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 1fwh_1_C DATA FIRST_RESID 2 DATA SEQUENCE SNISRQAYAD MFGPTVGDKV RLADTELWIE VEDDLTTYGE EVKFGGGKVI DATA SEQUENCE RDGMGQGQML AADCVDLVLT NALIVDHWGI VKADIGVKDG RIFAIGKAGN DATA SEQUENCE PDIQPNVTIP IGAATEVIAA EGKIVTAGGI DTHIHWICPQ QAEEALVSGV DATA SEQUENCE TTMVGGGTGP AAGTHATTCT PGPWYISRML QAADSLPVNI GLLGKGNVSQ DATA SEQUENCE PDALREQVAA GVIGLXIHED WGATPAAIDC ALTVADEMDI QVALHSDTLN DATA SEQUENCE ESGFVEDTLA AIGGRTIHTF HTEGAGGGHA PDIITACAHP NILPSSTNPT DATA SEQUENCE LPYTLNTIDE HLDMLMVYHH LDPDIAEDVA FAESRIRRET IAAEDVLHDL DATA SEQUENCE GAFSLTSSDS QAMGRVGEVI LRTWQVAHRM KVQRGALAEE TGDNDNFRVK DATA SEQUENCE RYIAKYTINP ALTHGIAHEV GSIEVGKLAD LVVWSPAFFG VKPATVIKGG DATA SEQUENCE MIAIAPMGDI NASIPTPQPV HYRPMFGALG SARHHCRLTF LSQAAAANGV DATA SEQUENCE AERLNLRSAI AVVKGCRTVQ KADMVHNSLQ PNITVDAQTY EVRVDGELIT DATA SEQUENCE SEPADVLPMA QRYFLF 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.618 174.600 0.030 0.000 1.055 2 S CA 0.000 58.221 58.200 0.035 0.000 1.107 2 S CB 0.000 63.223 63.200 0.038 0.000 0.593 3 N N 0.025 118.743 118.700 0.030 0.000 2.242 3 N HA 0.741 5.481 4.740 -0.000 0.000 0.292 3 N C -1.859 173.674 175.510 0.037 0.000 1.125 3 N CA -0.364 52.696 53.050 0.017 0.000 0.783 3 N CB 2.586 41.076 38.487 0.005 0.000 1.558 3 N HN 0.696 nan 8.380 nan 0.000 0.472 4 I N 0.671 121.263 120.570 0.037 0.000 2.827 4 I HA 0.261 4.431 4.170 -0.000 0.000 0.298 4 I C -0.101 176.048 176.117 0.054 0.000 1.235 4 I CA -0.472 60.875 61.300 0.079 0.000 1.021 4 I CB 1.976 40.081 38.000 0.175 0.000 1.259 4 I HN 0.617 nan 8.210 nan 0.000 0.427 5 S N 5.976 121.712 115.700 0.061 0.000 2.603 5 S HA 0.361 4.831 4.470 -0.000 0.000 0.268 5 S C 1.007 175.652 174.600 0.075 0.000 1.317 5 S CA -0.475 57.750 58.200 0.041 0.000 1.012 5 S CB 1.563 64.784 63.200 0.036 0.000 0.926 5 S HN 0.797 nan 8.310 nan 0.000 0.539 6 R N 0.347 120.868 120.500 0.036 0.000 2.096 6 R HA -0.144 4.196 4.340 -0.000 0.000 0.235 6 R C 2.395 178.772 176.300 0.129 0.000 1.127 6 R CA 1.713 57.849 56.100 0.059 0.000 0.968 6 R CB -0.464 29.839 30.300 0.004 0.000 0.861 6 R HN 0.787 nan 8.270 nan 0.000 0.440 7 Q N 0.688 120.541 119.800 0.088 0.000 2.046 7 Q HA -0.064 4.276 4.340 -0.000 0.000 0.200 7 Q C 1.882 177.936 176.000 0.090 0.000 0.975 7 Q CA 2.060 57.913 55.803 0.083 0.000 0.836 7 Q CB -0.266 28.503 28.738 0.052 0.000 0.896 7 Q HN 0.305 nan 8.270 nan 0.000 0.428 8 A N -0.762 122.110 122.820 0.088 0.000 1.972 8 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 8 A C 2.025 179.663 177.584 0.090 0.000 1.169 8 A CA 1.409 53.485 52.037 0.065 0.000 0.635 8 A CB -1.011 18.026 19.000 0.061 0.000 0.810 8 A HN 0.616 nan 8.150 nan 0.000 0.446 9 Y N 0.495 120.842 120.300 0.078 0.000 2.145 9 Y HA -0.091 4.459 4.550 -0.000 0.000 0.286 9 Y C 2.667 178.674 175.900 0.178 0.000 1.145 9 Y CA 1.469 59.679 58.100 0.182 0.000 1.148 9 Y CB -0.403 38.139 38.460 0.136 0.000 0.981 9 Y HN 0.308 nan 8.280 nan 0.000 0.507 10 A N -0.043 122.945 122.820 0.281 0.000 1.933 10 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 10 A C 1.825 179.435 177.584 0.043 0.000 1.175 10 A CA 2.029 54.180 52.037 0.190 0.000 0.628 10 A CB -0.753 18.351 19.000 0.172 0.000 0.814 10 A HN 0.545 nan 8.150 nan 0.000 0.444 11 D N -1.028 119.370 120.400 -0.004 0.000 2.178 11 D HA -0.061 4.578 4.640 -0.000 0.000 0.202 11 D C 1.906 178.104 176.300 -0.170 0.000 0.974 11 D CA 1.067 55.032 54.000 -0.059 0.000 0.841 11 D CB -0.187 40.586 40.800 -0.045 0.000 0.953 11 D HN 0.477 nan 8.370 nan 0.000 0.478 12 M N -1.350 118.056 119.600 -0.324 0.000 2.357 12 M HA 0.050 4.530 4.480 -0.000 0.000 0.266 12 M C 0.649 176.420 176.300 -0.883 0.000 1.095 12 M CA 0.960 55.844 55.300 -0.693 0.000 1.156 12 M CB 0.377 32.339 32.600 -1.063 0.000 1.365 12 M HN -0.088 nan 8.290 nan 0.000 0.447 13 F N -0.327 119.451 119.950 -0.286 0.000 2.746 13 F HA 0.450 4.977 4.527 -0.000 0.000 0.320 13 F C 0.934 176.689 175.800 -0.074 0.000 1.097 13 F CA -0.001 57.859 58.000 -0.232 0.000 1.195 13 F CB 0.390 39.111 39.000 -0.466 0.000 1.056 13 F HN 0.203 nan 8.300 nan 0.000 0.562 14 G N 1.583 110.432 108.800 0.083 0.000 2.712 14 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.683 14 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.683 14 G C -3.008 172.019 174.900 0.212 0.000 1.320 14 G CA -1.329 43.849 45.100 0.130 0.000 0.847 14 G HN -0.058 nan 8.290 nan 0.000 0.553 15 P HA 0.450 nan 4.420 nan 0.000 0.272 15 P C 0.094 177.545 177.300 0.251 0.000 1.230 15 P CA 0.397 63.624 63.100 0.212 0.000 0.788 15 P CB 1.665 33.448 31.700 0.138 0.000 0.949 16 T N -0.554 114.139 114.554 0.232 0.000 2.724 16 T HA 0.289 4.639 4.350 -0.000 0.000 0.274 16 T C -0.454 174.323 174.700 0.128 0.000 0.984 16 T CA -0.787 61.438 62.100 0.208 0.000 1.024 16 T CB 0.605 69.610 68.868 0.227 0.000 1.320 16 T HN 0.100 nan 8.240 nan 0.000 0.555 17 V N 2.258 122.243 119.914 0.118 0.000 2.644 17 V HA 0.305 4.425 4.120 -0.000 0.000 0.303 17 V C 1.898 178.026 176.094 0.058 0.000 1.058 17 V CA 1.749 64.099 62.300 0.083 0.000 1.228 17 V CB -0.242 31.630 31.823 0.082 0.000 0.861 17 V HN 1.344 nan 8.190 nan 0.000 0.484 18 G N 3.659 112.488 108.800 0.050 0.000 2.258 18 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.233 18 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.233 18 G C -0.027 174.896 174.900 0.039 0.000 1.006 18 G CA 0.064 45.184 45.100 0.034 0.000 0.620 18 G HN 0.676 nan 8.290 nan 0.000 0.511 19 D N 1.388 121.823 120.400 0.059 0.000 2.362 19 D HA 0.543 5.183 4.640 -0.000 0.000 0.242 19 D C 0.612 176.965 176.300 0.089 0.000 1.132 19 D CA 0.399 54.443 54.000 0.074 0.000 0.907 19 D CB 0.942 41.800 40.800 0.097 0.000 1.195 19 D HN 0.427 nan 8.370 nan 0.000 0.429 20 K N 0.132 120.607 120.400 0.124 0.000 2.267 20 K HA 0.682 5.002 4.320 -0.000 0.000 0.246 20 K C -1.023 175.746 176.600 0.282 0.000 0.954 20 K CA -0.982 55.429 56.287 0.207 0.000 0.824 20 K CB 2.280 34.917 32.500 0.228 0.000 1.167 20 K HN 0.086 nan 8.250 nan 0.000 0.431 21 V N 1.604 121.654 119.914 0.227 0.000 2.686 21 V HA 0.374 4.494 4.120 -0.000 0.000 0.306 21 V C -0.559 175.377 176.094 -0.264 0.000 1.065 21 V CA -1.009 61.302 62.300 0.018 0.000 0.894 21 V CB 1.738 33.522 31.823 -0.064 0.000 1.004 21 V HN 0.704 nan 8.190 nan 0.000 0.424 22 R N 3.993 124.079 120.500 -0.689 0.000 2.340 22 R HA 0.513 4.853 4.340 -0.000 0.000 0.300 22 R C -0.901 175.020 176.300 -0.632 0.000 1.069 22 R CA -0.550 54.877 56.100 -1.122 0.000 0.984 22 R CB 0.637 30.103 30.300 -1.390 0.000 1.003 22 R HN 0.728 nan 8.270 nan 0.000 0.459 23 L N 6.297 127.163 121.223 -0.595 0.000 2.342 23 L HA 0.227 4.567 4.340 -0.000 0.000 0.285 23 L C 1.151 177.819 176.870 -0.337 0.000 1.095 23 L CA 0.290 54.820 54.840 -0.517 0.000 0.843 23 L CB 0.453 42.121 42.059 -0.652 0.000 1.201 23 L HN 1.128 nan 8.230 nan 0.000 0.445 24 A N 4.208 126.887 122.820 -0.235 0.000 5.483 24 A HA -0.319 4.001 4.320 -0.000 0.000 0.309 24 A C 0.800 178.290 177.584 -0.157 0.000 1.898 24 A CA 1.473 53.416 52.037 -0.156 0.000 0.716 24 A CB -1.071 17.831 19.000 -0.162 0.000 1.309 24 A HN 0.957 nan 8.150 nan 0.000 0.380 25 D N 0.126 120.480 120.400 -0.075 0.000 2.491 25 D HA 0.351 4.991 4.640 -0.000 0.000 0.228 25 D C 0.685 176.904 176.300 -0.136 0.000 1.183 25 D CA 0.993 54.935 54.000 -0.096 0.000 0.827 25 D CB -1.026 39.747 40.800 -0.045 0.000 0.989 25 D HN 1.080 nan 8.370 nan 0.000 0.494 26 T N -2.914 111.540 114.554 -0.167 0.000 2.852 26 T HA 0.287 4.637 4.350 -0.000 0.000 0.281 26 T C 0.770 175.480 174.700 0.017 0.000 0.993 26 T CA -0.548 61.486 62.100 -0.110 0.000 0.933 26 T CB 1.613 70.453 68.868 -0.046 0.000 1.187 26 T HN -0.219 nan 8.240 nan 0.000 0.559 27 E N 0.018 120.390 120.200 0.287 0.000 2.463 27 E HA 0.280 4.630 4.350 -0.000 0.000 0.193 27 E C -0.048 176.646 176.600 0.157 0.000 1.041 27 E CA -0.102 56.420 56.400 0.202 0.000 0.879 27 E CB -0.156 29.653 29.700 0.183 0.000 0.997 27 E HN 0.543 nan 8.360 nan 0.000 0.478 28 L N 0.715 121.943 121.223 0.008 0.000 2.319 28 L HA 0.250 4.589 4.340 -0.000 0.000 0.280 28 L C -0.412 176.350 176.870 -0.180 0.000 1.099 28 L CA -0.305 54.524 54.840 -0.019 0.000 0.828 28 L CB 0.416 42.428 42.059 -0.078 0.000 1.150 28 L HN -0.077 nan 8.230 nan 0.000 0.442 29 W N 4.688 125.939 121.300 -0.081 0.000 2.702 29 W HA 0.625 5.285 4.660 -0.000 0.000 0.331 29 W C -0.213 176.244 176.519 -0.104 0.000 1.049 29 W CA -0.479 56.810 57.345 -0.093 0.000 1.230 29 W CB 1.535 30.962 29.460 -0.055 0.000 1.408 29 W HN 0.237 nan 8.180 nan 0.000 0.492 30 I N -0.379 120.235 120.570 0.073 0.000 2.648 30 I HA 0.669 4.839 4.170 -0.000 0.000 0.304 30 I C -0.545 175.609 176.117 0.062 0.000 1.009 30 I CA -1.123 60.180 61.300 0.005 0.000 1.114 30 I CB 2.196 40.116 38.000 -0.132 0.000 1.293 30 I HN 0.409 nan 8.210 nan 0.000 0.449 31 E N 4.032 124.259 120.200 0.045 0.000 