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 2weu_1_B DATA FIRST_RESID 1 DATA SEQUENCE MIRSVVIVGG GTAGWMTASY LKAAFDDRID VTLVESGXXX XXXVGEATFS DATA SEQUENCE TVRHFFDYLG LDEREWLPRC AGGYKLGIRF ENWSEPGEYF YHPFERLRVV DATA SEQUENCE DGFNMAEWWL AVGDRRTSFS EACYLTHRLC EAKRAPRMLD GSLFXXXXXX DATA SEQUENCE SLGRSTLAEQ RAQFPYAYHF DADEVARYLS EYAIARGVRH VVDDVQHVGQ DATA SEQUENCE DERGWISGVH TKQHGEISGD LFVDCTGFRG LLINQTLGGR FQSFSDVLPN DATA SEQUENCE NRAVALRVPR ENDEDMRPYT TATAMSAGWM WTIPLFKRDG NGYVYSDEFI DATA SEQUENCE SPEEAERELR STVAPGRDDL EANHIQMRIG RNERTWINNC VAVGLSAAFV DATA SEQUENCE EPLESTGIFF IQHAIEQLVK HFPGERWDPV LISAYNERMA HMVDGVKEFL DATA SEQUENCE VLHYKGAQRE DTPYWKAAKT RAMPDGLARK LELSASHLLD EQTIYPYYHG DATA SEQUENCE FETYSWITMN LGLGIVPERP RPALLHMDPA PALAEFERLR REGDELIAAL DATA SEQUENCE PSCYEYLASI Q 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.280 176.300 -0.033 0.000 1.140 1 M CA 0.000 55.270 55.300 -0.050 0.000 0.988 1 M CB 0.000 32.567 32.600 -0.055 0.000 1.302 2 I N -1.070 119.472 120.570 -0.046 0.000 2.945 2 I HA 0.489 4.659 4.170 0.001 0.000 0.292 2 I C 0.652 176.791 176.117 0.037 0.000 1.093 2 I CA -0.226 61.071 61.300 -0.004 0.000 1.336 2 I CB 0.942 38.899 38.000 -0.071 0.000 1.435 2 I HN 0.940 nan 8.210 nan 0.000 0.593 3 R N 1.476 122.006 120.500 0.050 0.000 2.310 3 R HA 0.237 4.578 4.340 0.001 0.000 0.199 3 R C -0.142 176.189 176.300 0.052 0.000 0.891 3 R CA 0.643 56.767 56.100 0.040 0.000 1.060 3 R CB 0.440 30.756 30.300 0.026 0.000 1.188 3 R HN 0.932 nan 8.270 nan 0.000 0.607 4 S N -0.116 115.613 115.700 0.047 0.000 2.541 4 S HA 0.624 5.094 4.470 0.001 0.000 0.280 4 S C -0.810 173.773 174.600 -0.028 0.000 1.112 4 S CA -0.791 57.414 58.200 0.009 0.000 0.925 4 S CB 2.550 65.734 63.200 -0.026 0.000 1.067 4 S HN -0.086 nan 8.310 nan 0.000 0.479 5 V N 2.211 122.100 119.914 -0.041 0.000 2.604 5 V HA 0.616 4.736 4.120 0.001 0.000 0.305 5 V C -0.727 175.255 176.094 -0.187 0.000 1.043 5 V CA -0.725 61.511 62.300 -0.107 0.000 0.888 5 V CB 1.849 33.687 31.823 0.025 0.000 0.995 5 V HN 0.856 nan 8.190 nan 0.000 0.429 6 V N 5.871 125.583 119.914 -0.337 0.000 2.378 6 V HA 0.507 4.628 4.120 0.001 0.000 0.288 6 V C -0.264 175.741 176.094 -0.148 0.000 1.016 6 V CA -0.342 61.808 62.300 -0.250 0.000 0.840 6 V CB 1.579 33.215 31.823 -0.312 0.000 0.994 6 V HN 0.689 nan 8.190 nan 0.000 0.431 7 I N 5.208 125.704 120.570 -0.123 0.000 2.336 7 I HA 0.413 4.584 4.170 0.001 0.000 0.292 7 I C -0.387 175.663 176.117 -0.113 0.000 0.991 7 I CA -0.665 60.557 61.300 -0.131 0.000 1.227 7 I CB 1.822 39.696 38.000 -0.209 0.000 1.366 7 I HN 0.268 nan 8.210 nan 0.000 0.466 8 V N 5.779 125.650 119.914 -0.071 0.000 2.311 8 V HA 0.818 4.939 4.120 0.001 0.000 0.275 8 V C 0.401 176.443 176.094 -0.086 0.000 1.022 8 V CA -0.413 61.854 62.300 -0.055 0.000 0.830 8 V CB 0.557 32.375 31.823 -0.008 0.000 1.012 8 V HN 1.072 nan 8.190 nan 0.000 0.452 9 G N 3.439 112.177 108.800 -0.103 0.000 2.885 9 G HA2 0.342 4.302 3.960 0.001 0.000 0.685 9 G HA3 0.342 4.302 3.960 0.001 0.000 0.685 9 G C -0.062 174.724 174.900 -0.191 0.000 1.216 9 G CA -0.276 44.760 45.100 -0.105 0.000 0.790 9 G HN 1.060 nan 8.290 nan 0.000 0.631 10 G N 0.068 108.790 108.800 -0.131 0.000 3.434 10 G HA2 1.007 4.967 3.960 0.001 0.000 0.192 10 G HA3 1.007 4.967 3.960 0.001 0.000 0.192 10 G C 1.422 176.300 174.900 -0.037 0.000 1.704 10 G CA 1.230 46.206 45.100 -0.206 0.000 0.936 10 G HN 2.661 nan 8.290 nan 0.000 0.623 11 G N -1.431 107.493 108.800 0.206 0.000 2.641 11 G HA2 -0.192 3.768 3.960 0.001 0.000 0.254 11 G HA3 -0.192 3.768 3.960 0.001 0.000 0.254 11 G C 1.088 176.090 174.900 0.170 0.000 1.315 11 G CA 0.932 46.135 45.100 0.171 0.000 0.907 11 G HN 1.072 nan 8.290 nan 0.000 0.572 12 T N 1.037 115.639 114.554 0.081 0.000 2.684 12 T HA 0.044 4.395 4.350 0.001 0.000 0.267 12 T C 2.916 177.608 174.700 -0.014 0.000 1.036 12 T CA 3.244 65.366 62.100 0.037 0.000 1.148 12 T CB -0.707 68.170 68.868 0.015 0.000 0.863 12 T HN 1.551 nan 8.240 nan 0.000 0.436 13 A N 1.424 124.219 122.820 -0.042 0.000 1.877 13 A HA 0.091 4.411 4.320 0.001 0.000 0.216 13 A C 2.640 180.160 177.584 -0.107 0.000 1.186 13 A CA 1.955 53.944 52.037 -0.079 0.000 0.620 13 A CB -1.404 17.551 19.000 -0.076 0.000 0.822 13 A HN 0.520 nan 8.150 nan 0.000 0.443 14 G N -1.889 106.816 108.800 -0.157 0.000 2.404 14 G HA2 -0.203 3.757 3.960 0.001 0.000 0.215 14 G HA3 -0.203 3.757 3.960 0.001 0.000 0.215 14 G C 1.424 176.106 174.900 -0.364 0.000 1.174 14 G CA 0.860 45.763 45.100 -0.328 0.000 0.780 14 G HN 0.665 nan 8.290 nan 0.000 0.537 15 W N 0.199 121.475 121.300 -0.040 0.000 2.576 15 W HA 0.281 4.942 4.660 0.001 0.000 0.270 15 W C 2.843 179.368 176.519 0.010 0.000 1.255 15 W CA -0.110 57.218 57.345 -0.029 0.000 1.314 15 W CB -0.034 29.396 29.460 -0.049 0.000 1.101 15 W HN 0.076 nan 8.180 nan 0.000 0.595 16 M N -0.358 119.335 119.600 0.155 0.000 2.117 16 M HA -0.193 4.287 4.480 0.001 0.000 0.262 16 M C 1.923 178.336 176.300 0.189 0.000 1.065 16 M CA 1.862 57.240 55.300 0.130 0.000 1.114 16 M CB -0.900 31.565 32.600 -0.224 0.000 1.361 16 M HN -0.140 nan 8.290 nan 0.000 0.408 17 T N 0.685 115.270 114.554 0.052 0.000 2.674 17 T HA -0.091 4.259 4.350 0.001 0.000 0.265 17 T C 1.890 176.637 174.700 0.079 0.000 1.039 17 T CA 1.594 63.715 62.100 0.035 0.000 1.150 17 T CB -0.355 68.480 68.868 -0.055 0.000 0.864 17 T HN 0.494 nan 8.240 nan 0.000 0.427 18 A N 1.959 124.806 122.820 0.045 0.000 1.902 18 A HA -0.114 4.207 4.320 0.001 0.000 0.217 18 A C 2.603 180.290 177.584 0.172 0.000 1.181 18 A CA 2.233 54.311 52.037 0.069 0.000 0.623 18 A CB -0.930 18.084 19.000 0.023 0.000 0.818 18 A HN 0.608 nan 8.150 nan 0.000 0.443 19 S N -1.755 114.102 115.700 0.263 0.000 2.368 19 S HA -0.213 4.257 4.470 0.001 0.000 0.224 19 S C 1.972 176.681 174.600 0.182 0.000 1.029 19 S CA 1.435 59.813 58.200 0.297 0.000 0.988 19 S CB -0.831 62.506 63.200 0.229 0.000 0.838 19 S HN 0.572 nan 8.310 nan 0.000 0.462 20 Y N 2.186 122.495 120.300 0.015 0.000 2.200 20 Y HA 0.110 4.660 4.550 0.001 0.000 0.290 20 Y C 2.123 177.916 175.900 -0.179 0.000 1.137 20 Y CA 1.159 59.188 58.100 -0.117 0.000 1.163 20 Y CB -0.334 38.084 38.460 -0.070 0.000 0.988 20 Y HN 0.185 nan 8.280 nan 0.000 0.518 21 L N -0.255 120.944 121.223 -0.041 0.000 2.046 21 L HA -0.252 4.089 4.340 0.001 0.000 0.208 21 L C 2.440 179.175 176.870 -0.225 0.000 1.077 21 L CA 1.347 56.051 54.840 -0.226 0.000 0.747 21 L CB -0.467 41.561 42.059 -0.053 0.000 0.896 21 L HN 0.078 nan 8.230 nan 0.000 0.432 22 K N -0.029 120.329 120.400 -0.070 0.000 2.103 22 K HA -0.030 4.291 4.320 0.001 0.000 0.204 22 K C 2.177 178.733 176.600 -0.074 0.000 1.052 22 K CA 1.263 57.526 56.287 -0.041 0.000 0.945 22 K CB -0.317 32.182 32.500 -0.002 0.000 0.722 22 K HN 0.252 nan 8.250 nan 0.000 0.443 23 A N 1.418 124.196 122.820 -0.070 0.000 1.908 23 A HA -0.120 4.200 4.320 0.001 0.000 0.218 23 A C 2.368 179.863 177.584 -0.147 0.000 1.181 23 A CA 2.130 54.120 52.037 -0.078 0.000 0.627 23 A CB -0.482 18.489 19.000 -0.047 0.000 0.818 23 A HN 0.300 nan 8.150 nan 0.000 0.445 24 A N -1.714 120.924 122.820 -0.303 0.000 1.872 24 A HA 0.227 4.548 4.320 0.001 0.000 0.214 24 A C 1.566 179.065 177.584 -0.142 0.000 1.187 24 A CA 1.477 53.294 52.037 -0.367 0.000 0.614 24 A CB -0.343 18.085 19.000 -0.953 0.000 0.826 24 A HN 0.471 nan 8.150 nan 0.000 0.442 25 F N -1.363 118.511 119.950 -0.127 0.000 2.728 25 F HA 0.230 4.758 4.527 0.001 0.000 0.314 25 F C 0.936 176.674 175.800 -0.104 0.000 1.094 25 F CA -0.783 57.134 58.000 -0.138 0.000 1.217 25 F CB -0.435 38.441 39.000 -0.207 0.000 1.056 25 F HN 0.267 nan 8.300 nan 0.000 0.577 26 D N 1.598 122.035 120.400 0.062 0.000 3.584 26 D HA -0.328 4.312 4.640 0.001 0.000 0.153 26 D C 0.879 177.190 176.300 0.019 0.000 0.949 26 D CA 2.335 56.340 54.000 0.008 0.000 1.011 26 D CB -0.721 40.069 40.800 -0.016 0.000 0.476 26 D HN 0.312 nan 8.370 nan 0.000 0.460 27 D N -0.280 120.121 120.400 0.001 0.000 2.324 27 D HA 0.024 4.664 4.640 0.001 0.000 0.235 27 D C 1.286 177.584 176.300 -0.003 0.000 1.095 27 D CA 0.327 54.325 54.000 -0.003 0.000 0.871 27 D CB -0.453 40.339 40.800 -0.014 0.000 0.906 27 D HN 0.376 nan 8.370 nan 0.000 0.522 28 R N -0.527 119.973 120.500 0.000 0.000 2.388 28 R HA 0.350 4.691 4.340 0.001 0.000 0.247 28 R C -0.360 175.911 176.300 -0.048 0.000 0.931 28 R CA -0.240 55.837 56.100 -0.038 0.000 1.082 28 R CB 0.265 30.517 30.300 -0.079 0.000 1.135 28 R HN 0.135 nan 8.270 nan 0.000 0.525 29 I N -0.044 120.537 120.570 0.017 0.000 2.752 29 I HA 0.207 4.378 4.170 0.001 0.000 0.295 29 I C -1.675 174.470 176.117 0.047 0.000 1.219 29 I CA -0.945 60.383 61.300 0.046 0.000 1.030 29 I CB 2.201 40.284 38.000 0.139 0.000 1.259 29 I HN -0.151 nan 8.210 nan 0.000 0.423 30 D N 6.029 126.454 120.400 0.042 0.000 2.193 30 D HA 0.599 5.239 4.640 0.001 0.000 0.244 30 D C -0.957 175.358 176.300 0.025 0.000 1.064 30 D CA 0.068 54.084 54.000 0.027 0.000 0.845 30 D CB 2.131 42.940 40.800 0.014 0.000 1.148 30 D HN 0.177 nan 8.370 nan 0.000 0.464 31 V N 2.005 121.929 119.914 0.018 0.000 2.577 31 V HA 0.451 4.572 4.120 0.001 0.000 0.303 31 V C -0.032 176.058 176.094 -0.007 0.000 1.042 31 V CA -0.618 61.684 62.300 0.002 0.000 0.872 31 V CB 2.212 34.044 31.823 0.016 0.000 0.998 31 V HN 0.491 nan 8.190 nan 0.000 0.423 32 T N 5.774 120.305 114.554 -0.039 0.000 2.807 32 T HA 0.644 4.994 4.350 0.001 0.000 0.279 32 T C -0.721 173.931 174.700 -0.081 0.000 0.993 32 T CA -0.301 61.778 62.100 -0.036 0.000 0.970 32 T CB 1.596 70.442 68.868 -0.038 0.000 0.950 32 T HN 0.528 nan 8.240 nan 0.000 0.441 33 L N 4.175 125.350 121.223 -0.080 0.000 2.319 33 L HA 0.687 5.028 4.340 0.001 0.000 0.281 33 L C -1.132 175.709 176.870 -0.049 0.000 1.005 33 L CA -0.730 54.003 54.840 -0.178 0.000 0.828 33 L CB 0.904 42.653 42.059 -0.518 0.000 1.227 33 L HN 0.404 nan 8.230 nan 0.000 0.415 34 V N 5.003 124.875 119.914 -0.070 0.000 2.350 34 V HA 0.458 4.579 4.120 0.001 0.000 0.276 34 V C -0.244 175.836 176.094 -0.023 0.000 1.028 34 V CA -0.448 61.827 62.300 -0.043 0.000 0.860 34 V CB 1.204 33.002 31.823 -0.042 0.000 0.990 34 V HN 0.856 nan 8.190 nan 0.000 0.453 35 E N 2.828 123.045 120.200 0.028 0.000 2.367 35 E HA 0.633 4.984 4.350 0.001 0.000 0.273 35 E C -0.885 175.748 176.600 0.055 0.000 0.903 35 E CA -0.718 55.714 56.400 0.053 0.000 0.764 35 E CB 2.074 31.849 29.700 0.126 0.000 1.252 35 E HN 0.396 nan 8.360 nan 0.000 0.446 36 S N 0.961 116.689 115.700 0.048 0.000 2.592 36 S HA 0.506 4.977 4.470 0.001 0.000 0.271 36 S C 0.447 175.084 174.600 0.062 0.000 1.326 36 S CA 0.120 58.347 58.200 0.045 0.000 1.024 36 S CB 0.566 63.786 63.200 0.034 0.000 0.921 36 S HN 0.633 nan 8.310 nan 0.000 0.527 45 G N 0.787 109.685 108.800 0.164 0.000 2.467 45 G HA2 0.613 4.573 3.960 0.001 0.000 0.257 45 G HA3 0.613 4.573 3.960 0.001 0.000 0.257 45 G C -0.809 174.103 174.900 0.020 0.000 1.227 45 G CA 0.190 45.371 45.100 0.134 0.000 0.835 45 G HN 0.871 nan 8.290 nan 0.000 0.556 46 E N -0.266 119.945 120.200 0.018 0.000 2.383 46 E HA 0.621 4.971 4.350 0.001 0.000 0.275 46 E C -0.458 176.061 176.600 -0.135 0.000 0.918 46 E CA -0.898 55.454 56.400 -0.081 0.000 0.764 46 E CB 2.135 31.838 29.700 0.005 0.000 1.252 46 E HN 0.715 nan 8.360 nan 0.000 0.449 47 A N 1.020 123.805 122.820 -0.059 0.000 2.288 47 A HA 0.833 5.154 4.320 0.001 0.000 0.328 47 A C -0.359 177.224 177.584 -0.002 0.000 1.123 47 A CA -0.162 51.901 52.037 0.043 0.000 0.861 47 A CB 1.476 20.622 19.000 0.244 0.000 1.272 47 A HN 0.628 nan 8.150 nan 0.000 0.490 48 T N -2.575 112.040 114.554 0.100 0.000 2.838 48 T HA 0.733 5.084 4.350 0.001 0.000 0.292 48 T C -0.699 174.269 174.700 0.446 0.000 1.113 48 T CA -0.607 61.616 62.100 0.204 0.000 1.008 48 T CB 0.606 69.628 68.868 0.257 0.000 1.259 48 T HN 0.277 nan 8.240 nan 0.000 0.520 49 F N 1.677 121.717 119.950 0.150 0.000 2.380 49 F HA 0.405 4.932 4.527 0.001 0.000 0.325 49 F C 2.367 178.090 175.800 -0.127 0.000 1.136 49 F CA -1.004 57.060 58.000 0.107 0.000 1.171 49 F CB 0.999 40.013 39.000 0.023 0.000 1.230 49 F HN 0.901 nan 8.300 nan 0.000 0.554 50 S N -0.563 114.919 115.700 -0.363 0.000 2.400 50 S HA -0.207 4.264 4.470 0.001 0.000 0.232 50 S C 1.671 176.263 174.600 -0.012 0.000 1.025 50 S CA 1.632 59.594 58.200 -0.396 0.000 0.993 50 S CB -1.245 61.652 63.200 -0.505 0.000 0.808 50 S HN 0.785 nan 8.310 nan 0.000 0.478 51 T N -0.975 113.694 114.554 0.192 0.000 3.113 51 T HA 0.147 4.498 4.350 0.001 0.000 0.263 51 T C 1.518 176.450 174.700 0.387 0.000 1.143 51 T CA 0.624 62.937 62.100 0.354 0.000 1.090 51 T CB -0.549 68.579 68.868 0.432 0.000 0.922 51 T HN 0.230 nan 8.240 nan 0.000 0.521 52 V N 3.027 123.146 119.914 0.342 0.000 2.828 52 V HA -0.207 3.913 4.120 0.001 0.000 0.260 52 V C 2.841 179.208 176.094 0.455 0.000 1.101 52 V CA 1.927 64.449 62.300 0.371 0.000 1.123 52 V CB -0.775 31.317 31.823 0.448 0.000 0.704 52 V HN 0.704 nan 8.190 nan 0.000 0.493 53 R N -1.066 119.627 120.500 0.322 0.000 2.127 53 R HA -0.207 4.134 4.340 0.001 0.000 0.238 53 R C 1.997 178.373 176.300 0.126 0.000 1.134 53 R CA 1.998 58.219 56.100 0.201 0.000 0.975 53 R CB -1.019 29.119 30.300 -0.270 0.000 0.865 53 R HN 0.604 nan 8.270 nan 0.000 0.447 54 H N -0.097 119.089 119.070 0.194 0.000 2.387 54 H HA -0.137 4.420 4.556 0.001 0.000 0.299 54 H C 1.874 177.358 175.328 0.260 0.000 1.090 54 H CA 1.786 57.954 56.048 0.199 0.000 1.332 54 H CB -0.316 29.558 29.762 0.187 0.000 1.386 54 H HN 0.289 nan 8.280 nan 0.000 0.516 55 F N 0.973 121.039 119.950 0.194 0.000 2.084 55 F HA -0.170 4.357 4.527 0.001 0.000 0.296 55 F C 2.110 177.924 175.800 0.023 0.000 1.111 55 F CA 1.031 59.063 58.000 0.053 0.000 1.224 55 F CB -0.556 38.321 39.000 -0.205 0.000 0.991 55 F HN -0.132 nan 8.300 nan 0.000 0.471 56 F N 1.189 121.273 119.950 0.223 0.000 2.171 56 F HA -0.189 4.338 4.527 0.001 0.000 0.300 56 F C 2.312 178.114 175.800 0.004 0.000 1.090 56 F CA 1.710 59.734 58.000 0.041 0.000 1.293 56 F CB -0.935 38.160 39.000 0.158 0.000 1.013 56 F HN 0.008 nan 8.300 nan 0.000 0.486 57 D N -1.504 119.035 120.400 0.231 0.000 2.178 57 D HA -0.203 4.437 4.640 0.001 0.000 0.202 57 D C 2.026 178.373 176.300 0.079 0.000 0.974 57 D CA 0.940 55.018 54.000 0.130 0.000 0.841 57 D CB -0.610 40.238 40.800 0.081 0.000 0.953 57 D HN 0.318 nan 8.370 nan 0.000 0.478 58 Y N 0.676 120.952 120.300 -0.041 0.000 2.181 58 Y HA -0.175 4.375 4.550 0.001 0.000 0.288 58 Y C 1.914 177.692 175.900 -0.205 0.000 1.146 58 Y CA 0.955 58.989 58.100 -0.111 0.000 1.164 58 Y CB 0.012 38.421 38.460 -0.085 0.000 0.982 58 Y HN -0.119 nan 8.280 nan 0.000 0.515 59 L N -0.155 121.012 121.223 -0.094 0.000 2.291 59 L HA 0.106 4.447 4.340 0.001 0.000 0.214 59 L C 1.841 178.711 176.870 0.001 0.000 1.120 59 L CA 1.578 56.320 54.840 -0.163 0.000 0.799 59 L CB -0.986 40.734 42.059 -0.565 0.000 0.925 59 L HN 0.434 nan 8.230 nan 0.000 0.446 60 G N -0.780 108.028 108.800 0.013 0.000 2.140 60 G HA2 -0.220 3.741 3.960 0.001 0.000 0.211 60 G HA3 -0.220 3.741 3.960 0.001 0.000 0.211 60 G C 0.079 175.055 174.900 0.127 0.000 1.013 60 G CA -0.030 45.109 45.100 0.065 0.000 0.705 60 G HN 0.223 nan 8.290 nan 0.000 0.508 61 L N 0.028 121.346 121.223 0.159 0.000 2.322 61 L HA 0.677 5.017 4.340 0.001 0.000 0.279 61 L C 0.029 177.060 176.870 0.267 0.000 1.036 61 L CA -0.884 54.105 54.840 0.248 0.000 0.807 61 L CB 1.630 43.862 42.059 0.288 0.000 1.226 61 L HN 0.187 nan 8.230 nan 0.000 0.433 62 D N -0.089 120.454 120.400 0.238 0.000 2.185 62 D HA 0.115 4.755 4.640 0.001 0.000 0.247 62 D C 0.942 177.248 176.300 0.010 0.000 1.027 62 D CA -0.480 53.608 54.000 0.146 0.000 0.861 62 D CB 1.496 42.346 40.800 0.082 0.000 1.202 62 D HN 0.656 nan 8.370 nan 0.000 0.453 63 E N 2.716 122.824 120.200 -0.154 0.000 2.204 63 E HA -0.239 4.111 4.350 0.001 0.000 0.195 63 E C 1.226 177.414 176.600 -0.687 0.000 0.990 63 E CA 0.783 56.726 56.400 -0.761 0.000 0.821 63 E CB 0.031 29.494 29.700 -0.394 0.000 0.750 63 E HN 0.408 nan 8.360 nan 0.000 0.477 64 R N 0.805 121.127 120.500 -0.296 0.000 2.193 64 R HA -0.086 4.255 4.340 0.001 0.000 0.229 64 R C 1.951 178.111 176.300 -0.233 0.000 1.110 64 R CA 1.538 57.498 56.100 -0.234 0.000 0.988 64 R CB -0.113 30.124 30.300 -0.105 0.000 0.871 64 R HN 0.425 nan 8.270 nan 0.000 0.458 65 E N -0.075 120.012 120.200 -0.189 0.000 2.046 65 E HA -0.145 4.205 4.350 0.001 0.000 0.190 65 E C 1.795 178.301 176.600 -0.156 0.000 0.982 65 E CA 1.287 57.650 56.400 -0.062 0.000 0.800 65 E CB -0.041 29.745 29.700 0.144 0.000 0.756 65 E HN 0.569 nan 8.360 nan 0.000 0.449 66 W N -0.052 120.995 121.300 -0.421 0.000 2.866 66 W HA 0.264 4.924 4.660 0.001 0.000 0.258 66 W C 1.554 177.767 176.519 -0.510 0.000 1.183 66 W CA -0.369 56.547 57.345 -0.716 0.000 1.451 66 W CB -0.558 28.142 29.460 -1.267 0.000 0.959 66 W HN 0.005 nan 8.180 nan 0.000 0.622 67 L N 3.186 123.737 121.223 -1.119 0.000 2.012 67 L HA -0.044 4.296 4.340 0.001 0.000 0.210 67 L C -0.548 176.055 176.870 -0.444 0.000 1.073 67 L CA 2.370 56.623 54.840 -0.978 0.000 0.748 67 L CB -1.893 39.462 42.059 -1.173 0.000 0.891 67 L HN -0.284 nan 8.230 nan 0.000 0.431 68 P HA -0.198 nan 4.420 nan 0.000 0.215 68 P C 1.510 178.700 177.300 -0.182 0.000 1.153 68 P CA 1.485 64.385 63.100 -0.334 0.000 0.853 68 P CB -0.186 31.309 31.700 -0.342 0.000 0.788 69 R N -0.271 120.146 120.500 -0.137 0.000 2.127 69 R HA -0.112 