053 0.000 0.307 411 c C 1.096 175.168 174.090 -0.029 0.000 1.251 411 c CA -0.175 56.137 56.329 -0.028 0.000 1.593 411 c CB 1.186 43.679 42.510 -0.029 0.000 2.104 411 c HN 0.507 nan 8.230 nan 0.000 0.476 412 G N 0.486 109.265 108.800 -0.035 0.000 2.508 412 G HA2 0.559 4.550 3.960 0.053 0.000 0.278 412 G HA3 0.559 4.550 3.960 0.053 0.000 0.278 412 G C 0.108 174.986 174.900 -0.036 0.000 1.389 412 G CA 0.125 45.204 45.100 -0.035 0.000 1.050 412 G HN 1.284 nan 8.290 nan 0.000 0.522 413 A N -0.906 121.891 122.820 -0.038 0.000 2.555 413 A HA 0.508 4.860 4.320 0.053 0.000 0.233 413 A C 1.081 178.639 177.584 -0.043 0.000 1.060 413 A CA 0.502 52.515 52.037 -0.040 0.000 0.759 413 A CB -0.431 18.543 19.000 -0.044 0.000 0.995 413 A HN 1.878 nan 8.150 nan 0.000 0.506 414 A N 1.789 124.585 122.820 -0.040 0.000 2.483 414 A HA 0.430 4.782 4.320 0.053 0.000 0.238 414 A C 0.479 178.037 177.584 -0.042 0.000 1.070 414 A CA -0.229 51.784 52.037 -0.040 0.000 0.770 414 A CB -0.235 18.746 19.000 -0.031 0.000 1.008 414 A HN 1.322 nan 8.150 nan 0.000 0.497 415 V N 4.514 124.403 119.914 -0.042 0.000 2.509 415 V HA 0.066 4.218 4.120 0.053 0.000 0.297 415 V C -1.887 174.201 176.094 -0.010 0.000 1.014 415 V CA -0.447 61.834 62.300 -0.032 0.000 1.127 415 V CB 0.030 31.831 31.823 -0.038 0.000 0.925 415 V HN 0.755 nan 8.190 nan 0.000 0.480 416 P HA 0.141 nan 4.420 nan 0.000 0.267 416 P C 0.709 178.097 177.300 0.146 0.000 1.209 416 P CA 0.139 63.243 63.100 0.007 0.000 0.763 416 P CB 0.583 32.200 31.700 -0.139 0.000 0.816 417 T N -0.680 113.932 114.554 0.097 0.000 2.959 417 T HA 0.322 4.704 4.350 0.053 0.000 0.254 417 T C 0.834 175.560 174.700 0.043 0.000 1.003 417 T CA -0.084 62.061 62.100 0.074 0.000 0.950 417 T CB -0.069 68.824 68.868 0.042 0.000 1.090 417 T HN 0.359 nan 8.240 nan 0.000 0.503 418 A N 1.071 123.916 122.820 0.043 0.000 2.524 418 A HA 0.545 4.897 4.320 0.053 0.000 0.250 418 A C 1.710 179.314 177.584 0.033 0.000 1.078 418 A CA 0.363 52.406 52.037 0.011 0.000 0.761 418 A CB -1.117 17.880 19.000 -0.004 0.000 1.012 418 A HN 1.538 nan 8.150 nan 0.000 0.500 419 G N 1.251 110.023 108.800 -0.048 0.000 2.179 419 G HA2 -0.211 3.780 3.960 0.053 0.000 0.260 419 G HA3 -0.211 3.780 3.960 0.053 0.000 0.260 419 G C 0.238 175.035 174.900 -0.171 0.000 0.977 419 G CA 0.315 45.361 45.100 -0.090 0.000 0.641 419 G HN 1.162 nan 8.290 nan 0.000 0.533 420 L N 1.453 122.505 121.223 -0.284 0.000 2.385 420 L HA 0.440 4.812 4.340 0.053 0.000 0.281 420 L C 1.618 178.042 176.870 -0.743 0.000 1.106 420 L CA -0.404 53.992 54.840 -0.739 0.000 0.856 420 L CB 0.960 42.620 42.059 -0.663 0.000 1.186 420 L HN -0.003 nan 8.230 nan 0.000 0.453 421 V N 4.492 123.988 119.914 -0.697 0.000 2.581 421 V HA 0.280 4.432 4.120 0.053 0.000 0.240 421 V C 1.027 176.878 176.094 -0.405 0.000 1.054 421 V CA 0.963 62.922 62.300 -0.569 0.000 1.076 421 V CB 0.431 31.924 31.823 -0.550 0.000 0.748 421 V HN 0.835 nan 8.190 nan 0.000 0.474 422 G N -1.522 107.123 108.800 -0.259 0.000 2.619 422 G HA2 0.639 4.630 3.960 0.053 0.000 0.296 422 G HA3 0.639 4.630 3.960 0.053 0.000 0.296 422 G C -1.940 173.230 174.900 0.450 0.000 1.334 422 G CA -0.437 44.808 45.100 0.243 0.000 0.934 422 G HN 0.035 nan 8.290 nan 0.000 0.476 423 F N 1.032 121.199 119.950 0.362 0.000 2.630 423 F HA 0.530 5.089 4.527 0.053 0.000 0.325 423 F C -1.486 174.272 175.800 -0.069 0.000 1.184 423 F CA -1.115 56.974 58.000 0.149 0.000 1.011 423 F CB 1.459 40.616 39.000 0.262 0.000 1.268 423 F HN 0.286 nan 8.300 nan 0.000 0.480 424 L N 6.240 127.197 121.223 -0.443 0.000 2.319 424 L HA 0.517 4.888 4.340 0.053 0.000 0.281 424 L C -0.118 176.345 176.870 -0.678 0.000 1.005 424 L CA -0.171 54.109 54.840 -0.934 0.000 0.828 424 L CB 1.550 42.456 42.059 -1.922 0.000 1.227 424 L HN 0.668 nan 8.230 nan 0.000 0.415 425 S N 0.254 115.716 115.700 -0.396 0.000 4.228 425 S HA 0.148 4.650 4.470 0.053 0.000 0.207 425 S C 1.026 175.714 174.600 0.147 0.000 1.152 425 S CA 0.036 58.114 58.200 -0.204 0.000 1.645 425 S CB 0.189 62.975 63.200 -0.689 0.000 1.307 425 S HN 0.798 nan 8.310 nan 0.000 0.761 426 H N 1.506 120.555 119.070 -0.034 0.000 2.326 426 H HA 0.368 4.956 4.556 0.053 0.000 0.301 426 H C 0.478 175.811 175.328 0.007 0.000 1.081 426 H CA 1.784 57.831 56.048 -0.002 0.000 1.334 426 H CB -0.396 29.351 29.762 -0.026 0.000 1.385 426 H HN 0.278 nan 8.280 nan 0.000 0.504 427 S N 0.509 116.214 115.700 0.009 0.000 2.516 427 S HA 0.490 4.992 4.470 0.053 0.000 0.282 427 S C -0.303 174.295 174.600 -0.005 0.000 1.286 427 S CA 0.159 58.343 58.200 -0.028 0.000 1.066 427 S CB 0.729 63.947 63.200 0.031 0.000 0.884 427 S HN 0.654 nan 8.310 nan 0.000 0.491 428 A N 3.000 125.758 122.820 -0.104 0.000 2.583 428 A HA 0.679 5.031 4.320 0.053 0.000 0.292 428 A C -0.883 176.612 177.584 -0.148 0.000 1.045 428 A CA -1.075 50.884 52.037 -0.130 0.000 0.672 428 A CB 0.980 19.752 19.000 -0.380 0.000 1.283 428 A HN 0.761 nan 8.150 nan 0.000 0.419 429 N N -0.860 117.770 118.700 -0.116 0.000 3.387 429 N HA 0.571 5.343 4.740 0.053 0.000 0.322 429 N C 0.931 176.382 175.510 -0.099 0.000 1.588 429 N CA 0.021 53.011 53.050 -0.100 0.000 0.778 429 N CB 0.168 38.623 38.487 -0.052 0.000 1.883 429 N HN 1.023 nan 8.380 nan 0.000 0.628 430 G N -1.511 107.249 108.800 -0.067 0.000 2.679 430 G HA2 -0.028 3.964 3.960 0.053 0.000 0.212 430 G HA3 -0.028 3.964 3.960 0.053 0.000 0.212 430 G C 0.685 175.575 174.900 -0.016 0.000 1.137 430 G CA 1.179 46.248 45.100 -0.051 0.000 0.787 430 G HN 0.839 nan 8.290 nan 0.000 0.534 431 S N -1.859 113.839 115.700 -0.004 0.000 2.728 431 S HA 0.446 4.948 4.470 0.053 0.000 0.257 431 S C -0.073 174.557 174.600 0.049 0.000 1.060 431 S CA -0.210 58.005 58.200 0.024 0.000 1.126 431 S CB 1.048 64.260 63.200 0.020 0.000 1.099 431 S HN -0.003 nan 8.310 nan 0.000 0.617 432 V N 2.039 121.982 119.914 0.047 0.000 2.686 432 V HA 0.523 4.674 4.120 0.053 0.000 0.306 432 V C -1.738 174.436 176.094 0.133 0.000 1.065 432 V CA -0.643 61.713 62.300 0.093 0.000 0.894 432 V CB 1.837 33.706 31.823 0.077 0.000 1.004 432 V HN 0.532 nan 8.190 nan 0.000 0.424 433 W N 4.271 125.548 121.300 -0.040 0.000 2.361 433 W HA 0.550 5.242 4.660 0.053 0.000 0.314 433 W C 0.032 176.496 176.519 -0.091 0.000 1.041 433 W CA -1.176 56.116 57.345 -0.089 0.000 1.241 433 W CB 1.171 30.558 29.460 -0.123 0.000 1.279 433 W HN 0.644 nan 8.180 nan 0.000 0.436 434 E N 3.006 123.356 120.200 0.249 0.000 2.313 434 E HA -0.017 4.365 4.350 0.053 0.000 0.276 434 E C -0.441 176.180 176.600 0.036 0.000 1.031 434 E CA -0.398 56.074 56.400 0.119 0.000 0.857 434 E CB 1.135 30.898 29.700 0.106 0.000 1.040 434 E HN 0.190 nan 8.360 nan 0.000 0.408 435 D N 2.731 123.199 120.400 0.112 0.000 2.382 435 D HA -0.046 4.626 4.640 0.053 0.000 0.259 435 D C 0.806 177.221 176.300 0.192 0.000 1.224 435 D CA 0.017 54.142 54.000 0.208 0.000 0.894 435 D CB 1.167 42.203 40.800 0.395 0.000 1.127 435 D HN 0.126 nan 8.370 nan 0.000 0.487 436 V N 4.545 124.540 119.914 0.136 0.000 2.568 436 V HA -0.271 3.881 4.120 0.053 0.000 0.253 436 V C 1.282 177.419 176.094 0.073 0.000 1.072 436 V CA 1.485 63.818 62.300 0.056 0.000 1.084 436 V CB -0.831 30.991 31.823 -0.002 0.000 0.676 436 V HN 0.637 nan 8.190 nan 0.000 0.469 437 Y N -0.203 120.273 120.300 0.293 0.000 2.471 437 Y HA 0.220 4.802 4.550 0.053 0.000 0.286 437 Y C 1.409 177.607 175.900 0.496 0.000 1.188 437 Y CA -0.184 58.149 58.100 0.388 0.000 1.286 437 Y CB -0.341 38.260 38.460 0.235 0.000 1.072 437 Y HN 0.218 nan 8.280 nan 0.000 0.517 438 R N -2.796 