2.210 31 E HA 0.436 4.786 4.350 -0.000 0.000 0.266 31 E C -1.343 175.277 176.600 0.034 0.000 0.883 31 E CA -0.909 55.522 56.400 0.051 0.000 0.761 31 E CB 2.386 32.115 29.700 0.048 0.000 1.156 31 E HN 0.607 nan 8.360 nan 0.000 0.412 32 V N 4.998 124.938 119.914 0.044 0.000 2.485 32 V HA -0.037 4.083 4.120 -0.000 0.000 0.287 32 V C 0.967 177.090 176.094 0.048 0.000 1.022 32 V CA 0.641 62.969 62.300 0.045 0.000 1.067 32 V CB 0.697 32.562 31.823 0.070 0.000 0.967 32 V HN 0.839 nan 8.190 nan 0.000 0.479 33 E N 2.289 122.515 120.200 0.045 0.000 2.230 33 E HA 0.053 4.403 4.350 -0.000 0.000 0.192 33 E C 0.142 176.779 176.600 0.062 0.000 0.987 33 E CA 0.489 56.921 56.400 0.053 0.000 0.841 33 E CB 0.374 30.108 29.700 0.057 0.000 0.783 33 E HN 0.779 nan 8.360 nan 0.000 0.481 34 D N -0.722 119.719 120.400 0.069 0.000 2.648 34 D HA 0.161 4.801 4.640 -0.000 0.000 0.244 34 D C -2.058 174.284 176.300 0.070 0.000 1.244 34 D CA -0.585 53.456 54.000 0.069 0.000 0.772 34 D CB 1.866 42.715 40.800 0.082 0.000 1.379 34 D HN -0.203 nan 8.370 nan 0.000 0.428 35 D N 2.327 122.754 120.400 0.046 0.000 2.686 35 D HA 0.226 4.866 4.640 -0.000 0.000 0.249 35 D C 0.024 176.309 176.300 -0.025 0.000 1.260 35 D CA -0.416 53.603 54.000 0.031 0.000 0.910 35 D CB 1.517 42.340 40.800 0.038 0.000 1.323 35 D HN 0.148 nan 8.370 nan 0.000 0.561 36 L N 2.686 123.910 121.223 0.002 0.000 2.645 36 L HA 0.158 4.498 4.340 -0.000 0.000 0.235 36 L C 1.372 178.208 176.870 -0.058 0.000 1.150 36 L CA 0.481 55.312 54.840 -0.015 0.000 0.911 36 L CB -0.674 41.404 42.059 0.031 0.000 1.077 36 L HN 0.361 nan 8.230 nan 0.000 0.438 37 T N -1.257 113.226 114.554 -0.117 0.000 2.849 37 T HA 0.368 4.718 4.350 -0.000 0.000 0.276 37 T C 0.113 174.651 174.700 -0.271 0.000 0.971 37 T CA -0.242 61.766 62.100 -0.154 0.000 0.949 37 T CB 0.830 69.621 68.868 -0.129 0.000 1.093 37 T HN 0.078 nan 8.240 nan 0.000 0.545 38 T N 2.666 117.093 114.554 -0.213 0.000 2.864 38 T HA 0.366 4.716 4.350 -0.000 0.000 0.310 38 T C -0.962 173.656 174.700 -0.136 0.000 1.040 38 T CA -0.226 61.757 62.100 -0.195 0.000 0.977 38 T CB -0.134 68.685 68.868 -0.082 0.000 0.976 38 T HN 0.517 nan 8.240 nan 0.000 0.459 39 Y N 2.017 122.295 120.300 -0.038 0.000 2.804 39 Y HA 0.242 4.792 4.550 -0.000 0.000 0.338 39 Y C 1.720 177.600 175.900 -0.033 0.000 1.252 39 Y CA 0.930 59.002 58.100 -0.047 0.000 1.576 39 Y CB 0.090 38.505 38.460 -0.076 0.000 1.223 39 Y HN 1.031 nan 8.280 nan 0.000 0.536 40 G N 2.100 110.969 108.800 0.115 0.000 2.253 40 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.209 40 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.209 40 G C 0.546 175.457 174.900 0.018 0.000 0.997 40 G CA -0.164 44.971 45.100 0.059 0.000 0.640 40 G HN 0.537 nan 8.290 nan 0.000 0.496 41 E N 0.960 121.158 120.200 -0.004 0.000 2.558 41 E HA 0.227 4.577 4.350 -0.000 0.000 0.205 41 E C 0.230 176.819 176.600 -0.017 0.000 1.006 41 E CA -0.022 56.376 56.400 -0.004 0.000 0.961 41 E CB 0.530 30.230 29.700 -0.000 0.000 1.044 41 E HN 0.674 nan 8.360 nan 0.000 0.465 42 E N 0.917 121.070 120.200 -0.078 0.000 2.413 42 E HA 0.054 4.404 4.350 -0.000 0.000 0.263 42 E C 0.198 176.827 176.600 0.049 0.000 1.015 42 E CA -0.067 56.291 56.400 -0.070 0.000 0.916 42 E CB 0.791 30.296 29.700 -0.324 0.000 0.947 42 E HN -0.083 nan 8.360 nan 0.000 0.440 43 V N 0.149 120.118 119.914 0.091 0.000 2.465 43 V HA 0.510 4.630 4.120 -0.000 0.000 0.279 43 V C -0.024 176.176 176.094 0.177 0.000 1.045 43 V CA -0.615 61.758 62.300 0.122 0.000 0.938 43 V CB 1.091 32.975 31.823 0.101 0.000 0.986 43 V HN 0.501 nan 8.190 nan 0.000 0.467 44 K N 3.541 124.050 120.400 0.182 0.000 2.468 44 K HA 0.548 4.868 4.320 -0.000 0.000 0.252 44 K C -1.810 174.893 176.600 0.173 0.000 0.932 44 K CA -0.657 55.739 56.287 0.182 0.000 0.794 44 K CB 2.569 35.171 32.500 0.170 0.000 1.241 44 K HN 0.742 nan 8.250 nan 0.000 0.428 45 F N 1.733 121.705 119.950 0.037 0.000 2.422 45 F HA 0.697 5.224 4.527 -0.000 0.000 0.333 45 F C 0.248 176.053 175.800 0.009 0.000 1.095 45 F CA 0.476 58.488 58.000 0.021 0.000 1.038 45 F CB 1.548 40.558 39.000 0.017 0.000 1.156 45 F HN 0.680 nan 8.300 nan 0.000 0.483 46 G N 2.493 110.649 108.800 -1.073 0.000 2.369 46 G HA2 0.342 4.302 3.960 -0.000 0.000 0.293 46 G HA3 0.342 4.302 3.960 -0.000 0.000 0.293 46 G C -0.706 173.907 174.900 -0.478 0.000 1.301 46 G CA -0.526 44.102 45.100 -0.788 0.000 0.913 46 G HN 1.069 nan 8.290 nan 0.000 0.540 47 G N -0.596 108.020 108.800 -0.306 0.000 2.298 47 G HA2 0.532 4.492 3.960 -0.000 0.000 0.263 47 G HA3 0.532 4.492 3.960 -0.000 0.000 0.263 47 G C 1.494 176.314 174.900 -0.134 0.000 1.229 47 G CA 1.875 46.864 45.100 -0.186 0.000 0.976 47 G HN 2.475 nan 8.290 nan 0.000 0.459 48 G N 1.816 110.551 108.800 -0.107 0.000 2.168 48 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.263 48 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.263 48 G C 0.873 175.740 174.900 -0.055 0.000 0.977 48 G CA 0.851 45.912 45.100 -0.065 0.000 0.659 48 G HN 0.739 nan 8.290 nan 0.000 0.533 49 K N -0.480 119.869 120.400 -0.085 0.000 2.731 49 K HA 0.527 4.847 4.320 -0.000 0.000 0.284 49 K C 1.918 178.517 176.600 -0.001 0.000 1.027 49 K CA 0.108 56.368 56.287 -0.045 0.000 1.040 49 K CB -0.163 32.292 32.500 -0.076 0.000 1.334 49 K HN 0.070 nan 8.250 nan 0.000 0.498 50 V N 0.667 120.606 119.914 0.042 0.000 2.407 50 V HA -0.072 4.048 4.120 -0.000 0.000 0.245 50 V C 1.480 177.621 176.094 0.078 0.000 1.041 50 V CA 1.106 63.446 62.300 0.065 0.000 1.040 50 V CB -0.334 31.543 31.823 0.090 0.000 0.671 50 V HN 0.449 nan 8.190 nan 0.000 0.455 51 I N 2.462 123.104 120.570 0.120 0.000 2.366 51 I HA 0.165 4.335 4.170 -0.000 0.000 0.302 51 I C 0.355 176.562 176.117 0.149 0.000 1.194 51 I CA 0.626 62.022 61.300 0.160 0.000 1.667 51 I CB -0.744 37.409 38.000 0.255 0.000 1.501 51 I HN 0.243 nan 8.210 nan 0.000 0.776 52 R N 2.125 122.676 120.500 0.086 0.000 2.771 52 R HA 0.274 4.614 4.340 -0.000 0.000 0.274 52 R C -0.833 175.494 176.300 0.046 0.000 0.987 52 R CA -1.202 54.937 56.100 0.064 0.000 0.908 52 R CB 1.712 32.032 30.300 0.033 0.000 1.213 52 R HN 0.197 nan 8.270 nan 0.000 0.468 53 D N 0.464 120.887 120.400 0.039 0.000 2.662 53 D HA 0.013 4.653 4.640 -0.000 0.000 0.233 53 D C 1.204 177.517 176.300 0.022 0.000 1.129 53 D CA 2.582 56.598 54.000 0.027 0.000 0.851 53 D CB 0.343 41.156 40.800 0.021 0.000 1.152 53 D HN 0.698 nan 8.370 nan 0.000 0.507 54 G N 2.723 111.535 108.800 0.020 0.000 2.234 54 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.260 54 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.260 54 G C 0.795 175.708 174.900 0.021 0.000 0.987 54 G CA 0.916 46.027 45.100 0.018 0.000 0.625 54 G HN 0.523 nan 8.290 nan 0.000 0.532 55 M N -0.783 118.833 119.600 0.026 0.000 2.209 55 M HA 0.470 4.950 4.480 -0.000 0.000 0.195 55 M C 2.464 178.785 176.300 0.035 0.000 1.518 55 M CA 0.919 56.237 55.300 0.030 0.000 1.747 55 M CB -0.327 32.292 32.600 0.031 0.000 1.021 55 M HN 0.120 nan 8.290 nan 0.000 0.829 56 G N 0.001 108.829 108.800 0.045 0.000 2.679 56 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.212 56 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.212 56 G C 0.393 175.321 174.900 0.047 0.000 1.137 56 G CA 0.147 45.278 45.100 0.051 0.000 0.787 56 G HN 0.467 nan 8.290 nan 0.000 0.534 57 Q N 0.193 120.019 119.800 0.043 0.000 2.331 57 Q HA 0.549 4.889 4.340 -0.000 0.000 0.267 57 Q C 0.302 176.315 176.000 0.022 0.000 1.006 57 Q CA -0.662 55.161 55.803 0.034 0.000 0.818 57 Q CB 1.556 30.319 28.738 0.043 0.000 1.276 57 Q HN 0.144 nan 8.270 nan 0.000 0.450 58 G N 1.400 110.208 108.800 0.013 0.000 2.510 58 G HA2 0.105 4.065 3.960 -0.000 0.000 0.280 58 G HA3 0.105 4.065 3.960 -0.000 0.000 0.280 58 G C 0.086 174.988 174.900 0.004 0.000 1.386 58 G CA -0.184 44.922 45.100 0.009 0.000 1.047 58 G HN 0.675 nan 8.290 nan 0.000 0.527 59 Q N -0.154 119.648 119.800 0.003 0.000 2.198 59 Q HA 0.103 4.443 4.340 -0.000 0.000 0.209 59 Q C 1.033 177.030 176.000 -0.004 0.000 0.848 59 Q CA -0.324 55.479 55.803 0.000 0.000 0.974 59 Q CB 0.268 29.007 28.738 0.003 0.000 1.115 59 Q HN 0.655 nan 8.270 nan 0.000 0.494 60 M N -0.595 119.000 119.600 -0.007 0.000 2.232 60 M HA 0.249 4.729 4.480 -0.000 0.000 0.321 60 M C 0.009 176.298 176.300 -0.018 0.000 1.101 60 M CA -0.013 55.280 55.300 -0.011 0.000 1.181 60 M CB 0.216 32.808 32.600 -0.014 0.000 1.432 60 M HN -0.089 nan 8.290 nan 0.000 0.457 61 L N 2.013 123.226 121.223 -0.017 0.000 2.475 61 L HA 0.269 4.609 4.340 -0.000 0.000 0.253 61 L C 1.900 178.751 176.870 -0.032 0.000 1.198 61 L CA -0.161 54.666 54.840 -0.020 0.000 0.814 61 L CB 0.398 42.448 42.059 -0.015 0.000 1.134 61 L HN 1.014 nan 8.230 nan 0.000 0.478 62 A N 1.397 124.196 122.820 -0.035 0.000 1.986 62 A HA -0.227 4.093 4.320 -0.000 0.000 0.220 62 A C 2.210 179.761 177.584 -0.056 0.000 1.171 62 A CA 