4.229 4.340 0.001 0.000 0.238 69 R C 0.588 176.885 176.300 -0.005 0.000 1.134 69 R CA 1.640 57.711 56.100 -0.047 0.000 0.975 69 R CB -0.744 29.546 30.300 -0.016 0.000 0.865 69 R HN 0.157 nan 8.270 nan 0.000 0.447 70 C N 0.823 120.120 119.300 -0.006 0.000 2.525 70 C HA 0.502 4.962 4.460 0.001 0.000 0.313 70 C C 0.781 175.846 174.990 0.124 0.000 1.311 70 C CA -0.116 58.945 59.018 0.072 0.000 1.725 70 C CB -0.748 27.055 27.740 0.105 0.000 1.926 70 C HN 0.634 nan 8.230 nan 0.000 0.595 71 A N 0.242 123.109 122.820 0.079 0.000 2.832 71 A HA -0.056 4.264 4.320 0.001 0.000 0.280 71 A C 0.804 178.487 177.584 0.165 0.000 1.464 71 A CA 0.741 52.864 52.037 0.144 0.000 0.804 71 A CB -1.825 17.279 19.000 0.174 0.000 1.020 71 A HN 0.893 nan 8.150 nan 0.000 0.563 72 G N -1.328 107.505 108.800 0.055 0.000 2.539 72 G HA2 0.660 4.621 3.960 0.001 0.000 0.258 72 G HA3 0.660 4.621 3.960 0.001 0.000 0.258 72 G C 0.378 175.289 174.900 0.018 0.000 1.202 72 G CA 0.336 45.475 45.100 0.065 0.000 0.851 72 G HN 1.667 nan 8.290 nan 0.000 0.556 73 G N -1.244 107.603 108.800 0.078 0.000 2.733 73 G HA2 0.585 4.546 3.960 0.001 0.000 0.288 73 G HA3 0.585 4.546 3.960 0.001 0.000 0.288 73 G C -1.669 173.183 174.900 -0.079 0.000 1.373 73 G CA -0.868 44.259 45.100 0.044 0.000 0.895 73 G HN 0.503 nan 8.290 nan 0.000 0.479 74 Y N -0.146 120.199 120.300 0.075 0.000 2.387 74 Y HA 0.562 5.113 4.550 0.001 0.000 0.330 74 Y C 0.603 176.423 175.900 -0.133 0.000 1.133 74 Y CA -0.561 57.480 58.100 -0.099 0.000 1.152 74 Y CB 2.211 40.529 38.460 -0.237 0.000 1.215 74 Y HN 0.317 nan 8.280 nan 0.000 0.466 75 K N 3.669 124.067 120.400 -0.005 0.000 2.450 75 K HA 0.392 4.712 4.320 0.001 0.000 0.257 75 K C -0.566 176.232 176.600 0.330 0.000 0.953 75 K CA -0.323 55.975 56.287 0.019 0.000 0.844 75 K CB 0.757 33.138 32.500 -0.198 0.000 1.103 75 K HN 0.843 nan 8.250 nan 0.000 0.429 76 L N 2.596 124.023 121.223 0.340 0.000 2.585 76 L HA 0.321 4.661 4.340 0.001 0.000 0.226 76 L C 0.930 177.953 176.870 0.255 0.000 1.113 76 L CA 0.261 55.305 54.840 0.340 0.000 0.876 76 L CB 0.517 42.661 42.059 0.142 0.000 1.072 76 L HN 0.965 nan 8.230 nan 0.000 0.468 77 G N 0.062 108.962 108.800 0.165 0.000 2.351 77 G HA2 0.223 4.183 3.960 0.001 0.000 0.279 77 G HA3 0.223 4.183 3.960 0.001 0.000 0.279 77 G C -1.661 173.265 174.900 0.044 0.000 1.297 77 G CA -0.798 44.191 45.100 -0.185 0.000 0.886 77 G HN -0.111 nan 8.290 nan 0.000 0.493 78 I N 0.792 121.350 120.570 -0.019 0.000 2.406 78 I HA 0.469 4.640 4.170 0.001 0.000 0.290 78 I C 0.453 176.467 176.117 -0.171 0.000 0.999 78 I CA -0.701 60.555 61.300 -0.073 0.000 1.124 78 I CB 2.027 39.874 38.000 -0.255 0.000 1.289 78 I HN 0.449 nan 8.210 nan 0.000 0.441 79 R N 5.897 126.234 120.500 -0.271 0.000 2.242 79 R HA 0.345 4.686 4.340 0.001 0.000 0.334 79 R C -1.453 174.467 176.300 -0.634 0.000 1.071 79 R CA -0.288 55.425 56.100 -0.644 0.000 0.922 79 R CB 0.368 30.249 30.300 -0.698 0.000 1.023 79 R HN 0.363 nan 8.270 nan 0.000 0.458 80 F N 4.289 123.844 119.950 -0.658 0.000 2.371 80 F HA 0.197 4.725 4.527 0.001 0.000 0.363 80 F C 0.194 175.839 175.800 -0.257 0.000 1.122 80 F CA -0.247 57.408 58.000 -0.574 0.000 1.129 80 F CB 1.187 39.445 39.000 -1.237 0.000 1.173 80 F HN 0.470 nan 8.300 nan 0.000 0.489 81 E N 2.221 122.565 120.200 0.240 0.000 2.238 81 E HA 0.451 4.801 4.350 0.001 0.000 0.267 81 E C -0.396 176.372 176.600 0.281 0.000 0.887 81 E CA -1.022 55.523 56.400 0.243 0.000 0.769 81 E CB 1.395 31.142 29.700 0.079 0.000 1.187 81 E HN 0.489 nan 8.360 nan 0.000 0.416 82 N N 0.463 119.281 118.700 0.196 0.000 2.925 82 N HA -0.164 4.577 4.740 0.001 0.000 0.244 82 N C -0.463 174.988 175.510 -0.099 0.000 1.000 82 N CA 1.165 54.228 53.050 0.023 0.000 0.895 82 N CB -1.390 37.055 38.487 -0.069 0.000 1.119 82 N HN 0.742 nan 8.380 nan 0.000 0.569 83 W N 0.724 121.975 121.300 -0.082 0.000 2.518 83 W HA 0.162 4.823 4.660 0.001 0.000 0.273 83 W C 1.989 178.363 176.519 -0.242 0.000 1.247 83 W CA 1.207 58.433 57.345 -0.198 0.000 1.288 83 W CB 0.070 29.485 29.460 -0.075 0.000 1.107 83 W HN 0.044 nan 8.180 nan 0.000 0.586 84 S N -1.687 114.067 115.700 0.090 0.000 3.385 84 S HA 0.089 4.560 4.470 0.001 0.000 0.176 84 S C -0.051 174.545 174.600 -0.005 0.000 0.851 84 S CA -0.551 57.659 58.200 0.017 0.000 1.039 84 S CB -0.302 62.929 63.200 0.051 0.000 1.241 84 S HN -0.262 nan 8.310 nan 0.000 0.859 85 E N 3.217 123.434 120.200 0.028 0.000 2.376 85 E HA 0.210 4.561 4.350 0.001 0.000 0.266 85 E C -2.582 174.031 176.600 0.021 0.000 1.009 85 E CA -1.758 54.653 56.400 0.019 0.000 0.902 85 E CB 0.071 29.788 29.700 0.028 0.000 0.972 85 E HN 0.118 nan 8.360 nan 0.000 0.439 86 P HA 0.001 nan 4.420 nan 0.000 0.263 86 P C 0.722 178.042 177.300 0.032 0.000 1.195 86 P CA 0.724 63.824 63.100 0.001 0.000 0.762 86 P CB 0.427 32.123 31.700 -0.007 0.000 0.799 87 G N 1.600 110.429 108.800 0.050 0.000 2.184 87 G HA2 -0.207 3.753 3.960 0.001 0.000 0.264 87 G HA3 -0.207 3.753 3.960 0.001 0.000 0.264 87 G C 0.145 175.142 174.900 0.162 0.000 0.975 87 G CA -0.147 45.009 45.100 0.093 0.000 0.642 87 G HN 0.520 nan 8.290 nan 0.000 0.536 88 E N -0.280 120.000 120.200 0.134 0.000 2.283 88 E HA 0.677 5.027 4.350 0.001 0.000 0.267 88 E C 0.043 176.774 176.600 0.218 0.000 1.045 88 E CA -0.280 56.186 56.400 0.111 0.000 0.884 88 E CB 1.242 30.978 29.700 0.060 0.000 1.106 88 E HN 0.737 nan 8.360 nan 0.000 0.408 89 Y N -0.993 119.373 120.300 0.110 0.000 2.670 89 Y HA 0.716 5.266 4.550 0.001 0.000 0.334 89 Y C -1.023 174.963 175.900 0.144 0.000 1.185 89 Y CA -1.594 56.527 58.100 0.036 0.000 1.053 89 Y CB 1.064 39.438 38.460 -0.144 0.000 1.298 89 Y HN 0.455 nan 8.280 nan 0.000 0.459 90 F N -1.365 118.633 119.950 0.081 0.000 2.711 90 F HA 0.787 5.315 4.527 0.001 0.000 0.313 90 F C -2.390 173.367 175.800 -0.072 0.000 1.141 90 F CA -2.051 55.989 58.000 0.066 0.000 0.941 90 F CB 1.211 40.280 39.000 0.116 0.000 1.349 90 F HN 0.462 nan 8.300 nan 0.000 0.464 91 Y N 0.350 120.861 120.300 0.353 0.000 2.377 91 Y HA 0.368 4.918 4.550 0.001 0.000 0.339 91 Y C -0.333 175.778 175.900 0.352 0.000 1.011 91 Y CA -0.713 57.475 58.100 0.147 0.000 1.093 91 Y CB 1.294 39.744 38.460 -0.016 0.000 1.201 91 Y HN 0.770 nan 8.280 nan 0.000 0.455 92 H N 5.529 124.765 119.070 0.277 0.000 2.690 92 H HA 0.322 4.878 4.556 0.001 0.000 0.289 92 H C -2.704 172.596 175.328 -0.045 0.000 1.089 92 H CA -2.375 53.780 56.048 0.178 0.000 1.299 92 H CB 0.975 30.880 29.762 0.239 0.000 1.405 92 H HN 0.411 nan 8.280 nan 0.000 0.463 93 P HA 0.125 nan 4.420 nan 0.000 0.285 93 P C -0.756 176.320 177.300 -0.373 0.000 1.285 93 P CA -0.826 62.081 63.100 -0.321 0.000 0.854 93 P CB 1.419 32.861 31.700 -0.430 0.000 1.180 94 F N 0.462 120.378 119.950 -0.057 0.000 2.659 94 F HA 0.331 4.858 4.527 0.001 0.000 0.360 94 F C 1.090 176.851 175.800 -0.066 0.000 1.218 94 F CA 0.481 58.475 58.000 -0.010 0.000 1.317 94 F CB -0.438 38.554 39.000 -0.013 0.000 1.697 94 F HN 0.266 nan 8.300 nan 0.000 0.637 95 E N 1.041 121.195 120.200 -0.077 0.000 2.343 95 E HA 0.327 4.677 4.350 0.001 0.000 0.286 95 E C -0.688 175.555 176.600 -0.594 0.000 0.915 95 E CA -0.801 55.477 56.400 -0.205 0.000 0.784 95 E CB 1.412 31.046 29.700 -0.110 0.000 1.251 95 E HN 0.309 nan 8.360 nan 0.000 0.407 96 R N 2.674 122.888 120.500 -0.477 0.000 2.560 96 R HA 0.375 4.715 4.340 0.001 0.000 0.270 96 R C 0.020 176.252 176.300 -0.114 0.000 1.074 96 R CA -0.524 55.237 56.100 -0.565 0.000 1.140 96 R CB 0.641 30.804 30.300 -0.230 0.000 1.073 96 R HN 0.445 nan 8.270 nan 0.000 0.527 97 L N 2.648 123.874 121.223 0.005 0.000 2.416 97 L HA 0.182 4.522 4.340 0.001 0.000 0.272 97 L C 0.851 177.736 176.870 0.024 0.000 1.161 97 L CA 0.098 54.976 54.840 0.064 0.000 0.845 97 L CB 0.377 42.519 42.059 0.139 0.000 1.119 97 L HN 0.374 nan 8.230 nan 0.000 0.464 98 R N 1.666 122.156 120.500 -0.016 0.000 2.679 98 R HA 0.465 4.806 4.340 0.001 0.000 0.269 98 R C -0.939 175.381 176.300 0.033 0.000 1.076 98 R CA -0.536 55.556 56.100 -0.014 0.000 1.160 98 R CB 0.931 31.193 30.300 -0.064 0.000 1.054 98 R HN 0.316 nan 8.270 nan 0.000 0.507 99 V N 2.242 122.185 119.914 0.049 0.000 2.487 99 V HA 0.341 4.462 4.120 0.001 0.000 0.298 99 V C -0.623 175.541 176.094 0.116 0.000 1.028 99 V CA -0.738 61.630 62.300 0.113 0.000 0.860 99 V CB 1.963 33.837 31.823 0.085 0.000 0.991 99 V HN 0.407 nan 8.190 nan 0.000 0.427 100 V N 3.388 123.444 119.914 0.238 0.000 2.483 100 V HA 0.463 4.584 4.120 0.001 0.000 0.297 100 V C -0.192 176.160 176.094 0.430 0.000 1.027 100 V CA -0.580 61.834 62.300 0.189 0.000 0.855 100 V CB 1.514 33.288 31.823 -0.082 0.000 0.995 100 V HN 0.982 nan 8.190 nan 0.000 0.424 101 D N 4.274 124.836 120.400 0.270 0.000 2.708 101 D HA -0.183 4.457 4.640 0.001 0.000 0.236 101 D C 1.321 177.834 176.300 0.355 0.000 1.146 101 D CA 1.954 56.144 54.000 0.316 0.000 0.662 101 D CB -1.161 39.874 40.800 0.391 0.000 1.059 101 D HN 1.429 nan 8.370 nan 0.000 0.428 102 G N -1.793 107.117 108.800 0.184 0.000 2.199 102 G HA2 -0.318 3.642 3.960 0.001 0.000 0.254 102 G HA3 -0.318 3.642 3.960 0.001 0.000 0.254 102 G C 0.156 174.903 174.900 -0.255 0.000 0.982 102 G CA 0.198 45.265 45.100 -0.056 0.000 0.632 102 G HN 0.413 nan 8.290 nan 0.000 0.529 103 F N 1.654 121.673 119.950 0.114 0.000 2.495 103 F HA 0.558 5.086 4.527 0.001 0.000 0.327 103 F C 0.483 176.369 175.800 0.144 0.000 1.103 103 F CA -0.901 57.098 58.000 -0.001 0.000 0.949 103 F CB 1.406 40.186 39.000 -0.368 0.000 1.142 103 F HN 0.262 nan 8.300 nan 0.000 0.457 104 N N 1.874 120.721 118.700 0.245 0.000 2.354 104 N HA 0.059 4.799 4.740 0.001 0.000 0.246 104 N C 0.757 176.467 175.510 0.334 0.000 1.285 104 N CA -0.355 52.840 53.050 0.241 0.000 0.925 104 N CB 0.526 39.118 38.487 0.174 0.000 1.174 104 N HN 0.475 nan 8.380 nan 0.000 0.478 105 M N -0.358 119.391 119.600 0.248 0.000 2.279 105 M HA -0.033 4.447 4.480 0.001 0.000 0.264 105 M C 1.847 178.410 176.300 0.438 0.000 1.062 105 M CA 1.257 56.700 55.300 0.239 0.000 1.099 105 M CB -1.829 30.723 32.600 -0.080 0.000 1.394 105 M HN 0.835 nan 8.290 nan 0.000 0.426 106 A N 0.208 123.268 122.820 0.401 0.000 1.898 106 A HA -0.136 4.184 4.320 0.001 0.000 0.216 106 A C 2.122 179.945 177.584 0.399 0.000 1.181 106 A CA 1.324 53.653 52.037 0.486 0.000 0.620 106 A CB -0.442 18.732 19.000 0.290 0.000 0.819 106 A HN 0.417 nan 8.150 nan 0.000 0.442 107 E N -0.731 119.623 120.200 0.256 0.000 2.058 107 E HA -0.251 4.099 4.350 0.001 0.000 0.194 107 E C 1.834 178.494 176.600 0.101 0.000 0.997 107 E CA 1.397 57.865 56.400 0.113 0.000 0.801 107 E CB -0.436 29.281 29.700 0.027 0.000 0.746 107 E HN 0.885 nan 8.360 nan 0.000 0.450 108 W N -0.043 121.407 121.300 0.250 0.000 2.374 108 W HA -0.160 4.500 4.660 0.001 0.000 0.288 108 W C 2.249 178.997 176.519 0.381 0.000 1.218 108 W CA 0.266 57.764 57.345 0.256 0.000 1.245 108 W CB -0.578 29.029 29.460 0.245 0.000 1.126 108 W HN 0.225 nan 8.180 nan 0.000 0.545 109 W N 0.596 122.224 121.300 0.548 0.000 2.358 109 W HA -0.181 4.480 4.660 0.001 0.000 0.303 109 W C 1.945 178.552 176.519 0.147 0.000 1.208 109 W CA 1.807 59.355 57.345 0.338 0.000 1.274 109 W CB -0.653 29.036 29.460 0.382 0.000 1.138 109 W HN -0.230 nan 8.180 nan 0.000 0.515 110 L N 0.432 121.801 121.223 0.243 0.000 2.079 110 L HA -0.231 4.109 4.340 0.001 0.000 0.210 110 L C 2.611 179.412 176.870 -0.115 0.000 1.081 110 L CA 1.576 56.398 54.840 -0.029 0.000 0.752 110 L CB -1.204 40.892 42.059 0.062 0.000 0.896 110 L HN 0.139 nan 8.230 nan 0.000 0.433 111 A N -0.637 122.175 122.820 -0.013 0.000 1.911 111 A HA 0.026 4.347 4.320 0.001 0.000 0.212 111 A C 1.760 179.334 177.584 -0.015 0.000 1.189 111 A CA 1.374 53.401 52.037 -0.016 0.000 0.639 111 A CB -0.029 18.983 19.000 0.019 0.000 0.839 111 A HN 0.294 nan 8.150 nan 0.000 0.449 112 V N -3.950 115.980 119.914 0.027 0.000 3.329 112 V HA 0.535 4.655 4.120 0.001 0.000 0.317 112 V C 0.712 176.684 176.094 -0.203 0.000 1.495 112 V CA 0.094 62.379 62.300 -0.024 0.000 1.105 112 V CB -0.324 31.569 31.823 0.117 0.000 0.985 112 V HN 0.425 nan 8.190 nan 0.000 0.475 113 G N -0.031 108.530 108.800 -0.397 0.000 2.528 113 G HA2 0.410 4.370 3.960 0.001 0.000 0.289 113 G HA3 0.410 4.370 3.960 0.001 0.000 0.289 113 G C -0.940 173.614 174.900 -0.577 0.000 1.192 113 G CA -0.184 44.523 45.100 -0.656 0.000 0.921 113 G HN 0.235 nan 8.290 nan 0.000 0.512 114 D N 0.099 120.274 120.400 -0.375 0.000 2.416 114 D HA 0.089 4.729 4.640 0.001 0.000 0.240 114 D C 1.408 177.605 176.300 -0.172 0.000 1.250 114 D CA -0.372 53.501 54.000 -0.212 0.000 0.967 114 D CB 0.402 41.145 40.800 -0.095 0.000 1.059 114 D HN 0.180 nan 8.370 nan 0.000 0.512 115 R N 2.774 123.073 120.500 -0.335 0.000 2.339 115 R HA 0.025 4.365 4.340 0.001 0.000 0.199 115 R C 1.416 177.698 176.300 -0.030 0.000 1.018 115 R CA 0.244 56.160 56.100 -0.307 0.000 1.036 115 R CB 0.137 30.188 30.300 -0.415 0.000 0.899 115 R HN 0.459 nan 8.270 nan 0.000 0.473 116 R N -0.066 120.424 120.500 -0.017 0.000 2.153 116 R HA -0.018 4.323 4.340 0.001 0.000 0.218 116 R C 1.235 177.570 176.300 0.057 0.000 1.072 116 R CA 1.161 57.267 56.100 0.011 0.000 0.990 116 R CB 0.016 30.308 30.300 -0.014 0.000 0.889 116 R HN 0.169 nan 8.270 nan 0.000 0.452 117 T N -1.765 112.849 114.554 0.099 0.000 2.922 117 T HA 0.327 4.677 4.350 0.001 0.000 0.281 117 T C 0.302 175.096 174.700 0.157 0.000 1.005 117 T CA -0.850 61.300 62.100 0.084 0.000 0.982 117 T CB 1.645 70.528 68.868 0.024 0.000 1.158 117 T HN 0.088 nan 8.240 nan 0.000 0.566 118 S N 0.548 116.273 115.700 0.042 0.000 2.560 118 S HA 0.130 4.600 4.470 0.001 0.000 0.284 118 S C 0.920 175.433 174.600 -0.145 0.000 1.327 118 S CA -0.708 57.501 58.200 0.014 0.000 1.055 118 S CB -0.263 62.971 63.200 0.057 0.000 0.868 118 S HN 0.768 nan 8.310 nan 0.000 0.506 119 F N 3.622 123.190 119.950 -0.636 0.000 2.111 119 F HA -0.228 4.299 4.527 0.001 0.000 0.300 119 F C 2.426 177.837 175.800 -0.647 0.000 1.088 119 F CA 2.334 59.535 58.000 -1.331 0.000 1.243 119 F CB -1.064 37.119 39.000 -1.362 0.000 0.996 119 F HN 0.768 nan 8.300 nan 0.000 0.483 120 S N -0.742 114.646 115.700 -0.521 0.000 2.423 120 S HA -0.234 4.237 4.470 0.001 0.000 0.231 120 S C 2.011 176.453 174.600 -0.264 0.000 1.014 120 S CA 1.116 59.151 58.200 -0.274 0.000 0.965 120 S CB -0.846 62.635 63.200 0.470 0.000 0.785 120 S HN 0.751 nan 8.310 nan 0.000 0.495 121 E N 1.367 121.246 120.200 -0.535 0.000 2.106 121 E HA -0.039 4.312 4.350 0.001 0.000 0.192 121 E C 2.080 178.474 176.600 -0.343 0.000 0.984 121 E CA 0.933 56.864 56.400 -0.781 0.000 0.806 121 E CB -0.381 28.838 29.700 -0.801 0.000 0.750 121 E HN 0.710 nan 8.360 nan 0.000 0.458 122 A N -0.217 122.416 122.820 -0.313 0.000 1.930 122 A HA -0.079 4.241 4.320 0.001 0.000 0.215 122 A C 2.161 179.700 177.584 -0.075 0.000 1.176 122 A CA 0.947 52.909 52.037 -0.126 0.000 0.632 122 A CB -0.226 18.741 19.000 -0.056 0.000 0.819 122 A HN 0.465 nan 8.150 nan 0.000 0.445 123 C N -2.180 116.847 119.300 -0.455 0.000 2.912 123 C HA 0.399 4.859 4.460 0.001 0.000 0.274 123 C C -0.320 174.280 174.990 -0.650 0.000 1.248 123 C CA -0.400 58.240 59.018 -0.631 0.000 1.694 123 C CB -1.284 25.723 27.740 -1.222 0.000 2.024 123 C HN 0.496 nan 8.230 nan 0.000 0.605 124 Y N -0.663 119.530 120.300 -0.177 0.000 2.421 124 Y HA 0.378 4.928 4.550 0.001 0.000 0.339 124 Y C 0.711 176.584 175.900 -0.045 0.000 0.996 124 Y CA -1.115 56.928 58.100 -0.095 0.000 1.046 124 Y CB 0.648 39.066 38.460 -0.069 0.000 1.226 124 Y HN -0.122 nan 8.280 nan 0.000 0.445 125 L N 0.572 121.880 121.223 0.142 0.000 2.079 125 L HA -0.210 4.131 4.340 0.001 0.000 0.210 125 L C 1.847 178.721 176.870 0.008 0.000 1.081 125 L CA 1.878 56.754 54.840 0.059 0.000 0.752 125 L CB -0.514 41.582 42.059 0.062 0.000 0.896 125 L HN 0.770 nan 8.230 nan 0.000 0.433 126 T N -1.937 112.627 114.554 0.017 0.000 2.737 126 T HA -0.313 4.037 4.350 0.001 0.000 0.269 126 T C 1.745 176.309 174.700 -0.227 0.000 1.040 126 T CA 1.873 63.908 62.100 -0.107 0.000 1.142 126 T CB -0.404 68.401 68.868 -0.105 0.000 0.861 126 T HN 0.488 nan 8.240 nan 0.000 0.456 127 H N 0.933 119.884 119.070 -0.198 0.000 2.289 127 H HA -0.048 4.508 4.556 0.001 0.000 0.296 127 H C 2.478 177.648 175.328 -0.264 0.000 1.091 127 H CA 1.745 57.632 56.048 -0.267 0.000 1.274 127 H CB 0.087 29.872 29.762 0.039 0.000 1.364 127 H HN 0.199 nan 8.280 nan 0.000 0.490 128 R N -0.676 119.872 120.500 0.080 0.000 2.153 128 R HA -0.033 4.308 4.340 0.001 0.000 0.218 128 R C 2.061 178.316 176.300 -0.075 0.000 1.072 128 R CA 0.676 56.809 56.100 0.055 0.000 0.990 128 R CB 0.096 30.438 30.300 0.071 0.000 0.889 128 R HN 0.241 nan 8.270 nan 0.000 0.452 129 L N 0.138 121.266 121.223 -0.159 0.000 2.046 129 L HA -0.205 4.135 4.340 0.001 0.000 0.208 129 L C 2.311 179.080 176.870 -0.168 0.000 1.077 129 L CA 1.555 56.273 54.840 -0.203 0.000 0.747 129 L CB -0.776 41.096 42.059 -0.312 0.000 0.896 129 L HN 0.216 nan 8.230 nan 0.000 0.432 130 C N -0.849 118.273 119.300 -0.296 0.000 2.440 130 C HA -0.090 4.371 4.460 0.001 0.000 0.278 130 C C 2.651 177.600 174.990 -0.068 0.000 1.295 130 C CA 0.210 59.066 59.018 -0.270 0.000 1.738 130 C CB -0.631 26.470 27.740 -1.065 0.000 1.987 130 C HN 0.515 nan 8.230 nan 0.000 0.492 131 E N 1.039 121.166 120.200 -0.122 0.000 2.110 131 E HA -0.111 4.239 4.350 0.001 0.000 0.193 131 E C 2.170 178.814 176.600 0.073 0.000 0.988 131 E CA 1.447 