117.977 120.500 0.455 0.000 3.770 438 R HA -0.264 4.108 4.340 0.053 0.000 0.305 438 R C 0.469 177.116 176.300 0.577 0.000 1.184 438 R CA 0.720 57.075 56.100 0.424 0.000 0.823 438 R CB -2.572 27.904 30.300 0.294 0.000 1.285 438 R HN 0.436 nan 8.270 nan 0.000 0.499 439 C N -1.616 118.012 119.300 0.546 0.000 2.341 439 C HA 0.255 4.747 4.460 0.053 0.000 0.372 439 C C 0.769 175.938 174.990 0.298 0.000 1.430 439 C CA 0.272 59.588 59.018 0.496 0.000 2.316 439 C CB 0.904 28.951 27.740 0.511 0.000 2.416 439 C HN 0.255 nan 8.230 nan 0.000 0.583 440 V N 2.829 122.936 119.914 0.321 0.000 2.398 440 V HA 0.337 4.488 4.120 0.053 0.000 0.282 440 V C -1.421 174.942 176.094 0.448 0.000 1.014 440 V CA -0.382 62.058 62.300 0.234 0.000 0.838 440 V CB 1.168 32.925 31.823 -0.111 0.000 1.018 440 V HN 0.347 nan 8.190 nan 0.000 0.432 441 D N 3.018 123.594 120.400 0.294 0.000 2.358 441 D HA 0.601 5.273 4.640 0.053 0.000 0.244 441 D C 0.357 176.800 176.300 0.238 0.000 1.163 441 D CA 0.083 54.221 54.000 0.230 0.000 0.945 441 D CB 1.883 42.780 40.800 0.162 0.000 1.152 441 D HN 0.665 nan 8.370 nan 0.000 0.451 442 A N 1.430 124.284 122.820 0.057 0.000 2.303 442 A HA 0.374 4.726 4.320 0.053 0.000 0.317 442 A C 0.000 177.684 177.584 0.166 0.000 1.149 442 A CA -0.783 51.310 52.037 0.092 0.000 0.822 442 A CB 0.488 19.401 19.000 -0.146 0.000 1.131 442 A HN 0.458 nan 8.150 nan 0.000 0.493 443 N N 0.750 119.549 118.700 0.165 0.000 2.499 443 N HA 0.439 5.211 4.740 0.053 0.000 0.281 443 N C -0.881 174.712 175.510 0.138 0.000 1.098 443 N CA -0.107 53.020 53.050 0.127 0.000 0.979 443 N CB 1.797 40.334 38.487 0.084 0.000 1.121 443 N HN 0.313 nan 8.380 nan 0.000 0.466 444 V N 0.469 120.453 119.914 0.117 0.000 2.769 444 V HA 0.856 5.007 4.120 0.053 0.000 0.312 444 V C -0.227 175.914 176.094 0.078 0.000 1.061 444 V CA -0.766 61.608 62.300 0.123 0.000 0.931 444 V CB 1.737 33.626 31.823 0.109 0.000 1.010 444 V HN 0.861 nan 8.190 nan 0.000 0.433 445 A N 2.356 125.224 122.820 0.080 0.000 2.572 445 A HA 0.742 5.094 4.320 0.053 0.000 0.295 445 A C -0.097 177.548 177.584 0.103 0.000 1.072 445 A CA -0.610 51.464 52.037 0.062 0.000 0.691 445 A CB 1.217 20.234 19.000 0.028 0.000 1.291 445 A HN 0.892 nan 8.150 nan 0.000 0.404 446 N N -1.057 117.692 118.700 0.080 0.000 2.714 446 N HA -0.151 4.620 4.740 0.053 0.000 0.253 446 N C -0.242 175.363 175.510 0.158 0.000 1.024 446 N CA 1.354 54.462 53.050 0.095 0.000 0.726 446 N CB -0.935 37.602 38.487 0.083 0.000 0.908 446 N HN 1.527 nan 8.380 nan 0.000 0.542 447 A N 0.322 123.198 122.820 0.093 0.000 2.454 447 A HA 0.724 5.075 4.320 0.053 0.000 0.302 447 A C -0.075 177.442 177.584 -0.111 0.000 1.079 447 A CA -0.685 51.352 52.037 -0.001 0.000 0.731 447 A CB 1.716 20.711 19.000 -0.009 0.000 1.299 447 A HN 0.302 nan 8.150 nan 0.000 0.413 448 E N 1.454 121.534 120.200 -0.201 0.000 2.266 448 E HA 0.549 4.931 4.350 0.053 0.000 0.268 448 E C -0.981 175.456 176.600 -0.272 0.000 0.879 448 E CA -0.923 55.364 56.400 -0.187 0.000 0.762 448 E CB 1.514 31.138 29.700 -0.127 0.000 1.199 448 E HN 0.602 nan 8.360 nan 0.000 0.422 449 R N 1.095 121.449 120.500 -0.242 0.000 2.543 449 R HA 0.323 4.695 4.340 0.053 0.000 0.277 449 R C 0.206 176.378 176.300 -0.212 0.000 1.074 449 R CA -0.199 55.733 56.100 -0.279 0.000 1.076 449 R CB 0.983 31.132 30.300 -0.251 0.000 0.993 449 R HN 0.534 nan 8.270 nan 0.000 0.459 450 V N -0.122 119.663 119.914 -0.216 0.000 3.160 450 V HA 0.529 4.680 4.120 0.053 0.000 0.310 450 V C -2.654 173.416 176.094 -0.041 0.000 1.181 450 V CA -3.230 59.003 62.300 -0.111 0.000 1.047 450 V CB 1.963 33.722 31.823 -0.107 0.000 1.068 450 V HN 0.530 nan 8.190 nan 0.000 0.441 451 P HA 0.216 nan 4.420 nan 0.000 0.260 451 P C -0.016 177.405 177.300 0.201 0.000 1.185 451 P CA 0.908 64.124 63.100 0.194 0.000 0.763 451 P CB -0.138 31.616 31.700 0.090 0.000 0.776 452 N N 1.450 120.393 118.700 0.405 0.000 2.878 452 N HA -0.157 4.615 4.740 0.053 0.000 0.247 452 N C 0.566 176.183 175.510 0.178 0.000 1.021 452 N CA 1.750 54.948 53.050 0.247 0.000 0.873 452 N CB -1.428 37.172 38.487 0.188 0.000 1.128 452 N HN 0.683 nan 8.380 nan 0.000 0.571 453 G N -1.652 107.159 108.800 0.019 0.000 2.441 453 G HA2 0.464 4.456 3.960 0.053 0.000 0.225 453 G HA3 0.464 4.456 3.960 0.053 0.000 0.225 453 G C -2.180 172.420 174.900 -0.500 0.000 1.200 453 G CA -0.504 44.529 45.100 -0.111 0.000 0.947 453 G HN 0.103 nan 8.290 nan 0.000 0.484 454 L N 0.468 121.286 121.223 -0.674 0.000 2.422 454 L HA 0.682 5.054 4.340 0.053 0.000 0.264 454 L C -0.313 175.996 176.870 -0.936 0.000 0.984 454 L CA -1.034 53.266 54.840 -0.899 0.000 0.819 454 L CB 1.938 43.212 42.059 -1.307 0.000 1.330 454 L HN 0.797 nan 8.230 nan 0.000 0.410 455 K N 2.337 122.281 120.400 -0.759 0.000 2.235 455 K HA 0.629 4.981 4.320 0.053 0.000 0.266 455 K C -1.446 174.792 176.600 -0.605 0.000 0.980 455 K CA -0.289 55.652 56.287 -0.576 0.000 0.849 455 K CB 0.844 33.182 32.500 -0.268 0.000 1.098 455 K HN 0.328 nan 8.250 nan 0.000 0.445 456 F N 2.921 122.853 119.950 -0.030 0.000 2.421 456 F HA 0.360 4.919 4.527 0.053 0.000 0.337 456 F C 0.564 176.370 175.800 0.009 0.000 1.105 456 F CA -0.830 57.163 58.000 -0.012 0.000 1.049 456 F CB 1.371 40.383 39.000 0.021 0.000 1.139 456 F HN 0.486 nan 8.300 nan 0.000 0.479 457 N N 2.225 121.038 118.700 0.187 0.000 2.599 457 N HA 0.522 5.293 4.740 0.053 0.000 0.283 457 N C -0.866 174.700 175.510 0.095 0.000 1.160 457 N CA -0.042 53.078 53.050 0.117 0.000 0.869 457 N CB 1.673 40.199 38.487 0.065 0.000 1.448 457 N HN 0.943 nan 8.380 nan 0.000 0.535 458 G N 0.571 109.423 108.800 0.087 0.000 2.326 458 G HA2 0.013 4.005 3.960 0.053 0.000 0.413 458 G HA3 0.013 4.005 3.960 0.053 0.000 0.413 458 G C -1.315 173.616 174.900 0.051 0.000 1.444 458 G CA -0.716 44.420 45.100 0.060 0.000 1.002 458 G HN 0.329 nan 8.290 nan 0.000 0.649 459 V N 1.404 121.338 119.914 0.032 0.000 2.557 459 V HA 0.364 4.516 4.120 0.053 0.000 0.301 459 V C 1.936 178.037 176.094 0.011 0.000 1.026 459 V CA 2.276 64.587 62.300 0.018 0.000 1.137 459 V CB 0.641 32.469 31.823 0.010 0.000 0.917 459 V HN 2.745 nan 8.190 nan 0.000 0.484 460 G N 3.804 112.603 108.800 -0.003 0.000 2.153 460 G HA2 -0.176 3.816 3.960 0.053 0.000 0.252 460 G HA3 -0.176 3.816 3.960 0.053 0.000 0.252 460 G C 0.556 175.436 174.900 -0.033 0.000 0.994 460 G CA -0.074 45.013 45.100 -0.022 0.000 0.698 460 G HN 1.475 nan 8.290 nan 0.000 0.521 461 G N -0.186 108.610 108.800 -0.008 0.000 2.299 461 G HA2 0.691 4.682 3.960 0.053 0.000 0.256 461 G HA3 0.691 4.682 3.960 0.053 0.000 0.256 461 G C 0.651 175.355 174.900 -0.326 0.000 1.259 461 G CA 1.054 46.155 45.100 0.002 0.000 0.943 461 G HN 1.730 nan 8.290 nan 0.000 0.479 462 G N -0.174 108.241 108.800 -0.641 0.000 2.341 462 G HA2 0.659 4.651 3.960 0.053 0.000 0.293 462 G HA3 0.659 4.651 3.960 0.053 0.000 0.293 462 G C -1.176 173.473 174.900 -0.417 0.000 1.298 462 G CA 0.050 44.505 45.100 -1.074 0.000 0.868 462 G HN 1.737 nan 8.290 nan 0.000 0.540 463 A N -1.056 121.682 122.820 -0.137 0.000 2.449 463 A HA 0.843 5.195 4.320 0.053 0.000 0.302 463 A C -0.979 176.740 177.584 0.223 0.000 1.048 463 A CA -0.584 51.557 52.037 0.175 0.000 0.708 463 A CB 2.138 21.428 19.000 0.482 0.000 1.274 463 A HN 1.685 nan 8.150 nan 0.000 0.410 464 V N 1.928 121.976 119.914 0.225 0.000 2.384 464 V HA 0.376 4.528 4.120 0.053 0.000 0.287 464 V C -1.171 175.143 176.094 0.366 0.000 1.020 464 V CA -0.365 62.106 62.300 0.285 0.000 0.850 464 V CB 1.355 33.235 31.823 0.094 0.000 0.987 464 V