2.072 54.081 52.037 -0.048 0.000 0.640 62 A CB -0.771 18.204 19.000 -0.042 0.000 0.811 62 A HN 0.897 nan 8.150 nan 0.000 0.451 63 A N -0.856 121.942 122.820 -0.038 0.000 2.066 63 A HA -0.049 4.271 4.320 -0.000 0.000 0.218 63 A C 1.256 178.817 177.584 -0.040 0.000 1.157 63 A CA 1.447 53.465 52.037 -0.031 0.000 0.670 63 A CB -0.181 18.814 19.000 -0.009 0.000 0.804 63 A HN 0.447 nan 8.150 nan 0.000 0.453 64 D N -0.754 119.619 120.400 -0.045 0.000 2.388 64 D HA 0.203 4.843 4.640 -0.000 0.000 0.221 64 D C 0.192 176.440 176.300 -0.087 0.000 1.133 64 D CA 0.507 54.481 54.000 -0.042 0.000 0.831 64 D CB -0.078 40.714 40.800 -0.013 0.000 0.962 64 D HN 0.588 nan 8.370 nan 0.000 0.502 65 C N -1.247 117.969 119.300 -0.140 0.000 3.173 65 C HA 0.756 5.216 4.460 -0.000 0.000 0.310 65 C C 0.348 175.175 174.990 -0.272 0.000 1.306 65 C CA -1.193 57.715 59.018 -0.184 0.000 1.426 65 C CB 1.058 28.734 27.740 -0.107 0.000 1.800 65 C HN 0.014 nan 8.230 nan 0.000 0.470 66 V N 0.141 119.866 119.914 -0.315 0.000 3.003 66 V HA 0.391 4.511 4.120 -0.000 0.000 0.305 66 V C 0.571 176.565 176.094 -0.166 0.000 1.078 66 V CA 0.496 62.608 62.300 -0.313 0.000 1.083 66 V CB 0.582 32.242 31.823 -0.272 0.000 1.039 66 V HN 0.915 nan 8.190 nan 0.000 0.481 67 D N 0.578 120.903 120.400 -0.125 0.000 2.213 67 D HA 0.182 4.822 4.640 -0.000 0.000 0.205 67 D C 0.209 176.466 176.300 -0.071 0.000 0.961 67 D CA 1.153 55.102 54.000 -0.084 0.000 0.853 67 D CB 0.579 41.344 40.800 -0.058 0.000 0.967 67 D HN 0.497 nan 8.370 nan 0.000 0.496 68 L N 0.083 121.271 121.223 -0.057 0.000 2.445 68 L HA 0.499 4.839 4.340 -0.000 0.000 0.262 68 L C -1.701 175.156 176.870 -0.022 0.000 0.974 68 L CA -0.873 53.941 54.840 -0.042 0.000 0.822 68 L CB 2.617 44.664 42.059 -0.021 0.000 1.339 68 L HN -0.272 nan 8.230 nan 0.000 0.409 69 V N 5.530 125.431 119.914 -0.022 0.000 2.638 69 V HA 0.606 4.726 4.120 -0.000 0.000 0.306 69 V C -1.400 174.706 176.094 0.019 0.000 1.052 69 V CA -0.451 61.854 62.300 0.009 0.000 0.885 69 V CB 1.958 33.785 31.823 0.007 0.000 0.999 69 V HN 0.714 nan 8.190 nan 0.000 0.424 70 L N 6.605 127.857 121.223 0.049 0.000 2.262 70 L HA 0.523 4.863 4.340 -0.000 0.000 0.288 70 L C 0.698 177.613 176.870 0.076 0.000 1.035 70 L CA 0.152 55.027 54.840 0.058 0.000 0.820 70 L CB 1.639 43.742 42.059 0.072 0.000 1.204 70 L HN 0.854 nan 8.230 nan 0.000 0.424 71 T N -0.182 114.418 114.554 0.077 0.000 2.856 71 T HA 0.272 4.622 4.350 -0.000 0.000 0.292 71 T C 0.560 175.329 174.700 0.115 0.000 0.980 71 T CA -0.701 61.458 62.100 0.098 0.000 1.091 71 T CB 0.513 69.447 68.868 0.110 0.000 0.936 71 T HN 0.590 nan 8.240 nan 0.000 0.503 72 N N 0.190 118.966 118.700 0.126 0.000 2.714 72 N HA -0.156 4.584 4.740 -0.000 0.000 0.253 72 N C -0.023 175.566 175.510 0.132 0.000 1.024 72 N CA 0.846 53.983 53.050 0.144 0.000 0.726 72 N CB -1.608 36.989 38.487 0.184 0.000 0.908 72 N HN 1.116 nan 8.380 nan 0.000 0.542 73 A N 0.157 123.050 122.820 0.122 0.000 2.327 73 A HA 0.574 4.894 4.320 -0.000 0.000 0.283 73 A C 0.418 178.070 177.584 0.114 0.000 1.127 73 A CA -0.566 51.542 52.037 0.119 0.000 0.810 73 A CB 0.841 19.912 19.000 0.119 0.000 1.066 73 A HN 0.319 nan 8.150 nan 0.000 0.492 74 L N 4.104 125.390 121.223 0.104 0.000 2.272 74 L HA 0.457 4.797 4.340 -0.000 0.000 0.284 74 L C -0.493 176.410 176.870 0.054 0.000 1.045 74 L CA -0.134 54.750 54.840 0.074 0.000 0.842 74 L CB -0.149 41.945 42.059 0.058 0.000 1.224 74 L HN 0.559 nan 8.230 nan 0.000 0.430 75 I N 5.284 125.871 120.570 0.029 0.000 2.496 75 I HA 0.223 4.393 4.170 -0.000 0.000 0.285 75 I C -0.384 175.651 176.117 -0.137 0.000 1.080 75 I CA -0.437 60.850 61.300 -0.022 0.000 1.404 75 I CB 1.186 39.167 38.000 -0.030 0.000 1.403 75 I HN 0.250 nan 8.210 nan 0.000 0.539 76 V N 5.752 125.599 119.914 -0.112 0.000 2.380 76 V HA 0.395 4.515 4.120 -0.000 0.000 0.286 76 V C -0.629 175.365 176.094 -0.166 0.000 1.015 76 V CA -0.328 61.879 62.300 -0.156 0.000 0.834 76 V CB 1.507 33.268 31.823 -0.104 0.000 1.009 76 V HN 0.697 nan 8.190 nan 0.000 0.428 77 D N 0.757 120.921 120.400 -0.394 0.000 2.610 77 D HA 0.322 4.962 4.640 -0.000 0.000 0.271 77 D C 0.879 176.952 176.300 -0.380 0.000 1.174 77 D CA -0.408 53.341 54.000 -0.418 0.000 0.949 77 D CB 1.505 41.828 40.800 -0.794 0.000 1.430 77 D HN 0.674 nan 8.370 nan 0.000 0.467 78 H N -0.213 118.786 119.070 -0.118 0.000 2.457 78 H HA -0.050 4.506 4.556 -0.000 0.000 0.297 78 H C 1.397 176.845 175.328 0.200 0.000 1.092 78 H CA 1.765 57.863 56.048 0.083 0.000 1.309 78 H CB -0.310 29.523 29.762 0.118 0.000 1.382 78 H HN 0.505 nan 8.280 nan 0.000 0.535 79 W N 0.414 121.534 121.300 -0.299 0.000 3.077 79 W HA 0.587 5.247 4.660 -0.000 0.000 0.266 79 W C -0.147 176.378 176.519 0.010 0.000 1.300 79 W CA 0.167 57.453 57.345 -0.098 0.000 1.586 79 W CB 0.162 29.472 29.460 -0.250 0.000 1.103 79 W HN 0.392 nan 8.180 nan 0.000 0.652 80 G N 0.940 109.506 108.800 -0.390 0.000 2.325 80 G HA2 0.399 4.359 3.960 -0.000 0.000 0.297 80 G HA3 0.399 4.359 3.960 -0.000 0.000 0.297 80 G C -2.033 172.607 174.900 -0.434 0.000 1.448 80 G CA -1.069 43.881 45.100 -0.249 0.000 0.838 80 G HN 0.053 nan 8.290 nan 0.000 0.579 81 I N 1.537 121.991 120.570 -0.195 0.000 2.537 81 I HA 0.453 4.623 4.170 -0.000 0.000 0.276 81 I C 0.106 176.183 176.117 -0.068 0.000 1.063 81 I CA -0.931 60.275 61.300 -0.157 0.000 1.144 81 I CB 1.319 39.260 38.000 -0.098 0.000 1.252 81 I HN 0.550 nan 8.210 nan 0.000 0.480 82 V N 2.067 121.942 119.914 -0.065 0.000 3.040 82 V HA 0.661 4.781 4.120 -0.000 0.000 0.312 82 V C -0.637 175.495 176.094 0.064 0.000 1.115 82 V CA -1.043 61.282 62.300 0.041 0.000 0.998 82 V CB 2.213 34.116 31.823 0.134 0.000 1.042 82 V HN 0.501 nan 8.190 nan 0.000 0.433 83 K N 1.968 122.422 120.400 0.090 0.000 2.183 83 K HA 0.907 5.227 4.320 -0.000 0.000 0.274 83 K C -0.396 176.270 176.600 0.110 0.000 1.009 83 K CA 0.696 57.047 56.287 0.106 0.000 0.888 83 K CB 0.976 33.551 32.500 0.125 0.000 1.078 83 K HN 1.625 nan 8.250 nan 0.000 0.459 84 A N 3.117 126.007 122.820 0.117 0.000 2.515 84 A HA 0.420 4.740 4.320 -0.000 0.000 0.292 84 A C -1.764 175.888 177.584 0.114 0.000 1.065 84 A CA -0.935 51.169 52.037 0.112 0.000 0.641 84 A CB 0.747 19.828 19.000 0.134 0.000 1.306 84 A HN 0.654 nan 8.150 nan 0.000 0.441 85 D N 0.380 120.843 120.400 0.104 0.000 2.193 85 D HA 0.626 5.266 4.640 -0.000 0.000 0.249 85 D C -0.679 175.691 176.300 0.116 0.000 1.034 85 D CA 0.272 54.333 54.000 0.103 0.000 0.902 85 D CB 1.514 42.367 40.800 0.089 0.000 1.182 85 D HN 0.432 nan 8.370 nan 0.000 0.436 86 I N 0.867 121.507 120.570 0.116 0.000 2.406 86 I HA 0.375 4.545 4.170 -0.000 0.000 0.290 86 I C 0.634 176.825 176.117 0.123 0.000 0.999 86 I CA -0.761 60.617 61.300 0.130 0.000 1.124 86 I CB 2.088 40.168 38.000 0.133 0.000 1.289 86 I HN 0.203 nan 8.210 nan 0.000 0.441 87 G N 5.454 114.351 108.800 0.162 0.000 2.356 87 G HA2 0.614 4.574 3.960 -0.000 0.000 0.322 87 G HA3 0.614 4.574 3.960 -0.000 0.000 0.322 87 G C -0.970 174.040 174.900 0.183 0.000 1.125 87 G CA -0.341 44.855 45.100 0.161 0.000 0.885 87 G HN 0.333 nan 8.290 nan 0.000 0.467 88 V N 1.994 121.966 119.914 0.097 0.000 2.540 88 V HA 0.632 4.752 4.120 -0.000 0.000 0.302 88 V C -0.107 176.009 176.094 0.037 0.000 1.035 88 V CA -0.794 61.566 62.300 0.100 0.000 0.873 88 V CB 1.807 33.673 31.823 0.071 0.000 0.992 88 V HN 0.820 nan 8.190 nan 0.000 0.428 89 K N 3.040 123.487 120.400 0.078 0.000 2.513 89 K HA 0.406 4.726 4.320 -0.000 0.000 0.251 89 K C -0.679 175.965 176.600 0.074 0.000 0.939 89 K CA -0.484 55.812 56.287 0.015 0.000 0.793 89 K CB 1.448 33.897 32.500 -0.085 0.000 1.241 89 K HN 0.679 nan 8.250 nan 0.000 0.431 90 D N 3.052 123.482 120.400 0.051 0.000 2.837 90 D HA -0.185 4.454 4.640 -0.000 0.000 0.230 90 D C 0.583 176.942 176.300 0.099 0.000 1.152 90 D CA 1.826 55.874 54.000 0.080 0.000 0.736 90 D CB -1.115 39.735 40.800 0.084 0.000 1.084 90 D HN 1.112 nan 8.370 nan 0.000 0.429 91 G N -0.461 108.393 108.800 0.090 0.000 2.184 91 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.264 91 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.264 91 G C 0.361 175.313 174.900 0.086 0.000 0.975 91 G CA 0.771 45.927 45.100 0.093 0.000 0.642 91 G HN 0.540 nan 8.290 nan 0.000 0.536 92 R N -0.915 119.644 120.500 0.098 0.000 2.888 92 R HA 0.648 4.988 4.340 -0.000 0.000 0.266 92 R C 0.110 176.490 176.300 0.133 0.000 1.020 92 R CA -1.203 54.960 56.100 0.105 0.000 0.963 92 R CB 1.345 31.703 30.300 0.097 0.000 1.197 92 R HN 0.157 nan 8.270 nan 0.000 0.481 93 I N 2.457 123.102 120.570 0.124 0.000 2.505 93 I HA -0.068 4.102 4.170 -0.000 0.000 0.287 93 I C 0.910 177.118 176.117 0.152 0.000 1.104 93 I CA 0.344 61.727 61.300 0.139 0.000 1.387 93 I CB 0.216 38.286 38.000 0.116 0.000 1.404 93 I HN 0.607 nan 8.210 nan 0.000 0.528 94 F N 6.925 126.898 119.950 0.038 0.000 2.188 94 F HA 0.404 