57.879 56.400 0.053 0.000 0.804 131 E CB -0.400 29.366 29.700 0.111 0.000 0.745 131 E HN 0.675 nan 8.360 nan 0.000 0.458 132 A N 0.591 123.429 122.820 0.031 0.000 2.251 132 A HA 0.007 4.328 4.320 0.001 0.000 0.209 132 A C 0.529 178.135 177.584 0.036 0.000 1.187 132 A CA 0.057 52.111 52.037 0.029 0.000 0.823 132 A CB -0.212 18.788 19.000 -0.001 0.000 0.846 132 A HN 0.171 nan 8.150 nan 0.000 0.486 133 K N -0.106 120.332 120.400 0.064 0.000 3.096 133 K HA -0.146 4.174 4.320 0.001 0.000 0.266 133 K C -0.603 176.022 176.600 0.041 0.000 1.043 133 K CA 0.414 56.748 56.287 0.077 0.000 0.758 133 K CB -0.951 31.591 32.500 0.071 0.000 1.260 133 K HN 0.421 nan 8.250 nan 0.000 0.481 134 R N 0.172 120.666 120.500 -0.010 0.000 2.490 134 R HA 0.427 4.767 4.340 0.001 0.000 0.278 134 R C 0.615 176.871 176.300 -0.073 0.000 1.069 134 R CA 0.101 56.167 56.100 -0.057 0.000 1.080 134 R CB 0.671 30.888 30.300 -0.138 0.000 1.030 134 R HN 0.338 nan 8.270 nan 0.000 0.491 135 A N 3.812 126.582 122.820 -0.082 0.000 2.322 135 A HA 0.353 4.674 4.320 0.001 0.000 0.269 135 A C -1.469 175.914 177.584 -0.334 0.000 1.094 135 A CA -1.183 50.748 52.037 -0.177 0.000 0.807 135 A CB 0.175 19.104 19.000 -0.118 0.000 1.047 135 A HN 0.493 nan 8.150 nan 0.000 0.487 136 P HA 0.044 nan 4.420 nan 0.000 0.245 136 P C 0.015 177.158 177.300 -0.261 0.000 1.212 136 P CA 0.706 63.627 63.100 -0.300 0.000 0.774 136 P CB 0.287 31.738 31.700 -0.414 0.000 0.999 137 R N -0.576 119.584 120.500 -0.567 0.000 2.750 137 R HA 0.508 4.848 4.340 0.001 0.000 0.281 137 R C 0.432 176.514 176.300 -0.364 0.000 0.972 137 R CA -1.089 54.701 56.100 -0.516 0.000 0.912 137 R CB 1.491 31.269 30.300 -0.869 0.000 1.187 137 R HN -0.080 nan 8.270 nan 0.000 0.464 138 M N 2.385 121.906 119.600 -0.131 0.000 2.198 138 M HA 0.082 4.563 4.480 0.001 0.000 0.315 138 M C 1.661 178.045 176.300 0.140 0.000 1.134 138 M CA 0.213 55.515 55.300 0.004 0.000 1.171 138 M CB 0.381 32.996 32.600 0.026 0.000 1.413 138 M HN 0.636 nan 8.290 nan 0.000 0.467 139 L N 1.072 122.404 121.223 0.182 0.000 2.129 139 L HA -0.260 4.081 4.340 0.001 0.000 0.212 139 L C 1.708 178.687 176.870 0.181 0.000 1.087 139 L CA 1.359 56.333 54.840 0.223 0.000 0.757 139 L CB -0.757 41.369 42.059 0.112 0.000 0.896 139 L HN 0.740 nan 8.230 nan 0.000 0.434 140 D N -0.616 119.860 120.400 0.126 0.000 2.363 140 D HA -0.019 4.622 4.640 0.001 0.000 0.226 140 D C 1.486 177.859 176.300 0.121 0.000 1.020 140 D CA 0.900 54.957 54.000 0.095 0.000 0.892 140 D CB 0.095 40.930 40.800 0.058 0.000 0.900 140 D HN 0.320 nan 8.370 nan 0.000 0.531 141 G N -0.058 108.859 108.800 0.196 0.000 2.194 141 G HA2 -0.263 3.698 3.960 0.001 0.000 0.236 141 G HA3 -0.263 3.698 3.960 0.001 0.000 0.236 141 G C 0.333 175.274 174.900 0.068 0.000 0.987 141 G CA 0.265 45.480 45.100 0.191 0.000 0.635 141 G HN 0.846 nan 8.290 nan 0.000 0.520 142 S N 0.518 116.241 115.700 0.037 0.000 2.548 142 S HA 0.669 5.140 4.470 0.001 0.000 0.277 142 S C 0.290 174.873 174.600 -0.027 0.000 1.315 142 S CA -0.478 57.729 58.200 0.011 0.000 1.050 142 S CB 2.237 65.446 63.200 0.015 0.000 0.918 142 S HN 1.211 nan 8.310 nan 0.000 0.497 143 L N 4.356 125.559 121.223 -0.033 0.000 2.397 143 L HA 0.450 4.791 4.340 0.001 0.000 0.271 143 L C 0.140 176.953 176.870 -0.094 0.000 1.148 143 L CA -0.511 54.280 54.840 -0.082 0.000 0.825 143 L CB -0.008 41.985 42.059 -0.109 0.000 1.117 143 L HN 0.775 nan 8.230 nan 0.000 0.456 152 L N 2.088 123.298 121.223 -0.021 0.000 2.591 152 L HA 0.357 4.698 4.340 0.001 0.000 0.228 152 L C 1.691 178.582 176.870 0.035 0.000 1.133 152 L CA 0.678 55.525 54.840 0.012 0.000 0.880 152 L CB -1.110 40.952 42.059 0.005 0.000 1.033 152 L HN 1.089 nan 8.230 nan 0.000 0.450 153 G N 1.142 109.948 108.800 0.010 0.000 2.611 153 G HA2 -0.378 3.582 3.960 0.001 0.000 0.301 153 G HA3 -0.378 3.582 3.960 0.001 0.000 0.301 153 G C 0.202 175.079 174.900 -0.039 0.000 1.233 153 G CA 0.062 45.147 45.100 -0.025 0.000 0.993 153 G HN 0.380 nan 8.290 nan 0.000 0.553 154 R N 1.440 121.870 120.500 -0.116 0.000 2.593 154 R HA 0.528 4.869 4.340 0.001 0.000 0.282 154 R C 0.308 176.692 176.300 0.140 0.000 1.300 154 R CA 0.532 56.505 56.100 -0.212 0.000 1.221 154 R CB 0.583 30.536 30.300 -0.579 0.000 1.157 154 R HN 0.781 nan 8.270 nan 0.000 0.555 155 S N -0.052 115.845 115.700 0.328 0.000 2.632 155 S HA 0.644 5.114 4.470 0.001 0.000 0.289 155 S C 0.030 174.856 174.600 0.377 0.000 1.115 155 S CA -0.810 57.586 58.200 0.327 0.000 0.889 155 S CB 2.133 65.522 63.200 0.314 0.000 1.116 155 S HN 0.367 nan 8.310 nan 0.000 0.486 156 T N -1.311 113.352 114.554 0.182 0.000 2.905 156 T HA 0.544 4.895 4.350 0.001 0.000 0.283 156 T C 1.204 175.751 174.700 -0.255 0.000 1.031 156 T CA -1.075 61.061 62.100 0.061 0.000 1.002 156 T CB 0.319 69.225 68.868 0.064 0.000 1.200 156 T HN 0.476 nan 8.240 nan 0.000 0.560 157 L N 0.547 121.662 121.223 -0.180 0.000 2.129 157 L HA -0.068 4.273 4.340 0.001 0.000 0.212 157 L C 3.094 179.807 176.870 -0.261 0.000 1.087 157 L CA 1.679 56.377 54.840 -0.237 0.000 0.757 157 L CB -0.878 41.232 42.059 0.085 0.000 0.896 157 L HN 0.937 nan 8.230 nan 0.000 0.434 158 A N -0.485 122.224 122.820 -0.185 0.000 2.125 158 A HA -0.166 4.155 4.320 0.001 0.000 0.219 158 A C 1.903 179.433 177.584 -0.089 0.000 1.156 158 A CA 1.365 53.317 52.037 -0.141 0.000 0.671 158 A CB -0.269 18.688 19.000 -0.071 0.000 0.794 158 A HN 0.348 nan 8.150 nan 0.000 0.459 159 E N -0.348 119.778 120.200 -0.124 0.000 2.479 159 E HA 0.059 4.410 4.350 0.001 0.000 0.193 159 E C 0.664 177.297 176.600 0.054 0.000 1.049 159 E CA -0.158 56.234 56.400 -0.014 0.000 0.870 159 E CB -0.026 29.710 29.700 0.060 0.000 0.944 159 E HN 0.718 nan 8.360 nan 0.000 0.492 160 Q N 1.138 120.927 119.800 -0.018 0.000 2.263 160 Q HA -0.048 4.293 4.340 0.001 0.000 0.289 160 Q C 0.292 176.371 176.000 0.132 0.000 1.061 160 Q CA 0.403 56.302 55.803 0.161 0.000 0.927 160 Q CB 0.469 29.302 28.738 0.159 0.000 1.154 160 Q HN 0.010 nan 8.270 nan 0.000 0.378 161 R N 2.609 123.197 120.500 0.147 0.000 2.096 161 R HA 0.363 4.703 4.340 0.001 0.000 0.130 161 R C -0.177 176.186 176.300 0.104 0.000 1.990 161 R CA 0.454 56.618 56.100 0.106 0.000 1.660 161 R CB -0.965 29.388 30.300 0.089 0.000 1.387 161 R HN 0.660 nan 8.270 nan 0.000 0.482 162 A N 2.062 124.938 122.820 0.092 0.000 2.483 162 A HA 0.088 4.408 4.320 0.001 0.000 0.238 162 A C 0.031 177.677 177.584 0.104 0.000 1.070 162 A CA -0.043 52.038 52.037 0.074 0.000 0.770 162 A CB 0.078 19.106 19.000 0.046 0.000 1.008 162 A HN 0.272 nan 8.150 nan 0.000 0.497 163 Q N 1.348 121.195 119.800 0.079 0.000 2.300 163 Q HA 0.320 4.661 4.340 0.001 0.000 0.262 163 Q C -0.826 175.206 176.000 0.053 0.000 1.109 163 Q CA 0.196 56.059 55.803 0.101 0.000 0.905 163 Q CB -0.253 28.528 28.738 0.072 0.000 1.280 163 Q HN 0.495 nan 8.270 nan 0.000 0.426 164 F N 7.414 127.327 119.950 -0.062 0.000 2.529 164 F HA 0.267 4.795 4.527 0.001 0.000 0.365 164 F C -1.536 174.153 175.800 -0.185 0.000 1.102 164 F CA -1.946 55.948 58.000 -0.177 0.000 1.271 164 F CB 1.055 39.901 39.000 -0.255 0.000 1.120 164 F HN 0.620 nan 8.300 nan 0.000 0.579 165 P HA 0.017 nan 4.420 nan 0.000 0.255 165 P C -1.503 175.743 177.300 -0.091 0.000 1.248 165 P CA 0.724 63.627 63.100 -0.328 0.000 0.807 165 P CB -0.059 31.420 31.700 -0.369 0.000 1.150 166 Y N -2.162 117.928 120.300 -0.349 0.000 2.625 166 Y HA 0.786 5.337 4.550 0.001 0.000 0.338 166 Y C -1.079 174.540 175.900 -0.469 0.000 1.123 166 Y CA -1.806 56.131 58.100 -0.271 0.000 1.046 166 Y CB 0.483 38.834 38.460 -0.182 0.000 1.299 166 Y HN -0.049 nan 8.280 nan 0.000 0.464 167 A N 0.824 123.452 122.820 -0.320 0.000 2.726 167 A HA 0.877 5.197 4.320 0.001 0.000 0.248 167 A C -2.095 175.330 177.584 -0.264 0.000 1.249 167 A CA -0.992 50.820 52.037 -0.376 0.000 0.846 167 A CB 0.796 19.597 19.000 -0.332 0.000 1.391 167 A HN 0.785 nan 8.150 nan 0.000 0.497 168 Y N -1.123 119.252 120.300 0.125 0.000 2.536 168 Y HA 0.578 5.128 4.550 0.001 0.000 0.347 168 Y C -0.283 175.464 175.900 -0.255 0.000 1.000 168 Y CA -0.362 57.752 58.100 0.024 0.000 1.051 168 Y CB 1.913 40.546 38.460 0.288 0.000 1.259 168 Y HN 0.691 nan 8.280 nan 0.000 0.468 169 H N 2.176 121.327 119.070 0.136 0.000 2.469 169 H HA 0.642 5.199 4.556 0.001 0.000 0.342 169 H C -1.119 174.243 175.328 0.057 0.000 1.115 169 H CA -0.872 55.161 56.048 -0.024 0.000 1.204 169 H CB 1.399 31.199 29.762 0.063 0.000 1.492 169 H HN 0.578 nan 8.280 nan 0.000 0.499 170 F N -1.187 118.950 119.950 0.313 0.000 2.741 170 F HA 0.267 4.794 4.527 0.001 0.000 0.313 170 F C -1.081 174.823 175.800 0.173 0.000 1.153 170 F CA -1.504 56.633 58.000 0.228 0.000 0.931 170 F CB 1.197 40.355 39.000 0.263 0.000 1.335 170 F HN 0.283 nan 8.300 nan 0.000 0.460 171 D N 1.523 122.199 120.400 0.461 0.000 2.344 171 D HA 0.320 4.960 4.640 0.001 0.000 0.253 171 D C 0.908 177.389 176.300 0.300 0.000 1.255 171 D CA 0.363 54.547 54.000 0.306 0.000 0.894 171 D CB 1.695 42.612 40.800 0.195 0.000 1.067 171 D HN 0.791 nan 8.370 nan 0.000 0.492 172 A N 4.356 127.378 122.820 0.336 0.000 2.015 172 A HA -0.154 4.166 4.320 0.001 0.000 0.219 172 A C 1.725 179.365 177.584 0.093 0.000 1.163 172 A CA 0.942 53.127 52.037 0.248 0.000 0.646 172 A CB -0.011 19.162 19.000 0.289 0.000 0.806 172 A HN 0.548 nan 8.150 nan 0.000 0.448 173 D N -0.145 120.316 120.400 0.103 0.000 2.117 173 D HA -0.125 4.516 4.640 0.001 0.000 0.197 173 D C 1.816 178.140 176.300 0.040 0.000 0.987 173 D CA 1.138 55.181 54.000 0.072 0.000 0.829 173 D CB -0.176 40.672 40.800 0.079 0.000 0.961 173 D HN 0.316 nan 8.370 nan 0.000 0.460 174 E N 0.540 120.767 120.200 0.045 0.000 2.072 174 E HA -0.082 4.269 4.350 0.001 0.000 0.191 174 E C 2.433 179.027 176.600 -0.010 0.000 0.985 174 E CA 0.169 56.587 56.400 0.030 0.000 0.801 174 E CB -0.291 29.441 29.700 0.052 0.000 0.750 174 E HN 0.112 nan 8.360 nan 0.000 0.452 175 V N 1.432 121.283 119.914 -0.105 0.000 2.287 175 V HA -0.285 3.836 4.120 0.001 0.000 0.248 175 V C 2.437 178.474 176.094 -0.094 0.000 1.053 175 V CA 1.918 64.080 62.300 -0.231 0.000 1.027 175 V CB -0.943 30.501 31.823 -0.631 0.000 0.646 175 V HN 0.263 nan 8.190 nan 0.000 0.447 176 A N -0.119 122.669 122.820 -0.054 0.000 1.902 176 A HA -0.273 4.048 4.320 0.001 0.000 0.217 176 A C 2.406 179.898 177.584 -0.154 0.000 1.181 176 A CA 2.146 54.179 52.037 -0.006 0.000 0.623 176 A CB -0.585 18.473 19.000 0.098 0.000 0.818 176 A HN 0.497 nan 8.150 nan 0.000 0.443 177 R N -2.080 118.345 120.500 -0.126 0.000 2.081 177 R HA -0.194 4.146 4.340 0.001 0.000 0.235 177 R C 2.072 178.257 176.300 -0.191 0.000 1.131 177 R CA 1.915 57.894 56.100 -0.202 0.000 0.960 177 R CB -0.511 29.741 30.300 -0.080 0.000 0.856 177 R HN 0.623 nan 8.270 nan 0.000 0.436 178 Y N 1.031 121.225 120.300 -0.178 0.000 2.145 178 Y HA -0.204 4.346 4.550 0.001 0.000 0.286 178 Y C 1.831 177.647 175.900 -0.141 0.000 1.145 178 Y CA 1.856 59.879 58.100 -0.129 0.000 1.148 178 Y CB -0.176 38.230 38.460 -0.090 0.000 0.981 178 Y HN 0.042 nan 8.280 nan 0.000 0.507 179 L N -0.290 120.901 121.223 -0.053 0.000 2.141 179 L HA -0.197 4.143 4.340 0.001 0.000 0.209 179 L C 2.756 179.515 176.870 -0.186 0.000 1.094 179 L CA 1.385 56.185 54.840 -0.067 0.000 0.763 179 L CB -0.913 41.183 42.059 0.062 0.000 0.908 179 L HN 0.362 nan 8.230 nan 0.000 0.437 180 S N -0.153 115.186 115.700 -0.602 0.000 2.382 180 S HA -0.230 4.241 4.470 0.001 0.000 0.228 180 S C 1.726 175.924 174.600 -0.671 0.000 1.027 180 S CA 1.356 58.786 58.200 -1.283 0.000 0.991 180 S CB -0.330 61.598 63.200 -2.119 0.000 0.823 180 S HN 0.494 nan 8.310 nan 0.000 0.469 181 E N 0.039 119.967 120.200 -0.454 0.000 2.051 181 E HA -0.149 4.201 4.350 0.001 0.000 0.192 181 E C 1.886 178.356 176.600 -0.217 0.000 0.991 181 E CA 1.502 57.718 56.400 -0.307 0.000 0.799 181 E CB -0.401 29.118 29.700 -0.301 0.000 0.748 181 E HN 0.773 nan 8.360 nan 0.000 0.449 182 Y N 1.203 121.294 120.300 -0.348 0.000 2.128 182 Y HA -0.287 4.264 4.550 0.001 0.000 0.284 182 Y C 2.265 178.086 175.900 -0.131 0.000 1.154 182 Y CA 1.749 59.704 58.100 -0.241 0.000 1.149 182 Y CB -0.271 38.048 38.460 -0.236 0.000 0.976 182 Y HN 0.013 nan 8.280 nan 0.000 0.505 183 A N 0.240 123.136 122.820 0.126 0.000 1.898 183 A HA -0.143 4.178 4.320 0.001 0.000 0.216 183 A C 2.232 179.840 177.584 0.041 0.000 1.181 183 A CA 1.904 54.037 52.037 0.160 0.000 0.620 183 A CB -1.086 18.157 19.000 0.406 0.000 0.819 183 A HN 0.582 nan 8.150 nan 0.000 0.442 184 I N -0.156 120.407 120.570 -0.012 0.000 2.315 184 I HA -0.234 3.937 4.170 0.001 0.000 0.248 184 I C 2.892 178.973 176.117 -0.059 0.000 1.117 184 I CA 0.911 62.206 61.300 -0.009 0.000 1.404 184 I CB -0.263 37.709 38.000 -0.046 0.000 1.071 184 I HN 0.336 nan 8.210 nan 0.000 0.419 185 A N 0.718 123.464 122.820 -0.123 0.000 1.978 185 A HA -0.178 4.142 4.320 0.001 0.000 0.220 185 A C 2.225 179.714 177.584 -0.158 0.000 1.170 185 A CA 1.502 53.451 52.037 -0.147 0.000 0.636 185 A CB -0.501 18.381 19.000 -0.198 0.000 0.810 185 A HN 0.369 nan 8.150 nan 0.000 0.448 186 R N -1.768 118.619 120.500 -0.188 0.000 2.388 186 R HA 0.282 4.623 4.340 0.001 0.000 0.247 186 R C 1.051 177.302 176.300 -0.082 0.000 0.931 186 R CA 0.555 56.552 56.100 -0.172 0.000 1.082 186 R CB 0.154 30.293 30.300 -0.268 0.000 1.135 186 R HN 0.651 nan 8.270 nan 0.000 0.525 187 G N 0.017 108.791 108.800 -0.044 0.000 2.184 187 G HA2 -0.221 3.740 3.960 0.001 0.000 0.206 187 G HA3 -0.221 3.740 3.960 0.001 0.000 0.206 187 G C 0.095 175.010 174.900 0.024 0.000 0.995 187 G CA -0.371 44.723 45.100 -0.010 0.000 0.651 187 G HN 0.099 nan 8.290 nan 0.000 0.511 188 V N 2.115 122.060 119.914 0.051 0.000 2.529 188 V HA 0.261 4.381 4.120 0.001 0.000 0.292 188 V C 1.302 177.465 176.094 0.115 0.000 1.028 188 V CA 0.044 62.399 62.300 0.092 0.000 1.074 188 V CB 1.203 33.127 31.823 0.168 0.000 0.958 188 V HN 0.452 nan 8.190 nan 0.000 0.481 189 R N 4.546 125.100 120.500 0.091 0.000 2.248 189 R HA 0.187 4.527 4.340 0.001 0.000 0.328 189 R C -0.129 176.270 176.300 0.166 0.000 1.067 189 R CA -0.380 55.781 56.100 0.101 0.000 0.924 189 R CB 0.189 30.520 30.300 0.051 0.000 1.013 189 R HN 0.909 nan 8.270 nan 0.000 0.454 190 H N 4.133 123.255 119.070 0.087 0.000 2.552 190 H HA 0.284 4.841 4.556 0.001 0.000 0.311 190 H C -1.136 174.203 175.328 0.018 0.000 1.071 190 H CA -0.812 55.309 56.048 0.121 0.000 1.307 190 H CB 1.159 31.054 29.762 0.222 0.000 1.416 190 H HN 0.253 nan 8.280 nan 0.000 0.464 191 V N 6.883 126.748 119.914 -0.082 0.000 2.378 191 V HA 0.111 4.232 4.120 0.001 0.000 0.288 191 V C -0.215 175.678 176.094 -0.335 0.000 1.016 191 V CA -0.797 61.297 62.300 -0.343 0.000 0.840 191 V CB 1.516 33.102 31.823 -0.394 0.000 0.994 191 V HN 0.521 nan 8.190 nan 0.000 0.431 192 V N 4.748 124.450 119.914 -0.352 0.000 2.348 192 V HA 0.597 4.718 4.120 0.001 0.000 0.270 192 V C -0.267 175.802 176.094 -0.041 0.000 1.037 192 V CA 0.166 62.367 62.300 -0.166 0.000 0.872 192 V CB 0.983 32.726 31.823 -0.135 0.000 1.002 192 V HN 0.955 nan 8.190 nan 0.000 0.464 193 D N 2.082 122.476 120.400 -0.011 0.000 2.755 193 D HA 0.250 4.890 4.640 0.001 0.000 0.277 193 D C -1.823 174.503 176.300 0.043 0.000 1.261 193 D CA -0.521 53.512 54.000 0.055 0.000 0.759 193 D CB 2.412 43.278 40.800 0.111 0.000 1.279 193 D HN 0.402 nan 8.370 nan 0.000 0.420 194 D N 0.534 120.969 120.400 0.059 0.000 2.193 194 D HA 0.315 4.956 4.640 0.001 0.000 0.244 194 D C -0.099 176.235 176.300 0.056 0.000 1.064 194 D CA -0.331 53.698 54.000 0.048 0.000 0.845 194 D CB 2.114 42.941 40.800 0.046 0.000 1.148 194 D HN -0.021 nan 8.370 nan 0.000 0.464 195 V N 3.595 123.535 119.914 0.044 0.000 2.455 195 V HA -0.023 4.098 4.120 0.001 0.000 0.273 195 V C 1.265 177.398 176.094 0.066 0.000 1.045 195 V CA -0.059 62.273 62.300 0.054 0.000 0.976 195 V CB 1.335 33.174 31.823 0.027 0.000 0.993 195 V HN 0.423 nan 8.190 nan 0.000 0.475 196 Q N 2.608 122.471 119.800 0.104 0.000 2.297 196 Q HA 0.156 4.496 4.340 0.001 0.000 0.203 196 Q C 0.654 176.750 176.000 0.159 0.000 0.931 196 Q CA 0.867 56.735 55.803 0.108 0.000 0.885 196 Q CB 0.505 29.304 28.738 0.101 0.000 0.991 196 Q HN 0.862 nan 8.270 nan 0.000 0.498 197 H N -0.955 118.157 119.070 0.070 0.000 3.046 197 H HA 0.394 4.951 4.556 0.001 0.000 0.363 197 H C -1.567 173.840 175.328 0.132 0.000 1.203 197 H CA -0.545 55.534 56.048 0.052 0.000 1.169 197 H CB 1.972 31.709 29.762 -0.042 0.000 1.851 197 H HN -0.210 nan 8.280 nan 0.000 0.546 198 V N 3.519 123.110 119.914 -0.539 0.000 2.357 198 V HA 0.357 4.478 4.120 0.001 0.000 0.284 198 V C 0.902 176.622 176.094 -0.623 0.000 1.018 198 V CA -0.387 61.663 62.300 -0.417 0.000 0.841 198 V CB 1.075 32.716 31.823 -0.302 0.000 0.991 198 V HN 0.821 nan 8.190 nan 0.000 0.437 199 G N 3.951 112.604 108.800 -0.245 0.000 2.444 199 G HA2 0.557 4.517 3.960 0.001 0.000 0.268 199 G HA3 0.557 4.517 3.960 0.001 0.000 0.268 199 G C -0.639 174.204 174.900 -0.096 0.000 1.203 199 G CA -0.237 44.838 45.100 -0.041 0.000 0.835 199 G HN 0.653 nan 8.290 nan 0.000 0.543 200 Q N -0.064 119.723 119.800 -0.022 0.000 2.413 200 Q HA 0.340 4.681 4.340 0.001 0.000 0.276 200 Q C -0.817 175.202 176.000 0.032 0.000 1.099 200 Q CA -0.969 54.827 55.803 -0.012 0.000 0.814 200 Q CB 2.390 31.118 28.738 -0.015 0.000 1.379 200 Q HN 0.761 nan 8.270 nan 0.000 0.436 201 D N -0.729 119.696 120.400 0.041 0.000 2.506 201 D HA -0.042 4.599 