HN 0.834 nan 8.190 nan 0.000 0.436 465 W N 9.118 130.575 121.300 0.260 0.000 2.299 465 W HA 0.520 5.212 4.660 0.053 0.000 0.319 465 W C -2.592 174.061 176.519 0.223 0.000 1.008 465 W CA -3.243 54.251 57.345 0.248 0.000 1.384 465 W CB 1.352 31.006 29.460 0.324 0.000 1.220 465 W HN 0.360 nan 8.180 nan 0.000 0.402 466 P HA 0.033 nan 4.420 nan 0.000 0.268 466 P C 0.253 177.515 177.300 -0.065 0.000 1.204 466 P CA 0.350 63.504 63.100 0.090 0.000 0.768 466 P CB 1.740 33.450 31.700 0.016 0.000 0.842 467 V N 3.272 123.113 119.914 -0.122 0.000 4.255 467 V HA 0.156 4.308 4.120 0.053 0.000 0.186 467 V C 2.257 178.237 176.094 -0.192 0.000 1.068 467 V CA 1.149 63.313 62.300 -0.227 0.000 1.418 467 V CB -1.322 30.255 31.823 -0.411 0.000 1.876 467 V HN 0.449 nan 8.190 nan 0.000 0.469 468 A N -0.019 122.701 122.820 -0.167 0.000 2.019 468 A HA -0.182 4.170 4.320 0.053 0.000 0.219 468 A C 2.091 179.613 177.584 -0.102 0.000 1.164 468 A CA 1.634 53.594 52.037 -0.129 0.000 0.644 468 A CB -0.621 18.317 19.000 -0.102 0.000 0.805 468 A HN 0.525 nan 8.150 nan 0.000 0.449 469 R N -0.399 120.052 120.500 -0.081 0.000 2.293 469 R HA -0.108 4.264 4.340 0.053 0.000 0.219 469 R C 1.955 178.211 176.300 -0.073 0.000 1.091 469 R CA 1.014 57.075 56.100 -0.065 0.000 1.004 469 R CB -0.235 30.034 30.300 -0.051 0.000 0.865 469 R HN 0.699 nan 8.270 nan 0.000 0.469 470 Q N -0.189 119.547 119.800 -0.107 0.000 2.297 470 Q HA -0.077 4.295 4.340 0.053 0.000 0.208 470 Q C 1.136 177.083 176.000 -0.089 0.000 0.981 470 Q CA 0.976 56.710 55.803 -0.114 0.000 0.876 470 Q CB 0.087 28.715 28.738 -0.183 0.000 0.921 470 Q HN 0.532 nan 8.270 nan 0.000 0.446 471 G N 0.401 109.148 108.800 -0.090 0.000 2.826 471 G HA2 -0.413 3.578 3.960 0.053 0.000 0.233 471 G HA3 -0.413 3.578 3.960 0.053 0.000 0.233 471 G C 0.370 175.220 174.900 -0.083 0.000 1.296 471 G CA 0.262 45.318 45.100 -0.072 0.000 1.001 471 G HN 0.331 nan 8.290 nan 0.000 0.576 472 Q N 0.050 119.811 119.800 -0.065 0.000 2.020 472 Q HA 0.127 4.498 4.340 0.053 0.000 0.198 472 Q C 1.033 176.970 176.000 -0.105 0.000 0.974 472 Q CA 1.974 57.738 55.803 -0.065 0.000 0.829 472 Q CB -0.158 28.567 28.738 -0.022 0.000 0.894 472 Q HN 0.570 nan 8.270 nan 0.000 0.433 473 T N 2.106 116.602 114.554 -0.097 0.000 2.728 473 T HA 0.355 4.737 4.350 0.053 0.000 0.296 473 T C -0.806 173.738 174.700 -0.260 0.000 0.940 473 T CA -0.361 61.617 62.100 -0.203 0.000 1.013 473 T CB 0.701 69.527 68.868 -0.070 0.000 0.912 473 T HN 0.185 nan 8.240 nan 0.000 0.484 474 R N 3.251 123.543 120.500 -0.345 0.000 2.471 474 R HA 0.285 4.657 4.340 0.053 0.000 0.292 474 R C 1.149 177.238 176.300 -0.353 0.000 1.192 474 R CA -0.439 55.476 56.100 -0.309 0.000 1.257 474 R CB 0.790 30.939 30.300 -0.252 0.000 1.130 474 R HN 0.526 nan 8.270 nan 0.000 0.558 475 R N 0.531 120.830 120.500 -0.334 0.000 2.193 475 R HA -0.037 4.335 4.340 0.053 0.000 0.213 475 R C 0.689 177.008 176.300 0.031 0.000 1.055 475 R CA 1.086 57.035 56.100 -0.252 0.000 0.995 475 R CB 0.301 30.474 30.300 -0.212 0.000 0.893 475 R HN 0.587 nan 8.270 nan 0.000 0.459 476 Y N -0.263 119.856 120.300 -0.302 0.000 2.524 476 Y HA 0.010 4.591 4.550 0.053 0.000 0.266 476 Y C 1.855 177.300 175.900 -0.758 0.000 1.180 476 Y CA -0.704 57.048 58.100 -0.579 0.000 1.244 476 Y CB 0.533 38.657 38.460 -0.560 0.000 1.125 476 Y HN 0.034 nan 8.280 nan 0.000 0.524 477 Q N 1.617 121.240 119.800 -0.296 0.000 2.268 477 Q HA -0.246 4.126 4.340 0.053 0.000 0.210 477 Q C 1.648 177.507 176.000 -0.236 0.000 0.988 477 Q CA 2.275 57.927 55.803 -0.252 0.000 0.883 477 Q CB -0.811 27.817 28.738 -0.183 0.000 0.911 477 Q HN 0.668 nan 8.270 nan 0.000 0.430 478 F N -1.439 118.477 119.950 -0.057 0.000 2.202 478 F HA 0.007 4.565 4.527 0.053 0.000 0.301 478 F C 1.916 177.767 175.800 0.086 0.000 1.082 478 F CA 0.875 58.871 58.000 -0.007 0.000 1.313 478 F CB -1.099 37.884 39.000 -0.029 0.000 1.024 478 F HN 0.094 nan 8.300 nan 0.000 0.495 479 A N 0.935 123.352 122.820 -0.672 0.000 2.125 479 A HA -0.164 4.188 4.320 0.053 0.000 0.219 479 A C 1.929 179.591 177.584 0.130 0.000 1.156 479 A CA 1.494 53.441 52.037 -0.151 0.000 0.671 479 A CB -0.922 17.806 19.000 -0.454 0.000 0.794 479 A HN 0.529 nan 8.150 nan 0.000 0.459 480 N N -1.937 116.771 118.700 0.014 0.000 2.459 480 N HA -0.099 4.673 4.740 0.053 0.000 0.181 480 N C 1.202 176.815 175.510 0.171 0.000 1.046 480 N CA 1.205 54.293 53.050 0.064 0.000 0.904 480 N CB -0.196 38.289 38.487 -0.004 0.000 0.964 480 N HN 0.740 nan 8.380 nan 0.000 0.444 481 Y N 1.201 121.536 120.300 0.059 0.000 2.539 481 Y HA 0.183 4.765 4.550 0.054 0.000 0.284 481 Y C 0.236 176.183 175.900 0.077 0.000 1.134 481 Y CA 0.251 58.382 58.100 0.053 0.000 1.251 481 Y CB 0.545 39.030 38.460 0.041 0.000 1.260 481 Y HN -0.103 nan 8.280 nan 0.000 0.528 482 R N -0.272 120.316 120.500 0.146 0.000 2.664 482 R HA 0.470 4.842 4.340 0.053 0.000 0.260 482 R C -1.895 174.584 176.300 0.299 0.000 1.062 482 R CA -0.625 55.480 56.100 0.008 0.000 0.902 482 R CB 1.048 31.256 30.300 -0.153 0.000 1.258 482 R HN 0.143 nan 8.270 nan 0.000 0.465 483 F N -1.736 118.268 119.950 0.091 0.000 2.741 483 F HA 0.718 5.276 4.527 0.053 0.000 0.313 483 F C -1.727 174.101 175.800 0.046 0.000 1.153 483 F CA -0.922 57.161 58.000 0.138 0.000 0.931 483 F CB 2.041 41.163 39.000 0.202 0.000 1.335 483 F HN 0.431 nan 8.300 nan 0.000 0.460 484 T N 2.829 117.563 114.554 0.299 0.000 2.879 484 T HA 0.623 5.005 4.350 0.053 0.000 0.290 484 T C -1.816 173.043 174.700 0.266 0.000 0.993 484 T CA -0.357 61.847 62.100 0.174 0.000 0.975 484 T CB 1.496 70.374 68.868 0.016 0.000 0.981 484 T HN 0.782 nan 8.240 nan 0.000 0.439 485 L N 4.995 126.349 121.223 0.219 0.000 2.356 485 L HA 0.817 5.189 4.340 0.053 0.000 0.277 485 L C -1.194 175.688 176.870 0.021 0.000 0.996 485 L CA -0.509 54.350 54.840 0.032 0.000 0.822 485 L CB 1.422 43.416 42.059 -0.108 0.000 1.256 485 L HN 0.466 nan 8.230 nan 0.000 0.413 486 V N 3.946 123.871 119.914 0.019 0.000 2.769 486 V HA 1.023 5.175 4.120 0.053 0.000 0.312 486 V C -0.181 175.895 176.094 -0.030 0.000 1.061 486 V CA -0.144 62.138 62.300 -0.031 0.000 0.931 486 V CB 1.370 33.225 31.823 0.053 0.000 1.010 486 V HN 1.035 nan 8.190 nan 0.000 0.433 487 A N 2.149 124.908 122.820 -0.102 0.000 2.608 487 A HA 0.789 5.141 4.320 0.053 0.000 0.292 487 A C -0.689 176.897 177.584 0.003 0.000 1.066 487 A CA -0.548 51.489 52.037 0.000 0.000 0.676 487 A CB 1.897 20.920 19.000 0.037 0.000 1.277 487 A HN 0.625 nan 8.150 nan 0.000 0.413 488 T N 1.408 116.039 114.554 0.128 0.000 2.771 488 T HA 0.625 5.007 4.350 0.053 0.000 0.281 488 T C -0.185 174.614 174.700 0.165 0.000 0.982 488 T CA -0.041 62.168 62.100 0.182 0.000 0.978 488 T CB 0.853 69.855 68.868 0.222 0.000 0.930 488 T HN 1.764 nan 8.240 nan 0.000 0.447 489 V N 1.299 121.316 119.914 0.172 0.000 3.040 489 V HA 1.003 5.155 4.120 0.053 0.000 0.312 489 V C -0.348 175.838 176.094 0.152 0.000 1.115 489 V CA -0.976 61.416 62.300 0.152 0.000 0.998 489 V CB 2.043 33.949 31.823 0.138 0.000 1.042 489 V HN 0.919 nan 8.190 nan 0.000 0.433 490 T N 0.524 115.129 114.554 0.086 0.000 2.893 490 T HA 0.767 5.149 4.350 0.053 0.000 0.291 490 T C -0.574 174.085 174.700 -0.068 0.000 1.028 490 T CA -0.591 61.546 62.100 0.062 0.000 0.995 490 T CB 1.593 70.502 68.868 0.069 0.000 1.051 490 T HN 0.761 nan 8.240 nan 0.000 0.470 491 I N 2.772 123.226 120.570 -0.192 0.000 2.325 491 I HA 0.255 4.457 4.170 0.053 0.000 0.291 491 I C 0.385 176.374 176.117 -0.214 0.000 1.019 491 I CA -0.623 60.431 61.300 -0.411 