4.931 4.527 -0.000 0.000 0.289 94 F C 1.023 176.835 175.800 0.021 0.000 1.082 94 F CA 0.738 58.754 58.000 0.027 0.000 1.282 94 F CB 0.331 39.346 39.000 0.025 0.000 1.060 94 F HN 0.462 nan 8.300 nan 0.000 0.493 95 A N -0.206 122.687 122.820 0.122 0.000 2.608 95 A HA 0.605 4.925 4.320 -0.000 0.000 0.292 95 A C -1.645 175.997 177.584 0.096 0.000 1.066 95 A CA -0.582 51.456 52.037 0.003 0.000 0.676 95 A CB 0.563 19.563 19.000 0.000 0.000 1.277 95 A HN 0.113 nan 8.150 nan 0.000 0.413 96 I N 1.451 122.050 120.570 0.048 0.000 2.411 96 I HA 0.641 4.811 4.170 -0.000 0.000 0.284 96 I C 0.684 176.841 176.117 0.067 0.000 1.012 96 I CA 0.289 61.642 61.300 0.090 0.000 1.119 96 I CB 1.661 39.722 38.000 0.101 0.000 1.261 96 I HN 1.087 nan 8.210 nan 0.000 0.448 97 G N 5.393 114.243 108.800 0.084 0.000 2.725 97 G HA2 0.211 4.171 3.960 -0.000 0.000 0.098 97 G HA3 0.211 4.171 3.960 -0.000 0.000 0.098 97 G C -1.532 173.404 174.900 0.061 0.000 1.188 97 G CA -0.391 44.746 45.100 0.062 0.000 1.237 97 G HN 0.287 nan 8.290 nan 0.000 0.596 98 K N 1.130 121.561 120.400 0.051 0.000 2.394 98 K HA 0.721 5.041 4.320 -0.000 0.000 0.260 98 K C -0.342 176.291 176.600 0.054 0.000 0.967 98 K CA -0.266 56.046 56.287 0.041 0.000 0.855 98 K CB 1.212 33.721 32.500 0.016 0.000 1.101 98 K HN 0.768 nan 8.250 nan 0.000 0.433 99 A N 2.426 125.280 122.820 0.057 0.000 2.279 99 A HA 0.860 5.180 4.320 -0.000 0.000 0.303 99 A C 0.335 177.948 177.584 0.047 0.000 1.108 99 A CA 0.390 52.461 52.037 0.057 0.000 0.830 99 A CB 0.885 19.921 19.000 0.060 0.000 1.106 99 A HN 0.901 nan 8.150 nan 0.000 0.493 100 G N 0.122 108.947 108.800 0.041 0.000 2.332 100 G HA2 0.284 4.244 3.960 -0.000 0.000 0.265 100 G HA3 0.284 4.244 3.960 -0.000 0.000 0.265 100 G C -1.490 173.428 174.900 0.030 0.000 1.329 100 G CA -0.223 44.900 45.100 0.038 0.000 0.949 100 G HN 1.135 nan 8.290 nan 0.000 0.476 101 N N 0.844 119.561 118.700 0.028 0.000 2.479 101 N HA 0.622 5.362 4.740 -0.000 0.000 0.261 101 N C -1.699 173.824 175.510 0.022 0.000 0.979 101 N CA -2.276 50.788 53.050 0.023 0.000 0.930 101 N CB 2.518 41.019 38.487 0.023 0.000 1.172 101 N HN 0.024 nan 8.380 nan 0.000 0.499 102 P HA -0.042 nan 4.420 nan 0.000 0.223 102 P C 0.218 177.528 177.300 0.017 0.000 1.144 102 P CA 0.843 63.955 63.100 0.020 0.000 0.783 102 P CB 0.421 32.134 31.700 0.021 0.000 0.771 103 D N -0.807 119.602 120.400 0.016 0.000 2.178 103 D HA -0.090 4.550 4.640 -0.000 0.000 0.202 103 D C 1.675 177.984 176.300 0.015 0.000 0.974 103 D CA 1.176 55.185 54.000 0.015 0.000 0.841 103 D CB -0.084 40.724 40.800 0.014 0.000 0.953 103 D HN 0.357 nan 8.370 nan 0.000 0.478 104 I N -3.870 116.710 120.570 0.017 0.000 4.655 104 I HA 0.238 4.408 4.170 -0.000 0.000 0.333 104 I C 0.007 176.135 176.117 0.019 0.000 1.312 104 I CA -0.421 60.889 61.300 0.018 0.000 1.270 104 I CB 0.414 38.426 38.000 0.019 0.000 1.318 104 I HN -0.319 nan 8.210 nan 0.000 0.456 105 Q N 3.335 123.147 119.800 0.019 0.000 2.301 105 Q HA 0.581 4.921 4.340 -0.000 0.000 0.267 105 Q C -2.578 173.431 176.000 0.015 0.000 1.035 105 Q CA -1.961 53.853 55.803 0.018 0.000 0.856 105 Q CB 2.205 30.955 28.738 0.021 0.000 1.337 105 Q HN 0.104 nan 8.270 nan 0.000 0.450 106 P HA 0.195 nan 4.420 nan 0.000 0.283 106 P C -1.062 176.241 177.300 0.005 0.000 1.271 106 P CA -0.373 62.732 63.100 0.008 0.000 0.841 106 P CB 0.752 32.455 31.700 0.004 0.000 1.122 107 N N -2.044 116.659 118.700 0.004 0.000 2.693 107 N HA -0.133 4.607 4.740 -0.000 0.000 0.249 107 N C -0.333 175.184 175.510 0.012 0.000 1.119 107 N CA 0.207 53.259 53.050 0.003 0.000 0.717 107 N CB -1.667 36.815 38.487 -0.010 0.000 1.071 107 N HN 0.151 nan 8.380 nan 0.000 0.555 108 V N 0.839 120.765 119.914 0.020 0.000 2.470 108 V HA 0.139 4.259 4.120 -0.000 0.000 0.276 108 V C 1.657 177.778 176.094 0.046 0.000 1.040 108 V CA 1.028 63.347 62.300 0.032 0.000 1.008 108 V CB 1.171 33.014 31.823 0.033 0.000 0.990 108 V HN 0.499 nan 8.190 nan 0.000 0.477 109 T N 1.439 116.030 114.554 0.061 0.000 2.975 109 T HA 0.394 4.744 4.350 -0.000 0.000 0.257 109 T C 0.276 175.069 174.700 0.156 0.000 1.003 109 T CA 0.155 62.306 62.100 0.086 0.000 0.932 109 T CB 0.108 69.011 68.868 0.058 0.000 1.087 109 T HN 0.355 nan 8.240 nan 0.000 0.512 110 I N 3.839 124.488 120.570 0.132 0.000 2.537 110 I HA 0.354 4.524 4.170 -0.000 0.000 0.276 110 I C -2.713 173.440 176.117 0.060 0.000 1.063 110 I CA -2.650 58.739 61.300 0.149 0.000 1.144 110 I CB 1.898 39.984 38.000 0.143 0.000 1.252 110 I HN -0.062 nan 8.210 nan 0.000 0.480 111 P HA 0.192 nan 4.420 nan 0.000 0.271 111 P C -0.490 176.786 177.300 -0.040 0.000 1.226 111 P CA 0.275 63.371 63.100 -0.006 0.000 0.765 111 P CB 1.146 32.839 31.700 -0.012 0.000 0.835 112 I N 2.825 123.384 120.570 -0.017 0.000 2.354 112 I HA 0.541 4.711 4.170 -0.000 0.000 0.292 112 I C 1.071 177.176 176.117 -0.020 0.000 0.989 112 I CA -0.138 61.149 61.300 -0.022 0.000 1.188 112 I CB 1.807 39.809 38.000 0.003 0.000 1.342 112 I HN 0.422 nan 8.210 nan 0.000 0.457 113 G N 2.862 111.642 108.800 -0.034 0.000 3.022 113 G HA2 0.541 4.501 3.960 -0.000 0.000 0.284 113 G HA3 0.541 4.501 3.960 -0.000 0.000 0.284 113 G C 0.563 175.447 174.900 -0.026 0.000 1.375 113 G CA -0.003 45.081 45.100 -0.026 0.000 0.902 113 G HN 0.620 nan 8.290 nan 0.000 0.538 114 A N -0.695 122.113 122.820 -0.021 0.000 1.986 114 A HA 0.166 4.486 4.320 -0.000 0.000 0.220 114 A C 2.334 179.897 177.584 -0.035 0.000 1.171 114 A CA 2.696 54.720 52.037 -0.021 0.000 0.640 114 A CB -0.622 18.368 19.000 -0.017 0.000 0.811 114 A HN 1.576 nan 8.150 nan 0.000 0.451 115 A N -0.878 121.915 122.820 -0.045 0.000 2.302 115 A HA 0.362 4.682 4.320 -0.000 0.000 0.219 115 A C 0.715 178.257 177.584 -0.069 0.000 1.243 115 A CA 0.558 52.561 52.037 -0.057 0.000 0.856 115 A CB -0.495 18.471 19.000 -0.058 0.000 0.893 115 A HN 0.282 nan 8.150 nan 0.000 0.491 116 T N 0.877 115.389 114.554 -0.069 0.000 2.767 116 T HA 0.425 4.775 4.350 -0.000 0.000 0.288 116 T C -0.295 174.344 174.700 -0.102 0.000 0.963 116 T CA -0.330 61.721 62.100 -0.081 0.000 1.019 116 T CB 1.488 70.314 68.868 -0.071 0.000 0.923 116 T HN 0.457 nan 8.240 nan 0.000 0.468 117 E N 2.424 122.557 120.200 -0.111 0.000 2.283 117 E HA 0.521 4.871 4.350 -0.000 0.000 0.271 117 E C -1.184 175.316 176.600 -0.167 0.000 1.031 117 E CA -0.633 55.676 56.400 -0.150 0.000 0.868 117 E CB 0.918 30.545 29.700 -0.122 0.000 1.094 117 E HN 0.317 nan 8.360 nan 0.000 0.401 118 V N 4.894 124.651 119.914 -0.262 0.000 2.604 118 V HA 0.449 4.569 4.120 -0.000 0.000 0.305 118 V C -0.265 175.715 176.094 -0.189 0.000 1.043 118 V CA -0.674 61.480 62.300 -0.244 0.000 0.888 118 V CB 1.571 33.162 31.823 -0.388 0.000 0.995 118 V HN 0.674 nan 8.190 nan 0.000 0.429 119 I N 3.598 124.119 120.570 -0.083 0.000 2.410 119 I HA 0.561 4.731 4.170 -0.000 0.000 0.286 119 I C 0.381 176.505 176.117 0.012 0.000 1.009 119 I CA -0.653 60.626 61.300 -0.034 0.000 1.111 119 I CB 1.859 39.851 38.000 -0.013 0.000 1.262 119 I HN 0.703 nan 8.210 nan 0.000 0.443 120 A N 5.172 128.013 122.820 0.036 0.000 2.376 120 A HA 0.573 4.893 4.320 -0.000 0.000 0.298 120 A C 0.812 178.435 177.584 0.065 0.000 1.271 120 A CA -0.135 51.945 52.037 0.072 0.000 0.926 120 A CB 0.267 19.326 19.000 0.098 0.000 1.141 120 A HN 0.882 nan 8.150 nan 0.000 0.539 121 A N 2.928 125.794 122.820 0.076 0.000 2.423 121 A HA 0.263 4.583 4.320 -0.000 0.000 0.246 121 A C 0.704 178.344 177.584 0.093 0.000 1.278 121 A CA -0.249 51.838 52.037 0.083 0.000 0.903 121 A CB -0.135 18.919 19.000 0.090 0.000 0.997 121 A HN 0.806 nan 8.150 nan 0.000 0.510 122 E N 0.040 120.294 120.200 0.090 0.000 2.351 122 E HA 0.320 4.670 4.350 -0.000 0.000 0.266 122 E C 0.806 177.447 176.600 0.069 0.000 1.031 122 E CA 0.495 56.948 56.400 0.089 0.000 0.911 122 E CB 0.216 29.960 29.700 0.074 0.000 0.986 122 E HN 0.876 nan 8.360 nan 0.000 0.446 123 G N 2.887 111.736 108.800 0.081 0.000 2.175 123 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.244 123 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.244 123 G C -0.006 174.949 174.900 0.092 0.000 0.982 123 G CA 0.157 45.301 45.100 0.073 0.000 0.641 123 G HN 0.476 nan 8.290 nan 0.000 0.527 124 K N -0.104 120.361 120.400 0.107 0.000 2.281 124 K HA 0.763 5.083 4.320 -0.000 0.000 0.242 124 K C -0.072 176.623 176.600 0.158 0.000 0.971 124 K CA -0.848 55.525 56.287 0.143 0.000 0.834 124 K CB 2.037 34.618 32.500 0.136 0.000 1.181 124 K HN 0.210 nan 8.250 nan 0.000 0.435 125 I N 1.423 122.133 120.570 0.233 0.000 2.377 125 I HA 0.267 4.437 4.170 -0.000 0.000 0.293 125 I C -0.470 175.876 176.117 0.380 0.000 0.987 125 I CA -1.099 60.349 61.300 0.247 0.000 1.185 125 I CB 1.855 39.981 38.000 0.211 0.000 1.341 125 I HN 0.010 nan 8.210 nan 0.000 0.455 126 V N 4.674 124.760 119.914 0.287 0.000 2.555 126 V HA 0.611 4.731 4.120 -0.000 0.000 0.302 126 V C 0.059 176.340 