4.640 0.001 0.000 0.272 201 D C 0.677 176.986 176.300 0.016 0.000 1.214 201 D CA -0.392 53.624 54.000 0.026 0.000 1.067 201 D CB 0.397 41.200 40.800 0.006 0.000 1.117 201 D HN 0.688 nan 8.370 nan 0.000 0.578 202 E N -0.929 119.265 120.200 -0.011 0.000 2.338 202 E HA -0.161 4.189 4.350 0.001 0.000 0.197 202 E C 1.145 177.735 176.600 -0.018 0.000 1.007 202 E CA 0.476 56.868 56.400 -0.014 0.000 0.849 202 E CB -0.123 29.561 29.700 -0.026 0.000 0.774 202 E HN 0.229 nan 8.360 nan 0.000 0.506 203 R N 0.069 120.546 120.500 -0.039 0.000 2.317 203 R HA 0.109 4.449 4.340 0.001 0.000 0.208 203 R C 1.175 177.569 176.300 0.155 0.000 0.914 203 R CA 0.681 56.771 56.100 -0.017 0.000 1.060 203 R CB 0.651 30.809 30.300 -0.237 0.000 1.015 203 R HN 0.435 nan 8.270 nan 0.000 0.498 204 G N 0.714 109.598 108.800 0.139 0.000 2.159 204 G HA2 -0.225 3.735 3.960 0.001 0.000 0.256 204 G HA3 -0.225 3.735 3.960 0.001 0.000 0.256 204 G C -0.364 174.654 174.900 0.198 0.000 0.977 204 G CA 0.003 45.188 45.100 0.142 0.000 0.652 204 G HN 0.193 nan 8.290 nan 0.000 0.531 205 W N 0.348 121.584 121.300 -0.106 0.000 2.184 205 W HA 0.665 5.325 4.660 0.001 0.000 0.338 205 W C 1.172 177.600 176.519 -0.152 0.000 1.257 205 W CA -1.180 56.083 57.345 -0.137 0.000 1.243 205 W CB 0.245 29.601 29.460 -0.174 0.000 1.122 205 W HN 0.097 nan 8.180 nan 0.000 0.585 206 I N 2.857 123.399 120.570 -0.046 0.000 2.533 206 I HA -0.073 4.098 4.170 0.001 0.000 0.284 206 I C 1.287 177.299 176.117 -0.175 0.000 1.109 206 I CA 0.396 61.518 61.300 -0.297 0.000 1.412 206 I CB 0.588 38.141 38.000 -0.746 0.000 1.396 206 I HN 0.524 nan 8.210 nan 0.000 0.543 207 S N 3.559 119.174 115.700 -0.142 0.000 2.502 207 S HA 0.422 4.893 4.470 0.001 0.000 0.215 207 S C 0.599 175.222 174.600 0.038 0.000 1.009 207 S CA 0.108 58.322 58.200 0.023 0.000 0.908 207 S CB 0.750 63.978 63.200 0.046 0.000 0.801 207 S HN 0.917 nan 8.310 nan 0.000 0.505 208 G N 0.625 109.324 108.800 -0.170 0.000 2.340 208 G HA2 0.411 4.371 3.960 0.001 0.000 0.298 208 G HA3 0.411 4.371 3.960 0.001 0.000 0.298 208 G C -1.442 173.296 174.900 -0.271 0.000 1.498 208 G CA -0.280 44.758 45.100 -0.104 0.000 0.847 208 G HN 0.991 nan 8.290 nan 0.000 0.594 209 V N -1.437 118.379 119.914 -0.163 0.000 2.459 209 V HA 0.722 4.842 4.120 0.001 0.000 0.295 209 V C -0.411 175.580 176.094 -0.172 0.000 1.029 209 V CA -1.067 61.153 62.300 -0.133 0.000 0.874 209 V CB 1.414 33.225 31.823 -0.019 0.000 0.985 209 V HN 0.789 nan 8.190 nan 0.000 0.438 210 H N 3.909 123.000 119.070 0.036 0.000 2.594 210 H HA 0.486 5.042 4.556 0.001 0.000 0.304 210 H C 0.401 175.774 175.328 0.074 0.000 1.068 210 H CA 0.181 56.276 56.048 0.079 0.000 1.308 210 H CB 1.795 31.634 29.762 0.129 0.000 1.409 210 H HN 0.977 nan 8.280 nan 0.000 0.460 211 T N -0.536 114.111 114.554 0.155 0.000 2.943 211 T HA 0.178 4.528 4.350 0.001 0.000 0.284 211 T C 1.363 176.141 174.700 0.131 0.000 1.015 211 T CA -1.082 61.098 62.100 0.133 0.000 1.042 211 T CB 2.589 71.540 68.868 0.138 0.000 1.055 211 T HN 0.519 nan 8.240 nan 0.000 0.500 212 K N -0.029 120.437 120.400 0.110 0.000 2.063 212 K HA -0.127 4.193 4.320 0.001 0.000 0.208 212 K C 1.587 178.221 176.600 0.058 0.000 1.048 212 K CA 1.479 57.813 56.287 0.078 0.000 0.928 212 K CB 0.082 32.620 32.500 0.065 0.000 0.713 212 K HN 0.588 nan 8.250 nan 0.000 0.442 213 Q N -1.878 117.965 119.800 0.072 0.000 2.245 213 Q HA 0.050 4.391 4.340 0.001 0.000 0.250 213 Q C 0.395 176.274 176.000 -0.203 0.000 0.830 213 Q CA 0.516 56.280 55.803 -0.065 0.000 0.950 213 Q CB 0.850 29.513 28.738 -0.125 0.000 1.124 213 Q HN 0.434 nan 8.270 nan 0.000 0.502 214 H N -0.010 119.075 119.070 0.024 0.000 2.528 214 H HA 0.420 4.977 4.556 0.001 0.000 0.282 214 H C 0.938 176.283 175.328 0.029 0.000 1.097 214 H CA 0.416 56.477 56.048 0.021 0.000 1.121 214 H CB 0.748 30.518 29.762 0.014 0.000 1.590 214 H HN 0.350 nan 8.280 nan 0.000 0.553 215 G N 1.117 109.990 108.800 0.121 0.000 2.552 215 G HA2 -0.349 3.612 3.960 0.001 0.000 0.265 215 G HA3 -0.349 3.612 3.960 0.001 0.000 0.265 215 G C -0.051 174.905 174.900 0.093 0.000 1.234 215 G CA -0.053 45.113 45.100 0.110 0.000 0.944 215 G HN 0.482 nan 8.290 nan 0.000 0.568 216 E N 0.071 120.297 120.200 0.043 0.000 2.200 216 E HA 0.516 4.867 4.350 0.001 0.000 0.283 216 E C -0.034 176.540 176.600 -0.043 0.000 1.015 216 E CA -0.582 55.752 56.400 -0.111 0.000 0.819 216 E CB 0.307 29.893 29.700 -0.190 0.000 1.081 216 E HN 0.421 nan 8.360 nan 0.000 0.397 217 I N 3.641 124.186 120.570 -0.042 0.000 2.330 217 I HA 0.186 4.357 4.170 0.001 0.000 0.289 217 I C 0.093 176.260 176.117 0.083 0.000 1.001 217 I CA -0.378 60.935 61.300 0.022 0.000 1.193 217 I CB 1.661 39.678 38.000 0.028 0.000 1.345 217 I HN 0.347 nan 8.210 nan 0.000 0.461 218 S N 3.780 119.530 115.700 0.082 0.000 2.664 218 S HA 0.966 5.436 4.470 0.001 0.000 0.304 218 S C -0.248 174.371 174.600 0.033 0.000 1.099 218 S CA -0.349 57.947 58.200 0.161 0.000 1.003 218 S CB 1.926 65.195 63.200 0.116 0.000 1.092 218 S HN 0.864 nan 8.310 nan 0.000 0.525 219 G N 1.058 109.837 108.800 -0.034 0.000 2.495 219 G HA2 0.310 4.270 3.960 0.001 0.000 0.294 219 G HA3 0.310 4.270 3.960 0.001 0.000 0.294 219 G C -0.787 174.017 174.900 -0.160 0.000 1.397 219 G CA -0.489 44.486 45.100 -0.208 0.000 0.790 219 G HN 0.544 nan 8.290 nan 0.000 0.486 220 D N -1.153 119.203 120.400 -0.073 0.000 2.183 220 D HA 0.065 4.705 4.640 0.001 0.000 0.205 220 D C 0.498 176.928 176.300 0.216 0.000 0.962 220 D CA 0.968 55.064 54.000 0.159 0.000 0.849 220 D CB 0.573 41.492 40.800 0.198 0.000 0.978 220 D HN 0.143 nan 8.370 nan 0.000 0.488 221 L N 0.042 121.225 121.223 -0.067 0.000 2.386 221 L HA 0.419 4.760 4.340 0.001 0.000 0.271 221 L C -1.662 174.988 176.870 -0.367 0.000 0.993 221 L CA -0.653 54.168 54.840 -0.031 0.000 0.819 221 L CB 1.777 43.789 42.059 -0.079 0.000 1.294 221 L HN -0.311 nan 8.230 nan 0.000 0.414 222 F N 4.199 124.100 119.950 -0.081 0.000 2.458 222 F HA 0.654 5.181 4.527 0.001 0.000 0.336 222 F C -0.199 175.497 175.800 -0.173 0.000 1.114 222 F CA -0.798 57.137 58.000 -0.110 0.000 0.987 222 F CB 2.115 41.052 39.000 -0.104 0.000 1.130 222 F HN 0.100 nan 8.300 nan 0.000 0.458 223 V N 2.301 122.200 119.914 -0.025 0.000 2.357 223 V HA 0.205 4.326 4.120 0.001 0.000 0.284 223 V C -0.605 175.455 176.094 -0.057 0.000 1.018 223 V CA -0.791 61.455 62.300 -0.090 0.000 0.841 223 V CB 1.418 33.168 31.823 -0.121 0.000 0.991 223 V HN 0.587 nan 8.190 nan 0.000 0.437 224 D N 3.890 124.252 120.400 -0.063 0.000 2.393 224 D HA 0.197 4.838 4.640 0.001 0.000 0.232 224 D C 0.033 176.295 176.300 -0.063 0.000 1.192 224 D CA -0.148 53.821 54.000 -0.052 0.000 0.882 224 D CB 0.945 41.718 40.800 -0.045 0.000 1.038 224 D HN 0.602 nan 8.370 nan 0.000 0.499 225 C N 3.250 122.504 119.300 -0.077 0.000 2.557 225 C HA 0.137 4.598 4.460 0.001 0.000 0.281 225 C C 1.788 176.725 174.990 -0.087 0.000 1.490 225 C CA -0.331 58.633 59.018 -0.089 0.000 1.771 225 C CB -1.271 26.395 27.740 -0.123 0.000 2.887 225 C HN 0.702 nan 8.230 nan 0.000 0.527 226 T N -2.016 112.495 114.554 -0.071 0.000 3.169 226 T HA 0.423 4.773 4.350 0.001 0.000 0.250 226 T C 1.216 175.862 174.700 -0.090 0.000 1.111 226 T CA 0.854 62.914 62.100 -0.067 0.000 1.010 226 T CB 0.097 68.937 68.868 -0.047 0.000 0.984 226 T HN 0.975 nan 8.240 nan 0.000 0.537 227 G N 1.510 110.235 108.800 -0.126 0.000 2.562 227 G HA2 -0.251 3.709 3.960 0.001 0.000 0.250 227 G HA3 -0.251 3.709 3.960 0.001 0.000 0.250 227 G C 0.191 175.001 174.900 -0.149 0.000 1.269 227 G CA -0.108 44.849 45.100 -0.238 0.000 0.919 227 G HN 0.188 nan 8.290 nan 0.000 0.574 228 F N 0.957 120.830 119.950 -0.129 0.000 2.250 228 F HA -0.033 4.495 4.527 0.001 0.000 0.301 228 F C 2.826 178.524 175.800 -0.170 0.000 1.077 228 F CA 1.922 59.811 58.000 -0.185 0.000 1.348 228 F CB -0.581 38.286 39.000 -0.221 0.000 1.040 228 F HN 0.514 nan 8.300 nan 0.000 0.509 229 R N 0.811 121.339 120.500 0.047 0.000 2.119 229 R HA -0.136 4.205 4.340 0.001 0.000 0.246 229 R C 1.505 177.792 176.300 -0.022 0.000 1.146 229 R CA 1.322 57.420 56.100 -0.003 0.000 0.962 229 R CB -0.805 29.487 30.300 -0.013 0.000 0.863 229 R HN 0.361 nan 8.270 nan 0.000 0.442 230 G N 1.021 109.810 108.800 -0.018 0.000 2.395 230 G HA2 -0.270 3.691 3.960 0.001 0.000 0.300 230 G HA3 -0.270 3.691 3.960 0.001 0.000 0.300 230 G C 0.433 175.319 174.900 -0.024 0.000 0.998 230 G CA 0.508 45.600 45.100 -0.014 0.000 1.046 230 G HN 0.387 nan 8.290 nan 0.000 0.513 231 L N -0.728 120.476 121.223 -0.031 0.000 2.043 231 L HA -0.045 4.296 4.340 0.001 0.000 0.212 231 L C 2.631 179.469 176.870 -0.054 0.000 1.075 231 L CA 2.509 57.326 54.840 -0.038 0.000 0.752 231 L CB -0.264 41.773 42.059 -0.037 0.000 0.891 231 L HN 0.509 nan 8.230 nan 0.000 0.432 232 L N -2.072 119.114 121.223 -0.060 0.000 2.121 232 L HA -0.044 4.297 4.340 0.001 0.000 0.200 232 L C 2.393 179.222 176.870 -0.068 0.000 1.077 232 L CA 0.718 55.507 54.840 -0.087 0.000 0.766 232 L CB -0.519 41.482 42.059 -0.096 0.000 0.931 232 L HN 0.185 nan 8.230 nan 0.000 0.452 233 I N 0.534 121.078 120.570 -0.043 0.000 2.286 233 I HA -0.261 3.910 4.170 0.001 0.000 0.248 233 I C 1.756 177.871 176.117 -0.002 0.000 1.115 233 I CA 1.893 63.180 61.300 -0.021 0.000 1.392 233 I CB -0.204 37.800 38.000 0.006 0.000 1.065 233 I HN 0.279 nan 8.210 nan 0.000 0.418 234 N N -1.233 117.469 118.700 0.003 0.000 2.513 234 N HA 0.008 4.748 4.740 0.001 0.000 0.196 234 N C 1.651 177.157 175.510 -0.006 0.000 1.041 234 N CA 0.365 53.423 53.050 0.013 0.000 0.916 234 N CB -0.135 38.365 38.487 0.022 0.000 1.172 234 N HN 0.242 nan 8.380 nan 0.000 0.444 235 Q N 0.018 119.807 119.800 -0.019 0.000 2.167 235 Q HA -0.007 4.334 4.340 0.001 0.000 0.202 235 Q C 1.118 177.100 176.000 -0.031 0.000 0.970 235 Q CA 1.278 57.067 55.803 -0.023 0.000 0.855 235 Q CB 0.083 28.806 28.738 -0.025 0.000 0.911 235 Q HN 0.382 nan 8.270 nan 0.000 0.438 236 T N 0.409 114.934 114.554 -0.050 0.000 2.988 236 T HA 0.116 4.466 4.350 0.001 0.000 0.240 236 T C 1.662 176.328 174.700 -0.057 0.000 1.014 236 T CA 0.337 62.396 62.100 -0.069 0.000 1.155 236 T CB 0.108 68.906 68.868 -0.116 0.000 0.872 236 T HN 0.086 nan 8.240 nan 0.000 0.440 237 L N 0.708 121.896 121.223 -0.058 0.000 2.567 237 L HA 0.319 4.659 4.340 0.001 0.000 0.225 237 L C 1.692 178.546 176.870 -0.026 0.000 1.119 237 L CA 0.209 55.017 54.840 -0.053 0.000 0.871 237 L CB -0.213 41.801 42.059 -0.075 0.000 1.036 237 L HN 0.542 nan 8.230 nan 0.000 0.459 238 G N 0.520 109.312 108.800 -0.013 0.000 2.176 238 G HA2 -0.242 3.718 3.960 0.001 0.000 0.252 238 G HA3 -0.242 3.718 3.960 0.001 0.000 0.252 238 G C 0.623 175.532 174.900 0.014 0.000 1.024 238 G CA -0.043 45.059 45.100 0.003 0.000 0.755 238 G HN 0.507 nan 8.290 nan 0.000 0.507 239 G N -0.369 108.442 108.800 0.019 0.000 2.353 239 G HA2 0.385 4.345 3.960 0.001 0.000 0.239 239 G HA3 0.385 4.345 3.960 0.001 0.000 0.239 239 G C 0.399 175.337 174.900 0.064 0.000 1.295 239 G CA -0.267 44.855 45.100 0.037 0.000 0.884 239 G HN 0.594 nan 8.290 nan 0.000 0.537 240 R N 1.165 121.699 120.500 0.057 0.000 2.265 240 R HA 0.193 4.533 4.340 0.001 0.000 0.314 240 R C -0.831 175.527 176.300 0.096 0.000 1.053 240 R CA -0.469 55.674 56.100 0.071 0.000 0.931 240 R CB 1.121 31.445 30.300 0.039 0.000 1.024 240 R HN 0.484 nan 8.270 nan 0.000 0.457 241 F N 2.858 122.806 119.950 -0.003 0.000 2.411 241 F HA 0.111 4.638 4.527 0.001 0.000 0.350 241 F C 0.218 176.010 175.800 -0.013 0.000 1.114 241 F CA -0.230 57.762 58.000 -0.015 0.000 1.135 241 F CB 1.115 40.100 39.000 -0.024 0.000 1.120 241 F HN 0.337 nan 8.300 nan 0.000 0.495 242 Q N 5.451 124.917 119.800 -0.557 0.000 2.360 242 Q HA 0.231 4.572 4.340 0.001 0.000 0.254 242 Q C -0.598 175.152 176.000 -0.417 0.000 0.975 242 Q CA -0.462 55.165 55.803 -0.293 0.000 0.912 242 Q CB 1.155 29.804 28.738 -0.149 0.000 1.212 242 Q HN 0.717 nan 8.270 nan 0.000 0.452 243 S N 3.500 119.175 115.700 -0.043 0.000 2.565 243 S HA 0.232 4.702 4.470 0.001 0.000 0.276 243 S C 0.071 174.791 174.600 0.200 0.000 1.326 243 S CA -0.489 57.754 58.200 0.072 0.000 1.045 243 S CB 0.282 63.584 63.200 0.170 0.000 0.918 243 S HN 0.604 nan 8.310 nan 0.000 0.505 244 F N 2.707 122.707 119.950 0.084 0.000 2.660 244 F HA 0.292 4.819 4.527 0.001 0.000 0.302 244 F C 2.184 178.022 175.800 0.064 0.000 1.103 244 F CA -0.565 57.473 58.000 0.063 0.000 1.340 244 F CB -1.290 37.756 39.000 0.076 0.000 1.048 244 F HN 0.493 nan 8.300 nan 0.000 0.551 245 S N 0.629 116.460 115.700 0.218 0.000 2.400 245 S HA -0.209 4.262 4.470 0.001 0.000 0.232 245 S C 1.848 176.508 174.600 0.100 0.000 1.025 245 S CA 1.719 60.000 58.200 0.135 0.000 0.993 245 S CB -0.291 62.964 63.200 0.092 0.000 0.808 245 S HN 0.553 nan 8.310 nan 0.000 0.478 246 D N 1.340 121.801 120.400 0.103 0.000 2.219 246 D HA -0.088 4.553 4.640 0.001 0.000 0.205 246 D C 1.752 178.077 176.300 0.043 0.000 0.970 246 D CA 1.399 55.437 54.000 0.064 0.000 0.851 246 D CB -0.534 40.303 40.800 0.062 0.000 0.943 246 D HN 0.526 nan 8.370 nan 0.000 0.488 247 V N -3.008 116.940 119.914 0.056 0.000 3.570 247 V HA 0.343 4.464 4.120 0.001 0.000 0.257 247 V C 0.787 176.886 176.094 0.008 0.000 1.272 247 V CA -0.247 62.066 62.300 0.021 0.000 1.079 247 V CB -0.111 31.715 31.823 0.005 0.000 0.829 247 V HN 0.035 nan 8.190 nan 0.000 0.454 248 L N 2.615 123.874 121.223 0.059 0.000 2.462 248 L HA 0.491 4.832 4.340 0.001 0.000 0.255 248 L C -1.955 174.947 176.870 0.053 0.000 1.076 248 L CA -1.135 53.730 54.840 0.040 0.000 0.920 248 L CB 2.393 44.554 42.059 0.169 0.000 1.214 248 L HN 0.029 nan 8.230 nan 0.000 0.472 249 P HA -0.014 nan 4.420 nan 0.000 0.241 249 P C -0.058 177.283 177.300 0.068 0.000 1.191 249 P CA 0.102 63.222 63.100 0.034 0.000 0.771 249 P CB 0.153 31.866 31.700 0.022 0.000 0.929 250 N N 2.562 121.315 118.700 0.088 0.000 2.454 250 N HA -0.028 4.712 4.740 0.001 0.000 0.260 250 N C 0.999 176.541 175.510 0.052 0.000 1.218 250 N CA 0.476 53.588 53.050 0.103 0.000 0.904 250 N CB 0.012 38.625 38.487 0.209 0.000 1.065 250 N HN 0.291 nan 8.380 nan 0.000 0.462 251 N N 0.754 119.409 118.700 -0.074 0.000 2.113 251 N HA 0.089 4.830 4.740 0.001 0.000 0.223 251 N C -0.302 175.088 175.510 -0.200 0.000 1.310 251 N CA 0.016 53.006 53.050 -0.099 0.000 0.896 251 N CB 0.917 39.351 38.487 -0.087 0.000 1.097 251 N HN 0.313 nan 8.380 nan 0.000 0.507 252 R N -0.398 119.864 120.500 -0.397 0.000 2.799 252 R HA 0.872 5.213 4.340 0.001 0.000 0.270 252 R C -1.482 174.534 176.300 -0.473 0.000 1.010 252 R CA -0.867 54.941 56.100 -0.486 0.000 0.916 252 R CB 2.198 32.028 30.300 -0.784 0.000 1.228 252 R HN 0.124 nan 8.270 nan 0.000 0.469 253 A N 0.606 123.336 122.820 -0.149 0.000 2.587 253 A HA 0.723 5.044 4.320 0.001 0.000 0.293 253 A C -1.706 175.913 177.584 0.059 0.000 1.087 253 A CA -0.676 51.371 52.037 0.017 0.000 0.692 253 A CB 2.299 21.381 19.000 0.136 0.000 1.291 253 A HN 0.366 nan 8.150 nan 0.000 0.407 254 V N 0.231 120.114 119.914 -0.051 0.000 2.686 254 V HA 0.849 4.969 4.120 0.001 0.000 0.306 254 V C -0.380 175.549 176.094 -0.275 0.000 1.065 254 V CA 0.303 62.441 62.300 -0.270 0.000 0.894 254 V CB 1.448 33.007 31.823 -0.439 0.000 1.004 254 V HN 2.114 nan 8.190 nan 0.000 0.424 255 A N 6.550 129.237 122.820 -0.221 0.000 2.454 255 A HA 0.969 5.289 4.320 0.001 0.000 0.302 255 A C -1.632 175.887 177.584 -0.108 0.000 1.079 255 A CA -0.696 51.232 52.037 -0.182 0.000 0.731 255 A CB 1.874 20.900 19.000 0.044 0.000 1.299 255 A HN 0.924 nan 8.150 nan 0.000 0.413 256 L N 0.967 122.131 121.223 -0.097 0.000 2.401 256 L HA 0.560 4.900 4.340 0.001 0.000 0.266 256 L C -0.165 176.706 176.870 0.000 0.000 0.991 256 L CA -0.570 54.240 54.840 -0.050 0.000 0.818 256 L CB 2.453 44.463 42.059 -0.081 0.000 1.321 256 L HN 0.813 nan 8.230 nan 0.000 0.413 257 R N 1.889 122.402 120.500 0.021 0.000 2.207 257 R HA 0.535 4.875 4.340 0.001 0.000 0.334 257 R C -1.206 175.101 176.300 0.012 0.000 1.013 257 R CA -0.485 55.638 56.100 0.037 0.000 0.858 257 R CB 1.552 31.883 30.300 0.051 0.000 1.094 257 R HN 0.253 nan 8.270 nan 0.000 0.457 258 V N 6.144 126.061 119.914 0.005 0.000 2.304 258 V HA 0.255 4.376 4.120 0.001 0.000 0.278 258 V C -2.148 173.937 176.094 -0.015 0.000 1.018 258 V CA -2.315 59.977 62.300 -0.013 0.000 0.814 258 V CB 1.336 33.141 31.823 -0.030 0.000 1.021 258 V HN 0.639 nan 8.190 nan 0.000 0.440 259 P HA 0.155 nan 4.420 nan 0.000 0.266 259 P C -0.296 176.977 177.300 -0.045 0.000 1.195 259 P CA -0.111 62.974 63.100 -0.025 0.000 0.768 259 P CB 0.592 32.280 31.700 -0.021 0.000 0.838 260 R N 2.025 122.486 120.500 -0.065 0.000 2.229 260 R HA 0.103 4.443 4.340 0.001 0.000 0.328 260 R C 1.230 177.468 176.300 -0.104 0.000 1.009 260 R CA -0.186 55.860 56.100 -0.089 0.000 0.864 260 R CB 0.480 30.712 30.300 -0.113 0.000 1.085 260 R HN 0.388 nan 8.270 nan 0.000 0.453 261 E N 2.771 122.915 120.200 -0.093 0.000 2.028 261 E HA -0.083 4.267 4.350 0.001 0.000 0.190 261 E C -0.548 175.978 176.600 -0.124 0.000 0.984 261 E CA 1.432 57.777 56.400 -0.091 0.000 0.800 261 E CB 0.229 29.887 29.700 -0.071 0.000 0.758 261 E HN 0.585 nan 8.360 nan 0.000 0.448 262 N N 1.147 119.765 118.700 -0.138 0.000 2.469 262 N HA 0.103 4.843 4.740 0.001 0.000 0.253 262 N C -0.460 174.894 175.510 -0.259 0.000 0.970 262 N CA -0.295 52.651 53.050 -0.173 0.000 0.940 262 N CB 1.551 39.963 38.487 -0.125 0.000 1.128 262 N HN -0.017 nan 8.380 nan 0.000 0.503 263 D N 1.229 121.377 120.400 -0.419 0.000 2.158 263 D HA -0.178 4.462 4.640 0.001 0.000 0.197 263 D C 1.021 176.968 176.300 -0.589 0.000 0.995 263 D CA 1.354 54.874 54.000 -0.801 0.000 0.846 263 D CB 0.236 40.128 40.800 -1.513 0.000 0.941 263 D HN 0.565 nan 8.370 nan 0.000 0.456 264 E N 0.670 120.664 120.200 -0.343 0.000 2.482 264 E HA -0.075 4.275 4.350 0.001 0.000 0.196 264 E C 0.891 177.443 176.600 -0.081 0.000 1.047 264 E CA 0.287 56.601 56.400 -0.142 0.000 0.869 264 E CB -0.044 29.607 29.700 -0.082 0.000 0.836 264 E HN 0.317 nan 8.360 nan 0.000 0.520 265 D N 0.156 120.490 120.400 -0.110 0.000 2.363 265 D HA -0.043 4.597 4.640 0.001 0.000 0.220 265 D C 0.847 177.103 176.300 -0.073 0.000 0.994 265 D CA 0.157 54.111 54.000 -0.077 0.000 0.890 265 D CB -0.147 40.602 40.800 -0.086 0.000 0.906 265 D HN 0.194 nan 8.370 nan 0.000 0.530 266 M N 1.361 120.928 119.600 -0.055 0.000 2.356 266 M HA 0.003 4.484 4.480 0.001 0.000 0.348 266 M C -0.239 176.036 176.300 -0.042 0.000 1.595 266 M CA 0.229 55.518 55.300 -0.019 0.000 1.095 266 M CB 0.280 32.941 32.600 0.101 0.000 1.963 266 M HN -0.300 nan 8.290 nan 0.000 0.459 267 R N 6.935 127.334 120.500 -0.169 0.000 2.297 267 R HA 0.320 4.661 4.340 0.001 0.000 0.308 267 R C -1.952 174.195 176.300 -0.256 0.000 1.029 267 R CA -1.459 54.404 56.100 -0.396 0.000 0.929 267 R CB 0.473 30.207 30.300 -0.943 0.000 1.046 267 R HN 0.468 nan 8.270 nan 0.000 0.461 268 P HA 0.019 nan 4.420 nan 0.000 0.235 268 P C -1.633 175.852 177.300 0.309 0.000 1.725 268 P CA 0.191 63.382 63.100 0.151 0.000 0.894 268 P CB -0.160 31.632 31.700 0.152 0.000 1.704 269 Y N -4.683 115.815 120.300 0.331 0.000 2.662 269 Y HA 0.527 5.077 4.550 0.001 0.000 0.334 269 Y C -0.672 175.423 175.900 0.325 0.000 1.185 269 Y CA -1.348 56.949 58.100 0.329 0.000 1.074 269 Y CB -0.024 38.568 38.460 0.220 0.000 1.330 269 Y HN -0.379 nan 8.280 nan 0.000 0.458 270 T N 1.920 116.789 114.554 0.525 0.000 2.909 270 T HA 0.535 4.885 4.350 0.001 0.000 0.289 270 T C -0.464 174.392 174.700 0.261 0.000 1.005 270 T CA -0.259 62.017 62.100 0.294 0.000 1.084 270 T CB 1.004 70.049 68.868 0.296 0.000 0.975 270 T HN 0.680 nan 8.240 nan 0.000 0.509 271 T N 2.327 116.986 114.554 0.176 0.000 2.823 271 T HA 0.641 4.991 4.350 0.001 0.000 0.279 271 T C -0.401 174.366 174.700 0.111 0.000 0.998 271 T CA -0.682 61.476 62.100 0.097 0.000 0.994 271 T CB 1.361 70.296 68.868 0.111 0.000 0.960 271 T HN 0.662 nan 8.240 nan 0.000 0.448 272 A N 2.760 125.548 122.820 -0.053 0.000 2.360 272 A HA 0.625 4.945 4.320 0.001 0.000 0.309 272 A C 0.116 177.943 177.584 0.404 0.000 1.311 272 A CA -0.706 51.452 52.037 0.202 0.000 0.805 272 A CB 0.342 19.139 19.000 -0.339 0.000 1.144 272 A HN 0.693 nan 8.150 nan 0.000 0.486 273 T N 2.552 117.336 114.554 0.383 0.000 2.743 273 T HA 0.542 4.893 4.350 0.001 0.000 0.292 273 T C 0.566 175.286 174.700 0.035 0.000 0.972 273 T CA 0.077 62.282 62.100 0.175 0.000 0.967 273 T CB 1.204 70.093 68.868 0.035 0.000 0.926 273 T HN 0.988 nan 8.240 nan 0.000 0.459 274 A N 5.711 128.300 122.820 -0.385 0.000 2.511 274 A HA 0.550 4.871 4.320 0.001 0.000 0.242 274 A C 0.396 177.840 177.584 -0.233 0.000 1.069 274 A CA -0.106 51.563 52.037 -0.613 0.000 0.763 274 A CB 0.015 18.276 19.000 -1.232 0.000 1.001 274 A HN 0.727 nan 8.150 nan 0.000 0.498 275 M N 1.419 120.982 119.600 -0.061 0.000 2.792 275 M HA 0.263 4.744 4.480 0.001 0.000 0.290 275 M C 1.721 178.109 176.300 0.146 0.000 1.155 275 M CA 0.050 55.283 55.300 -0.112 0.000 0.781 275 M CB 0.859 33.156 32.600 -0.504 0.000 1.741 275 M HN 0.920 nan 8.290 nan 0.000 0.473 276 S N 0.242 115.997 115.700 0.091 0.000 2.402 276 S HA 0.054 4.525 4.470 0.001 0.000 0.229 276 S C 0.950 175.590 174.600 0.066 0.000 1.021 276 S CA 1.049 59.351 58.200 0.170 0.000 0.974 276 S CB -0.187 63.077 63.200 0.106 0.000 0.800 276 S HN 0.753 nan 8.310 nan 0.000 0.484 277 A N -0.414 122.325 122.820 -0.135 0.000 2.676 277 A HA 0.736 5.057 4.320 0.001 0.000 0.258 277 A C 0.585 177.502 177.584 -1.112 0.000 0.898 277 A CA -0.051 51.554 52.037 -0.719 0.000 1.087 277 A CB -0.044 18.838 19.000 -0.197 0.000 1.214 277 A HN 1.197 nan 8.150 nan 0.000 0.474 278 G N -0.572 107.742 108.800 -0.810 0.000 2.534 278 G HA2 0.360 4.321 3.960 0.001 0.000 0.142 278 G HA3 0.360 4.321 3.960 0.001 0.000 0.142 278 G C -1.322 173.758 174.900 0.300 0.000 1.178 278 G CA 0.148 45.116 45.100 -0.219 0.000 1.037 278 G HN 1.323 nan 8.290 nan 0.000 0.474 279 W N -0.708 120.740 121.300 0.248 0.000 3.137 279 W HA 0.761 5.422 4.660 0.001 0.000 0.324 279 W C -1.631 174.977 176.519 0.147 0.000 1.253 279 W CA -1.451 55.967 57.345 0.123 0.000 1.183 279 W CB 1.201 30.811 29.460 0.250 0.000 1.424 279 W HN 0.790 nan 8.180 nan 0.000 0.566 280 M N 3.518 123.191 119.600 0.121 0.000 2.253 280 M HA 0.410 4.891 4.480 0.001 0.000 0.314 280 M C -1.163 175.232 176.300 0.159 0.000 1.019 280 M CA -0.512 54.685 55.300 -0.172 0.000 0.932 280 M CB 2.069 34.499 32.600 -0.282 0.000 1.606 280 M HN 0.516 nan 8.290 nan 0.000 0.430 281 W N 4.061 125.348 121.300 -0.021 0.000 2.313 281 W HA 0.710 5.371 4.660 0.001 0.000 0.328 281 W C -1.581 174.980 176.519 0.070 0.000 1.197 281 W CA -0.538 56.930 57.345 0.204 0.000 1.235 281 W CB 0.386 29.981 29.460 0.225 0.000 1.158 281 W HN 0.532 nan 8.180 nan 0.000 0.578 282 T N 5.180 119.952 114.554 0.363 0.000 2.864 282 T HA 0.438 4.788 4.350 0.001 0.000 0.299 282 T C -0.701 174.097 174.700 0.164 0.000 1.011 282 T CA -0.435 61.787 62.100 0.204 0.000 0.975 282 T CB 0.352 69.253 68.868 0.056 0.000 0.962 282 T HN 0.400 nan 8.240 nan 0.000 0.448 283 I N 5.663 126.332 120.570 0.166 0.000 2.359 283 I HA 0.302 4.472 4.170 0.001 0.000 0.284 283 I C -2.393 173.605 176.117 -0.199 0.000 1.018 283 I CA -2.593 58.634 61.300 -0.121 0.000 1.173 283 I CB 1.975 39.962 38.000 -0.023 0.000 1.326 283 I HN 0.261 nan 8.210 nan 0.000 0.462 284 P HA 0.280 nan 4.420 nan 0.000 0.280 284 P C -0.618 176.659 177.300 -0.039 0.000 1.300 284 P CA 0.012 63.007 63.100 -0.175 0.000 0.785 284 P CB 0.532 32.131 31.700 -0.169 0.000 0.874 285 L N 2.756 124.010 121.223 0.051 0.000 2.376 285 L HA 0.474 4.814 4.340 0.001 0.000 0.267 285 L C 0.636 177.615 176.870 0.181 0.000 1.035 285 L CA -1.164 53.765 54.840 0.149 0.000 0.800 285 L CB 0.520 42.671 42.059 0.154 0.000 1.290 285 L HN 0.225 nan 8.230 nan 0.000 0.462 286 F N 2.207 122.196 119.950 0.065 0.000 2.494 286 F HA 0.053 4.580 4.527 0.001 0.000 0.369 286 F C 0.680 176.534 175.800 0.089 0.000 1.098 286 F CA 0.345 58.387 58.000 0.070 0.000 1.154 286 F CB -0.065 38.937 39.000 0.004 0.000 1.103 286 F HN 0.417 nan 8.300 nan 0.000 0.549 287 K N 2.674 122.938 120.400 -0.227 0.000 3.573 287 K HA -0.211 4.109 4.320 0.001 0.000 0.280 287 K C -0.356 176.207 176.600 -0.061 0.000 1.257 287 K CA 1.250 57.438 56.287 -0.165 0.000 0.990 287 K CB -1.203 31.240 32.500 -0.095 0.000 1.297 287 K HN 0.889 nan 8.250 nan 0.000 0.488 288 R N 0.050 120.542 120.500 -0.014 0.000 2.690 288 R HA 0.476 4.817 4.340 0.001 0.000 0.269 288 R C -1.765 174.541 176.300 0.010 0.000 1.037 288 R CA -0.980 55.119 56.100 -0.002 0.000 0.877 288 R CB 1.249 31.564 30.300 0.024 0.000 1.255 288 R HN -0.248 nan 8.270 nan 0.000 0.467 289 D N 0.579 120.980 120.400 0.001 0.000 2.163 289 D HA 0.364 5.004 4.640 0.001 0.000 0.248 289 D C -0.277 176.055 176.300 0.054 0.000 1.035 289 D CA -0.154 53.852 54.000 0.010 0.000 0.872 289 D CB 1.983 42.773 40.800 -0.018 0.000 1.183 289 D HN 0.674 nan 8.370 nan 0.000 0.445 290 G N 1.496 110.366 108.800 0.117 0.000 2.322 290 G HA2 0.330 4.290 3.960 0.001 0.000 0.309 290 G HA3 0.330 4.290 3.960 0.001 0.000 0.309 290 G C -0.158 174.880 174.900 0.231 0.000 1.121 290 G CA -0.544 44.684 45.100 0.213 0.000 0.886 290 G HN 0.292 nan 8.290 nan 0.000 0.447 291 N N 0.390 119.092 118.700 0.003 0.000 2.314 291 N HA 0.676 5.417 4.740 0.001 0.000 0.304 291 N C -0.408 174.602 175.510 -0.834 0.000 1.073 291 N CA -0.339 52.504 53.050 -0.345 0.000 0.822 291 N CB 2.506 40.850 38.487 -0.239 0.000 1.280 291 N HN 0.689 nan 8.380 nan 0.000 0.489 292 G N 0.902 108.650 108.800 -1.752 0.000 2.741 292 G HA2 0.283 4.243 3.960 0.001 0.000 0.293 292 G HA3 0.283 4.243 3.960 0.001 0.000 0.293 292 G C -1.966 172.185 174.900 -1.248 0.000 1.457 292 G CA -0.283 43.581 45.100 -2.059 0.000 1.098 292 G HN 0.341 nan 8.290 nan 0.000 0.536 293 Y N 3.475 123.310 120.300 -0.775 0.000 2.404 293 Y HA 0.558 5.109 4.550 0.001 0.000 0.344 293 Y C -0.393 175.328 175.900 -0.298 0.000 0.970 293 Y CA -1.463 56.354 58.100 -0.472 0.000 1.180 293 Y CB 1.370 39.648 38.460 -0.305 0.000 1.138 293 Y HN 0.287 nan 8.280 nan 0.000 0.510 294 V N 9.476 129.314 119.914 -0.127 0.000 2.407 294 V HA 0.348 4.469 4.120 0.001 0.000 0.278 294 V C -0.741 175.350 176.094 -0.005 0.000 1.037 294 V CA -0.390 61.820 62.300 -0.151 0.000 0.900 294 V CB 0.282 31.877 31.823 -0.380 0.000 0.983 294 V HN 0.691 nan 8.190 nan 0.000 0.459 295 Y N 2.054 122.251 120.300 -0.171 0.000 2.705 295 Y HA 0.758 5.308 4.550 0.001 0.000 0.332 295 Y C -0.429 175.449 175.900 -0.036 0.000 1.221 295 Y CA -1.238 56.739 58.100 -0.205 0.000 1.059 295 Y CB 1.741 39.872 38.460 -0.549 0.000 1.298 295 Y HN 0.390 nan 8.280 nan 0.000 0.459 296 S N 0.793 116.599 115.700 0.176 0.000 2.433 296 S HA 0.225 4.695 4.470 0.001 0.000 0.310 296 S C 0.024 174.816 174.600 0.319 0.000 1.097 296 S CA -0.273 58.051 58.200 0.207 0.000 1.103 296 S CB 0.364 63.820 63.200 0.427 0.000 0.992 296 S HN 0.786 nan 8.310 nan 0.000 0.469 297 D N 3.676 124.170 120.400 0.156 0.000 2.371 297 D HA -0.090 4.550 4.640 0.001 0.000 0.221 297 D C 1.095 177.445 176.300 0.084 0.000 0.986 297 D CA 0.634 54.754 54.000 0.200 0.000 0.899 297 D CB -0.136 40.737 40.800 0.122 0.000 0.902 297 D HN 0.755 nan 8.370 nan 0.000 0.530 298 E N -0.839 119.381 120.200 0.034 0.000 2.153 298 E HA -0.133 4.218 4.350 0.001 0.000 0.194 298 E C 0.815 177.211 176.600 -0.340 0.000 0.988 298 E CA 0.896 57.172 56.400 -0.207 0.000 0.811 298 E CB -0.143 29.320 29.700 -0.395 0.000 0.746 298 E HN 0.430 nan 8.360 nan 0.000 0.466 299 F N -0.742 119.260 119.950 0.088 0.000 2.727 299 F HA 0.351 4.879 4.527 0.001 0.000 0.302 299 F C 0.718 176.538 175.800 0.033 0.000 1.107 299 F CA -0.053 57.995 58.000 0.081 0.000 1.277 299 F CB 1.164 40.260 39.000 0.161 0.000 1.079 299 F HN -0.163 nan 8.300 nan 0.000 0.594 300 I N -0.471 120.194 120.570 0.160 0.000 2.842 300 I HA 0.285 4.456 4.170 0.001 0.000 0.297 300 I C -0.483 175.608 176.117 -0.043 0.000 1.380 300 I CA -0.739 60.560 61.300 -0.002 0.000 1.018 300 I CB 1.640 39.556 38.000 -0.139 0.000 1.311 300 I HN -0.069 nan 8.210 nan 0.000 0.439 301 S N 5.294 120.941 115.700 -0.089 0.000 2.652 301 S HA 0.526 4.996 4.470 0.001 0.000 0.270 301 S C -2.199 172.306 174.600 -0.158 0.000 1.243 301 S CA -0.973 57.192 58.200 -0.057 0.000 0.999 301 S CB 1.369 64.542 63.200 -0.045 0.000 0.973 301 S HN 0.480 nan 8.310 nan 0.000 0.544 302 P HA -0.084 nan 4.420 nan 0.000 0.216 302 P C 0.978 178.266 177.300 -0.020 0.000 1.150 302 P CA 1.279 64.389 63.100 0.017 0.000 0.837 302 P CB -0.001 31.705 31.700 0.011 0.000 0.786 303 E N -0.324 119.837 120.200 -0.064 0.000 2.072 303 E HA -0.169 4.181 4.350 0.001 0.000 0.191 303 E C 1.949 178.516 176.600 -0.055 0.000 0.985 303 E CA 1.176 57.550 56.400 -0.043 0.000 0.801 303 E CB -0.677 28.993 29.700 -0.049 0.000 0.750 303 E HN 0.419 nan 8.360 nan 0.000 0.452 304 E N 0.215 120.356 120.200 -0.098 0.000 2.072 304 E HA -0.101 4.250 4.350 0.001 0.000 0.190 304 E C 2.066 178.584 176.600 -0.138 0.000 0.982 304 E CA 0.852 57.193 56.400 -0.098 0.000 0.803 304 E CB -0.141 29.503 29.700 -0.095 0.000 0.755 304 E HN 0.262 nan 8.360 nan 0.000 0.453 305 A N 1.554 124.182 122.820 -0.320 0.000 1.902 305 A HA -0.266 4.054 4.320 0.001 0.000 0.217 305 A C 2.077 179.574 177.584 -0.145 0.000 1.181 305 A CA 1.706 53.459 52.037 -0.473 0.000 0.623 305 A CB -0.485 17.701 19.000 -1.355 0.000 0.818 305 A HN 0.277 nan 8.150 nan 0.000 0.443 306 E N -0.404 119.738 120.200 -0.097 0.000 2.077 306 E HA -0.242 4.108 4.350 0.001 0.000 0.193 306 E C 2.281 178.872 176.600 -0.014 0.000 0.989 306 E CA 1.238 57.623 56.400 -0.025 0.000 0.800 306 E CB -0.159 29.588 29.700 0.077 0.000 0.746 306 E HN 0.576 nan 8.360 nan 0.000 0.452 307 R N 0.421 120.912 120.500 -0.015 0.000 2.073 307 R HA -0.182 4.159 4.340 0.001 0.000 0.234 307 R C 2.398 178.689 176.300 -0.014 0.000 1.134 307 R CA 1.841 57.932 56.100 -0.014 0.000 0.952 307 R CB -0.152 30.137 30.300 -0.017 0.000 0.850 307 R HN 0.268 nan 8.270 nan 0.000 0.433 308 E N 0.186 120.390 120.200 0.007 0.000 2.077 308 E HA -0.218 4.133 4.350 0.001 0.000 0.193 308 E C 2.016 178.584 176.600 -0.054 0.000 0.989 308 E CA 1.087 57.487 56.400 0.000 0.000 0.800 308 E CB -0.052 29.700 29.700 0.086 0.000 0.746 308 E HN 0.209 nan 8.360 nan 0.000 0.452 309 L N 1.327 122.543 121.223 -0.012 0.000 1.989 309 L HA -0.205 4.135 4.340 0.001 0.000 0.211 309 L C 2.377 179.191 176.870 -0.094 0.000 1.071 309 L CA 1.826 56.614 54.840 -0.086 0.000 0.749 309 L CB -0.301 41.730 42.059 -0.047 0.000 0.890 309 L HN 0.002 nan 8.230 nan 0.000 0.431 310 R N -0.921 119.542 120.500 -0.062 0.000 2.091 310 R HA -0.130 4.210 4.340 0.001 0.000 0.238 310 R C 2.280 178.547 176.300 -0.055 0.000 1.136 310 R CA 1.599 57.666 56.100 -0.055 0.000 0.959 310 R CB -0.574 29.704 30.300 -0.036 0.000 0.856 310 R HN 0.413 nan 8.270 nan 0.000 0.437 311 S N -0.174 115.495 115.700 -0.052 0.000 2.400 311 S HA -0.123 4.347 4.470 0.001 0.000 0.232 311 S C 1.822 176.385 174.600 -0.062 0.000 1.025 311 S CA 1.785 59.955 58.200 -0.049 0.000 0.993 311 S CB -0.139 63.035 63.200 -0.044 0.000 0.808 311 S HN 0.425 nan 8.310 nan 0.000 0.478 312 T N 1.053 115.557 114.554 -0.085 0.000 2.894 312 T HA 0.030 4.380 4.350 0.001 0.000 0.258 312 T C 1.912 176.559 174.700 -0.088 0.000 1.043 312 T CA 1.337 63.379 62.100 -0.098 0.000 1.141 312 T CB -0.037 68.743 68.868 -0.146 0.000 0.873 312 T HN 0.465 nan 8.240 nan 0.000 0.449 313 V N -2.444 117.416 119.914 -0.091 0.000 3.612 313 V HA 0.810 4.931 4.120 0.001 0.000 0.268 313 V C 0.725 176.780 176.094 -0.066 0.000 1.365 313 V CA 0.176 62.426 62.300 -0.083 0.000 1.044 313 V CB 0.178 31.939 31.823 -0.103 0.000 0.820 313 V HN 0.289 nan 8.190 nan 0.000 0.444 314 A N 1.587 124.372 122.820 -0.060 0.000 3.448 314 A HA 0.646 4.967 4.320 0.001 0.000 0.232 314 A C -2.897 174.664 177.584 -0.039 0.000 1.018 314 A CA -0.836 51.174 52.037 -0.046 0.000 0.996 314 A CB 0.009 18.982 19.000 -0.045 0.000 1.283 314 A HN 0.376 nan 8.150 nan 0.000 0.586 315 P HA 0.285 nan 4.420 nan 0.000 0.268 315 P C 1.088 178.373 177.300 -0.025 0.000 1.204 315 P CA 1.942 65.023 63.100 -0.030 0.000 0.768 315 P CB 0.937 32.619 31.700 -0.030 0.000 0.842 316 G N 3.111 111.899 108.800 -0.021 0.000 2.162 316 G HA2 -0.245 3.716 3.960 0.001 0.000 0.260 316 G HA3 -0.245 3.716 3.960 0.001 0.000 0.260 316 G C 0.492 175.383 174.900 -0.015 0.000 0.976 316 G CA -0.276 44.814 45.100 -0.016 0.000 0.655 316 G HN 0.558 nan 8.290 nan 0.000 0.533 317 R N 0.897 121.387 120.500 -0.018 0.000 4.048 317 R HA 0.235 4.575 4.340 0.001 0.000 0.290 317 R C 0.517 176.810 176.300 -0.012 0.000 1.519 317 R CA -0.474 55.616 56.100 -0.016 0.000 1.446 317 R CB 0.036 30.324 30.300 -0.020 0.000 1.455 317 R HN 0.271 nan 8.270 nan 0.000 0.706 318 D N 1.382 121.777 120.400 -0.008 0.000 2.351 318 D HA -0.143 4.498 4.640 0.001 0.000 0.216 318 D C 1.155 177.455 176.300 0.000 0.000 0.968 318 D CA 0.933 54.931 54.000 -0.003 0.000 0.899 318 D CB 0.355 41.154 40.800 -0.002 0.000 0.907 318 D HN 0.441 nan 8.370 nan 0.000 0.514 319 D N 0.374 120.773 120.400 -0.001 0.000 2.178 319 D HA -0.167 4.474 4.640 0.001 0.000 0.201 319 D C 1.055 177.357 176.300 0.004 0.000 0.980 319 D CA 0.313 54.314 54.000 0.002 0.000 0.842 319 D CB -0.405 40.395 40.800 0.000 0.000 0.948 319 D HN 0.231 nan 8.370 nan 0.000 0.472 320 L N 1.307 122.529 121.223 -0.001 0.000 2.360 320 L HA 0.151 4.492 4.340 0.001 0.000 0.276 320 L C 0.792 177.664 176.870 0.003 0.000 1.121 320 L CA -0.150 54.690 54.840 0.000 0.000 0.845 320 L CB 0.763 42.817 42.059 -0.009 0.000 1.143 320 L HN 0.025 nan 8.230 nan 0.000 0.452 321 E N 2.533 122.740 120.200 0.011 0.000 2.259 321 E HA 0.442 4.793 4.350 0.001 0.000 0.281 321 E C -0.633 175.974 176.600 0.012 0.000 1.027 321 E CA -0.619 55.793 56.400 0.019 0.000 0.838 321 E CB 1.509 31.226 29.700 0.029 0.000 1.066 321 E HN 0.680 nan 8.360 nan 0.000 0.401 322 A N 4.472 127.300 122.820 0.013 0.000 2.316 322 A HA 0.283 4.604 4.320 0.001 0.000 0.284 322 A C -0.205 177.379 177.584 0.000 0.000 1.115 322 A CA -0.642 51.378 52.037 -0.028 0.000 0.812 322 A CB 0.753 19.720 19.000 -0.055 0.000 1.064 322 A HN 0.682 nan 8.150 nan 0.000 0.489 323 N N 1.024 119.690 118.700 -0.056 0.000 2.354 323 N HA 0.242 4.983 4.740 0.001 0.000 0.287 323 N C -1.440 174.026 175.510 -0.073 0.000 1.016 323 N CA -0.333 52.723 53.050 0.010 0.000 0.871 323 N CB 0.957 39.474 38.487 0.051 0.000 1.299 323 N HN 0.699 nan 8.380 nan 0.000 0.482 324 H N 3.409 122.513 119.070 0.057 0.000 2.472 324 H HA 0.496 5.052 4.556 0.001 0.000 0.338 324 H C -0.296 175.070 175.328 0.064 0.000 1.133 324 H CA -0.454 55.631 56.048 0.062 0.000 1.216 324 H CB 2.039 31.831 29.762 0.050 0.000 1.497 324 H HN 0.425 nan 8.280 nan 0.000 0.500 325 I N 2.381 123.049 120.570 0.163 0.000 2.769 