0.000 1.302 491 I CB 1.155 38.587 38.000 -0.947 0.000 1.401 491 I HN 0.731 nan 8.210 nan 0.000 0.485 492 D N 4.608 124.941 120.400 -0.112 0.000 2.216 492 D HA 0.061 4.733 4.640 0.053 0.000 0.208 492 D C 0.135 176.425 176.300 -0.017 0.000 0.960 492 D CA 1.002 54.997 54.000 -0.008 0.000 0.861 492 D CB 0.465 41.316 40.800 0.085 0.000 0.985 492 D HN 0.576 nan 8.370 nan 0.000 0.493 493 E N 0.308 120.524 120.200 0.027 0.000 2.331 493 E HA 0.271 4.652 4.350 0.053 0.000 0.275 493 E C -1.001 175.697 176.600 0.163 0.000 0.895 493 E CA -0.919 55.533 56.400 0.087 0.000 0.753 493 E CB 2.434 32.200 29.700 0.110 0.000 1.216 493 E HN -0.189 nan 8.360 nan 0.000 0.434 494 L N 3.717 125.048 121.223 0.179 0.000 2.525 494 L HA 0.143 4.515 4.340 0.053 0.000 0.278 494 L C -1.782 175.214 176.870 0.209 0.000 1.218 494 L CA -1.088 53.899 54.840 0.245 0.000 0.878 494 L CB -0.849 41.299 42.059 0.148 0.000 1.127 494 L HN 0.455 nan 8.230 nan 0.000 0.492 495 P HA 0.190 nan 4.420 nan 0.000 0.278 495 P C 0.236 177.566 177.300 0.049 0.000 1.258 495 P CA -0.704 62.457 63.100 0.102 0.000 0.811 495 P CB 1.174 32.848 31.700 -0.042 0.000 1.063 496 K N 0.233 120.644 120.400 0.019 0.000 2.026 496 K HA -0.070 4.281 4.320 0.053 0.000 0.208 496 K C 1.492 178.090 176.600 -0.003 0.000 1.048 496 K CA 2.159 58.453 56.287 0.010 0.000 0.929 496 K CB -0.561 31.941 32.500 0.003 0.000 0.713 496 K HN 0.701 nan 8.250 nan 0.000 0.439 497 G N -1.310 107.475 108.800 -0.025 0.000 2.506 497 G HA2 0.141 4.133 3.960 0.053 0.000 0.188 497 G HA3 0.141 4.133 3.960 0.053 0.000 0.188 497 G C -0.527 174.337 174.900 -0.060 0.000 1.780 497 G CA -0.231 44.851 45.100 -0.030 0.000 0.727 497 G HN 0.192 nan 8.290 nan 0.000 0.784 498 T N 0.601 115.102 114.554 -0.088 0.000 2.856 498 T HA 0.685 5.067 4.350 0.053 0.000 0.283 498 T C -0.968 173.594 174.700 -0.231 0.000 1.008 498 T CA -0.140 61.871 62.100 -0.148 0.000 0.997 498 T CB 1.743 70.564 68.868 -0.078 0.000 0.992 498 T HN 0.317 nan 8.240 nan 0.000 0.454 499 S N 2.360 117.788 115.700 -0.454 0.000 2.549 499 S HA 0.722 5.224 4.470 0.053 0.000 0.280 499 S C -2.806 171.623 174.600 -0.286 0.000 1.109 499 S CA -1.609 56.347 58.200 -0.406 0.000 0.905 499 S CB 1.524 64.454 63.200 -0.450 0.000 1.081 499 S HN 0.370 nan 8.310 nan 0.000 0.477 500 P HA 0.357 nan 4.420 nan 0.000 0.281 500 P C -0.073 177.449 177.300 0.370 0.000 1.249 500 P CA -0.479 62.728 63.100 0.179 0.000 0.810 500 P CB 1.039 32.786 31.700 0.078 0.000 1.008 501 L N 2.456 123.930 121.223 0.419 0.000 2.678 501 L HA 0.558 4.930 4.340 0.053 0.000 0.211 501 L C -0.587 176.427 176.870 0.240 0.000 1.043 501 L CA 0.814 55.864 54.840 0.349 0.000 0.881 501 L CB 0.038 42.292 42.059 0.325 0.000 1.361 501 L HN 0.273 nan 8.230 nan 0.000 0.484 502 L N -0.213 121.093 121.223 0.138 0.000 2.592 502 L HA 0.764 5.136 4.340 0.053 0.000 0.258 502 L C -0.725 175.850 176.870 -0.492 0.000 0.926 502 L CA 0.597 55.349 54.840 -0.147 0.000 0.885 502 L CB 1.634 43.660 42.059 -0.055 0.000 1.380 502 L HN 0.311 nan 8.230 nan 0.000 0.415 503 G N 2.267 110.416 108.800 -1.085 0.000 2.340 503 G HA2 0.678 4.670 3.960 0.053 0.000 0.299 503 G HA3 0.678 4.670 3.960 0.053 0.000 0.299 503 G C -2.067 172.472 174.900 -0.601 0.000 1.291 503 G CA -0.134 44.482 45.100 -0.806 0.000 0.841 503 G HN 0.996 nan 8.290 nan 0.000 0.500 504 A N -0.462 122.267 122.820 -0.151 0.000 2.273 504 A HA 0.847 5.199 4.320 0.053 0.000 0.315 504 A C 0.502 178.044 177.584 -0.070 0.000 1.256 504 A CA 0.311 52.239 52.037 -0.182 0.000 0.851 504 A CB 0.808 19.725 19.000 -0.137 0.000 1.172 504 A HN 1.891 nan 8.150 nan 0.000 0.508 505 G N 1.023 109.700 108.800 -0.206 0.000 2.477 505 G HA2 0.574 4.566 3.960 0.053 0.000 0.304 505 G HA3 0.574 4.566 3.960 0.053 0.000 0.304 505 G C -0.510 174.318 174.900 -0.119 0.000 1.175 505 G CA -0.591 44.437 45.100 -0.121 0.000 0.907 505 G HN 0.666 nan 8.290 nan 0.000 0.509 506 L N 0.644 121.848 121.223 -0.033 0.000 2.342 506 L HA 0.381 4.753 4.340 0.053 0.000 0.271 506 L C 0.047 176.916 176.870 -0.001 0.000 1.008 506 L CA -1.000 53.823 54.840 -0.028 0.000 0.818 506 L CB 2.017 44.068 42.059 -0.014 0.000 1.296 506 L HN 0.437 nan 8.230 nan 0.000 0.427 507 E N 1.445 121.638 120.200 -0.013 0.000 2.415 507 E HA 0.413 4.795 4.350 0.053 0.000 0.262 507 E C 0.273 176.869 176.600 -0.007 0.000 1.038 507 E CA 0.479 56.874 56.400 -0.008 0.000 0.921 507 E CB 1.068 30.755 29.700 -0.023 0.000 0.950 507 E HN 0.802 nan 8.360 nan 0.000 0.438 508 G N 2.503 111.299 108.800 -0.006 0.000 2.381 508 G HA2 -0.061 3.931 3.960 0.053 0.000 0.672 508 G HA3 -0.061 3.931 3.960 0.053 0.000 0.672 508 G C -2.644 172.253 174.900 -0.005 0.000 1.324 508 G CA -0.881 44.215 45.100 -0.006 0.000 0.975 508 G HN 0.466 nan 8.290 nan 0.000 0.593 509 P HA 0.548 nan 4.420 nan 0.000 0.271 509 P C 0.877 178.174 177.300 -0.006 0.000 1.218 509 P CA 1.479 64.575 63.100 -0.007 0.000 0.780 509 P CB 1.017 32.714 31.700 -0.006 0.000 0.901 510 G N 2.529 111.324 108.800 -0.008 0.000 2.548 510 G HA2 -0.096 3.896 3.960 0.053 0.000 0.208 510 G HA3 -0.096 3.896 3.960 0.053 0.000 0.208 510 G C -0.706 174.186 174.900 -0.012 0.000 1.308 510 G CA 0.128 45.223 45.100 -0.009 0.000 0.924 510 G HN 0.717 nan 8.290 nan 0.000 0.540 511 D N -0.599 119.792 120.400 -0.015 0.000 2.760 511 D HA 0.541 5.213 4.640 0.053 0.000 0.314 511 D C 0.708 176.995 176.300 -0.022 0.000 1.464 511 D CA 0.666 54.650 54.000 -0.026 0.000 0.797 511 D CB 0.052 40.833 40.800 -0.033 0.000 1.149 511 D HN 1.258 nan 8.370 nan 0.000 0.455 512 A N 0.698 123.514 122.820 -0.007 0.000 2.371 512 A HA 0.534 4.886 4.320 0.053 0.000 0.257 512 A C 0.058 177.649 177.584 0.012 0.000 1.089 512 A CA -0.164 51.875 52.037 0.003 0.000 0.794 512 A CB 0.711 19.715 19.000 0.007 0.000 1.029 512 A HN 0.135 nan 8.150 nan 0.000 0.488 513 K N 0.887 121.305 120.400 0.030 0.000 2.318 513 K HA 0.447 4.799 4.320 0.053 0.000 0.249 513 K C 0.453 177.086 176.600 0.055 0.000 0.942 513 K CA -0.757 55.566 56.287 0.060 0.000 0.808 513 K CB 1.798 34.367 32.500 0.115 0.000 1.189 513 K HN 0.459 nan 8.250 nan 0.000 0.428 514 L N 2.102 123.362 121.223 0.061 0.000 2.084 514 L HA 0.307 4.678 4.340 0.053 0.000 0.202 514 L C -0.392 176.536 176.870 0.096 0.000 1.074 514 L CA 1.494 56.381 54.840 0.079 0.000 0.757 514 L CB 0.089 42.210 42.059 0.103 0.000 0.918 514 L HN 0.592 nan 8.230 nan 0.000 0.444 515 L N -1.074 120.221 121.223 0.121 0.000 2.505 515 L HA 0.758 5.130 4.340 0.053 0.000 0.259 515 L C -0.656 176.249 176.870 0.059 0.000 0.952 515 L CA 0.498 55.383 54.840 0.076 0.000 0.840 515 L CB 1.672 43.805 42.059 0.124 0.000 1.358 515 L HN 0.183 nan 8.230 nan 0.000 0.409 516 G N 2.403 111.180 108.800 -0.038 0.000 2.430 516 G HA2 0.566 4.558 3.960 0.053 0.000 0.300 516 G HA3 0.566 4.558 3.960 0.053 0.000 0.300 516 G C -2.739 172.121 174.900 -0.066 0.000 1.330 516 G CA -0.392 44.697 45.100 -0.020 0.000 0.813 516 G HN 0.934 nan 8.290 nan 0.000 0.487 517 L N 0.031 121.262 121.223 0.014 0.000 2.464 517 L HA 0.872 5.244 4.340 0.053 0.000 0.266 517 L C -0.422 176.557 176.870 0.182 0.000 0.965 517 L CA -0.332 54.530 54.840 0.036 0.000 0.833 517 L CB 1.922 43.955 42.059 -0.042 0.000 1.296 517 L HN 0.683 nan 8.230 nan 0.000 0.405 518 S N 2.330 118.163 115.700 0.221 0.000 2.709 518 S HA 0.860 5.362 4.470 0.053 0.000 0.302 518 S C -1.599 173.230 174.600 0.382 0.000 1.127 518 S CA -0.337 58.013 58.200 0.250 0.000 0.905 518 S CB 1.725 64.988 63.200 0.106 0.000 1.151 518 S HN 0.607 nan 8.310 nan 0.000 0.510 519 Y N -0.341 120.064 