176.094 0.312 0.000 1.038 126 V CA -0.359 62.112 62.300 0.284 0.000 0.887 126 V CB 2.006 33.936 31.823 0.179 0.000 0.991 126 V HN 0.906 nan 8.190 nan 0.000 0.434 127 T N 1.437 116.222 114.554 0.385 0.000 2.883 127 T HA 0.859 5.209 4.350 -0.000 0.000 0.296 127 T C -0.119 174.761 174.700 0.300 0.000 1.117 127 T CA -0.308 62.015 62.100 0.373 0.000 1.006 127 T CB 1.900 71.113 68.868 0.575 0.000 1.191 127 T HN 1.017 nan 8.240 nan 0.000 0.508 128 A N 0.516 123.493 122.820 0.262 0.000 2.386 128 A HA 0.682 5.002 4.320 -0.000 0.000 0.246 128 A C 0.967 178.706 177.584 0.258 0.000 1.089 128 A CA -0.098 52.076 52.037 0.229 0.000 0.790 128 A CB -0.711 18.415 19.000 0.210 0.000 1.042 128 A HN 1.406 nan 8.150 nan 0.000 0.497 129 G N -0.550 108.377 108.800 0.212 0.000 2.467 129 G HA2 0.486 4.446 3.960 -0.000 0.000 0.257 129 G HA3 0.486 4.446 3.960 -0.000 0.000 0.257 129 G C 0.494 175.551 174.900 0.261 0.000 1.227 129 G CA 0.178 45.406 45.100 0.213 0.000 0.835 129 G HN 1.130 nan 8.290 nan 0.000 0.556 130 G N -0.491 108.496 108.800 0.312 0.000 2.569 130 G HA2 0.459 4.419 3.960 -0.000 0.000 0.249 130 G HA3 0.459 4.419 3.960 -0.000 0.000 0.249 130 G C -0.294 174.750 174.900 0.240 0.000 1.216 130 G CA -0.536 44.792 45.100 0.380 0.000 0.845 130 G HN 0.632 nan 8.290 nan 0.000 0.568 131 I N 1.103 121.811 120.570 0.229 0.000 2.468 131 I HA 0.172 4.342 4.170 -0.000 0.000 0.284 131 I C -1.213 174.977 176.117 0.121 0.000 1.038 131 I CA -0.710 60.680 61.300 0.150 0.000 1.083 131 I CB 2.035 40.109 38.000 0.123 0.000 1.223 131 I HN 0.303 nan 8.210 nan 0.000 0.443 132 D N 4.537 124.983 120.400 0.076 0.000 2.329 132 D HA 0.222 4.862 4.640 -0.000 0.000 0.232 132 D C 0.833 177.136 176.300 0.005 0.000 1.088 132 D CA -0.189 53.831 54.000 0.033 0.000 0.835 132 D CB 1.552 42.342 40.800 -0.016 0.000 1.078 132 D HN 0.609 nan 8.370 nan 0.000 0.495 133 T N 0.215 114.787 114.554 0.030 0.000 3.186 133 T HA 0.130 4.480 4.350 -0.000 0.000 0.257 133 T C 0.557 175.246 174.700 -0.019 0.000 1.029 133 T CA -0.147 61.949 62.100 -0.008 0.000 0.916 133 T CB -0.450 68.478 68.868 0.099 0.000 1.041 133 T HN 0.496 nan 8.240 nan 0.000 0.562 134 H N 0.737 119.669 119.070 -0.229 0.000 2.439 134 H HA 0.450 5.006 4.556 -0.000 0.000 0.230 134 H C -0.841 174.288 175.328 -0.331 0.000 1.420 134 H CA -0.943 54.836 56.048 -0.448 0.000 1.305 134 H CB -0.046 29.291 29.762 -0.709 0.000 1.667 134 H HN 0.190 nan 8.280 nan 0.000 0.515 135 I N 2.141 122.602 120.570 -0.182 0.000 2.353 135 I HA 0.140 4.310 4.170 -0.000 0.000 0.293 135 I C 0.242 176.109 176.117 -0.417 0.000 0.992 135 I CA -0.325 60.739 61.300 -0.392 0.000 1.268 135 I CB 1.149 38.667 38.000 -0.804 0.000 1.387 135 I HN 0.550 nan 8.210 nan 0.000 0.478 136 H N 5.470 124.363 119.070 -0.295 0.000 2.581 136 H HA 0.138 4.694 4.556 -0.000 0.000 0.308 136 H C -0.794 174.444 175.328 -0.150 0.000 1.040 136 H CA -0.330 55.647 56.048 -0.119 0.000 1.231 136 H CB 0.700 30.462 29.762 0.000 0.000 1.396 136 H HN 0.550 nan 8.280 nan 0.000 0.467 137 W N 5.630 127.020 121.300 0.149 0.000 1.564 137 W HA 0.131 4.791 4.660 -0.000 0.000 0.480 137 W C 1.024 177.600 176.519 0.094 0.000 0.699 137 W CA -0.306 57.099 57.345 0.100 0.000 1.985 137 W CB -0.288 29.211 29.460 0.065 0.000 1.738 137 W HN 0.635 nan 8.180 nan 0.000 0.218 138 I N 1.273 122.013 120.570 0.284 0.000 2.480 138 I HA -0.074 4.096 4.170 -0.000 0.000 0.251 138 I C 1.089 177.323 176.117 0.194 0.000 1.124 138 I CA 0.634 62.062 61.300 0.214 0.000 1.444 138 I CB -0.143 37.980 38.000 0.205 0.000 1.098 138 I HN 0.241 nan 8.210 nan 0.000 0.428 139 C N -2.105 117.327 119.300 0.219 0.000 3.171 139 C HA 0.392 4.852 4.460 -0.000 0.000 0.336 139 C C -1.943 173.181 174.990 0.223 0.000 1.198 139 C CA -1.404 57.722 59.018 0.179 0.000 1.319 139 C CB 1.301 29.116 27.740 0.124 0.000 1.682 139 C HN -0.038 nan 8.230 nan 0.000 0.497 140 P HA -0.077 nan 4.420 nan 0.000 0.223 140 P C 1.091 178.480 177.300 0.148 0.000 1.151 140 P CA 1.531 64.720 63.100 0.148 0.000 0.787 140 P CB 0.224 31.960 31.700 0.060 0.000 0.788 141 Q N 0.226 120.095 119.800 0.115 0.000 2.297 141 Q HA -0.146 4.194 4.340 -0.000 0.000 0.208 141 Q C 2.362 178.420 176.000 0.097 0.000 0.981 141 Q CA 1.352 57.207 55.803 0.088 0.000 0.876 141 Q CB -0.871 27.904 28.738 0.062 0.000 0.921 141 Q HN 0.454 nan 8.270 nan 0.000 0.446 142 Q N -0.593 119.288 119.800 0.135 0.000 2.170 142 Q HA -0.124 4.216 4.340 -0.000 0.000 0.203 142 Q C 1.991 178.068 176.000 0.128 0.000 0.976 142 Q CA 1.184 57.052 55.803 0.108 0.000 0.858 142 Q CB -0.199 28.599 28.738 0.100 0.000 0.907 142 Q HN 0.485 nan 8.270 nan 0.000 0.433 143 A N 1.147 124.096 122.820 0.214 0.000 1.933 143 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 143 A C 1.893 179.540 177.584 0.106 0.000 1.175 143 A CA 1.579 53.738 52.037 0.204 0.000 0.628 143 A CB -0.413 18.726 19.000 0.232 0.000 0.814 143 A HN 0.419 nan 8.150 nan 0.000 0.444 144 E N -0.634 119.613 120.200 0.079 0.000 2.107 144 E HA -0.212 4.138 4.350 -0.000 0.000 0.191 144 E C 1.932 178.539 176.600 0.012 0.000 0.982 144 E CA 1.203 57.629 56.400 0.043 0.000 0.809 144 E CB -0.071 29.655 29.700 0.043 0.000 0.756 144 E HN 0.580 nan 8.360 nan 0.000 0.459 145 E N 0.359 120.568 120.200 0.015 0.000 2.077 145 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 145 E C 1.738 178.319 176.600 -0.032 0.000 0.989 145 E CA 1.489 57.880 56.400 -0.015 0.000 0.800 145 E CB -0.244 29.452 29.700 -0.008 0.000 0.746 145 E HN 0.347 nan 8.360 nan 0.000 0.452 146 A N 0.174 122.990 122.820 -0.007 0.000 1.898 146 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 146 A C 2.170 179.749 177.584 -0.009 0.000 1.181 146 A CA 1.341 53.373 52.037 -0.009 0.000 0.620 146 A CB -0.752 18.256 19.000 0.013 0.000 0.819 146 A HN 0.356 nan 8.150 nan 0.000 0.442 147 L N -0.048 121.176 121.223 0.002 0.000 2.012 147 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 147 L C 2.386 179.211 176.870 -0.074 0.000 1.073 147 L CA 1.865 56.701 54.840 -0.007 0.000 0.748 147 L CB -0.472 41.595 42.059 0.014 0.000 0.891 147 L HN 0.153 nan 8.230 nan 0.000 0.431 148 V N -0.364 119.470 119.914 -0.134 0.000 2.490 148 V HA -0.260 3.860 4.120 -0.000 0.000 0.250 148 V C 2.666 178.574 176.094 -0.310 0.000 1.061 148 V CA 1.722 63.823 62.300 -0.331 0.000 1.064 148 V CB -0.810 30.741 31.823 -0.453 0.000 0.670 148 V HN 0.778 nan 8.190 nan 0.000 0.461 149 S N -0.386 115.227 115.700 -0.146 0.000 2.489 149 S HA 0.200 4.670 4.470 -0.000 0.000 0.228 149 S C 1.553 176.177 174.600 0.040 0.000 0.995 149 S CA 0.940 59.114 58.200 -0.043 0.000 0.934 149 S CB 0.583 63.770 63.200 -0.021 0.000 0.771 149 S HN 1.183 nan 8.310 nan 0.000 0.522 150 G N -0.218 108.569 108.800 -0.022 0.000 2.148 150 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.157 150 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.157 150 G C -0.226 174.734 174.900 0.100 0.000 1.012 150 G CA -0.204 44.910 45.100 0.024 0.000 0.677 150 G HN 0.591 nan 8.290 nan 0.000 0.506 151 V N 2.048 122.000 119.914 0.063 0.000 2.370 151 V HA 0.568 4.688 4.120 -0.000 0.000 0.279 151 V C 1.416 177.566 176.094 0.093 0.000 1.029 151 V CA 0.662 63.017 62.300 0.091 0.000 0.870 151 V CB 1.331 33.186 31.823 0.053 0.000 0.984 151 V HN 0.602 nan 8.190 nan 0.000 0.451 152 T N -0.167 114.460 114.554 0.122 0.000 3.023 152 T HA 0.156 4.506 4.350 -0.000 0.000 0.253 152 T C 0.612 175.402 174.700 0.151 0.000 1.038 152 T CA -0.015 62.157 62.100 0.121 0.000 0.962 152 T CB 0.260 69.197 68.868 0.115 0.000 1.018 152 T HN 0.533 nan 8.240 nan 0.000 0.521 153 T N 2.253 116.906 114.554 0.165 0.000 2.886 153 T HA 0.689 5.039 4.350 -0.000 0.000 0.292 153 T C -1.049 173.754 174.700 0.173 0.000 1.012 153 T CA -0.598 61.624 62.100 0.204 0.000 0.982 153 T CB 1.835 70.831 68.868 0.213 0.000 1.018 153 T HN 0.189 nan 8.240 nan 0.000 0.451 154 M N 3.024 122.758 119.600 0.223 0.000 2.204 154 M HA 0.527 5.007 4.480 -0.000 0.000 0.293 154 M C -1.243 175.194 176.300 0.229 0.000 0.994 154 M CA -0.838 54.569 55.300 0.178 0.000 0.925 154 M CB 2.286 35.020 32.600 0.223 0.000 1.577 154 M HN 0.240 nan 8.290 nan 0.000 0.439 155 V N 2.466 122.420 119.914 0.067 0.000 2.495 155 V HA 1.009 5.129 4.120 -0.000 0.000 0.298 155 V C 0.230 176.304 176.094 -0.033 0.000 1.031 155 V CA -0.209 62.118 62.300 0.044 0.000 0.871 155 V CB 1.601 33.336 31.823 -0.147 0.000 0.988 155 V HN 1.072 nan 8.190 nan 0.000 0.432 156 G N 2.875 111.715 108.800 0.067 0.000 2.348 156 G HA2 0.683 4.643 3.960 -0.000 0.000 0.296 156 G HA3 0.683 4.643 3.960 -0.000 0.000 0.296 156 G C -0.670 174.323 174.900 0.154 0.000 1.258 156 G CA 0.098 45.171 45.100 -0.045 0.000 0.868 156 G HN 1.100 nan 8.290 nan 0.000 0.488 157 G N -1.972 106.886 108.800 0.096 0.000 2.690 157 G HA2 0.988 4.948 3.960 -0.000 0.000 0.293 157 G HA3 0.988 4.948 3.960 -0.000 0.000 0.293 157 G C -0.280 174.794 174.900 0.290 