325 I HA 0.156 4.327 4.170 0.001 0.000 0.298 325 I C -0.399 175.751 176.117 0.056 0.000 1.128 325 I CA -0.560 60.809 61.300 0.115 0.000 1.031 325 I CB 2.544 40.626 38.000 0.136 0.000 1.235 325 I HN 0.514 nan 8.210 nan 0.000 0.423 326 Q N 5.222 125.032 119.800 0.016 0.000 2.312 326 Q HA 0.675 5.016 4.340 0.001 0.000 0.263 326 Q C -1.055 174.834 176.000 -0.184 0.000 0.995 326 Q CA -0.655 55.099 55.803 -0.082 0.000 0.853 326 Q CB 3.100 31.782 28.738 -0.093 0.000 1.300 326 Q HN 0.475 nan 8.270 nan 0.000 0.448 327 M N 1.536 120.974 119.600 -0.270 0.000 2.436 327 M HA 0.479 4.959 4.480 0.001 0.000 0.331 327 M C -0.433 175.435 176.300 -0.720 0.000 1.135 327 M CA -0.620 54.369 55.300 -0.518 0.000 0.987 327 M CB 2.112 34.688 32.600 -0.039 0.000 1.687 327 M HN 0.342 nan 8.290 nan 0.000 0.445 328 R N 3.175 122.828 120.500 -1.411 0.000 2.230 328 R HA 0.438 4.778 4.340 0.001 0.000 0.337 328 R C -1.284 174.942 176.300 -0.124 0.000 1.063 328 R CA -0.379 55.256 56.100 -0.775 0.000 0.935 328 R CB 0.478 30.182 30.300 -0.994 0.000 1.121 328 R HN 0.647 nan 8.270 nan 0.000 0.486 329 I N 4.421 125.053 120.570 0.105 0.000 2.315 329 I HA 0.509 4.680 4.170 0.001 0.000 0.291 329 I C 0.919 177.085 176.117 0.080 0.000 1.006 329 I CA 0.229 61.683 61.300 0.257 0.000 1.265 329 I CB 0.725 38.864 38.000 0.232 0.000 1.387 329 I HN 0.956 nan 8.210 nan 0.000 0.475 330 G N 7.226 115.844 108.800 -0.304 0.000 2.320 330 G HA2 0.164 4.124 3.960 0.001 0.000 0.274 330 G HA3 0.164 4.124 3.960 0.001 0.000 0.274 330 G C -1.195 173.097 174.900 -1.013 0.000 1.324 330 G CA -0.931 43.294 45.100 -1.459 0.000 0.957 330 G HN 0.794 nan 8.290 nan 0.000 0.481 331 R N -0.637 119.098 120.500 -1.274 0.000 2.739 331 R HA 0.629 4.970 4.340 0.001 0.000 0.271 331 R C -0.845 174.953 176.300 -0.836 0.000 1.010 331 R CA -1.081 54.605 56.100 -0.690 0.000 0.897 331 R CB 1.007 31.158 30.300 -0.249 0.000 1.236 331 R HN 0.441 nan 8.270 nan 0.000 0.466 332 N N 1.405 119.922 118.700 -0.304 0.000 2.441 332 N HA -0.041 4.699 4.740 0.001 0.000 0.251 332 N C 0.566 176.008 175.510 -0.112 0.000 1.242 332 N CA 0.040 53.020 53.050 -0.116 0.000 0.898 332 N CB 0.861 39.395 38.487 0.079 0.000 1.100 332 N HN 0.626 nan 8.380 nan 0.000 0.443 333 E N 1.694 121.851 120.200 -0.072 0.000 2.085 333 E HA -0.115 4.236 4.350 0.001 0.000 0.194 333 E C 0.078 176.664 176.600 -0.023 0.000 0.994 333 E CA 1.510 57.885 56.400 -0.042 0.000 0.801 333 E CB 0.232 29.920 29.700 -0.020 0.000 0.743 333 E HN 0.472 nan 8.360 nan 0.000 0.453 334 R N -0.580 119.922 120.500 0.004 0.000 2.628 334 R HA 0.233 4.573 4.340 0.001 0.000 0.288 334 R C 0.803 177.146 176.300 0.071 0.000 0.980 334 R CA 0.114 56.234 56.100 0.035 0.000 0.891 334 R CB 1.547 31.873 30.300 0.043 0.000 1.188 334 R HN 0.023 nan 8.270 nan 0.000 0.450 335 T N -2.184 112.442 114.554 0.121 0.000 3.044 335 T HA 0.091 4.441 4.350 0.001 0.000 0.250 335 T C 0.161 174.993 174.700 0.220 0.000 1.081 335 T CA -0.026 62.163 62.100 0.149 0.000 1.040 335 T CB 0.376 69.327 68.868 0.139 0.000 0.962 335 T HN 0.463 nan 8.240 nan 0.000 0.506 336 W N 2.166 123.498 121.300 0.053 0.000 2.424 336 W HA 0.664 5.325 4.660 0.001 0.000 0.318 336 W C -1.995 174.475 176.519 -0.082 0.000 1.016 336 W CA -2.824 54.501 57.345 -0.034 0.000 1.268 336 W CB 0.529 29.950 29.460 -0.065 0.000 1.297 336 W HN 0.073 nan 8.180 nan 0.000 0.428 337 I N 8.119 128.839 120.570 0.249 0.000 2.436 337 I HA 0.184 4.355 4.170 0.001 0.000 0.289 337 I C 0.443 176.490 176.117 -0.116 0.000 1.010 337 I CA -0.492 60.835 61.300 0.046 0.000 1.098 337 I CB 1.541 39.524 38.000 -0.028 0.000 1.266 337 I HN 0.456 nan 8.210 nan 0.000 0.434 338 N N 4.001 122.488 118.700 -0.355 0.000 1.424 338 N HA -0.299 4.442 4.740 0.001 0.000 0.147 338 N C 0.440 175.290 175.510 -1.101 0.000 0.709 338 N CA 2.099 54.471 53.050 -1.130 0.000 1.052 338 N CB -0.808 36.871 38.487 -1.346 0.000 1.281 338 N HN 0.897 nan 8.380 nan 0.000 0.478 339 N N 0.814 118.872 118.700 -1.069 0.000 2.389 339 N HA 0.264 5.004 4.740 0.001 0.000 0.260 339 N C -0.735 174.695 175.510 -0.133 0.000 1.191 339 N CA -0.212 52.541 53.050 -0.495 0.000 0.885 339 N CB -0.296 37.945 38.487 -0.411 0.000 1.162 339 N HN 0.550 nan 8.380 nan 0.000 0.512 340 C N 0.709 119.880 119.300 -0.214 0.000 2.396 340 C HA 0.711 5.172 4.460 0.001 0.000 0.321 340 C C -0.865 173.913 174.990 -0.353 0.000 1.233 340 C CA -0.330 58.572 59.018 -0.194 0.000 1.440 340 C CB 0.451 28.109 27.740 -0.137 0.000 2.110 340 C HN 0.184 nan 8.230 nan 0.000 0.473 341 V N 5.807 125.463 119.914 -0.429 0.000 2.487 341 V HA 0.732 4.852 4.120 0.001 0.000 0.298 341 V C 0.572 176.552 176.094 -0.190 0.000 1.028 341 V CA -0.327 61.711 62.300 -0.436 0.000 0.860 341 V CB 1.450 32.804 31.823 -0.782 0.000 0.991 341 V HN 1.129 nan 8.190 nan 0.000 0.427 342 A N 4.650 127.428 122.820 -0.071 0.000 2.331 342 A HA 0.802 5.123 4.320 0.001 0.000 0.283 342 A C -0.550 177.028 177.584 -0.010 0.000 1.142 342 A CA -0.359 51.662 52.037 -0.026 0.000 0.812 342 A CB 0.912 19.925 19.000 0.021 0.000 1.074 342 A HN 0.747 nan 8.150 nan 0.000 0.497 343 V N 2.292 122.190 119.914 -0.027 0.000 2.638 343 V HA 0.742 4.862 4.120 0.001 0.000 0.306 343 V C 0.760 176.844 176.094 -0.017 0.000 1.052 343 V CA 0.622 62.907 62.300 -0.024 0.000 0.885 343 V CB 0.823 32.613 31.823 -0.056 0.000 0.999 343 V HN 2.186 nan 8.190 nan 0.000 0.424 344 G N 3.574 112.385 108.800 0.018 0.000 2.499 344 G HA2 -0.147 3.813 3.960 0.001 0.000 0.232 344 G HA3 -0.147 3.813 3.960 0.001 0.000 0.232 344 G C 0.154 175.112 174.900 0.095 0.000 1.251 344 G CA -0.010 45.119 45.100 0.047 0.000 0.917 344 G HN 0.674 nan 8.290 nan 0.000 0.580 345 L N 2.104 123.344 121.223 0.028 0.000 2.187 345 L HA -0.002 4.338 4.340 0.001 0.000 0.213 345 L C 3.306 180.229 176.870 0.089 0.000 1.100 345 L CA 3.008 57.856 54.840 0.013 0.000 0.765 345 L CB -0.946 40.806 42.059 -0.512 0.000 0.904 345 L HN 1.008 nan 8.230 nan 0.000 0.437 346 S N -1.234 114.482 115.700 0.027 0.000 2.419 346 S HA -0.136 4.335 4.470 0.001 0.000 0.233 346 S C 2.044 176.728 174.600 0.139 0.000 1.016 346 S CA 0.863 59.099 58.200 0.060 0.000 0.974 346 S CB -0.447 62.757 63.200 0.006 0.000 0.786 346 S HN 0.355 nan 8.310 nan 0.000 0.492 347 A N 1.555 124.459 122.820 0.140 0.000 1.887 347 A HA 0.762 5.082 4.320 0.001 0.000 0.212 347 A C 1.056 178.757 177.584 0.195 0.000 1.198 347 A CA 0.791 52.910 52.037 0.135 0.000 0.628 347 A CB -0.360 18.680 19.000 0.066 0.000 0.847 347 A HN 1.341 nan 8.150 nan 0.000 0.449 348 A N -2.359 120.618 122.820 0.261 0.000 2.583 348 A HA 0.578 4.899 4.320 0.001 0.000 0.292 348 A C -1.581 176.316 177.584 0.522 0.000 1.045 348 A CA -0.245 51.970 52.037 0.298 0.000 0.672 348 A CB 0.320 19.345 19.000 0.041 0.000 1.283 348 A HN 1.207 nan 8.150 nan 0.000 0.419 349 F N 0.643 120.813 119.950 0.366 0.000 2.635 349 F HA 0.615 5.143 4.527 0.001 0.000 0.314 349 F C -0.918 175.114 175.800 0.386 0.000 1.119 349 F CA -0.234 58.025 58.000 0.433 0.000 1.000 349 F CB 1.868 41.170 39.000 0.503 0.000 1.278 349 F HN 1.195 nan 8.300 nan 0.000 0.446 350 V N 1.786 121.544 119.914 -0.261 0.000 3.074 350 V HA 0.617 4.737 4.120 0.001 0.000 0.314 350 V C -0.626 175.093 176.094 -0.625 0.000 1.117 350 V CA -0.959 61.239 62.300 -0.171 0.000 1.014 350 V CB 1.666 33.602 31.823 0.188 0.000 1.057 350 V HN 0.920 nan 8.190 nan 0.000 0.438 351 E N 2.675 122.820 120.200 -0.092 0.000 2.437 351 E HA 0.163 4.514 4.350 0.001 0.000 0.263 351 E C -2.023 174.660 176.600 0.138 0.000 1.030 351 E CA -1.158 55.323 56.400 0.135 0.000 0.934 351 E CB 0.413 30.403 29.700 0.483 0.000 0.943 351 E HN 0.632 nan 8.360 nan 0.000 0.444 352 P HA -0.024 nan 4.420 nan 0.000 0.269 352 P C 0.670 178.187 177.300 0.362 0.000 1.601 352 P CA -0.055 63.183 63.100 0.230 0.000 0.831 352 P CB -0.047 31.733 31.700 0.134 0.000 1.688 353 L N 0.363 121.719 121.223 0.222 0.000 2.201 353 L HA -0.032 4.308 4.340 0.001 0.000 0.212 353 L C 1.352 178.121 176.870 -0.168 0.000 1.105 353 L CA 1.966 56.625 54.840 -0.302 0.000 0.775 353 L CB -0.449 41.301 42.059 -0.515 0.000 0.913 353 L HN -0.085 nan 8.230 nan 0.000 0.440 354 E N -0.778 119.424 120.200 0.003 0.000 2.887 354 E HA 0.228 4.578 4.350 0.001 0.000 0.206 354 E C 0.007 176.842 176.600 0.391 0.000 0.983 354 E CA 0.346 56.873 56.400 0.213 0.000 1.141 354 E CB 0.286 30.107 29.700 0.201 0.000 1.061 354 E HN 0.295 nan 8.360 nan 0.000 0.468 355 S N 0.298 116.143 115.700 0.242 0.000 3.628 355 S HA -0.170 4.300 4.470 0.001 0.000 0.373 355 S C 1.135 175.836 174.600 0.169 0.000 0.968 355 S CA 1.157 59.488 58.200 0.219 0.000 1.215 355 S CB -2.061 61.321 63.200 0.303 0.000 0.912 355 S HN 0.521 nan 8.310 nan 0.000 0.495 356 T N -2.927 111.613 114.554 -0.023 0.000 3.060 356 T HA 0.336 4.687 4.350 0.001 0.000 0.249 356 T C 1.947 176.299 174.700 -0.580 0.000 1.079 356 T CA 0.672 62.570 62.100 -0.337 0.000 1.013 356 T CB 0.139 68.762 68.868 -0.409 0.000 0.975 356 T HN 0.585 nan 8.240 nan 0.000 0.518 357 G N 2.579 111.178 108.800 -0.335 0.000 2.421 357 G HA2 -0.091 3.869 3.960 0.001 0.000 0.216 357 G HA3 -0.091 3.869 3.960 0.001 0.000 0.216 357 G C 1.404 176.234 174.900 -0.116 0.000 1.171 357 G CA 0.744 45.730 45.100 -0.190 0.000 0.775 357 G HN 0.440 nan 8.290 nan 0.000 0.543 358 I N 0.389 120.894 120.570 -0.109 0.000 2.315 358 I HA -0.052 4.118 4.170 0.001 0.000 0.248 358 I C 2.436 178.464 176.117 -0.149 0.000 1.117 358 I CA 0.642 61.885 61.300 -0.094 0.000 1.404 358 I CB -1.129 36.865 38.000 -0.010 0.000 1.071 358 I HN 0.209 nan 8.210 nan 0.000 0.419 359 F N 2.210 121.907 119.950 -0.422 0.000 2.069 359 F HA -0.278 4.250 4.527 0.001 0.000 0.298 359 F C 2.328 178.098 175.800 -0.049 0.000 1.113 359 F CA 1.612 59.343 58.000 -0.448 0.000 1.214 359 F CB -0.721 37.571 39.000 -1.181 0.000 0.978 359 F HN -0.091 nan 8.300 nan 0.000 0.474 360 F N 0.821 120.498 119.950 -0.454 0.000 2.161 360 F HA -0.202 4.325 4.527 0.001 0.000 0.300 360 F C 2.461 178.091 175.800 -0.284 0.000 1.089 360 F CA 1.120 58.878 58.000 -0.403 0.000 1.282 360 F CB -1.465 37.460 39.000 -0.125 0.000 1.010 360 F HN 0.078 nan 8.300 nan 0.000 0.485 361 I N -0.520 120.029 120.570 -0.034 0.000 2.202 361 I HA -0.300 3.871 4.170 0.001 0.000 0.242 361 I C 2.608 178.606 176.117 -0.199 0.000 1.091 361 I CA 1.341 62.577 61.300 -0.107 0.000 1.368 361 I CB -0.554 37.368 38.000 -0.130 0.000 1.058 361 I HN 0.149 nan 8.210 nan 0.000 0.410 362 Q N 0.359 120.008 119.800 -0.252 0.000 2.020 362 Q HA -0.319 4.022 4.340 0.001 0.000 0.202 362 Q C 2.330 178.225 176.000 -0.174 0.000 0.982 362 Q CA 2.066 57.704 55.803 -0.276 0.000 0.838 362 Q CB -0.169 28.448 28.738 -0.201 0.000 0.899 362 Q HN 0.495 nan 8.270 nan 0.000 0.423 363 H N -0.093 118.816 119.070 -0.268 0.000 2.319 363 H HA -0.067 4.489 4.556 0.001 0.000 0.299 363 H C 1.764 177.000 175.328 -0.153 0.000 1.092 363 H CA 2.087 58.014 56.048 -0.202 0.000 1.302 363 H CB -0.349 29.226 29.762 -0.311 0.000 1.373 363 H HN 0.411 nan 8.280 nan 0.000 0.497 364 A N 0.262 122.970 122.820 -0.187 0.000 1.940 364 A HA -0.119 4.202 4.320 0.001 0.000 0.219 364 A C 2.601 180.160 177.584 -0.042 0.000 1.176 364 A CA 1.727 53.687 52.037 -0.129 0.000 0.631 364 A CB -0.751 18.214 19.000 -0.060 0.000 0.814 364 A HN 0.497 nan 8.150 nan 0.000 0.446 365 I N -0.756 119.729 120.570 -0.143 0.000 2.233 365 I HA -0.201 3.970 4.170 0.001 0.000 0.243 365 I C 2.482 178.450 176.117 -0.249 0.000 1.093 365 I CA 1.301 62.491 61.300 -0.183 0.000 1.380 365 I CB -0.430 37.394 38.000 -0.292 0.000 1.067 365 I HN 0.393 nan 8.210 nan 0.000 0.413 366 E N 0.475 120.450 120.200 -0.376 0.000 2.085 366 E HA -0.251 4.100 4.350 0.001 0.000 0.194 366 E C 2.161 178.743 176.600 -0.029 0.000 0.994 366 E CA 1.015 57.239 56.400 -0.294 0.000 0.801 366 E CB -0.062 29.511 29.700 -0.211 0.000 0.743 366 E HN 0.442 nan 8.360 nan 0.000 0.453 367 Q N 0.242 120.024 119.800 -0.028 0.000 2.297 367 Q HA -0.092 4.248 4.340 0.001 0.000 0.204 367 Q C 2.245 178.560 176.000 0.526 0.000 0.962 367 Q CA 0.516 56.442 55.803 0.206 0.000 0.879 367 Q CB -0.156 28.535 28.738 -0.080 0.000 0.947 367 Q HN 0.238 nan 8.270 nan 0.000 0.462 368 L N -0.044 121.402 121.223 0.373 0.000 2.056 368 L HA -0.102 4.239 4.340 0.001 0.000 0.207 368 L C 2.083 179.182 176.870 0.381 0.000 1.078 368 L CA 1.335 56.327 54.840 0.253 0.000 0.749 368 L CB -0.690 41.403 42.059 0.056 0.000 0.901 368 L HN -0.086 nan 8.230 nan 0.000 0.433 369 V N 0.109 120.200 119.914 0.295 0.000 2.287 369 V HA -0.323 3.798 4.120 0.001 0.000 0.248 369 V C 2.628 178.927 176.094 0.340 0.000 1.053 369 V CA 2.211 64.686 62.300 0.292 0.000 1.027 369 V CB -0.741 31.139 31.823 0.095 0.000 0.646 369 V HN 0.473 nan 8.190 nan 0.000 0.447 370 K N -0.641 119.919 120.400 0.268 0.000 2.103 370 K HA -0.175 4.146 4.320 0.001 0.000 0.207 370 K C 1.520 178.154 176.600 0.057 0.000 1.048 370 K CA 1.701 58.077 56.287 0.149 0.000 0.930 370 K CB -0.210 32.347 32.500 0.095 0.000 0.716 370 K HN 0.602 nan 8.250 nan 0.000 0.444 371 H N -1.353 117.886 119.070 0.281 0.000 2.487 371 H HA 0.140 4.697 4.556 0.001 0.000 0.290 371 H C -0.697 174.808 175.328 0.295 0.000 1.081 371 H CA -0.608 55.590 56.048 0.249 0.000 1.116 371 H CB -0.279 29.655 29.762 0.286 0.000 1.560 371 H HN -0.010 nan 8.280 nan 0.000 0.548 372 F N 4.193 124.287 119.950 0.240 0.000 2.608 372 F HA 0.111 4.638 4.527 0.001 0.000 0.380 372 F C -1.750 174.087 175.800 0.061 0.000 1.083 372 F CA -2.279 55.834 58.000 0.189 0.000 1.266 372 F CB 0.629 39.755 39.000 0.211 0.000 1.076 372 F HN 0.104 nan 8.300 nan 0.000 0.574 373 P HA 0.243 nan 4.420 nan 0.000 0.275 373 P C -0.257 176.762 177.300 -0.469 0.000 1.228 373 P CA -0.345 62.443 63.100 -0.520 0.000 0.786 373 P CB 1.032 32.078 31.700 -1.091 0.000 0.927 374 G N 1.269 109.850 108.800 -0.366 0.000 2.543 374 G HA2 0.164 4.125 3.960 0.001 0.000 0.290 374 G HA3 0.164 4.125 3.960 0.001 0.000 0.290 374 G C 0.853 175.523 174.900 -0.384 0.000 1.310 374 G CA -0.372 44.567 45.100 -0.268 0.000 1.025 374 G HN 0.604 nan 8.290 nan 0.000 0.502 375 E N -0.907 119.180 120.200 -0.188 0.000 2.204 375 E HA -0.096 4.254 4.350 0.001 0.000 0.195 375 E C 0.753 177.348 176.600 -0.009 0.000 0.990 375 E CA 0.661 57.008 56.400 -0.087 0.000 0.821 375 E CB 0.004 29.700 29.700 -0.007 0.000 0.750 375 E HN 0.289 nan 8.360 nan 0.000 0.477 376 R N 1.018 121.498 120.500 -0.033 0.000 2.204 376 R HA 0.171 4.512 4.340 0.001 0.000 0.341 376 R C -1.165 175.163 176.300 0.047 0.000 1.035 376 R CA -0.643 55.496 56.100 0.065 0.000 0.887 376 R CB 0.379 30.704 30.300 0.042 0.000 1.114 376 R HN 0.111 nan 8.270 nan 0.000 0.473 377 W N 2.035 123.378 121.300 0.071 0.000 2.158 377 W HA 0.037 4.698 4.660 0.001 0.000 0.339 377 W C 0.629 177.172 176.519 0.041 0.000 1.294 377 W CA 0.243 57.648 57.345 0.100 0.000 1.231 377 W CB 0.395 30.023 29.460 0.280 0.000 1.143 377 W HN 0.338 nan 8.180 nan 0.000 0.571 378 D N 3.366 123.860 120.400 0.157 0.000 2.454 378 D HA 0.266 4.906 4.640 0.001 0.000 0.247 378 D C -1.811 174.483 176.300 -0.010 0.000 1.129 378 D CA -2.335 51.694 54.000 0.048 0.000 0.877 378 D CB 1.871 42.664 40.800 -0.011 0.000 1.082 378 D HN -0.059 nan 8.370 nan 0.000 0.537 379 P HA -0.104 nan 4.420 nan 0.000 0.218 379 P C 1.562 178.826 177.300 -0.060 0.000 1.149 379 P CA 0.443 63.523 63.100 -0.033 0.000 0.817 379 P CB 0.592 32.300 31.700 0.012 0.000 0.785 380 V N -0.586 119.311 119.914 -0.028 0.000 2.379 380 V HA -0.184 3.937 4.120 0.001 0.000 0.245 380 V C 2.366 178.451 176.094 -0.015 0.000 1.044 380 V CA 1.289 63.579 62.300 -0.016 0.000 1.036 380 V CB -1.150 30.675 31.823 0.003 0.000 0.664 380 V HN 0.044 nan 8.190 nan 0.000 0.453 381 L N 0.024 121.234 121.223 -0.022 0.000 2.012 381 L HA -0.147 4.194 4.340 0.001 0.000 0.210 381 L C 2.167 179.009 176.870 -0.046 0.000 1.073 381 L CA 1.946 56.800 54.840 0.023 0.000 0.748 381 L CB -0.520 41.533 42.059 -0.008 0.000 0.891 381 L HN 0.217 nan 8.230 nan 0.000 0.431 382 I N -1.467 118.931 120.570 -0.288 0.000 2.226 382 I HA -0.317 3.854 4.170 0.001 0.000 0.245 382 I C 2.675 178.655 176.117 -0.227 0.000 1.100 382 I CA 1.487 62.457 61.300 -0.551 0.000 1.374 382 I CB -0.485 37.026 38.000 -0.815 0.000 1.057 382 I HN 0.343 nan 8.210 nan 0.000 0.413 383 S N 0.594 116.213 115.700 -0.135 0.000 2.370 383 S HA -0.215 4.256 4.470 0.001 0.000 0.226 383 S C 2.200 176.771 174.600 -0.048 0.000 1.033 383 S CA 1.524 59.680 58.200 -0.073 0.000 1.011 383 S CB -0.215 62.954 63.200 -0.050 0.000 0.852 383 S HN 0.476 nan 8.310 nan 0.000 0.457 384 A N -0.160 122.657 122.820 -0.005 0.000 1.930 384 A HA -0.008 4.312 4.320 0.001 0.000 0.217 384 A C 1.999 179.542 177.584 -0.069 0.000 1.175 384 A CA 1.510 53.566 52.037 0.031 0.000 0.627 384 A CB -1.145 17.959 19.000 0.173 0.000 0.815 384 A HN 0.755 nan 8.150 nan 0.000 0.443 385 Y N 1.359 121.452 120.300 -0.344 0.000 2.145 385 Y HA -0.251 4.299 4.550 0.001 0.000 0.286 385 Y C 2.333 178.110 175.900 -0.205 0.000 1.145 385 Y CA 2.213 60.016 58.100 -0.495 0.000 1.148 385 Y CB -0.225 37.996 38.460 -0.398 0.000 0.981 385 Y HN 0.314 nan 8.280 nan 0.000 0.507 386 N N 0.573 119.283 118.700 0.017 0.000 2.104 386 N HA -0.227 4.514 4.740 0.001 0.000 0.190 386 N C 1.884 177.289 175.510 -0.174 0.000 1.024 386 N CA 1.697 54.724 53.050 -0.037 0.000 0.853 386 N CB -0.484 38.013 38.487 0.015 0.000 1.008 386 N HN 0.595 nan 8.380 nan 0.000 0.424 387 E N 0.926 121.008 120.200 -0.197 0.000 2.058 387 E HA -0.133 4.218 4.350 0.001 0.000 0.194 387 E C 1.980 178.353 176.600 -0.378 0.000 0.997 387 E CA 1.078 57.277 56.400 -0.335 0.000 0.801 387 E CB 0.106 29.631 29.700 -0.292 0.000 0.746 387 E HN 0.249 nan 8.360 nan 0.000 0.450 388 R N -0.597 119.777 120.500 -0.211 0.000 2.096 388 R HA -0.096 4.244 4.340 0.001 0.000 0.235 388 R C 2.374 178.643 176.300 -0.052 0.000 1.127 388 R CA 1.616 57.691 56.100 -0.042 0.000 0.968 388 R CB -0.109 30.160 30.300 -0.051 0.000 0.861 388 R HN 0.291 nan 8.270 nan 0.000 0.440 389 M N -0.344 119.104 119.600 -0.252 0.000 2.254 389 M HA 0.005 4.485 4.480 0.001 0.000 0.265 389 M C 2.320 178.537 176.300 -0.138 0.000 1.066 389 M CA 1.268 56.425 55.300 -0.238 0.000 1.123 389 M CB -0.782 31.603 32.600 -0.359 0.000 1.388 389 M HN 0.187 nan 8.290 nan 0.000 0.425 390 A N -0.663 122.077 122.820 -0.134 0.000 1.872 390 A HA -0.159 4.161 4.320 0.001 0.000 0.214 390 A C 1.931 179.547 177.584 0.053 0.000 1.187 390 A CA 1.437 53.427 52.037 -0.078 0.000 0.614 390 A CB -1.163 17.756 19.000 -0.135 0.000 0.826 390 A HN 0.551 nan 8.150 nan 0.000 0.442 391 H N -1.320 117.791 119.070 0.069 0.000 2.352 391 H HA -0.175 4.381 4.556 0.001 0.000 0.299 391 H C 2.195 177.666 175.328 0.238 0.000 1.097 391 H CA 1.592 57.778 56.048 0.229 0.000 1.311 391 H CB -0.161 29.743 29.762 0.236 0.000 1.377 391 H HN 0.548 nan 8.280 nan 0.000 0.504 392 M N 0.619 120.406 119.600 0.311 0.000 2.073 392 M HA -0.203 4.277 4.480 0.001 0.000 0.258 392 M C 1.969 178.357 176.300 0.147 0.000 1.070 392 M CA 1.784 57.233 55.300 0.248 0.000 1.103 392 M CB -0.059 32.614 32.600 0.121 0.000 1.321 392 M HN 0.130 nan 8.290 nan 0.000 0.405 393 V N 0.474 120.361 119.914 -0.044 0.000 2.453 393 V HA -0.215 3.906 4.120 0.001 0.000 0.247 393 V C 1.761 177.919 176.094 0.106 0.000 1.048 393 V CA 1.864 64.147 62.300 -0.028 0.000 1.049 393 V CB -0.950 30.809 31.823 -0.107 0.000 0.672 393 V HN 0.452 nan 8.190 nan 0.000 0.457 394 D N 0.936 121.344 120.400 0.014 0.000 2.144 394 D HA -0.081 4.560 4.640 0.001 0.000 0.200 394 D C 2.229 178.253 176.300 -0.461 0.000 0.978 394 D CA 1.520 55.430 54.000 -0.151 0.000 0.833 394 D CB -0.526 40.269 40.800 -0.010 0.000 0.961 394 D HN 0.436 nan 8.370 nan 0.000 0.470 395 G N 0.572 108.908 108.800 -0.774 0.000 2.421 395 G HA2 -0.208 3.753 3.960 0.001 0.000 0.216 395 G HA3 -0.208 3.753 3.960 0.001 0.000 0.216 395 G C 1.836 176.598 174.900 -0.231 0.000 1.171 395 G CA 0.747 45.153 45.100 -1.156 0.000 0.775 395 G HN 0.237 nan 8.290 nan 0.000 0.543 396 V N 1.027 121.050 119.914 0.181 0.000 2.343 396 V HA -0.171 3.950 4.120 0.001 0.000 0.247 396 V C 2.676 178.881 176.094 0.185 0.000 1.051 396 V CA 2.235 64.773 62.300 0.397 0.000 1.036 396 V CB -0.406 31.827 31.823 0.683 0.000 0.654 396 V HN 0.466 nan 8.190 nan 0.000 0.451 397 K N 0.271 120.713 120.400 0.070 0.000 2.020 397 K HA -0.267 4.053 4.320 0.001 0.000 0.212 397 K C 2.131 178.672 176.600 -0.098 0.000 1.050 397 K CA 2.198 58.434 56.287 -0.085 0.000 0.929 397 K CB -0.221 31.991 32.500 -0.480 0.000 0.714 397 K HN 0.567 nan 8.250 nan 0.000 0.443 398 E N -0.259 119.883 120.200 -0.097 0.000 2.058 398 E HA -0.218 4.133 4.350 0.001 0.000 0.194 398 E C 1.969 178.555 176.600 -0.024 0.000 0.997 398 E CA 1.376 57.779 56.400 0.004 0.000 0.801 398 E CB -0.294 29.490 29.700 0.140 0.000 0.746 398 E HN 0.310 nan 8.360 nan 0.000 0.450 399 F N 1.718 121.447 119.950 -0.368 0.000 2.126 399 F HA -0.197 4.331 4.527 0.001 0.000 0.299 399 F C 1.982 177.534 175.800 -0.415 0.000 1.096 399 F CA 1.318 58.844 58.000 -0.789 0.000 1.255 399 F CB -0.390 38.109 39.000 -0.835 0.000 0.997 399 F HN -0.066 nan 8.300 nan 0.000 0.479 400 L N -1.016 119.990 121.223 -0.361 0.000 2.056 400 L HA -0.197 4.143 4.340 0.001 0.000 0.207 400 L C 2.404 179.188 176.870 -0.144 0.000 1.078 400 L CA 0.984 55.531 54.840 -0.488 0.000 0.749 400 L CB -0.910 41.002 42.059 -0.245 0.000 0.901 400 L HN -0.031 nan 8.230 nan 0.000 0.433 401 V N 0.128 120.035 119.914 -0.012 0.000 2.392 401 V HA -0.296 3.825 4.120 0.001 0.000 0.249 401 V C 2.441 178.574 176.094 0.065 0.000 1.059 401 V CA 1.521 63.880 62.300 0.099 0.000 1.051 401 V CB -0.443 31.409 31.823 0.048 0.000 0.658 401 V HN 0.331 nan 8.190 nan 0.000 0.455 402 L N -0.162 121.034 121.223 -0.044 0.000 2.127 402 L HA -0.197 4.143 4.340 0.001 0.000 0.211 402 L C 2.299 179.054 176.870 -0.192 0.000 1.089 402 L CA 2.045 56.822 54.840 -0.106 0.000 0.757 402 L CB -0.857 41.089 42.059 -0.189 0.000 0.899 402 L HN 0.411 nan 8.230 nan 0.000 0.434 403 H N -2.026 116.751 119.070 -0.488 0.000 2.321 403 H HA -0.147 4.409 4.556 0.001 0.000 0.300 403 H C 1.904 177.031 175.328 -0.336 0.000 1.087 403 H CA 2.382 58.038 56.048 -0.653 0.000 1.319 403 H CB -0.656 28.509 29.762 -0.995 0.000 1.379 403 H HN 0.369 nan 8.280 nan 0.000 0.501 404 Y N 0.784 121.196 120.300 0.188 0.000 2.293 404 Y HA -0.105 4.445 4.550 0.001 0.000 0.291 404 Y C 2.190 178.220 175.900 0.217 0.000 1.137 404 Y CA 0.868 59.156 58.100 0.314 0.000 1.202 404 Y CB 0.079 38.660 38.460 0.202 0.000 0.990 404 Y HN 0.031 nan 8.280 nan 0.000 0.537 405 K N -0.637 119.889 120.400 0.210 0.000 2.228 405 K HA 0.050 4.371 4.320 0.001 0.000 0.202 405 K C 2.264 178.907 176.600 0.071 0.000 1.051 405 K CA 0.987 57.351 56.287 0.128 0.000 0.960 405 K CB -0.674 31.870 32.500 0.073 0.000 0.743 405 K HN 0.400 nan 8.250 nan 0.000 0.458 406 G N 1.298 110.098 108.800 0.000 0.000 2.430 406 G HA2 -0.017 3.943 3.960 0.001 0.000 0.216 406 G HA3 -0.017 3.943 3.960 0.001 0.000 0.216 406 G C 0.560 175.454 174.900 -0.011 0.000 1.146 406 G CA 0.424 45.485 45.100 -0.065 0.000 0.793 406 G HN 0.325 nan 8.290 nan 0.000 0.537 407 A N 0.467 123.339 122.820 0.086 0.000 2.566 407 A HA 0.304 4.625 4.320 0.001 0.000 0.245 407 A C 1.334 178.969 177.584 0.085 0.000 1.056 407 A CA 0.195 52.323 52.037 0.151 0.000 0.757 407 A CB 0.345 19.557 19.000 0.354 0.000 0.979 407 A HN 0.321 nan 8.150 nan 0.000 0.508 408 Q N 1.238 121.050 119.800 0.020 0.000 2.396 408 Q HA -0.014 4.327 4.340 0.001 0.000 0.209 408 Q C 0.691 176.681 176.000 -0.016 0.000 0.906 408 Q CA 0.389 56.197 55.803 0.010 0.000 0.927 408 Q CB -0.020 28.718 28.738 -0.000 0.000 1.069 408 Q HN 0.925 nan 8.270 nan 0.000 0.523 409 R N 1.050 121.482 120.500 -0.113 0.000 2.590 409 R HA 0.137 4.478 4.340 0.001 0.000 0.274 409 R C -0.108 176.182 176.300 -0.016 0.000 1.061 409 R CA 0.421 56.423 56.100 -0.164 0.000 1.081 409 R CB 0.389 30.433 30.300 -0.427 0.000 0.984 409 R HN -0.074 nan 8.270 nan 0.000 0.448 410 E N 1.096 121.328 120.200 0.053 0.000 3.029 410 E HA -0.022 4.329 4.350 0.001 0.000 0.196 410 E C -0.409 176.281 176.600 0.151 0.000 0.973 410 E CA -0.098 56.395 56.400 0.154 0.000 1.242 410 E CB 0.626 30.392 29.700 0.109 0.000 1.056 410 E HN 0.794 nan 8.360 nan 0.000 0.469 411 D N 0.394 120.875 120.400 0.136 0.000 2.323 411 D HA -0.080 4.561 4.640 0.001 0.000 0.209 411 D C 1.020 177.418 176.300 0.164 0.000 0.973 411 D CA 0.684 54.753 54.000 0.115 0.000 0.874 411 D CB 0.152 40.988 40.800 0.060 0.000 0.930 411 D HN 0.117 nan 8.370 nan 0.000 0.521 412 T N -4.085 110.625 114.554 0.259 0.000 2.907 412 T HA 0.444 4.795 4.350 0.001 0.000 0.290 412 T C -2.330 172.493 174.700 0.205 0.000 1.066 412 T CA -1.756 60.484 62.100 0.235 0.000 1.012 412 T CB 2.368 71.403 68.868 0.278 0.000 1.184 412 T HN -0.407 nan 8.240 nan 0.000 0.522 413 P HA -0.071 nan 4.420 nan 0.000 0.216 413 P C 1.073 178.354 177.300 -0.031 0.000 1.150 413 P CA 0.891 64.117 63.100 0.211 0.000 0.837 413 P CB -0.190 31.736 31.700 0.376 0.000 0.786 414 Y N -1.247 118.741 120.300 -0.520 0.000 2.128 414 Y HA -0.213 4.338 4.550 0.001 0.000 0.284 414 Y C 2.013 177.451 175.900 -0.770 0.000 1.154 414 Y CA 1.663 58.999 58.100 -1.273 0.000 1.149 414 Y CB -0.897 36.901 38.460 -1.105 0.000 0.976 414 Y HN -0.082 nan 8.280 nan 0.000 0.505 415 W N 0.587 121.887 121.300 0.001 0.000 2.436 415 W HA -0.040 4.621 4.660 0.001 0.000 0.284 415 W C 2.323 178.825 176.519 -0.029 0.000 1.225 415 W CA 0.990 58.351 57.345 0.027 0.000 1.271 415 W CB -0.083 29.445 29.460 0.113 0.000 1.114 415 W HN -0.097 nan 8.180 nan 0.000 0.559 416 K N 0.200 120.690 120.400 0.151 0.000 2.057 416 K HA -0.110 4.211 4.320 0.001 0.000 0.206 416 K C 2.279 178.895 176.600 0.026 0.000 1.050 416 K CA 1.456 57.803 56.287 0.100 0.000 0.935 416 K CB -0.551 32.012 32.500 0.105 0.000 0.715 416 K HN 0.089 nan 8.250 nan 0.000 0.439 417 A N 1.481 124.261 122.820 -0.066 0.000 1.972 417 A HA -0.092 4.229 4.320 0.001 0.000 0.219 417 A C 2.345 179.836 177.584 -0.154 0.000 1.169 417 A CA 1.699 53.688 52.037 -0.080 0.000 0.635 417 A CB -0.617 18.365 19.000 -0.031 0.000 0.810 417 A HN 0.330 nan 8.150 nan 0.000 0.446 418 A N -0.021 122.637 122.820 -0.270 0.000 1.940 418 A HA -0.168 4.152 4.320 0.001 0.000 0.219 418 A C 2.091 179.682 177.584 0.012 0.000 1.176 418 A CA 1.753 53.679 52.037 -0.185 0.000 0.631 418 A CB -0.359 18.561 19.000 -0.132 0.000 0.814 418 A HN 0.388 nan 8.150 nan 0.000 0.446 419 K N -0.448 119.990 120.400 0.063 0.000 2.063 419 K HA -0.126 4.195 4.320 0.001 0.000 0.208 419 K C 1.932 178.561 176.600 0.049 0.000 1.048 419 K CA 1.946 58.281 56.287 0.081 0.000 0.928 419 K CB -0.720 31.833 32.500 0.088 0.000 0.713 419 K HN 0.737 nan 8.250 nan 0.000 0.442 420 T N -2.175 112.397 114.554 0.030 0.000 3.069 420 T HA 0.115 4.465 4.350 0.001 0.000 0.252 420 T C 0.876 175.586 174.700 0.016 0.000 1.053 420 T CA -0.419 61.697 62.100 0.026 0.000 0.964 420 T CB 0.316 69.202 68.868 0.030 0.000 1.005 420 T HN 0.026 nan 8.240 nan 0.000 0.532 421 R N 1.550 122.049 120.500 -0.001 0.000 2.698 421 R HA 0.466 4.806 4.340 0.001 0.000 0.266 421 R C 0.521 176.825 176.300 0.007 0.000 1.026 421 R CA 0.124 56.219 56.100 -0.008 0.000 1.102 421 R CB 0.019 30.291 30.300 -0.046 0.000 0.978 421 R HN 0.400 nan 8.270 nan 0.000 0.436 422 A N 4.755 127.581 122.820 0.010 0.000 2.547 422 A HA 0.203 4.524 4.320 0.001 0.000 0.233 422 A C 0.244 177.837 177.584 0.014 0.000 1.067 422 A CA 0.595 52.641 52.037 0.015 0.000 0.763 422 A CB 0.065 19.076 19.000 0.017 0.000 1.007 422 A HN 0.804 nan 8.150 nan 0.000 0.506 423 M N 0.268 119.879 119.600 0.017 0.000 2.575 423 M HA 0.671 5.151 4.480 0.001 0.000 0.284 423 M C -2.977 173.330 176.300 0.012 0.000 1.253 423 M CA -2.025 53.284 55.300 0.016 0.000 0.861 423 M CB 1.141 33.758 32.600 0.028 0.000 1.733 423 M HN 0.272 nan 8.290 nan 0.000 0.462 424 P HA 0.107 nan 4.420 nan 0.000 0.267 424 P C -0.201 177.117 177.300 0.029 0.000 1.201 424 P CA -0.056 63.044 63.100 0.000 0.000 0.775 424 P CB 0.458 32.147 31.700 -0.017 0.000 0.854 425 D N 1.548 121.968 120.400 0.034 0.000 2.104 425 D HA -0.121 4.519 4.640 0.001 0.000 0.194 425 D C 2.045 178.375 176.300 0.049 0.000 0.994 425 D CA 1.996 56.020 54.000 0.040 0.000 0.830 425 D CB -0.605 40.221 40.800 0.043 0.000 0.959 425 D HN 0.581 nan 8.370 nan 0.000 0.452 426 G N 0.234 109.076 108.800 0.070 0.000 2.534 426 G HA2 -0.153 3.807 3.960 0.001 0.000 0.217 426 G HA3 -0.153 3.807 3.960 0.001 0.000 0.217 426 G C 1.511 176.455 174.900 0.074 0.000 1.128 426 G CA 0.008 45.151 45.100 0.073 0.000 0.784 426 G HN 0.189 nan 8.290 nan 0.000 0.542 427 L N 0.910 122.183 121.223 0.083 0.000 2.313 427 L HA 0.356 4.696 4.340 0.001 0.000 0.214 427 L C 2.886 179.794 176.870 0.062 0.000 1.119 427 L CA 1.211 56.109 54.840 0.097 0.000 0.809 427 L CB -0.398 41.718 42.059 0.096 0.000 0.933 427 L HN 0.200 nan 8.230 nan 0.000 0.449 428 A N -0.232 122.614 122.820 0.042 0.000 1.858 428 A HA -0.266 4.055 4.320 0.001 0.000 0.216 428 A C 2.423 180.015 177.584 0.014 0.000 1.190 428 A CA 1.778 53.831 52.037 0.026 0.000 0.617 428 A CB -0.557 18.456 19.000 0.022 0.000 0.827 428 A HN 0.404 nan 8.150 nan 0.000 0.443 429 R N 0.391 120.897 120.500 0.010 0.000 2.083 429 R HA -0.135 4.205 4.340 0.001 0.000 0.237 429 R C 1.994 178.283 176.300 -0.018 0.000 1.137 429 R CA 2.301 58.397 56.100 -0.006 0.000 0.951 429 R CB -0.460 29.833 30.300 -0.012 0.000 0.851 429 R HN 0.598 nan 8.270 nan 0.000 0.434 430 K N -0.142 120.257 120.400 -0.001 0.000 2.097 430 K HA -0.093 4.227 4.320 0.001 0.000 0.206 430 K C 2.127 178.723 176.600 -0.006 0.000 1.049 430 K CA 1.556 57.842 56.287 -0.003 0.000 0.933 430 K CB -0.201 32.338 32.500 0.065 0.000 0.717 430 K HN 0.212 nan 8.250 nan 0.000 0.442 431 L N 0.990 122.220 121.223 0.010 0.000 2.093 431 L HA -0.148 4.193 4.340 0.001 0.000 0.208 431 L C 2.661 179.515 176.870 -0.027 0.000 1.085 431 L CA 1.087 55.925 54.840 -0.003 0.000 0.755 431 L CB -0.321 41.744 42.059 0.011 0.000 0.904 431 L HN 0.286 nan 8.230 nan 0.000 0.435 432 E N 0.705 120.890 120.200 -0.024 0.000 2.038 432 E HA -0.249 4.102 4.350 0.001 0.000 0.195 432 E C 2.362 178.922 176.600 -0.066 0.000 1.000 432 E CA 1.345 57.727 56.400 -0.030 0.000 0.803 432 E CB -0.059 29.631 29.700 -0.016 0.000 0.750 432 E HN 0.436 nan 8.360 nan 0.000 0.448 433 L N 0.472 121.632 121.223 -0.105 0.000 2.083 433 L HA -0.162 4.179 4.340 0.001 0.000 0.209 433 L C 2.606 179.283 176.870 -0.323 0.000 1.083 433 L CA 1.090 55.785 54.840 -0.241 0.000 0.752 433 L CB -0.199 41.698 42.059 -0.271 0.000 0.899 433 L HN 0.099 nan 8.230 nan 0.000 0.433 434 S N -0.368 115.220 115.700 -0.188 0.000 2.453 434 S HA -0.042 4.429 4.470 0.001 0.000 0.231 434 S C 2.061 176.599 174.600 -0.105 0.000 1.005 434 S CA 0.853 58.963 58.200 -0.150 0.000 0.949 434 S CB -0.068 63.081 63.200 -0.085 0.000 0.774 434 S HN 0.479 nan 8.310 nan 0.000 0.510 435 A N 0.710 123.483 122.820 -0.080 0.000 2.014 435 A HA 0.018 4.339 4.320 0.001 0.000 0.218 435 A C 2.189 179.758 177.584 -0.026 0.000 1.163 435 A CA 1.594 53.605 52.037 -0.044 0.000 0.652 435 A CB -0.470 18.514 19.000 -0.028 0.000 0.808 435 A HN 0.470 nan 8.150 nan 0.000 0.449 436 S N -1.176 114.504 115.700 -0.033 0.000 2.452 436 S HA 0.118 4.588 4.470 0.001 0.000 0.225 436 S C 0.671 175.353 174.600 0.137 0.000 1.057 436 S CA 0.701 58.942 58.200 0.067 0.000 0.949 436 S CB -0.104 63.196 63.200 0.166 0.000 0.836 436 S HN 0.827 nan 8.310 nan 0.000 0.518 437 H N -1.259 117.802 119.070 -0.014 0.000 2.967 437 H HA 0.377 4.934 4.556 0.001 0.000 0.318 437 H C -1.253 174.068 175.328 -0.012 0.000 1.375 437 H CA -0.983 55.058 56.048 -0.011 0.000 1.132 437 H CB -0.032 29.726 29.762 -0.006 0.000 1.848 437 H HN 0.185 nan 8.280 nan 0.000 0.524 438 L N 1.707 122.976 121.223 0.077 0.000 2.456 438 L HA 0.148 4.489 4.340 0.001 0.000 0.272 438 L C 0.793 177.653 176.870 -0.015 0.000 1.189 438 L CA -0.524 54.318 54.840 0.003 0.000 0.846 438 L CB 0.266 42.350 42.059 0.043 0.000 1.111 438 L HN 0.302 nan 8.230 nan 0.000 0.475 439 L N 2.307 123.497 121.223 -0.056 0.000 2.483 439 L HA 0.049 4.389 4.340 0.001 0.000 0.275 439 L C -0.036 176.823 176.870 -0.018 0.000 1.220 439 L CA 0.246 55.050 54.840 -0.060 0.000 0.833 439 L CB 0.392 42.415 42.059 -0.060 0.000 1.102 439 L HN 0.747 nan 8.230 nan 0.000 0.490 440 D N -1.055 119.318 120.400 -0.046 0.000 2.798 440 D HA 0.173 4.813 4.640 0.001 0.000 0.308 440 D C 0.342 176.587 176.300 -0.091 0.000 1.187 440 D CA -0.653 53.325 54.000 -0.036 0.000 1.033 440 D CB 0.546 41.342 40.800 -0.005 0.000 1.445 440 D HN 0.329 nan 8.370 nan 0.000 0.550 441 E N -1.026 119.135 120.200 -0.065 0.000 2.171 441 E HA -0.175 4.175 4.350 0.001 0.000 0.197 441 E C 1.535 178.061 176.600 -0.123 0.000 0.997 441 E CA 1.599 57.949 56.400 -0.082 0.000 0.810 441 E CB -0.048 29.626 29.700 -0.044 0.000 0.738 441 E HN 0.326 nan 8.360 nan 0.000 0.467 442 Q N -0.989 118.745 119.800 -0.110 0.000 2.424 442 Q HA 0.052 4.393 4.340 0.001 0.000 0.204 442 Q C 1.499 177.408 176.000 -0.152 0.000 0.933 442 Q CA 1.381 57.110 55.803 -0.124 0.000 0.929 442 Q CB 0.593 29.278 28.738 -0.089 0.000 1.037 442 Q HN 0.475 nan 8.270 nan 0.000 0.511 443 T N -3.110 111.344 114.554 -0.166 0.000 3.003 443 T HA 0.268 4.618 4.350 0.001 0.000 0.261 443 T C 1.174 175.694 174.700 -0.299 0.000 1.003 443 T CA -0.360 61.629 62.100 -0.185 0.000 0.917 443 T CB -0.202 68.594 68.868 -0.120 0.000 1.084 443 T HN 0.208 nan 8.240 nan 0.000 0.522 444 I N -1.125 119.188 120.570 -0.429 0.000 3.378 444 I HA 0.481 4.652 4.170 0.001 0.000 0.284 444 I C 0.552 176.290 176.117 -0.630 0.000 1.157 444 I CA -1.475 59.331 61.300 -0.823 0.000 1.193 444 I CB 0.193 37.474 38.000 -1.197 0.000 1.461 444 I HN -0.017 nan 8.210 nan 0.000 0.674 445 Y N 3.923 123.679 120.300 -0.906 0.000 2.802 445 Y HA 0.099 4.650 4.550 0.001 0.000 0.333 445 Y C -1.619 174.110 175.900 -0.285 0.000 1.244 445 Y CA -1.216 56.608 58.100 -0.461 0.000 1.558 445 Y CB 0.396 38.581 38.460 -0.460 0.000 1.233 445 Y HN 0.426 nan 8.280 nan 0.000 0.547 446 P HA -0.046 nan 4.420 nan 0.000 0.240 446 P C -0.922 175.996 177.300 -0.637 0.000 1.190 446 P CA 0.953 63.688 63.100 -0.609 0.000 0.781 446 P CB 0.292 31.533 31.700 -0.765 0.000 0.931 447 Y N -1.310 118.834 120.300 -0.259 0.000 2.534 447 Y HA 0.355 4.906 4.550 0.001 0.000 0.329 447 Y C 0.651 176.796 175.900 0.410 0.000 1.154 447 Y CA -1.398 56.708 58.100 0.010 0.000 1.192 447 Y CB 0.093 38.371 38.460 -0.303 0.000 1.275 447 Y HN -0.236 nan 8.280 nan 0.000 0.491 448 Y N 4.034 124.595 120.300 0.436 0.000 2.650 448 Y HA 0.029 4.580 4.550 0.001 0.000 0.331 448 Y C 0.914 177.098 175.900 0.474 0.000 1.165 448 Y CA 0.122 58.423 58.100 0.335 0.000 1.473 448 Y CB 0.048 38.640 38.460 0.220 0.000 1.224 448 Y HN 0.647 nan 8.280 nan 0.000 0.533 449 H N 