120.300 0.174 0.000 2.581 519 Y HA 0.833 5.414 4.550 0.053 0.000 0.345 519 Y C -0.976 175.040 175.900 0.194 0.000 1.036 519 Y CA -1.207 57.004 58.100 0.185 0.000 1.042 519 Y CB 0.936 39.339 38.460 -0.095 0.000 1.289 519 Y HN 0.659 nan 8.280 nan 0.000 0.471 520 D N -0.462 120.111 120.400 0.290 0.000 2.614 520 D HA 0.227 4.899 4.640 0.053 0.000 0.264 520 D C 0.030 176.424 176.300 0.158 0.000 1.092 520 D CA -1.071 52.994 54.000 0.108 0.000 1.071 520 D CB 1.466 42.297 40.800 0.051 0.000 1.443 520 D HN 0.729 nan 8.370 nan 0.000 0.528 521 K N -0.702 119.729 120.400 0.053 0.000 2.439 521 K HA 0.025 4.377 4.320 0.053 0.000 0.197 521 K C 0.149 176.723 176.600 -0.043 0.000 1.041 521 K CA 0.496 56.802 56.287 0.033 0.000 0.970 521 K CB -0.317 32.189 32.500 0.010 0.000 0.773 521 K HN 0.154 nan 8.250 nan 0.000 0.479 522 N N 1.542 120.194 118.700 -0.080 0.000 2.270 522 N HA 0.066 4.837 4.740 0.053 0.000 0.198 522 N C -0.621 174.691 175.510 -0.330 0.000 1.117 522 N CA 0.040 52.997 53.050 -0.154 0.000 0.845 522 N CB 0.315 38.738 38.487 -0.107 0.000 0.980 522 N HN 0.202 nan 8.380 nan 0.000 0.486 523 R N 0.311 120.519 120.500 -0.487 0.000 3.423 523 R HA -0.165 4.207 4.340 0.053 0.000 0.271 523 R C -0.592 175.001 176.300 -1.178 0.000 1.093 523 R CA 0.597 55.897 56.100 -1.333 0.000 0.730 523 R CB -1.971 27.454 30.300 -1.458 0.000 1.190 523 R HN 0.420 nan 8.270 nan 0.000 0.437 524 Q N -0.579 118.984 119.800 -0.396 0.000 2.351 524 Q HA 0.369 4.741 4.340 0.053 0.000 0.273 524 Q C -0.324 175.804 176.000 0.213 0.000 1.077 524 Q CA -0.809 54.897 55.803 -0.162 0.000 0.843 524 Q CB 1.197 29.912 28.738 -0.038 0.000 1.367 524 Q HN 0.154 nan 8.270 nan 0.000 0.449 525 W N 0.735 122.232 121.300 0.328 0.000 2.251 525 W HA 0.387 5.079 4.660 0.053 0.000 0.329 525 W C 0.373 176.978 176.519 0.142 0.000 1.234 525 W CA -0.476 57.016 57.345 0.245 0.000 1.228 525 W CB 0.747 30.290 29.460 0.140 0.000 1.135 525 W HN 0.230 nan 8.180 nan 0.000 0.576 526 R N 2.990 123.726 120.500 0.393 0.000 2.607 526 R HA 0.219 4.591 4.340 0.053 0.000 0.278 526 R C -2.580 173.787 176.300 0.111 0.000 1.637 526 R CA -1.655 54.569 56.100 0.205 0.000 1.325 526 R CB 0.990 31.378 30.300 0.146 0.000 1.211 526 R HN 0.105 nan 8.270 nan 0.000 0.565 527 P HA 0.113 nan 4.420 nan 0.000 0.275 527 P C -0.667 176.416 177.300 -0.360 0.000 1.227 527 P CA -0.106 62.860 63.100 -0.223 0.000 0.781 527 P CB 1.202 32.731 31.700 -0.285 0.000 0.906 528 L N 4.079 125.044 121.223 -0.431 0.000 2.298 528 L HA 0.393 4.764 4.340 0.053 0.000 0.284 528 L C -0.298 176.317 176.870 -0.424 0.000 1.013 528 L CA -0.790 53.876 54.840 -0.290 0.000 0.824 528 L CB 0.608 42.621 42.059 -0.077 0.000 1.221 528 L HN 0.346 nan 8.230 nan 0.000 0.418 529 Y N 2.498 122.812 120.300 0.024 0.000 2.717 529 Y HA 0.520 5.102 4.550 0.053 0.000 0.329 529 Y C 1.218 177.126 175.900 0.013 0.000 1.017 529 Y CA -0.011 58.095 58.100 0.009 0.000 1.275 529 Y CB 1.171 39.625 38.460 -0.010 0.000 1.109 529 Y HN 0.911 nan 8.280 nan 0.000 0.511 530 G N 1.959 110.828 108.800 0.115 0.000 2.583 530 G HA2 -0.337 3.655 3.960 0.053 0.000 0.292 530 G HA3 -0.337 3.655 3.960 0.053 0.000 0.292 530 G C 0.991 175.932 174.900 0.068 0.000 1.203 530 G CA 0.286 45.437 45.100 0.084 0.000 0.987 530 G HN 0.888 nan 8.290 nan 0.000 0.554 531 A N 0.339 123.195 122.820 0.059 0.000 2.308 531 A HA 0.763 5.115 4.320 0.053 0.000 0.217 531 A C 1.575 179.188 177.584 0.049 0.000 1.216 531 A CA 1.531 53.595 52.037 0.045 0.000 0.864 531 A CB -0.525 18.494 19.000 0.031 0.000 0.902 531 A HN 2.425 nan 8.150 nan 0.000 0.499 532 A N 1.879 124.741 122.820 0.070 0.000 2.520 532 A HA 0.473 4.825 4.320 0.053 0.000 0.235 532 A C -1.890 175.738 177.584 0.073 0.000 1.065 532 A CA -0.786 51.295 52.037 0.072 0.000 0.764 532 A CB -0.412 18.645 19.000 0.095 0.000 1.002 532 A HN 0.344 nan 8.150 nan 0.000 0.502 533 P HA 0.284 nan 4.420 nan 0.000 0.267 533 P C -0.077 177.266 177.300 0.072 0.000 1.205 533 P CA 0.211 63.342 63.100 0.051 0.000 0.765 533 P CB 0.625 32.348 31.700 0.039 0.000 0.828 534 A N 3.740 126.598 122.820 0.063 0.000 2.445 534 A HA 0.439 4.790 4.320 0.053 0.000 0.242 534 A C 0.436 178.066 177.584 0.076 0.000 1.075 534 A CA 0.024 52.107 52.037 0.076 0.000 0.777 534 A CB -0.223 18.810 19.000 0.055 0.000 1.013 534 A HN 0.614 nan 8.150 nan 0.000 0.493 535 S N 2.106 117.863 115.700 0.096 0.000 2.557 535 S HA 0.703 5.205 4.470 0.053 0.000 0.291 535 S C -3.049 171.610 174.600 0.098 0.000 1.116 535 S CA -1.426 56.821 58.200 0.079 0.000 0.992 535 S CB 1.487 64.729 63.200 0.069 0.000 1.028 535 S HN 0.543 nan 8.310 nan 0.000 0.484 536 P HA 0.491 nan 4.420 nan 0.000 0.272 536 P C -0.349 177.018 177.300 0.111 0.000 1.223 536 P CA -0.032 63.133 63.100 0.108 0.000 0.784 536 P CB 0.698 32.440 31.700 0.069 0.000 0.923 537 T N -0.527 114.120 114.554 0.155 0.000 2.889 537 T HA 0.583 4.965 4.350 0.053 0.000 0.315 537 T C -0.131 174.687 174.700 0.197 0.000 1.291 537 T CA 0.550 62.738 62.100 0.147 0.000 1.028 537 T CB 0.694 69.650 68.868 0.146 0.000 1.235 537 T HN 0.806 nan 8.240 nan 0.000 0.491 538 G N 2.058 110.947 108.800 0.148 0.000 2.645 538 G HA2 0.089 4.080 3.960 0.053 0.000 0.246 538 G HA3 0.089 4.080 3.960 0.053 0.000 0.246 538 G C -0.168 174.759 174.900 0.046 0.000 1.322 538 G CA 0.167 45.368 45.100 0.169 0.000 0.898 538 G HN 1.639 nan 8.290 nan 0.000 0.573 539 S N -0.295 115.424 115.700 0.032 0.000 2.533 539 S HA 0.740 5.242 4.470 0.053 0.000 0.271 539 S C -0.824 173.683 174.600 -0.156 0.000 1.143 539 S CA 0.356 58.445 58.200 -0.185 0.000 0.891 539 S CB 0.805 63.949 63.200 -0.093 0.000 1.105 539 S HN 1.625 nan 8.310 nan 0.000 0.468 540 W N 0.999 122.080 121.300 -0.365 0.000 3.032 540 W HA 0.860 5.552 4.660 0.053 0.000 0.341 540 W C -0.677 175.791 176.519 -0.085 0.000 1.202 540 W CA -0.553 56.608 57.345 -0.308 0.000 1.132 540 W CB 0.551 29.424 29.460 -0.979 0.000 1.465 540 W HN 0.805 nan 8.180 nan 0.000 0.576 541 E N 1.365 121.913 120.200 0.579 0.000 2.238 541 E HA 0.570 4.952 4.350 0.053 0.000 0.267 541 E C -0.958 175.971 176.600 0.547 0.000 0.887 541 E CA -1.189 55.430 56.400 0.364 0.000 0.769 541 E CB 2.173 32.016 29.700 0.238 0.000 1.187 541 E HN 0.564 nan 8.360 nan 0.000 0.416 542 L N 1.888 123.318 121.223 0.345 0.000 2.543 542 L HA 0.129 4.501 4.340 0.053 0.000 0.285 542 L C 0.668 177.535 176.870 -0.006 0.000 1.236 542 L CA 1.050 55.932 54.840 0.072 0.000 0.871 542 L CB -0.090 41.810 42.059 -0.265 0.000 1.121 542 L HN 1.138 nan 8.230 nan 0.000 0.501 543 H N -0.926 118.233 119.070 0.148 0.000 3.395 543 H HA -0.223 4.365 4.556 0.053 0.000 0.222 543 H C 0.211 175.572 175.328 0.055 0.000 1.099 543 H CA 1.274 57.370 56.048 0.081 0.000 1.182 543 H CB -0.986 28.814 29.762 0.065 0.000 1.188 543 H HN 0.492 nan 8.280 nan 0.000 0.317 544 K N 1.666 122.150 120.400 0.139 0.000 2.130 544 K HA 0.601 4.953 4.320 0.053 0.000 0.268 544 K C 0.122 176.597 176.600 -0.209 0.000 0.983 544 K CA 0.078 56.341 56.287 -0.039 0.000 0.893 544 K CB 0.800 33.253 32.500 -0.079 0.000 1.066 544 K HN 0.265 nan 8.250 nan 0.000 0.450 545 K N 3.204 123.476 120.400 -0.213 0.000 2.339 545 K HA 0.209 4.561 4.320 0.053 0.000 0.286 545 K C -1.362 175.065 176.600 -0.289 0.000 1.050 545 K CA 0.243 56.452 56.287 -0.130 0.000 0.956 545 K CB -0.040 32.452 32.500 -0.012 0.000 0.990 545 K HN 0.555 nan 8.250 nan 0.000 0.475 546 Y N 0.099 120.523 120.300 0.206 0.000 2.446 546 Y HA 0.364 4.945 4.550 0.053 0.000 0.345 546 Y C 0.134 176.173 175.900 0.231 0.000 0.984 546 Y CA -0.837 57.407 