0.000 1.399 157 G CA 0.292 45.558 45.100 0.276 0.000 0.890 157 G HN 2.160 nan 8.290 nan 0.000 0.485 158 G N -1.546 107.447 108.800 0.321 0.000 2.336 158 G HA2 0.547 4.507 3.960 -0.000 0.000 0.300 158 G HA3 0.547 4.507 3.960 -0.000 0.000 0.300 158 G C 0.080 175.069 174.900 0.147 0.000 1.375 158 G CA 0.979 46.226 45.100 0.245 0.000 0.885 158 G HN 1.684 nan 8.290 nan 0.000 0.599 159 T N -3.102 111.476 114.554 0.039 0.000 3.130 159 T HA 0.635 4.984 4.350 -0.000 0.000 0.288 159 T C 1.180 175.888 174.700 0.014 0.000 0.936 159 T CA 1.200 63.267 62.100 -0.056 0.000 0.897 159 T CB 0.438 69.036 68.868 -0.451 0.000 1.178 159 T HN 2.707 nan 8.240 nan 0.000 0.543 160 G N 2.444 111.279 108.800 0.058 0.000 2.298 160 G HA2 0.159 4.119 3.960 -0.000 0.000 0.309 160 G HA3 0.159 4.119 3.960 -0.000 0.000 0.309 160 G C -2.928 171.965 174.900 -0.011 0.000 1.279 160 G CA -0.413 44.724 45.100 0.062 0.000 1.042 160 G HN 0.064 nan 8.290 nan 0.000 0.480 161 P HA 0.473 nan 4.420 nan 0.000 0.226 161 P C 0.095 177.171 177.300 -0.373 0.000 1.783 161 P CA 1.006 64.036 63.100 -0.117 0.000 0.980 161 P CB 0.025 31.807 31.700 0.136 0.000 1.967 162 A N 1.063 123.610 122.820 -0.455 0.000 2.320 162 A HA 0.641 4.961 4.320 -0.000 0.000 0.334 162 A C 1.601 178.929 177.584 -0.427 0.000 1.147 162 A CA -0.177 51.676 52.037 -0.307 0.000 0.820 162 A CB 1.068 19.979 19.000 -0.148 0.000 1.218 162 A HN 0.225 nan 8.150 nan 0.000 0.482 163 A N 1.623 124.348 122.820 -0.160 0.000 1.892 163 A HA -0.018 4.302 4.320 -0.000 0.000 0.218 163 A C 2.207 179.753 177.584 -0.065 0.000 1.188 163 A CA 2.675 54.690 52.037 -0.036 0.000 0.631 163 A CB -1.378 17.616 19.000 -0.008 0.000 0.822 163 A HN 1.585 nan 8.150 nan 0.000 0.447 164 G N -1.517 107.262 108.800 -0.035 0.000 2.440 164 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.218 164 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.218 164 G C 1.555 176.520 174.900 0.107 0.000 1.154 164 G CA 1.708 46.839 45.100 0.051 0.000 0.767 164 G HN 0.462 nan 8.290 nan 0.000 0.552 165 T N -0.059 114.536 114.554 0.068 0.000 2.942 165 T HA -0.007 4.343 4.350 -0.000 0.000 0.265 165 T C 2.107 176.948 174.700 0.235 0.000 1.062 165 T CA 0.933 63.124 62.100 0.151 0.000 1.139 165 T CB -0.267 68.638 68.868 0.063 0.000 0.883 165 T HN 0.288 nan 8.240 nan 0.000 0.468 166 H N 1.186 120.313 119.070 0.095 0.000 2.387 166 H HA 0.116 4.672 4.556 -0.000 0.000 0.299 166 H C 2.360 177.696 175.328 0.013 0.000 1.099 166 H CA 1.292 57.358 56.048 0.031 0.000 1.315 166 H CB -0.376 29.395 29.762 0.015 0.000 1.380 166 H HN 0.425 nan 8.280 nan 0.000 0.513 167 A N 0.040 122.934 122.820 0.124 0.000 2.014 167 A HA 0.098 4.418 4.320 -0.000 0.000 0.210 167 A C 1.295 178.967 177.584 0.147 0.000 1.188 167 A CA 0.969 53.026 52.037 0.032 0.000 0.731 167 A CB 0.090 18.932 19.000 -0.263 0.000 0.858 167 A HN 0.441 nan 8.150 nan 0.000 0.464 168 T N -2.709 111.955 114.554 0.183 0.000 2.906 168 T HA 0.462 4.812 4.350 -0.000 0.000 0.295 168 T C -0.145 174.670 174.700 0.191 0.000 1.075 168 T CA 0.216 62.429 62.100 0.188 0.000 1.005 168 T CB 1.362 70.242 68.868 0.019 0.000 1.136 168 T HN 0.305 nan 8.240 nan 0.000 0.498 169 T N 0.050 114.613 114.554 0.015 0.000 3.783 169 T HA 0.472 4.822 4.350 -0.000 0.000 0.262 169 T C 0.000 174.749 174.700 0.081 0.000 1.381 169 T CA -0.685 61.346 62.100 -0.115 0.000 1.155 169 T CB -1.879 66.913 68.868 -0.125 0.000 1.256 169 T HN 0.704 nan 8.240 nan 0.000 0.807 170 C N 1.756 121.141 119.300 0.142 0.000 2.441 170 C HA 0.640 5.100 4.460 -0.000 0.000 0.318 170 C C 0.507 175.548 174.990 0.086 0.000 1.222 170 C CA -0.834 58.249 59.018 0.109 0.000 1.474 170 C CB 1.364 29.160 27.740 0.093 0.000 2.125 170 C HN 0.671 nan 8.230 nan 0.000 0.479 171 T N 4.394 118.987 114.554 0.064 0.000 2.947 171 T HA 0.314 4.664 4.350 -0.000 0.000 0.337 171 T C -2.710 172.010 174.700 0.032 0.000 1.139 171 T CA -0.768 61.369 62.100 0.061 0.000 0.992 171 T CB 0.363 69.293 68.868 0.104 0.000 1.043 171 T HN 0.424 nan 8.240 nan 0.000 0.498 172 P HA 0.372 nan 4.420 nan 0.000 0.270 172 P C 0.728 178.096 177.300 0.114 0.000 1.242 172 P CA 0.675 63.759 63.100 -0.026 0.000 0.768 172 P CB 0.290 31.925 31.700 -0.110 0.000 0.820 173 G N 5.405 114.240 108.800 0.058 0.000 2.856 173 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.674 173 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.674 173 G C -1.978 173.001 174.900 0.131 0.000 1.519 173 G CA -0.780 44.375 45.100 0.091 0.000 0.940 173 G HN 0.266 nan 8.290 nan 0.000 0.564 174 P HA -0.151 nan 4.420 nan 0.000 0.216 174 P C 1.674 179.044 177.300 0.116 0.000 1.157 174 P CA 2.269 65.423 63.100 0.091 0.000 0.880 174 P CB -0.022 31.725 31.700 0.077 0.000 0.791 175 W N -1.052 120.227 121.300 -0.035 0.000 2.354 175 W HA -0.199 4.461 4.660 -0.000 0.000 0.315 175 W C 2.325 178.781 176.519 -0.105 0.000 1.206 175 W CA 1.523 58.804 57.345 -0.106 0.000 1.290 175 W CB -1.134 28.210 29.460 -0.193 0.000 1.152 175 W HN -0.061 nan 8.180 nan 0.000 0.489 176 Y N -0.180 120.271 120.300 0.252 0.000 2.242 176 Y HA -0.208 4.342 4.550 -0.000 0.000 0.291 176 Y C 2.363 178.235 175.900 -0.047 0.000 1.137 176 Y CA 1.605 59.758 58.100 0.090 0.000 1.181 176 Y CB -0.472 38.096 38.460 0.180 0.000 0.989 176 Y HN -0.108 nan 8.280 nan 0.000 0.527 177 I N -1.047 119.605 120.570 0.137 0.000 2.179 177 I HA -0.345 3.825 4.170 -0.000 0.000 0.242 177 I C 2.345 178.437 176.117 -0.041 0.000 1.088 177 I CA 1.386 62.715 61.300 0.049 0.000 1.357 177 I CB -0.457 37.573 38.000 0.050 0.000 1.051 177 I HN 0.069 nan 8.210 nan 0.000 0.409 178 S N 0.253 115.894 115.700 -0.099 0.000 2.368 178 S HA -0.203 4.267 4.470 -0.000 0.000 0.225 178 S C 2.084 176.540 174.600 -0.240 0.000 1.030 178 S CA 1.299 59.399 58.200 -0.167 0.000 0.999 178 S CB -0.269 62.806 63.200 -0.209 0.000 0.844 178 S HN 0.263 nan 8.310 nan 0.000 0.459 179 R N 0.934 121.221 120.500 -0.356 0.000 2.081 179 R HA 0.128 4.468 4.340 -0.000 0.000 0.235 179 R C 2.254 178.430 176.300 -0.206 0.000 1.131 179 R CA 1.277 57.150 56.100 -0.379 0.000 0.960 179 R CB -0.355 29.609 30.300 -0.560 0.000 0.856 179 R HN 0.306 nan 8.270 nan 0.000 0.436 180 M N -0.297 119.222 119.600 -0.134 0.000 2.254 180 M HA -0.032 4.448 4.480 -0.000 0.000 0.265 180 M C 2.037 178.236 176.300 -0.168 0.000 1.066 180 M CA 1.258 56.473 55.300 -0.142 0.000 1.123 180 M CB -0.571 31.966 32.600 -0.104 0.000 1.388 180 M HN 0.159 nan 8.290 nan 0.000 0.425 181 L N -0.396 120.748 121.223 -0.131 0.000 2.093 181 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 181 L C 2.514 179.304 176.870 -0.134 0.000 1.085 181 L CA 1.125 55.895 54.840 -0.117 0.000 0.755 181 L CB -0.493 41.514 42.059 -0.086 0.000 0.904 181 L HN 0.386 nan 8.230 nan 0.000 0.435 182 Q N -0.380 119.332 119.800 -0.146 0.000 2.079 182 Q HA -0.154 4.186 4.340 -0.000 0.000 0.200 182 Q C 2.419 178.341 176.000 -0.130 0.000 0.974 182 Q CA 1.483 57.202 55.803 -0.141 0.000 0.840 182 Q CB -0.207 28.439 28.738 -0.152 0.000 0.898 182 Q HN 0.544 nan 8.270 nan 0.000 0.430 183 A N 1.073 123.807 122.820 -0.143 0.000 1.969 183 A HA -0.051 4.269 4.320 -0.000 0.000 0.218 183 A C 2.279 179.773 177.584 -0.150 0.000 1.169 183 A CA 1.311 53.267 52.037 -0.135 0.000 0.635 183 A CB -0.605 18.305 19.000 -0.151 0.000 0.810 183 A HN 0.380 nan 8.150 nan 0.000 0.445 184 A N 0.117 122.826 122.820 -0.185 0.000 1.978 184 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 184 A C 1.665 179.194 177.584 -0.092 0.000 1.170 184 A CA 1.819 53.745 52.037 -0.185 0.000 0.636 184 A CB -0.547 18.344 19.000 -0.181 0.000 0.810 184 A HN 0.439 nan 8.150 nan 0.000 0.448 185 D N -0.115 120.242 120.400 -0.072 0.000 2.265 185 D HA -0.065 4.575 4.640 -0.000 0.000 0.208 185 D C 1.859 178.234 176.300 0.126 0.000 0.977 185 D CA 1.377 55.377 54.000 0.000 0.000 0.871 185 D CB -0.113 40.615 40.800 -0.120 0.000 0.925 185 D HN 0.411 nan 8.370 nan 0.000 0.485 186 S N -0.423 115.302 115.700 0.042 0.000 2.527 186 S HA 0.093 4.563 4.470 -0.000 0.000 0.222 186 S C 0.985 175.593 174.600 0.012 0.000 0.985 186 S CA -0.018 58.206 58.200 0.039 0.000 0.921 186 S CB 0.478 63.681 63.200 0.006 0.000 0.772 186 S HN 0.186 nan 8.310 nan 0.000 0.529 187 L N 2.950 124.170 121.223 -0.005 0.000 2.307 187 L HA 0.336 4.676 4.340 -0.000 0.000 0.282 187 L C -1.909 174.979 176.870 0.031 0.000 1.051 187 L CA -2.133 52.709 54.840 0.004 0.000 0.804 187 L CB 0.850 42.889 42.059 -0.032 0.000 1.197 187 L HN -0.144 nan 8.230 nan 0.000 0.431 188 P HA 0.025 nan 4.420 nan 0.000 0.259 188 P C -0.493 176.846 177.300 0.065 0.000 1.480 188 P CA 0.273 63.400 63.100 0.045 0.000 0.842 188 P CB -0.082 31.638 31.700 0.034 0.000 1.513 189 V N -3.697 116.268 119.914 0.085 0.000 3.078 189 V HA 0.541 4.661 4.120 -0.000 0.000 0.311 189 V C -0.372 175.793 176.094 0.118 0.000 1.138 189 V CA -1.413 60.957 62.300 0.116 0.000 1.007 189 V CB 1.807 