3.536 122.506 119.070 -0.166 0.000 3.007 449 H HA 0.294 4.851 4.556 0.001 0.000 0.251 449 H C 1.135 176.379 175.328 -0.140 0.000 1.188 449 H CA 0.089 56.151 56.048 0.024 0.000 1.017 449 H CB 0.075 29.977 29.762 0.234 0.000 1.805 449 H HN 0.888 nan 8.280 nan 0.000 0.659 450 G N 0.797 108.912 108.800 -1.143 0.000 2.199 450 G HA2 -0.266 3.695 3.960 0.001 0.000 0.254 450 G HA3 -0.266 3.695 3.960 0.001 0.000 0.254 450 G C -0.356 173.774 174.900 -1.284 0.000 0.982 450 G CA 0.313 44.651 45.100 -1.271 0.000 0.632 450 G HN 0.345 nan 8.290 nan 0.000 0.529 451 F N 0.935 120.391 119.950 -0.824 0.000 2.551 451 F HA 0.664 5.192 4.527 0.001 0.000 0.316 451 F C 0.456 175.989 175.800 -0.446 0.000 1.089 451 F CA -0.960 56.673 58.000 -0.611 0.000 0.915 451 F CB 1.677 40.307 39.000 -0.616 0.000 1.186 451 F HN 0.066 nan 8.300 nan 0.000 0.456 452 E N 0.166 120.292 120.200 -0.123 0.000 2.284 452 E HA 0.302 4.653 4.350 0.001 0.000 0.255 452 E C 0.510 177.123 176.600 0.022 0.000 1.052 452 E CA -0.617 55.762 56.400 -0.035 0.000 0.904 452 E CB 1.058 30.791 29.700 0.055 0.000 1.217 452 E HN 0.584 nan 8.360 nan 0.000 0.438 453 T N 0.238 114.823 114.554 0.052 0.000 2.653 453 T HA -0.278 4.072 4.350 0.001 0.000 0.268 453 T C 1.841 176.645 174.700 0.174 0.000 1.035 453 T CA 2.209 64.354 62.100 0.075 0.000 1.154 453 T CB -0.548 68.364 68.868 0.073 0.000 0.862 453 T HN 0.587 nan 8.240 nan 0.000 0.441 454 Y N 1.611 122.017 120.300 0.176 0.000 2.256 454 Y HA -0.095 4.455 4.550 0.001 0.000 0.288 454 Y C 2.430 178.466 175.900 0.228 0.000 1.155 454 Y CA 1.072 59.310 58.100 0.230 0.000 1.203 454 Y CB -0.969 37.659 38.460 0.279 0.000 0.980 454 Y HN 0.064 nan 8.280 nan 0.000 0.530 455 S N -0.034 115.475 115.700 -0.318 0.000 2.368 455 S HA -0.149 4.322 4.470 0.001 0.000 0.224 455 S C 1.466 175.944 174.600 -0.204 0.000 1.029 455 S CA 1.388 59.411 58.200 -0.296 0.000 0.988 455 S CB -0.591 62.438 63.200 -0.284 0.000 0.838 455 S HN 0.684 nan 8.310 nan 0.000 0.462 456 W N 1.801 122.942 121.300 -0.266 0.000 2.379 456 W HA 0.091 4.752 4.660 0.002 0.000 0.307 456 W C 2.052 178.494 176.519 -0.128 0.000 1.200 456 W CA 0.209 57.479 57.345 -0.126 0.000 1.297 456 W CB -0.791 28.593 29.460 -0.126 0.000 1.140 456 W HN 0.212 nan 8.180 nan 0.000 0.507 457 I N -0.407 120.235 120.570 0.121 0.000 2.163 457 I HA -0.361 3.809 4.170 0.001 0.000 0.243 457 I C 2.247 178.244 176.117 -0.201 0.000 1.085 457 I CA 1.798 63.081 61.300 -0.028 0.000 1.347 457 I CB -1.056 36.963 38.000 0.031 0.000 1.044 457 I HN -0.065 nan 8.210 nan 0.000 0.408 458 T N 0.586 115.096 114.554 -0.073 0.000 2.746 458 T HA -0.142 4.209 4.350 0.001 0.000 0.267 458 T C 1.913 176.411 174.700 -0.337 0.000 1.039 458 T CA 1.236 63.310 62.100 -0.045 0.000 1.142 458 T CB -0.067 68.989 68.868 0.313 0.000 0.866 458 T HN 0.141 nan 8.240 nan 0.000 0.444 459 M N 1.513 120.860 119.600 -0.421 0.000 2.099 459 M HA 0.008 4.489 4.480 0.001 0.000 0.262 459 M C 2.094 178.034 176.300 -0.599 0.000 1.067 459 M CA 1.161 56.069 55.300 -0.653 0.000 1.124 459 M CB -1.519 30.492 32.600 -0.983 0.000 1.353 459 M HN 0.143 nan 8.290 nan 0.000 0.410 460 N N 0.890 119.333 118.700 -0.428 0.000 2.018 460 N HA -0.111 4.630 4.740 0.001 0.000 0.196 460 N C 1.925 177.193 175.510 -0.403 0.000 1.043 460 N CA 1.331 54.175 53.050 -0.344 0.000 0.856 460 N CB -0.621 37.740 38.487 -0.210 0.000 1.042 460 N HN 0.326 nan 8.380 nan 0.000 0.423 461 L N 0.013 120.935 121.223 -0.501 0.000 2.046 461 L HA -0.076 4.265 4.340 0.001 0.000 0.208 461 L C 2.409 178.905 176.870 -0.623 0.000 1.077 461 L CA 1.348 55.853 54.840 -0.558 0.000 0.747 461 L CB -0.965 40.537 42.059 -0.928 0.000 0.896 461 L HN 0.253 nan 8.230 nan 0.000 0.432 462 G N 0.182 108.411 108.800 -0.951 0.000 2.421 462 G HA2 -0.217 3.744 3.960 0.001 0.000 0.216 462 G HA3 -0.217 3.744 3.960 0.001 0.000 0.216 462 G C 1.619 175.916 174.900 -1.004 0.000 1.171 462 G CA 0.611 44.685 45.100 -1.710 0.000 0.775 462 G HN 0.234 nan 8.290 nan 0.000 0.543 463 L N -0.388 120.447 121.223 -0.648 0.000 2.131 463 L HA 0.268 4.608 4.340 0.001 0.000 0.206 463 L C 2.122 178.886 176.870 -0.176 0.000 1.087 463 L CA 0.959 55.641 54.840 -0.262 0.000 0.767 463 L CB 0.042 41.932 42.059 -0.283 0.000 0.917 463 L HN 0.452 nan 8.230 nan 0.000 0.441 464 G N -0.327 108.343 108.800 -0.217 0.000 2.200 464 G HA2 -0.133 3.827 3.960 0.001 0.000 0.145 464 G HA3 -0.133 3.827 3.960 0.001 0.000 0.145 464 G C 0.091 174.927 174.900 -0.107 0.000 1.021 464 G CA -0.700 44.322 45.100 -0.129 0.000 0.720 464 G HN 0.129 nan 8.290 nan 0.000 0.494 465 I N 2.267 122.754 120.570 -0.139 0.000 2.293 465 I HA 0.326 4.497 4.170 0.001 0.000 0.299 465 I C 0.252 176.304 176.117 -0.107 0.000 1.153 465 I CA -0.326 60.910 61.300 -0.106 0.000 1.302 465 I CB 0.654 38.590 38.000 -0.106 0.000 1.460 465 I HN -0.127 nan 8.210 nan 0.000 0.552 466 V N 7.548 127.418 119.914 -0.072 0.000 2.581 466 V HA 0.409 4.529 4.120 0.001 0.000 0.303 466 V C -2.078 173.995 176.094 -0.036 0.000 1.041 466 V CA -1.906 60.364 62.300 -0.050 0.000 0.907 466 V CB 1.728 33.540 31.823 -0.018 0.000 0.994 466 V HN 0.470 nan 8.190 nan 0.000 0.442 467 P HA 0.148 nan 4.420 nan 0.000 0.269 467 P C 0.584 177.876 177.300 -0.013 0.000 1.215 467 P CA -0.127 62.965 63.100 -0.013 0.000 0.780 467 P CB 0.853 32.560 31.700 0.011 0.000 0.898 468 E N 1.684 121.879 120.200 -0.009 0.000 2.118 468 E HA -0.143 4.208 4.350 0.001 0.000 0.195 468 E C 0.252 176.839 176.600 -0.022 0.000 0.992 468 E CA 1.618 58.009 56.400 -0.015 0.000 0.804 468 E CB 0.190 29.885 29.700 -0.009 0.000 0.741 468 E HN 0.322 nan 8.360 nan 0.000 0.458 469 R N -0.974 119.515 120.500 -0.018 0.000 2.817 469 R HA 0.381 4.722 4.340 0.001 0.000 0.268 469 R C -2.480 173.803 176.300 -0.029 0.000 1.027 469 R CA -1.954 54.127 56.100 -0.031 0.000 0.928 469 R CB 1.601 31.884 30.300 -0.029 0.000 1.228 469 R HN -0.015 nan 8.270 nan 0.000 0.469 470 P HA 0.094 nan 4.420 nan 0.000 0.274 470 P C -0.920 176.341 177.300 -0.066 0.000 1.256 470 P CA -0.423 62.640 63.100 -0.061 0.000 0.795 470 P CB 0.597 32.242 31.700 -0.091 0.000 1.038 471 R N 1.580 122.026 120.500 -0.089 0.000 2.502 471 R HA 0.015 4.356 4.340 0.001 0.000 0.292 471 R C -1.364 174.864 176.300 -0.120 0.000 0.998 471 R CA -0.768 55.278 56.100 -0.090 0.000 1.056 471 R CB -0.196 30.043 30.300 -0.102 0.000 0.939 471 R HN 0.353 nan 8.270 nan 0.000 0.411 472 P HA -0.128 nan 4.420 nan 0.000 0.220 472 P C 0.585 177.897 177.300 0.021 0.000 1.148 472 P CA 1.151 64.238 63.100 -0.021 0.000 0.803 472 P CB 0.206 31.915 31.700 0.016 0.000 0.782 473 A N -0.187 122.615 122.820 -0.030 0.000 1.940 473 A HA -0.189 4.131 4.320 0.001 0.000 0.219 473 A C 2.106 179.620 177.584 -0.116 0.000 1.176 473 A CA 1.428 53.453 52.037 -0.020 0.000 0.631 473 A CB -1.632 17.362 19.000 -0.009 0.000 0.814 473 A HN 0.161 nan 8.150 nan 0.000 0.446 474 L N -0.565 120.447 121.223 -0.350 0.000 2.191 474 L HA -0.136 4.205 4.340 0.001 0.000 0.212 474 L C 2.181 178.978 176.870 -0.122 0.000 1.103 474 L CA 0.640 55.230 54.840 -0.417 0.000 0.769 474 L CB -0.550 41.121 42.059 -0.647 0.000 0.908 474 L HN 0.387 nan 8.230 nan 0.000 0.438 475 L N -0.913 120.251 121.223 -0.100 0.000 2.362 475 L HA -0.169 4.171 4.340 0.001 0.000 0.219 475 L C 2.024 178.797 176.870 -0.162 0.000 1.134 475 L CA 0.783 55.549 54.840 -0.123 0.000 0.807 475 L CB -0.693 41.257 42.059 -0.183 0.000 0.927 475 L HN 0.433 nan 8.230 nan 0.000 0.447 476 H N -1.105 117.943 119.070 -0.038 0.000 2.551 476 H HA 0.295 4.851 4.556 0.001 0.000 0.271 476 H C 0.484 175.824 175.328 0.020 0.000 0.984 476 H CA 0.133 56.176 56.048 -0.009 0.000 1.164 476 H CB 0.488 30.243 29.762 -0.011 0.000 1.437 476 H HN 0.308 nan 8.280 nan 0.000 0.550 477 M N 0.500 120.181 119.600 0.134 0.000 2.598 477 M HA 0.136 4.617 4.480 0.001 0.000 0.317 477 M C -0.411 175.993 176.300 0.173 0.000 1.179 477 M CA -1.048 54.353 55.300 0.170 0.000 0.936 477 M CB 2.279 35.011 32.600 0.220 0.000 1.713 477 M HN -0.146 nan 8.290 nan 0.000 0.460 478 D N 3.311 123.797 120.400 0.144 0.000 2.371 478 D HA 0.128 4.769 4.640 0.001 0.000 0.256 478 D C -1.647 174.679 176.300 0.043 0.000 1.193 478 D CA -1.491 52.554 54.000 0.076 0.000 0.881 478 D CB 0.937 41.763 40.800 0.044 0.000 1.143 478 D HN 0.266 nan 8.370 nan 0.000 0.473 479 P HA 0.077 nan 4.420 nan 0.000 0.249 479 P C 0.843 178.018 177.300 -0.208 0.000 1.229 479 P CA 0.098 63.134 63.100 -0.106 0.000 0.788 479 P CB 0.363 32.075 31.700 0.020 0.000 1.072 480 A N 1.858 124.599 122.820 -0.132 0.000 1.877 480 A HA -0.080 4.240 4.320 0.001 0.000 0.216 480 A C -0.044 177.438 177.584 -0.171 0.000 1.186 480 A CA 1.630 53.597 52.037 -0.116 0.000 0.620 480 A CB -2.087 16.873 19.000 -0.068 0.000 0.822 480 A HN 0.202 nan 8.150 nan 0.000 0.443 481 P HA -0.155 nan 4.420 nan 0.000 0.215 481 P C 1.745 178.822 177.300 -0.371 0.000 1.157 481 P CA 2.095 65.052 63.100 -0.238 0.000 0.874 481 P CB -0.172 31.408 31.700 -0.199 0.000 0.790 482 A N -0.612 121.813 122.820 -0.658 0.000 1.873 482 A HA -0.148 4.173 4.320 0.001 0.000 0.215 482 A C 2.289 179.672 177.584 -0.334 0.000 1.186 482 A CA 1.403 52.947 52.037 -0.822 0.000 0.616 482 A CB -1.636 16.400 19.000 -1.607 0.000 0.823 482 A HN 0.100 nan 8.150 nan 0.000 0.442 483 L N -0.726 120.410 121.223 -0.145 0.000 2.083 483 L HA -0.214 4.127 4.340 0.001 0.000 0.209 483 L C 3.079 179.967 176.870 0.029 0.000 1.083 483 L CA 1.035 55.917 54.840 0.069 0.000 0.752 483 L CB -0.541 41.522 42.059 0.007 0.000 0.899 483 L HN 0.454 nan 8.230 nan 0.000 0.433 484 A N -0.261 122.518 122.820 -0.069 0.000 1.933 484 A HA -0.249 4.071 4.320 0.001 0.000 0.218 484 A C 2.188 179.723 177.584 -0.081 0.000 1.175 484 A CA 1.918 53.916 52.037 -0.064 0.000 0.628 484 A CB -0.376 18.574 19.000 -0.083 0.000 0.814 484 A HN 0.373 nan 8.150 nan 0.000 0.444 485 E N -0.635 119.462 120.200 -0.171 0.000 2.107 485 E HA -0.059 4.292 4.350 0.001 0.000 0.191 485 E C 1.508 177.998 176.600 -0.183 0.000 0.982 485 E CA 1.023 57.291 56.400 -0.219 0.000 0.809 485 E CB -0.472 29.021 29.700 -0.344 0.000 0.756 485 E HN 0.630 nan 8.360 nan 0.000 0.459 486 F N 0.820 120.724 119.950 -0.075 0.000 2.161 486 F HA -0.170 4.358 4.527 0.001 0.000 0.300 486 F C 2.315 178.089 175.800 -0.043 0.000 1.089 486 F CA 1.054 59.026 58.000 -0.048 0.000 1.282 486 F CB 0.040 39.025 39.000 -0.024 0.000 1.010 486 F HN 0.058 nan 8.300 nan 0.000 0.485 487 E N 0.169 120.445 120.200 0.126 0.000 2.072 487 E HA -0.120 4.231 4.350 0.001 0.000 0.190 487 E C 2.258 178.874 176.600 0.026 0.000 0.982 487 E CA 0.756 57.192 56.400 0.060 0.000 0.803 487 E CB -0.397 29.322 29.700 0.032 0.000 0.755 487 E HN 0.388 nan 8.360 nan 0.000 0.453 488 R N 0.267 120.768 120.500 0.000 0.000 2.091 488 R HA -0.091 4.250 4.340 0.001 0.000 0.238 488 R C 2.602 178.902 176.300 -0.001 0.000 1.136 488 R CA 1.016 57.109 56.100 -0.011 0.000 0.959 488 R CB -0.428 29.852 30.300 -0.034 0.000 0.856 488 R HN 0.156 nan 8.270 nan 0.000 0.437 489 L N -0.041 121.183 121.223 0.001 0.000 2.017 489 L HA -0.205 4.136 4.340 0.001 0.000 0.208 489 L C 2.828 179.712 176.870 0.023 0.000 1.073 489 L CA 1.409 56.255 54.840 0.011 0.000 0.745 489 L CB -0.405 41.660 42.059 0.011 0.000 0.894 489 L HN 0.188 nan 8.230 nan 0.000 0.432 490 R N 0.256 120.777 120.500 0.036 0.000 2.073 490 R HA -0.211 4.130 4.340 0.001 0.000 0.234 490 R C 2.512 178.821 176.300 0.016 0.000 1.134 490 R CA 1.783 57.899 56.100 0.026 0.000 0.952 490 R CB -0.175 30.144 30.300 0.031 0.000 0.850 490 R HN 0.255 nan 8.270 nan 0.000 0.433 491 R N 0.720 121.228 120.500 0.014 0.000 2.066 491 R HA -0.132 4.208 4.340 0.001 0.000 0.232 491 R C 1.796 178.101 176.300 0.008 0.000 1.131 491 R CA 1.945 58.050 56.100 0.009 0.000 0.955 491 R CB -0.149 30.155 30.300 0.007 0.000 0.851 491 R HN 0.333 nan 8.270 nan 0.000 0.432 492 E N -0.498 119.708 120.200 0.010 0.000 2.118 492 E HA -0.140 4.211 4.350 0.001 0.000 0.195 492 E C 1.914 178.517 176.600 0.006 0.000 0.992 492 E CA 1.129 57.537 56.400 0.014 0.000 0.804 492 E CB -0.213 29.501 29.700 0.024 0.000 0.741 492 E HN 0.632 nan 8.360 nan 0.000 0.458 493 G N 1.558 110.360 108.800 0.002 0.000 2.421 493 G HA2 -0.283 3.678 3.960 0.001 0.000 0.216 493 G HA3 -0.283 3.678 3.960 0.001 0.000 0.216 493 G C 1.107 175.996 174.900 -0.018 0.000 1.171 493 G CA 1.061 46.153 45.100 -0.014 0.000 0.775 493 G HN 0.122 nan 8.290 nan 0.000 0.543 494 D N 0.692 121.090 120.400 -0.004 0.000 2.104 494 D HA -0.072 4.568 4.640 0.001 0.000 0.194 494 D C 2.449 178.745 176.300 -0.006 0.000 0.994 494 D CA 1.125 55.123 54.000 -0.003 0.000 0.830 494 D CB -0.269 40.533 40.800 0.003 0.000 0.959 494 D HN 0.472 nan 8.370 nan 0.000 0.452 495 E N 0.066 120.264 120.200 -0.004 0.000 2.047 495 E HA -0.081 4.270 4.350 0.001 0.000 0.191 495 E C 2.384 178.978 176.600 -0.011 0.000 0.987 495 E CA 0.417 56.816 56.400 -0.002 0.000 0.799 495 E CB -0.088 29.615 29.700 0.005 0.000 0.752 495 E HN 0.220 nan 8.360 nan 0.000 0.449 496 L N 1.008 122.217 121.223 -0.023 0.000 2.083 496 L HA -0.162 4.178 4.340 0.001 0.000 0.209 496 L C 2.631 179.455 176.870 -0.076 0.000 1.083 496 L CA 0.958 55.767 54.840 -0.052 0.000 0.752 496 L CB -0.564 41.435 42.059 -0.099 0.000 0.899 496 L HN 0.292 nan 8.230 nan 0.000 0.433 497 I N -2.880 117.650 120.570 -0.066 0.000 2.353 497 I HA -0.095 4.076 4.170 0.001 0.000 0.248 497 I C 2.586 178.685 176.117 -0.030 0.000 1.119 497 I CA 1.281 62.546 61.300 -0.058 0.000 1.417 497 I CB -0.592 37.383 38.000 -0.042 0.000 1.078 497 I HN 0.030 nan 8.210 nan 0.000 0.421 498 A N 1.317 124.126 122.820 -0.017 0.000 1.969 498 A HA 0.128 4.449 4.320 0.001 0.000 0.218 498 A C 2.492 180.074 177.584 -0.004 0.000 1.169 498 A CA 1.681 53.715 52.037 -0.005 0.000 0.635 498 A CB -0.737 18.262 19.000 -0.001 0.000 0.810 498 A HN 0.606 nan 8.150 nan 0.000 0.445 499 A N -0.658 122.157 122.820 -0.009 0.000 1.911 499 A HA 0.405 4.725 4.320 0.001 0.000 0.212 499 A C 1.039 178.621 177.584 -0.004 0.000 1.189 499 A CA 0.126 52.162 52.037 -0.002 0.000 0.639 499 A CB -0.334 18.667 19.000 0.003 0.000 0.839 499 A HN 0.399 nan 8.150 nan 0.000 0.449 500 L N 1.478 122.685 121.223 -0.026 0.000 2.436 500 L HA 0.254 4.594 4.340 0.001 0.000 0.265 500 L C -1.860 175.005 176.870 -0.009 0.000 1.168 500 L CA -1.934 52.886 54.840 -0.034 0.000 0.815 500 L CB 0.511 42.513 42.059 -0.096 0.000 1.109 500 L HN 0.217 nan 8.230 nan 0.000 0.462 501 P HA 0.121 nan 4.420 nan 0.000 0.277 501 P C -0.788 176.543 177.300 0.053 0.000 1.271 501 P CA -0.589 62.544 63.100 0.055 0.000 0.795 501 P CB 0.945 32.711 31.700 0.110 0.000 1.101 502 S N -0.799 114.953 115.700 0.087 0.000 2.600 502 S HA 0.021 4.492 4.470 0.001 0.000 0.265 502 S C 1.562 176.250 174.600 0.146 0.000 1.325 502 S CA -0.346 57.914 58.200 0.100 0.000 1.002 502 S CB -0.219 63.053 63.200 0.119 0.000 0.921 502 S HN 0.707 nan 8.310 nan 0.000 0.554 503 C N 1.573 120.962 119.300 0.148 0.000 2.398 503 C HA -0.128 4.333 4.460 0.001 0.000 0.276 503 C C 2.314 177.464 174.990 0.267 0.000 1.222 503 C CA 1.461 60.602 59.018 0.206 0.000 1.746 503 C CB -1.847 26.003 27.740 0.183 0.000 2.039 503 C HN 0.970 nan 8.230 nan 0.000 0.470 504 Y N 1.377 121.767 120.300 0.150 0.000 2.200 504 Y HA -0.108 4.442 4.550 0.001 0.000 0.290 504 Y C 2.366 178.385 175.900 0.198 0.000 1.137 504 Y CA 2.359 60.563 58.100 0.174 0.000 1.163 504 Y CB -0.541 37.957 38.460 0.064 0.000 0.988 504 Y HN 0.458 nan 8.280 nan 0.000 0.518 505 E N -0.990 119.364 120.200 0.257 0.000 2.049 505 E HA -0.329 4.022 4.350 0.001 0.000 0.198 505 E C 1.938 178.576 176.600 0.063 0.000 1.007 505 E CA 1.920 58.416 56.400 0.159 0.000 0.809 505 E CB -0.535 29.262 29.700 0.162 0.000 0.749 505 E HN 0.641 nan 8.360 nan 0.000 0.450 506 Y N 0.999 121.312 120.300 0.022 0.000 2.133 506 Y HA -0.185 4.365 4.550 0.001 0.000 0.287 506 Y C 1.990 177.861 175.900 -0.048 0.000 1.134 506 Y CA 1.414 59.517 58.100 0.005 0.000 1.133 506 Y CB -0.219 38.266 38.460 0.041 0.000 0.987 506 Y HN -0.042 nan 8.280 nan 0.000 0.502 507 L N -0.172 121.053 121.223 0.003 0.000 2.042 507 L HA -0.282 4.058 4.340 0.001 0.000 0.210 507 L C 2.768 179.342 176.870 -0.493 0.000 1.076 507 L CA 1.317 56.010 54.840 -0.245 0.000 0.749 507 L CB -1.026 40.951 42.059 -0.137 0.000 0.893 507 L HN 0.363 nan 8.230 nan 0.000 0.432 508 A N -0.047 122.547 122.820 -0.378 0.000 1.978 508 A HA -0.241 4.080 4.320 0.001 0.000 0.220 508 A C 2.494 179.912 177.584 -0.276 0.000 1.170 508 A CA 2.021 53.874 52.037 -0.307 0.000 0.636 508 A CB -0.686 18.164 19.000 -0.250 0.000 0.810 508 A HN 0.558 nan 8.150 nan 0.000 0.448 509 S N 0.159 115.669 115.700 -0.317 0.000 2.453 509 S HA -0.054 4.416 4.470 0.001 0.000 0.231 509 S C 1.516 175.911 174.600 -0.342 0.000 1.005 509 S CA 1.065 59.086 58.200 -0.299 0.000 0.949 509 S CB -0.673 62.339 63.200 -0.313 0.000 0.774 509 S HN 0.964 nan 8.310 nan 0.000 0.510 510 I N -2.071 118.234 120.570 -0.442 0.000 3.976 510 I HA 0.304 4.475 4.170 0.001 0.000 0.337 510 I C 0.338 176.251 176.117 -0.339 0.000 1.359 510 I CA -0.714 60.361 61.300 -0.375 0.000 1.098 510 I CB -0.016 37.739 38.000 -0.408 0.000 1.027 510 I HN 0.034 nan 8.210 nan 0.000 0.394 511 Q N 0.000 119.585 119.800 -0.358 0.000 2.315 511 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 511 Q CA 0.000 55.600 55.803 -0.339 0.000 1.022 511 Q CB 0.000 28.540 28.738 -0.331 0.000 1.108 511 Q HN 0.000 nan 8.270 nan 0.000 0.481