58.100 0.241 0.000 1.058 546 Y CB 2.258 40.883 38.460 0.276 0.000 1.220 546 Y HN 0.838 nan 8.280 nan 0.000 0.455 547 H N 1.846 121.100 119.070 0.306 0.000 2.552 547 H HA 0.630 5.218 4.556 0.053 0.000 0.311 547 H C -1.434 173.951 175.328 0.096 0.000 1.071 547 H CA -0.471 55.711 56.048 0.222 0.000 1.307 547 H CB 0.675 30.643 29.762 0.344 0.000 1.416 547 H HN 0.418 nan 8.280 nan 0.000 0.464 548 V N 6.485 126.248 119.914 -0.253 0.000 2.459 548 V HA 0.408 4.560 4.120 0.053 0.000 0.295 548 V C -0.626 175.297 176.094 -0.285 0.000 1.029 548 V CA -0.774 61.381 62.300 -0.242 0.000 0.874 548 V CB 1.675 33.392 31.823 -0.177 0.000 0.985 548 V HN 0.599 nan 8.190 nan 0.000 0.438 549 V N 5.990 125.819 119.914 -0.142 0.000 2.638 549 V HA 0.514 4.666 4.120 0.053 0.000 0.306 549 V C -0.550 175.574 176.094 0.049 0.000 1.052 549 V CA -0.486 61.773 62.300 -0.068 0.000 0.885 549 V CB 2.023 33.792 31.823 -0.091 0.000 0.999 549 V HN 0.655 nan 8.190 nan 0.000 0.424 550 L N 3.333 124.582 121.223 0.043 0.000 2.317 550 L HA 0.689 5.060 4.340 0.053 0.000 0.281 550 L C -0.000 176.868 176.870 -0.002 0.000 1.024 550 L CA -0.244 54.632 54.840 0.061 0.000 0.810 550 L CB 2.052 44.194 42.059 0.138 0.000 1.240 550 L HN 0.540 nan 8.230 nan 0.000 0.427 551 T N 4.538 119.053 114.554 -0.066 0.000 2.812 551 T HA 0.550 4.932 4.350 0.053 0.000 0.282 551 T C -0.733 173.753 174.700 -0.357 0.000 0.990 551 T CA -0.372 61.619 62.100 -0.182 0.000 0.960 551 T CB 1.119 70.007 68.868 0.033 0.000 0.948 551 T HN 0.325 nan 8.240 nan 0.000 0.438 552 M N 4.011 123.246 119.600 -0.609 0.000 2.213 552 M HA 0.746 5.258 4.480 0.053 0.000 0.286 552 M C -1.638 174.437 176.300 -0.374 0.000 1.008 552 M CA -0.500 54.471 55.300 -0.548 0.000 0.937 552 M CB 1.086 33.145 32.600 -0.902 0.000 1.600 552 M HN 0.769 nan 8.290 nan 0.000 0.450 553 A N 3.608 126.271 122.820 -0.261 0.000 2.612 553 A HA 0.632 4.984 4.320 0.053 0.000 0.293 553 A C -0.549 176.904 177.584 -0.219 0.000 1.075 553 A CA -0.445 51.429 52.037 -0.271 0.000 0.680 553 A CB 0.814 19.670 19.000 -0.241 0.000 1.279 553 A HN 0.831 nan 8.150 nan 0.000 0.411 554 D N 0.456 120.702 120.400 -0.256 0.000 2.737 554 D HA -0.199 4.473 4.640 0.053 0.000 0.233 554 D C 0.594 176.832 176.300 -0.103 0.000 1.155 554 D CA 1.737 55.645 54.000 -0.154 0.000 0.667 554 D CB -1.052 39.683 40.800 -0.109 0.000 1.060 554 D HN 0.774 nan 8.370 nan 0.000 0.427 555 R N -2.756 117.681 120.500 -0.105 0.000 4.000 555 R HA -0.268 4.104 4.340 0.053 0.000 0.362 555 R C -0.027 176.242 176.300 -0.052 0.000 1.183 555 R CA 1.233 57.300 56.100 -0.056 0.000 1.011 555 R CB -1.636 28.648 30.300 -0.026 0.000 1.501 555 R HN 0.494 nan 8.270 nan 0.000 0.553 556 Q N -0.498 119.254 119.800 -0.079 0.000 2.301 556 Q HA 0.659 5.031 4.340 0.053 0.000 0.267 556 Q C 0.168 176.126 176.000 -0.071 0.000 1.035 556 Q CA -0.296 55.467 55.803 -0.067 0.000 0.856 556 Q CB 2.398 31.091 28.738 -0.076 0.000 1.337 556 Q HN 0.246 nan 8.270 nan 0.000 0.450 557 G N 0.385 109.176 108.800 -0.015 0.000 2.591 557 G HA2 0.609 4.601 3.960 0.053 0.000 0.306 557 G HA3 0.609 4.601 3.960 0.053 0.000 0.306 557 G C -1.103 173.847 174.900 0.084 0.000 1.334 557 G CA -0.334 44.779 45.100 0.022 0.000 0.981 557 G HN 0.427 nan 8.290 nan 0.000 0.491 558 S N -0.703 115.019 115.700 0.038 0.000 2.570 558 S HA 0.741 5.242 4.470 0.053 0.000 0.286 558 S C -0.685 173.896 174.600 -0.032 0.000 1.099 558 S CA -0.590 57.606 58.200 -0.006 0.000 0.913 558 S CB 2.166 65.288 63.200 -0.130 0.000 1.085 558 S HN 0.590 nan 8.310 nan 0.000 0.480 559 V N 2.662 122.496 119.914 -0.134 0.000 2.531 559 V HA 0.493 4.645 4.120 0.053 0.000 0.301 559 V C -1.676 174.230 176.094 -0.313 0.000 1.034 559 V CA -0.635 61.574 62.300 -0.151 0.000 0.865 559 V CB 1.084 32.804 31.823 -0.172 0.000 0.995 559 V HN 0.857 nan 8.190 nan 0.000 0.424 560 Y N 2.797 123.007 120.300 -0.151 0.000 2.377 560 Y HA 0.714 5.295 4.550 0.053 0.000 0.339 560 Y C -0.011 175.744 175.900 -0.242 0.000 1.011 560 Y CA -0.913 57.089 58.100 -0.164 0.000 1.093 560 Y CB 2.182 40.574 38.460 -0.114 0.000 1.201 560 Y HN 0.361 nan 8.280 nan 0.000 0.455 561 V N 2.986 122.820 119.914 -0.133 0.000 2.540 561 V HA 0.249 4.400 4.120 0.053 0.000 0.302 561 V C -0.631 175.402 176.094 -0.101 0.000 1.035 561 V CA -1.162 61.019 62.300 -0.198 0.000 0.873 561 V CB 1.555 33.108 31.823 -0.449 0.000 0.992 561 V HN 0.879 nan 8.190 nan 0.000 0.428 562 D N 3.938 124.285 120.400 -0.089 0.000 2.751 562 D HA -0.196 4.476 4.640 0.053 0.000 0.233 562 D C 1.319 177.066 176.300 -0.922 0.000 1.149 562 D CA 1.826 55.479 54.000 -0.579 0.000 0.682 562 D CB -1.144 39.520 40.800 -0.226 0.000 1.068 562 D HN 1.464 nan 8.370 nan 0.000 0.429 563 G N -1.336 107.191 108.800 -0.454 0.000 2.162 563 G HA2 -0.327 3.665 3.960 0.053 0.000 0.260 563 G HA3 -0.327 3.665 3.960 0.053 0.000 0.260 563 G C 0.056 174.942 174.900 -0.024 0.000 0.976 563 G CA 0.423 45.361 45.100 -0.270 0.000 0.655 563 G HN 0.400 nan 8.290 nan 0.000 0.533 564 Q N 0.251 120.064 119.800 0.021 0.000 2.365 564 Q HA 0.513 4.885 4.340 0.053 0.000 0.269 564 Q C -2.588 173.425 176.000 0.022 0.000 1.061 564 Q CA -2.041 53.804 55.803 0.071 0.000 0.816 564 Q CB 2.787 31.519 28.738 -0.011 0.000 1.325 564 Q HN 0.296 nan 8.270 nan 0.000 0.446 565 P HA 0.227 nan 4.420 nan 0.000 0.278 565 P C -0.391 176.759 177.300 -0.250 0.000 1.238 565 P CA -0.232 62.566 63.100 -0.504 0.000 0.794 565 P CB 0.953 32.337 31.700 -0.526 0.000 0.955 566 L N 1.552 122.635 121.223 -0.233 0.000 2.421 566 L HA 0.491 4.863 4.340 0.053 0.000 0.263 566 L C 1.167 178.010 176.870 -0.045 0.000 1.122 566 L CA -1.179 53.604 54.840 -0.095 0.000 0.804 566 L CB 0.474 42.489 42.059 -0.073 0.000 1.150 566 L HN 0.406 nan 8.230 nan 0.000 0.457 567 A N 1.059 123.879 122.820 0.000 0.000 2.587 567 A HA 0.327 4.678 4.320 0.053 0.000 0.233 567 A C 1.249 178.826 177.584 -0.011 0.000 1.049 567 A CA 0.826 52.858 52.037 -0.008 0.000 0.754 567 A CB -0.471 18.542 19.000 0.021 0.000 0.977 567 A HN 1.187 nan 8.150 nan 0.000 0.509 568 G N 1.150 109.858 108.800 -0.154 0.000 2.199 568 G HA2 -0.215 3.777 3.960 0.053 0.000 0.254 568 G HA3 -0.215 3.777 3.960 0.053 0.000 0.254 568 G C 0.594 175.037 174.900 -0.762 0.000 0.982 568 G CA 0.491 45.324 45.100 -0.444 0.000 0.632 568 G HN 1.261 nan 8.290 nan 0.000 0.529 569 S N -0.002 115.486 115.700 -0.354 0.000 2.572 569 S HA 0.470 4.972 4.470 0.053 0.000 0.279 569 S C 1.605 176.048 174.600 -0.262 0.000 1.341 569 S CA 1.387 59.428 58.200 -0.264 0.000 1.043 569 S CB 1.097 64.165 63.200 -0.219 0.000 0.887 569 S HN 2.092 nan 8.310 nan 0.000 0.516 570 G N 2.740 111.424 108.800 -0.194 0.000 2.199 570 G HA2 -0.234 3.757 3.960 0.053 0.000 0.254 570 G HA3 -0.234 3.757 3.960 0.053 0.000 0.254 570 G C -0.026 174.769 174.900 -0.176 0.000 0.982 570 G CA -0.297 44.712 45.100 -0.152 0.000 0.632 570 G HN 0.612 nan 8.290 nan 0.000 0.529 571 N N 1.386 119.910 118.700 -0.293 0.000 2.454 571 N HA 0.353 5.125 4.740 0.053 0.000 0.254 571 N C 0.561 176.006 175.510 -0.109 0.000 1.228 571 N CA 0.625 53.523 53.050 -0.253 0.000 0.900 571 N CB 0.474 38.699 38.487 -0.437 0.000 1.089 571 N HN 0.202 nan 8.380 nan 0.000 0.449 572 T N 0.853 115.365 114.554 -0.071 0.000 2.867 572 T HA 0.116 4.497 4.350 0.053 0.000 0.297 572 T C 1.628 176.334 174.700 0.011 0.000 0.989 572 T CA -0.256 61.826 62.100 -0.029 0.000 1.159 572 T CB 0.303 69.155 68.868 -0.027 0.000 0.928 572 T HN 0.406 nan 8.240 nan 0.000 0.538 573 V N 2.325 122.253 119.914 0.024 0.000 3.523 573 V HA 0.490 4.641 4.120 