33.731 31.823 0.168 0.000 1.045 189 V HN -0.176 nan 8.190 nan 0.000 0.432 190 N N 1.649 120.437 118.700 0.146 0.000 2.518 190 N HA 0.600 5.340 4.740 -0.000 0.000 0.266 190 N C -0.750 174.917 175.510 0.262 0.000 1.196 190 N CA 0.121 53.262 53.050 0.152 0.000 0.947 190 N CB 1.354 39.997 38.487 0.261 0.000 1.098 190 N HN 0.737 nan 8.380 nan 0.000 0.450 191 I N -0.184 120.527 120.570 0.235 0.000 2.686 191 I HA 0.508 4.678 4.170 -0.000 0.000 0.295 191 I C 0.221 176.569 176.117 0.386 0.000 1.114 191 I CA -0.877 60.609 61.300 0.310 0.000 1.038 191 I CB 2.507 40.597 38.000 0.150 0.000 1.238 191 I HN 0.437 nan 8.210 nan 0.000 0.420 192 G N 5.633 114.659 108.800 0.377 0.000 2.701 192 G HA2 0.727 4.687 3.960 -0.000 0.000 0.300 192 G HA3 0.727 4.687 3.960 -0.000 0.000 0.300 192 G C -1.449 173.603 174.900 0.252 0.000 1.410 192 G CA -0.467 44.819 45.100 0.311 0.000 1.014 192 G HN 0.379 nan 8.290 nan 0.000 0.509 193 L N 1.143 122.484 121.223 0.197 0.000 2.334 193 L HA 0.617 4.957 4.340 -0.000 0.000 0.272 193 L C -0.261 176.694 176.870 0.142 0.000 1.020 193 L CA -0.946 54.011 54.840 0.195 0.000 0.812 193 L CB 2.012 44.157 42.059 0.143 0.000 1.264 193 L HN 0.207 nan 8.230 nan 0.000 0.439 194 L N 1.151 122.456 121.223 0.137 0.000 2.329 194 L HA 0.648 4.988 4.340 -0.000 0.000 0.279 194 L C 0.490 177.404 176.870 0.072 0.000 1.014 194 L CA -0.460 54.434 54.840 0.091 0.000 0.814 194 L CB 1.733 43.837 42.059 0.076 0.000 1.257 194 L HN 0.682 nan 8.230 nan 0.000 0.424 195 G N 1.200 110.023 108.800 0.039 0.000 2.557 195 G HA2 0.293 4.253 3.960 -0.000 0.000 0.302 195 G HA3 0.293 4.253 3.960 -0.000 0.000 0.302 195 G C -0.949 173.929 174.900 -0.036 0.000 1.311 195 G CA -0.581 44.523 45.100 0.007 0.000 1.030 195 G HN 0.520 nan 8.290 nan 0.000 0.509 196 K N 0.086 120.421 120.400 -0.109 0.000 2.284 196 K HA 0.294 4.614 4.320 -0.000 0.000 0.287 196 K C 1.066 177.576 176.600 -0.149 0.000 1.081 196 K CA -0.050 56.109 56.287 -0.213 0.000 0.910 196 K CB 0.534 32.745 32.500 -0.480 0.000 1.088 196 K HN 0.451 nan 8.250 nan 0.000 0.478 197 G N 3.504 112.253 108.800 -0.085 0.000 2.985 197 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.209 197 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.209 197 G C -0.008 174.869 174.900 -0.038 0.000 1.165 197 G CA -0.283 44.786 45.100 -0.052 0.000 0.776 197 G HN 0.614 nan 8.290 nan 0.000 0.541 198 N N 0.842 119.515 118.700 -0.045 0.000 2.605 198 N HA 0.415 5.155 4.740 -0.000 0.000 0.258 198 N C -0.944 174.556 175.510 -0.017 0.000 1.156 198 N CA 0.168 53.223 53.050 0.008 0.000 1.008 198 N CB 1.259 39.812 38.487 0.111 0.000 1.354 198 N HN 0.021 nan 8.380 nan 0.000 0.509 199 V N -0.683 119.222 119.914 -0.014 0.000 3.147 199 V HA 0.305 4.425 4.120 -0.000 0.000 0.299 199 V C 0.221 176.311 176.094 -0.007 0.000 1.302 199 V CA -0.936 61.355 62.300 -0.015 0.000 1.015 199 V CB 2.092 33.895 31.823 -0.033 0.000 1.086 199 V HN 0.283 nan 8.190 nan 0.000 0.437 200 S N 0.866 116.565 115.700 -0.003 0.000 2.575 200 S HA 0.174 4.644 4.470 -0.000 0.000 0.237 200 S C 0.151 174.748 174.600 -0.005 0.000 0.975 200 S CA 0.021 58.220 58.200 -0.002 0.000 0.960 200 S CB -0.049 63.152 63.200 0.003 0.000 0.822 200 S HN 0.786 nan 8.310 nan 0.000 0.472 201 Q N 1.541 121.336 119.800 -0.008 0.000 2.363 201 Q HA 0.421 4.761 4.340 -0.000 0.000 0.265 201 Q C -2.473 173.520 176.000 -0.012 0.000 1.032 201 Q CA -2.134 53.663 55.803 -0.009 0.000 0.746 201 Q CB 1.515 30.248 28.738 -0.009 0.000 1.237 201 Q HN -0.094 nan 8.270 nan 0.000 0.475 202 P HA -0.172 nan 4.420 nan 0.000 0.215 202 P C 0.220 177.513 177.300 -0.010 0.000 1.157 202 P CA 1.319 64.413 63.100 -0.011 0.000 0.874 202 P CB 0.367 32.062 31.700 -0.009 0.000 0.790 203 D N -0.869 119.526 120.400 -0.009 0.000 2.221 203 D HA -0.126 4.514 4.640 -0.000 0.000 0.204 203 D C 1.882 178.176 176.300 -0.009 0.000 0.982 203 D CA 1.453 55.448 54.000 -0.008 0.000 0.857 203 D CB -0.546 40.251 40.800 -0.006 0.000 0.934 203 D HN 0.123 nan 8.370 nan 0.000 0.475 204 A N 0.096 122.908 122.820 -0.014 0.000 2.066 204 A HA -0.038 4.282 4.320 -0.000 0.000 0.218 204 A C 2.288 179.858 177.584 -0.022 0.000 1.157 204 A CA 0.584 52.610 52.037 -0.019 0.000 0.670 204 A CB -0.308 18.677 19.000 -0.026 0.000 0.804 204 A HN 0.199 nan 8.150 nan 0.000 0.453 205 L N -1.685 119.526 121.223 -0.020 0.000 2.168 205 L HA -0.002 4.338 4.340 -0.000 0.000 0.203 205 L C 2.711 179.575 176.870 -0.010 0.000 1.078 205 L CA 0.576 55.404 54.840 -0.020 0.000 0.780 205 L CB -0.452 41.595 42.059 -0.021 0.000 0.939 205 L HN 0.283 nan 8.230 nan 0.000 0.451 206 R N 0.445 120.941 120.500 -0.007 0.000 2.091 206 R HA -0.185 4.155 4.340 -0.000 0.000 0.238 206 R C 2.108 178.409 176.300 0.001 0.000 1.136 206 R CA 1.462 57.561 56.100 -0.003 0.000 0.959 206 R CB -0.288 30.010 30.300 -0.003 0.000 0.856 206 R HN 0.441 nan 8.270 nan 0.000 0.437 207 E N 0.727 120.927 120.200 0.000 0.000 2.058 207 E HA -0.251 4.099 4.350 -0.000 0.000 0.194 207 E C 2.166 178.772 176.600 0.010 0.000 0.997 207 E CA 1.342 57.745 56.400 0.005 0.000 0.801 207 E CB -0.047 29.656 29.700 0.005 0.000 0.746 207 E HN 0.446 nan 8.360 nan 0.000 0.450 208 Q N 0.236 120.040 119.800 0.007 0.000 2.084 208 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 208 Q C 2.412 178.422 176.000 0.017 0.000 0.978 208 Q CA 1.351 57.161 55.803 0.012 0.000 0.844 208 Q CB -0.022 28.717 28.738 0.001 0.000 0.898 208 Q HN 0.166 nan 8.270 nan 0.000 0.426 209 V N 0.985 120.907 119.914 0.013 0.000 2.358 209 V HA -0.235 3.885 4.120 -0.000 0.000 0.246 209 V C 2.254 178.360 176.094 0.020 0.000 1.047 209 V CA 1.737 64.048 62.300 0.019 0.000 1.035 209 V CB -0.928 30.904 31.823 0.014 0.000 0.658 209 V HN 0.370 nan 8.190 nan 0.000 0.452 210 A N -0.044 122.785 122.820 0.014 0.000 2.015 210 A HA 0.008 4.328 4.320 -0.000 0.000 0.219 210 A C 2.312 179.904 177.584 0.013 0.000 1.163 210 A CA 1.694 53.738 52.037 0.013 0.000 0.646 210 A CB -0.519 18.486 19.000 0.009 0.000 0.806 210 A HN 0.563 nan 8.150 nan 0.000 0.448 211 A N -2.092 120.737 122.820 0.014 0.000 2.067 211 A HA 0.390 4.710 4.320 -0.000 0.000 0.217 211 A C 1.777 179.368 177.584 0.012 0.000 1.156 211 A CA 1.671 53.715 52.037 0.012 0.000 0.683 211 A CB -0.415 18.596 19.000 0.018 0.000 0.808 211 A HN 1.615 nan 8.150 nan 0.000 0.455 212 G N -1.803 107.010 108.800 0.023 0.000 2.672 212 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.197 212 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.197 212 G C 0.332 175.264 174.900 0.053 0.000 0.995 212 G CA 0.045 45.164 45.100 0.032 0.000 0.754 212 G HN 1.394 nan 8.290 nan 0.000 0.505 213 V N 1.229 121.174 119.914 0.052 0.000 2.763 213 V HA 0.534 4.654 4.120 -0.000 0.000 0.306 213 V C 1.734 177.875 176.094 0.078 0.000 1.059 213 V CA 0.298 62.639 62.300 0.069 0.000 1.138 213 V CB 0.978 32.836 31.823 0.057 0.000 0.940 213 V HN 0.834 nan 8.190 nan 0.000 0.489 214 I N 0.563 121.194 120.570 0.102 0.000 3.883 214 I HA 0.730 4.900 4.170 -0.000 0.000 0.326 214 I C 0.721 176.903 176.117 0.108 0.000 1.283 214 I CA 0.441 61.806 61.300 0.109 0.000 1.161 214 I CB -0.256 37.824 38.000 0.133 0.000 1.012 214 I HN 0.886 nan 8.210 nan 0.000 0.421 215 G N 0.776 109.632 108.800 0.093 0.000 2.506 215 G HA2 0.627 4.587 3.960 -0.000 0.000 0.292 215 G HA3 0.627 4.587 3.960 -0.000 0.000 0.292 215 G C -1.629 173.296 174.900 0.043 0.000 1.425 215 G CA -0.710 44.440 45.100 0.082 0.000 0.788 215 G HN 0.082 nan 8.290 nan 0.000 0.490 219 H N 5.582 124.741 119.070 0.149 0.000 2.637 219 H HA 0.392 4.948 4.556 -0.000 0.000 0.363 219 H C 0.604 175.937 175.328 0.009 0.000 1.131 219 H CA -0.310 55.792 56.048 0.089 0.000 1.183 219 H CB 2.363 32.228 29.762 0.171 0.000 1.637 219 H HN 0.838 nan 8.280 nan 0.000 0.531 220 E N 2.222 122.323 120.200 -0.164 0.000 2.209 220 E HA -0.192 4.158 4.350 -0.000 0.000 0.196 220 E C 0.097 176.728 176.600 0.051 0.000 0.993 220 E CA 1.551 57.922 56.400 -0.049 0.000 0.819 220 E CB 0.161 29.778 29.700 -0.138 0.000 0.745 220 E HN 0.468 nan 8.360 nan 0.000 0.477 221 D N 0.176 120.672 120.400 0.160 0.000 2.263 221 D HA -0.116 4.524 4.640 -0.000 0.000 0.208 221 D C 0.632 176.790 176.300 -0.236 0.000 0.971 221 D CA 0.976 54.885 54.000 -0.151 0.000 0.867 221 D CB -0.198 40.337 40.800 -0.440 0.000 0.929 221 D HN 0.482 nan 8.370 nan 0.000 0.492 222 W N 0.226 121.557 121.300 0.052 0.000 3.220 222 W HA 0.402 5.062 4.660 0.000 0.000 0.328 222 W C 0.584 177.115 176.519 0.020 0.000 1.205 222 W CA -0.007 57.351 57.345 0.022 0.000 1.773 222 W CB 0.835 30.309 29.460 0.022 0.000 1.086 222 W HN -0.069 nan 8.180 nan 0.000 0.622 223 G N 1.219 110.134 108.800 0.193 0.000 2.721 223 G HA2 0.091 4.051 3.960 -0.000 0.000 0.462 223 G HA3 0.091 4.051 3.960 -0.000 0.000 0.462 223 G C -0.262 174.695 174.900 0.096 0.000 1.062 223 G CA -0.634 44.533 45.100 0.112 0.000 1.233 223 G HN 0.391 nan 8.290 