0.053 0.000 0.255 573 V C 0.549 176.667 176.094 0.040 0.000 1.226 573 V CA 0.068 62.402 62.300 0.056 0.000 1.092 573 V CB 0.265 32.129 31.823 0.069 0.000 0.817 573 V HN 0.530 nan 8.190 nan 0.000 0.458 574 V N 0.780 120.708 119.914 0.023 0.000 2.925 574 V HA 0.787 4.938 4.120 0.053 0.000 0.311 574 V C -1.021 175.081 176.094 0.014 0.000 1.104 574 V CA -0.702 61.611 62.300 0.022 0.000 0.954 574 V CB 2.407 34.245 31.823 0.025 0.000 1.022 574 V HN 0.526 nan 8.190 nan 0.000 0.427 575 R N 2.561 123.069 120.500 0.014 0.000 2.664 575 R HA 0.896 5.268 4.340 0.053 0.000 0.286 575 R C 0.152 176.460 176.300 0.013 0.000 0.967 575 R CA 0.778 56.884 56.100 0.011 0.000 0.933 575 R CB 1.516 31.821 30.300 0.009 0.000 1.146 575 R HN 1.639 nan 8.270 nan 0.000 0.468 576 G N 0.638 109.445 108.800 0.012 0.000 2.631 576 G HA2 -0.012 3.980 3.960 0.053 0.000 0.504 576 G HA3 -0.012 3.980 3.960 0.053 0.000 0.504 576 G C 0.053 174.964 174.900 0.019 0.000 1.306 576 G CA -0.273 44.835 45.100 0.014 0.000 0.897 576 G HN 0.688 nan 8.290 nan 0.000 0.520 577 A N -1.115 121.716 122.820 0.019 0.000 2.132 577 A HA 0.518 4.870 4.320 0.053 0.000 0.213 577 A C 1.477 179.076 177.584 0.024 0.000 1.154 577 A CA 2.040 54.091 52.037 0.023 0.000 0.753 577 A CB -0.141 18.871 19.000 0.020 0.000 0.826 577 A HN 1.506 nan 8.150 nan 0.000 0.469 578 T N 1.880 116.447 114.554 0.022 0.000 2.799 578 T HA 0.348 4.730 4.350 0.053 0.000 0.296 578 T C 0.203 174.919 174.700 0.026 0.000 0.947 578 T CA -0.044 62.069 62.100 0.022 0.000 1.141 578 T CB 0.229 69.109 68.868 0.019 0.000 0.891 578 T HN 0.264 nan 8.240 nan 0.000 0.533 579 L N 5.735 126.974 121.223 0.026 0.000 2.559 579 L HA 0.101 4.472 4.340 0.053 0.000 0.282 579 L C -1.531 175.354 176.870 0.024 0.000 1.232 579 L CA -1.506 53.354 54.840 0.034 0.000 0.885 579 L CB 0.048 42.120 42.059 0.022 0.000 1.131 579 L HN 0.419 nan 8.230 nan 0.000 0.498 580 P HA -0.027 nan 4.420 nan 0.000 0.270 580 P C -0.889 176.406 177.300 -0.010 0.000 1.227 580 P CA -0.025 63.083 63.100 0.013 0.000 0.788 580 P CB 0.424 32.139 31.700 0.025 0.000 0.926 581 D N 1.127 121.510 120.400 -0.028 0.000 2.441 581 D HA 0.237 4.909 4.640 0.053 0.000 0.287 581 D C -0.365 175.884 176.300 -0.084 0.000 1.198 581 D CA -0.326 53.643 54.000 -0.052 0.000 0.894 581 D CB -0.593 40.185 40.800 -0.037 0.000 1.070 581 D HN 0.153 nan 8.370 nan 0.000 0.499 582 I N 1.779 122.267 120.570 -0.135 0.000 2.683 582 I HA -0.039 4.163 4.170 0.053 0.000 0.286 582 I C 1.807 177.802 176.117 -0.204 0.000 1.175 582 I CA 0.105 61.276 61.300 -0.215 0.000 1.429 582 I CB 1.093 38.867 38.000 -0.376 0.000 1.371 582 I HN 0.296 nan 8.210 nan 0.000 0.569 583 S N 5.237 120.860 115.700 -0.128 0.000 2.388 583 S HA 0.003 4.505 4.470 0.053 0.000 0.223 583 S C 0.414 175.039 174.600 0.041 0.000 1.034 583 S CA 0.392 58.590 58.200 -0.003 0.000 0.963 583 S CB -0.035 63.259 63.200 0.156 0.000 0.827 583 S HN 0.839 nan 8.310 nan 0.000 0.481 584 H N -1.491 117.432 119.070 -0.245 0.000 2.904 584 H HA 0.478 5.066 4.556 0.053 0.000 0.290 584 H C -1.983 173.136 175.328 -0.349 0.000 1.437 584 H CA -1.487 54.419 56.048 -0.237 0.000 1.147 584 H CB -0.220 29.539 29.762 -0.006 0.000 1.824 584 H HN 0.184 nan 8.280 nan 0.000 0.505 585 F N 1.354 121.309 119.950 0.009 0.000 2.422 585 F HA 0.410 4.969 4.527 0.053 0.000 0.333 585 F C -0.114 175.758 175.800 0.120 0.000 1.095 585 F CA -0.897 57.035 58.000 -0.114 0.000 1.038 585 F CB 1.260 40.243 39.000 -0.028 0.000 1.156 585 F HN 0.453 nan 8.300 nan 0.000 0.483 586 Y N 0.592 120.998 120.300 0.177 0.000 2.446 586 Y HA 0.853 5.435 4.550 0.053 0.000 0.338 586 Y C -1.146 174.861 175.900 0.179 0.000 1.055 586 Y CA -1.822 56.412 58.100 0.223 0.000 1.101 586 Y CB 0.958 39.517 38.460 0.166 0.000 1.221 586 Y HN 0.395 nan 8.280 nan 0.000 0.460 587 I N 3.500 124.231 120.570 0.268 0.000 2.478 587 I HA 0.664 4.865 4.170 0.053 0.000 0.287 587 I C 0.532 176.684 176.117 0.057 0.000 1.042 587 I CA -0.285 61.138 61.300 0.206 0.000 1.067 587 I CB 1.507 39.693 38.000 0.309 0.000 1.233 587 I HN 1.151 nan 8.210 nan 0.000 0.431 588 G N 4.526 113.393 108.800 0.112 0.000 2.525 588 G HA2 -0.089 3.903 3.960 0.053 0.000 0.248 588 G HA3 -0.089 3.903 3.960 0.053 0.000 0.248 588 G C 0.183 175.114 174.900 0.053 0.000 1.238 588 G CA -0.180 44.898 45.100 -0.036 0.000 0.926 588 G HN 1.122 nan 8.290 nan 0.000 0.574 589 G N 1.257 110.017 108.800 -0.067 0.000 4.519 589 G HA2 0.728 4.720 3.960 0.053 0.000 0.336 589 G HA3 0.728 4.720 3.960 0.053 0.000 0.336 589 G C -1.707 173.147 174.900 -0.077 0.000 1.491 589 G CA 0.130 45.210 45.100 -0.033 0.000 1.008 589 G HN 0.645 nan 8.290 nan 0.000 0.515 595 A N 2.005 124.808 122.820 -0.029 0.000 2.520 595 A HA 0.525 4.877 4.320 0.053 0.000 0.235 595 A C -1.068 176.501 177.584 -0.025 0.000 1.065 595 A CA 0.171 52.192 52.037 -0.027 0.000 0.764 595 A CB -0.227 18.754 19.000 -0.032 0.000 1.002 595 A HN 0.386 nan 8.150 nan 0.000 0.502 596 P HA 0.070 nan 4.420 nan 0.000 0.235 596 P C -0.262 177.032 177.300 -0.011 0.000 1.725 596 P CA -0.138 62.955 63.100 -0.013 0.000 0.894 596 P CB -0.872 30.824 31.700 -0.006 0.000 1.704 597 T N 1.432 115.974 114.554 -0.021 0.000 2.867 597 T HA -0.058 4.323 4.350 0.053 0.000 0.290 597 T C 0.285 174.986 174.700 0.002 0.000 1.025 597 T CA 0.882 62.970 62.100 -0.019 0.000 1.146 597 T CB 0.079 68.924 68.868 -0.039 0.000 1.024 597 T HN 0.214 nan 8.240 nan 0.000 0.519 598 D N 2.068 122.481 120.400 0.022 0.000 2.429 598 D HA 0.165 4.837 4.640 0.053 0.000 0.255 598 D C -0.726 175.630 176.300 0.094 0.000 1.257 598 D CA -0.427 53.604 54.000 0.052 0.000 0.890 598 D CB 0.517 41.348 40.800 0.051 0.000 1.267 598 D HN 0.305 nan 8.370 nan 0.000 0.521 599 S N 2.626 118.397 115.700 0.120 0.000 2.422 599 S HA 0.273 4.775 4.470 0.053 0.000 0.283 599 S C 0.443 175.191 174.600 0.247 0.000 1.163 599 S CA -0.564 57.771 58.200 0.225 0.000 1.054 599 S CB 0.676 64.025 63.200 0.249 0.000 0.967 599 S HN 0.184 nan 8.310 nan 0.000 0.499 600 R N 3.369 124.015 120.500 0.243 0.000 2.870 600 R HA 0.270 4.642 4.340 0.053 0.000 0.254 600 R C -0.087 176.283 176.300 0.117 0.000 1.392 600 R CA -0.102 56.104 56.100 0.177 0.000 1.322 600 R CB -0.636 29.749 30.300 0.141 0.000 1.205 600 R HN 0.520 nan 8.270 nan 0.000 0.597 601 V N -1.767 118.244 119.914 0.162 0.000 3.160 601 V HA 0.702 4.853 4.120 0.053 0.000 0.310 601 V C -0.255 175.904 176.094 0.109 0.000 1.181 601 V CA -0.783 61.571 62.300 0.089 0.000 1.047 601 V CB 2.634 34.506 31.823 0.083 0.000 1.068 601 V HN 0.310 nan 8.190 nan 0.000 0.441 602 T N 1.428 116.005 114.554 0.037 0.000 2.879 602 T HA 0.735 5.117 4.350 0.053 0.000 0.290 602 T C -0.897 173.823 174.700 0.033 0.000 0.993 602 T CA -0.357 61.707 62.100 -0.060 0.000 0.975 602 T CB 1.461 70.296 68.868 -0.055 0.000 0.981 602 T HN 0.833 nan 8.240 nan 0.000 0.439 603 V N 3.671 123.608 119.914 0.038 0.000 2.656 603 V HA 0.805 4.956 4.120 0.053 0.000 0.307 603 V C 0.084 176.336 176.094 0.263 0.000 1.051 603 V CA -0.877 61.555 62.300 0.220 0.000 0.893 603 V CB 2.127 34.208 31.823 0.429 0.000 0.999 603 V HN 1.082 nan 8.190 nan 0.000 0.426 604 T N 0.034 114.744 114.554 0.260 0.000 2.906 604 T HA 0.565 4.946 4.350 0.053 0.000 0.295 604 T C -0.251 174.614 174.700 0.276 0.000 1.075 604 T CA -0.825 61.450 62.100 0.291 0.000 1.005 604 T CB 1.282 70.262 68.868 0.187 0.000 1.136 604 T HN 0.731 nan 8.240 nan 0.000 0.498 605 N N 0.376 119.238 118.700 0.270 0.000 2.641 605 N HA -0.123 4.649 4.740 0.053 0.000 0.267 605 N C -0.746 174.947 175.510 0.306 0.000 1.087 605 N CA 0.063 53.312 53.050 0.333 0.000 0.731 605 N CB -1.167 37.566 38.487 0.410 0.000 0.886 605 N HN 0.642 nan 8.380 nan 0.000 0.547 606 I N 1.229 121.850 120.570 0.085 0.000 2.325 606 I HA 0.257 4.459 4.170 0.053 0.000 0.291 606 I C 0.469 176.687 176.117 0.168 0.000 1.019 606 I CA -0.702 60.595 61.300 -0.005 0.000 1.302 606 I CB 0.944 38.738 38.000 -0.344 0.000 1.401 606 I HN -0.081 nan 8.210 nan 0.000 0.485 607 V N 7.268 127.279 119.914 0.161 0.000 2.555 607 V HA 0.435 4.587 4.120 0.053 0.000 0.302 607 V C -0.418 175.679 176.094 0.005 0.000 1.038 607 V CA -0.763 61.590 62.300 0.089 0.000 0.887 607 V CB 2.211 34.013 31.823 -0.035 0.000 0.991 607 V HN 0.441 nan 8.190 nan 0.000 0.434 608 L N 5.305 126.434 121.223 -0.156 0.000 2.349 608 L HA 0.691 5.063 4.340 0.053 0.000 0.278 608 L C -1.392 175.205 176.870 -0.456 0.000 0.996 608 L CA -0.161 54.498 54.840 -0.301 0.000 0.825 608 L CB 1.253 42.952 42.059 -0.601 0.000 1.243 608 L HN 0.561 nan 8.230 nan 0.000 0.412 609 Y N 2.660 122.850 120.300 -0.184 0.000 2.468 609 Y HA 0.380 4.962 4.550 0.053 0.000 0.342 609 Y C 0.773 176.525 175.900 -0.247 0.000 1.021 609 Y CA -0.726 57.235 58.100 -0.232 0.000 1.079 609 Y CB 1.387 39.745 38.460 -0.169 0.000 1.226 609 Y HN 0.706 nan 8.280 nan 0.000 0.460 610 N N 1.765 120.254 118.700 -0.352 0.000 2.389 610 N HA 0.118 4.890 4.740 0.053 0.000 0.237 610 N C -0.648 174.775 175.510 -0.144 0.000 1.148 610 N CA -0.382 52.302 53.050 -0.610 0.000 0.854 610 N CB -0.080 37.606 38.487 -1.335 0.000 1.115 610 N HN 0.772 nan 8.380 nan 0.000 0.492 611 R N -2.191 118.296 120.500 -0.022 0.000 2.733 611 R HA 0.388 4.759 4.340 0.053 0.000 0.272 611 R C -1.288 174.977 176.300 -0.058 0.000 1.029 611 R CA -1.082 54.999 56.100 -0.031 0.000 0.888 611 R CB 1.026 31.292 30.300 -0.057 0.000 1.251 611 R HN 0.027 nan 8.270 nan 0.000 0.464 612 R N 2.282 122.720 120.500 -0.103 0.000 2.220 612 R HA 0.283 4.654 4.340 0.053 0.000 0.340 612 R C -0.370 175.831 176.300 -0.164 0.000 1.076 612 R CA -0.457 55.560 56.100 -0.139 0.000 0.920 612 R CB 0.423 30.637 30.300 -0.142 0.000 1.062 612 R HN 0.560 nan 8.270 nan 0.000 0.469 613 L N 4.363 125.450 121.223 -0.227 0.000 2.514 613 L HA -0.057 4.315 4.340 0.053 0.000 0.280 613 L C 0.662 177.401 176.870 -0.219 0.000 1.223 613 L CA 0.073 54.742 54.840 -0.286 0.000 0.864 613 L CB 0.000 41.814 42.059 -0.409 0.000 1.118 613 L HN 0.814 nan 8.230 nan 0.000 0.494 614 N N 0.442 119.030 118.700 -0.186 0.000 2.327 614 N HA 0.028 4.799 4.740 0.053 0.000 0.257 614 N C 0.857 176.266 175.510 -0.168 0.000 1.281 614 N CA -0.058 52.905 53.050 -0.144 0.000 0.942 614 N CB 0.368 38.794 38.487 -0.102 0.000 1.199 614 N HN 0.554 nan 8.380 nan 0.000 0.532 615 S N -1.031 114.596 115.700 -0.121 0.000 2.383 615 S HA -0.234 4.268 4.470 0.053 0.000 0.229 615 S C 1.686 176.217 174.600 -0.115 0.000 1.030 615 S CA 1.331 59.456 58.200 -0.124 0.000 1.002 615 S CB -1.212 61.965 63.200 -0.038 0.000 0.829 615 S HN 0.755 nan 8.310 nan 0.000 0.467 616 S N 1.503 117.150 115.700 -0.088 0.000 2.436 616 S HA 0.068 4.570 4.470 0.053 0.000 0.228 616 S C 1.700 176.247 174.600 -0.089 0.000 1.014 616 S CA 0.514 58.672 58.200 -0.070 0.000 0.950 616 S CB -0.461 62.709 63.200 -0.050 0.000 0.784 616 S HN 0.637 nan 8.310 nan 0.000 0.504 617 E N 1.311 121.435 120.200 -0.126 0.000 2.072 617 E HA -0.023 4.359 4.350 0.053 0.000 0.191 617 E C 1.914 178.420 176.600 -0.158 0.000 0.985 617 E CA 1.313 57.620 56.400 -0.155 0.000 0.801 617 E CB -0.374 29.198 29.700 -0.212 0.000 0.750 617 E HN 0.544 nan 8.360 nan 0.000 0.452 618 I N 0.860 121.313 120.570 -0.195 0.000 2.208 618 I HA -0.302 3.900 4.170 0.053 0.000 0.245 618 I C 2.744 178.824 176.117 -0.062 0.000 1.097 618 I CA 1.117 62.303 61.300 -0.189 0.000 1.363 618 I CB -0.207 37.543 38.000 -0.417 0.000 1.051 618 I HN 0.041 nan 8.210 nan 0.000 0.413 619 R N 0.363 120.834 120.500 -0.047 0.000 2.092 619 R HA -0.140 4.231 4.340 0.053 0.000 0.231 619 R C 2.196 178.516 176.300 0.033 0.000 1.119 619 R CA 1.838 57.971 56.100 0.056 0.000 0.970 619 R CB -0.197 30.131 30.300 0.046 0.000 0.864 619 R HN 0.264 nan 8.270 nan 0.000 0.440 620 T N 1.547 116.083 114.554 -0.031 0.000 2.708 620 T HA -0.113 4.268 4.350 0.053 0.000 0.266 620 T C 1.801 176.459 174.700 -0.070 0.000 1.037 620 T CA 1.391 63.457 62.100 -0.056 0.000 1.146 620 T CB -0.129 68.701 68.868 -0.064 0.000 0.865 620 T HN 0.174 nan 8.240 nan 0.000 0.435 621 L N 0.052 121.247 121.223 -0.046 0.000 2.046 621 L HA -0.029 4.343 4.340 0.053 0.000 0.208 621 L C 2.319 179.046 176.870 -0.238 0.000 1.077 621 L CA 1.277 56.102 54.840 -0.025 0.000 0.747 621 L CB -0.615 41.522 42.059 0.129 0.000 0.896 621 L HN 0.209 nan 8.230 nan 0.000 0.432 622 F N 1.003 120.643 119.950 -0.516 0.000 2.095 622 F HA -0.231 4.328 4.527 0.053 0.000 0.298 622 F C 2.086 177.661 175.800 -0.374 0.000 1.104 622 F CA 1.601 59.124 58.000 -0.795 0.000 1.232 622 F CB -0.361 38.396 39.000 -0.405 0.000 0.987 622 F HN -0.114 nan 8.300 nan 0.000 0.475 623 L N 0.084 121.031 121.223 -0.459 0.000 2.291 623 L HA -0.090 4.282 4.340 0.053 0.000 0.214 623 L C 1.964 178.648 176.870 -0.311 0.000 1.120 623 L CA 1.199 55.745 54.840 -0.490 0.000 0.799 623 L CB -0.712 41.182 42.059 -0.275 0.000 0.925 623 L HN 0.374 nan 8.230 nan 0.000 0.446 624 S N -1.629 113.942 115.700 -0.215 0.000 2.575 624 S HA -0.001 4.501 4.470 0.053 0.000 0.237 624 S C 1.536 176.092 174.600 -0.072 0.000 0.975 624 S CA -0.463 57.663 58.200 -0.124 0.000 0.960 624 S CB 0.097 63.248 63.200 -0.082 0.000 0.822 624 S HN 0.517 nan 8.310 nan 0.000 0.472 625 Q N 1.210 120.953 119.800 -0.096 0.000 2.226 625 Q HA -0.135 4.236 4.340 0.053 0.000 0.204 625 Q C 0.266 176.301 176.000 0.059 0.000 0.975 625 Q CA 1.580 57.398 55.803 0.024 0.000 0.866 625 Q CB -0.472 28.316 28.738 0.083 0.000 0.915 625 Q HN 0.360 nan 8.270 nan 0.000 0.440 626 D N 0.141 120.547 120.400 0.010 0.000 2.340 626 D HA 0.101 4.772 4.640 0.053 0.000 0.220 626 D C 1.185 177.508 176.300 0.039 0.000 1.039 626 D CA 0.500 54.518 54.000 0.030 0.000 0.866 626 D CB 0.240 41.039 40.800 -0.001 0.000 0.913 626 D HN 0.462 nan 8.370 nan 0.000 0.523 627 M N -0.461 119.160 119.600 0.036 0.000 2.421 627 M HA 0.210 4.722 4.480 0.053 0.000 0.258 627 M C 1.817 178.172 176.300 0.092 0.000 1.122 627 M CA 0.313 55.637 55.300 0.040 0.000 1.078 627 M CB 0.477 33.072 32.600 -0.008 0.000 1.380 627 M HN -0.029 nan 8.290 nan 0.000 0.499 628 I N -1.716 118.934 120.570 0.133 0.000 3.728 628 I HA 0.345 4.547 4.170 0.053 0.000 0.307 628 I C 1.045 177.392 176.117 0.382 0.000 1.276 628 I CA -0.384 61.041 61.300 0.209 0.000 1.285 628 I CB -0.624 37.458 38.000 0.137 0.000 1.038 628 I HN 0.005 nan 8.210 nan 0.000 0.445 629 G N 1.476 110.458 108.800 0.305 0.000 2.544 629 G HA2 0.220 4.211 3.960 0.053 0.000 0.242 629 G HA3 0.220 4.211 3.960 0.053 0.000 0.242 629 G C 0.983 175.998 174.900 0.192 0.000 1.247 629 G CA 0.375 45.639 45.100 0.272 0.000 0.840 629 G HN 0.413 nan 8.290 nan 0.000 0.578 630 T N -2.474 112.140 114.554 0.100 0.000 3.148 630 T HA 0.433 4.814 4.350 0.053 0.000 0.253 630 T C 0.871 175.534 174.700 -0.063 0.000 1.134 630 T CA 1.550 63.664 62.100 0.023 0.000 1.051 630 T CB -1.137 67.724 68.868 -0.011 0.000 0.959 630 T HN 1.933 nan 8.240 nan 0.000 0.525 631 D N 0.000 120.325 120.400 -0.125 0.000 6.856 631 D HA 0.000 4.672 4.640 0.053 0.000 0.175 631 D CA 0.000 53.788 54.000 -0.354 0.000 0.868 631 D CB 0.000 40.658 40.800 -0.236 0.000 0.688 631 D HN 0.000 nan 8.370 nan 0.000 0.683