nan 0.000 0.545 224 A N 2.257 125.113 122.820 0.061 0.000 3.118 224 A HA 0.668 4.988 4.320 -0.000 0.000 0.256 224 A C 1.266 178.870 177.584 0.035 0.000 1.667 224 A CA 0.860 52.925 52.037 0.046 0.000 1.338 224 A CB -0.531 18.482 19.000 0.021 0.000 1.127 224 A HN 2.032 nan 8.150 nan 0.000 0.634 225 T N -2.514 112.062 114.554 0.037 0.000 2.918 225 T HA 0.448 4.798 4.350 -0.000 0.000 0.283 225 T C -1.848 172.868 174.700 0.028 0.000 1.001 225 T CA -1.714 60.404 62.100 0.029 0.000 1.041 225 T CB 1.177 70.059 68.868 0.023 0.000 1.028 225 T HN 0.076 nan 8.240 nan 0.000 0.511 226 P HA -0.063 nan 4.420 nan 0.000 0.216 226 P C 1.628 178.934 177.300 0.009 0.000 1.150 226 P CA 1.474 64.584 63.100 0.016 0.000 0.837 226 P CB -0.237 31.469 31.700 0.010 0.000 0.786 227 A N -0.123 122.703 122.820 0.009 0.000 1.877 227 A HA -0.106 4.214 4.320 -0.000 0.000 0.216 227 A C 2.314 179.902 177.584 0.006 0.000 1.186 227 A CA 2.097 54.137 52.037 0.006 0.000 0.620 227 A CB -1.592 17.412 19.000 0.006 0.000 0.822 227 A HN 0.191 nan 8.150 nan 0.000 0.443 228 A N -0.015 122.813 122.820 0.013 0.000 1.877 228 A HA -0.086 4.233 4.320 -0.000 0.000 0.216 228 A C 2.133 179.721 177.584 0.006 0.000 1.186 228 A CA 1.548 53.593 52.037 0.013 0.000 0.620 228 A CB -0.679 18.338 19.000 0.029 0.000 0.822 228 A HN 0.482 nan 8.150 nan 0.000 0.443 229 I N -0.123 120.452 120.570 0.009 0.000 2.163 229 I HA -0.295 3.875 4.170 -0.000 0.000 0.243 229 I C 2.349 178.461 176.117 -0.009 0.000 1.085 229 I CA 2.044 63.343 61.300 -0.001 0.000 1.347 229 I CB -0.424 37.579 38.000 0.004 0.000 1.044 229 I HN 0.445 nan 8.210 nan 0.000 0.408 230 D N 0.039 120.435 120.400 -0.006 0.000 2.117 230 D HA -0.235 4.405 4.640 -0.000 0.000 0.197 230 D C 2.294 178.587 176.300 -0.011 0.000 0.987 230 D CA 1.293 55.287 54.000 -0.010 0.000 0.829 230 D CB -0.186 40.609 40.800 -0.007 0.000 0.961 230 D HN 0.415 nan 8.370 nan 0.000 0.460 231 C N 0.013 119.308 119.300 -0.009 0.000 2.432 231 C HA 0.041 4.501 4.460 -0.000 0.000 0.277 231 C C 2.897 177.879 174.990 -0.014 0.000 1.249 231 C CA 1.565 60.577 59.018 -0.010 0.000 1.725 231 C CB -1.482 26.253 27.740 -0.008 0.000 2.028 231 C HN 0.445 nan 8.230 nan 0.000 0.477 232 A N 0.110 122.920 122.820 -0.016 0.000 1.902 232 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 232 A C 2.184 179.753 177.584 -0.025 0.000 1.181 232 A CA 1.825 53.849 52.037 -0.022 0.000 0.623 232 A CB -0.726 18.259 19.000 -0.025 0.000 0.818 232 A HN 0.676 nan 8.150 nan 0.000 0.443 233 L N -0.790 120.418 121.223 -0.026 0.000 2.141 233 L HA -0.143 4.197 4.340 -0.000 0.000 0.209 233 L C 2.757 179.613 176.870 -0.024 0.000 1.094 233 L CA 1.616 56.438 54.840 -0.029 0.000 0.763 233 L CB -0.728 41.312 42.059 -0.030 0.000 0.908 233 L HN 0.353 nan 8.230 nan 0.000 0.437 234 T N -0.687 113.856 114.554 -0.019 0.000 2.708 234 T HA -0.150 4.200 4.350 -0.000 0.000 0.266 234 T C 1.976 176.667 174.700 -0.015 0.000 1.037 234 T CA 1.370 63.461 62.100 -0.016 0.000 1.146 234 T CB -0.163 68.697 68.868 -0.013 0.000 0.865 234 T HN 0.063 nan 8.240 nan 0.000 0.435 235 V N 1.656 121.561 119.914 -0.015 0.000 2.427 235 V HA -0.116 4.004 4.120 -0.000 0.000 0.248 235 V C 2.875 178.960 176.094 -0.014 0.000 1.051 235 V CA 1.520 63.812 62.300 -0.013 0.000 1.048 235 V CB -1.192 30.624 31.823 -0.013 0.000 0.666 235 V HN 0.514 nan 8.190 nan 0.000 0.456 236 A N -0.128 122.680 122.820 -0.019 0.000 1.902 236 A HA -0.269 4.051 4.320 -0.000 0.000 0.217 236 A C 2.005 179.576 177.584 -0.021 0.000 1.181 236 A CA 2.088 54.112 52.037 -0.021 0.000 0.623 236 A CB -0.633 18.348 19.000 -0.031 0.000 0.818 236 A HN 0.509 nan 8.150 nan 0.000 0.443 237 D N -0.280 120.107 120.400 -0.022 0.000 2.178 237 D HA -0.140 4.500 4.640 -0.000 0.000 0.201 237 D C 2.023 178.313 176.300 -0.016 0.000 0.980 237 D CA 1.568 55.555 54.000 -0.021 0.000 0.842 237 D CB -0.206 40.582 40.800 -0.020 0.000 0.948 237 D HN 0.879 nan 8.370 nan 0.000 0.472 238 E N -0.674 119.518 120.200 -0.013 0.000 2.340 238 E HA 0.030 4.380 4.350 -0.000 0.000 0.194 238 E C 1.498 178.094 176.600 -0.008 0.000 0.996 238 E CA 0.261 56.655 56.400 -0.010 0.000 0.869 238 E CB -0.018 29.677 29.700 -0.009 0.000 0.835 238 E HN 0.202 nan 8.360 nan 0.000 0.493 239 M N 0.978 120.574 119.600 -0.007 0.000 2.346 239 M HA 0.143 4.623 4.480 -0.000 0.000 0.280 239 M C -0.351 175.949 176.300 -0.000 0.000 1.075 239 M CA -0.123 55.176 55.300 -0.002 0.000 0.989 239 M CB 0.431 33.032 32.600 0.002 0.000 1.447 239 M HN -0.112 nan 8.290 nan 0.000 0.511 240 D N 3.000 123.396 120.400 -0.007 0.000 2.737 240 D HA -0.157 4.483 4.640 -0.000 0.000 0.238 240 D C -1.084 175.214 176.300 -0.002 0.000 1.157 240 D CA 0.656 54.650 54.000 -0.010 0.000 0.694 240 D CB -0.763 40.030 40.800 -0.011 0.000 1.021 240 D HN 0.527 nan 8.370 nan 0.000 0.420 241 I N -2.438 118.129 120.570 -0.005 0.000 3.042 241 I HA 0.710 4.880 4.170 -0.000 0.000 0.310 241 I C -0.113 175.991 176.117 -0.021 0.000 1.117 241 I CA -1.190 60.113 61.300 0.005 0.000 1.003 241 I CB 1.584 39.596 38.000 0.021 0.000 1.228 241 I HN -0.122 nan 8.210 nan 0.000 0.443 242 Q N 1.685 121.472 119.800 -0.022 0.000 2.214 242 Q HA 0.736 5.075 4.340 -0.000 0.000 0.251 242 Q C -1.450 174.512 176.000 -0.063 0.000 0.936 242 Q CA -0.603 55.145 55.803 -0.091 0.000 0.894 242 Q CB 1.914 30.497 28.738 -0.257 0.000 1.252 242 Q HN 0.652 nan 8.270 nan 0.000 0.448 243 V N 2.201 122.053 119.914 -0.104 0.000 2.459 243 V HA 0.855 4.975 4.120 -0.000 0.000 0.295 243 V C -0.655 175.316 176.094 -0.205 0.000 1.029 243 V CA -0.690 61.540 62.300 -0.117 0.000 0.874 243 V CB 1.416 33.180 31.823 -0.098 0.000 0.985 243 V HN 0.865 nan 8.190 nan 0.000 0.438 244 A N 4.916 127.537 122.820 -0.331 0.000 2.330 244 A HA 0.895 5.215 4.320 -0.000 0.000 0.327 244 A C -1.133 176.078 177.584 -0.622 0.000 1.155 244 A CA -0.492 51.091 52.037 -0.756 0.000 0.803 244 A CB 1.266 19.481 19.000 -1.308 0.000 1.208 244 A HN 0.816 nan 8.150 nan 0.000 0.477 245 L N 1.850 122.718 121.223 -0.591 0.000 2.365 245 L HA 0.582 4.922 4.340 -0.000 0.000 0.273 245 L C -0.540 176.225 176.870 -0.175 0.000 1.000 245 L CA -0.187 54.483 54.840 -0.284 0.000 0.819 245 L CB 1.700 43.667 42.059 -0.154 0.000 1.284 245 L HN 0.808 nan 8.230 nan 0.000 0.418 246 H N 3.208 122.194 119.070 -0.140 0.000 2.866 246 H HA 0.528 5.084 4.556 -0.000 0.000 0.287 246 H C -0.395 174.889 175.328 -0.074 0.000 1.106 246 H CA -0.422 55.600 56.048 -0.042 0.000 1.396 246 H CB 0.889 30.581 29.762 -0.118 0.000 1.469 246 H HN 0.842 nan 8.280 nan 0.000 0.500 247 S N 2.614 118.422 115.700 0.180 0.000 2.606 247 S HA -0.063 4.407 4.470 -0.000 0.000 0.257 247 S C 0.449 175.016 174.600 -0.055 0.000 1.327 247 S CA -0.813 57.413 58.200 0.042 0.000 0.984 247 S CB 0.923 64.142 63.200 0.031 0.000 0.941 247 S HN 0.745 nan 8.310 nan 0.000 0.576 248 D N 0.532 120.734 120.400 -0.330 0.000 2.398 248 D HA 0.158 4.798 4.640 -0.000 0.000 0.250 248 D C 0.989 177.038 176.300 -0.418 0.000 1.287 248 D CA 0.104 53.907 54.000 -0.330 0.000 0.992 248 D CB -0.109 40.540 40.800 -0.253 0.000 1.071 248 D HN 0.552 nan 8.370 nan 0.000 0.514 249 T N 3.677 118.167 114.554 -0.108 0.000 2.788 249 T HA -0.119 4.231 4.350 -0.000 0.000 0.268 249 T C 1.969 176.719 174.700 0.083 0.000 1.044 249 T CA 0.673 62.786 62.100 0.023 0.000 1.139 249 T CB 0.028 68.998 68.868 0.170 0.000 0.867 249 T HN 0.438 nan 8.240 nan 0.000 0.454 250 L N 0.874 122.122 121.223 0.042 0.000 2.456 250 L HA 0.012 4.352 4.340 -0.000 0.000 0.224 250 L C 0.697 177.613 176.870 0.077 0.000 1.148 250 L CA 0.302 55.169 54.840 0.044 0.000 0.825 250 L CB -0.705 41.329 42.059 -0.041 0.000 0.937 250 L HN 0.294 nan 8.230 nan 0.000 0.450 251 N N 0.075 118.834 118.700 0.099 0.000 2.741 251 N HA -0.262 4.478 4.740 -0.000 0.000 0.250 251 N C 1.124 176.615 175.510 -0.031 0.000 1.115 251 N CA 1.265 54.401 53.050 0.144 0.000 0.724 251 N CB -1.059 37.588 38.487 0.268 0.000 1.090 251 N HN 0.579 nan 8.380 nan 0.000 0.558 252 E N 0.533 120.721 120.200 -0.021 0.000 2.072 252 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 252 E C 1.505 178.067 176.600 -0.064 0.000 0.985 252 E CA 1.720 58.092 56.400 -0.047 0.000 0.801 252 E CB 0.114 29.792 29.700 -0.038 0.000 0.750 252 E HN 0.528 nan 8.360 nan 0.000 0.452 253 S N -1.186 114.490 115.700 -0.040 0.000 2.517 253 S HA 0.385 4.855 4.470 -0.000 0.000 0.214 253 S C 0.610 175.166 174.600 -0.074 0.000 0.991 253 S CA 0.074 58.250 58.200 -0.039 0.000 0.906 253 S CB 1.215 64.414 63.200 -0.001 0.000 0.789 253 S HN 0.421 nan 8.310 nan 0.000 0.513 254 G N -0.069 108.660 108.800 -0.119 0.000 2.341 254 G HA2 0.386 4.346 3.960 -0.000 0.000 0.293 254 G HA3 0.386 4.346 3.960 -0.000 0.000 0.293 254 G C -1.198 173.557 174.900 -0.242 0.000 1.298 254 G CA -1.135 43.816 45.100 -0.249 0.000 0.868 254 G HN 0.173 nan 8.290 nan 0.000 0.540 255 F N -1.063 118.855 119.950 -0.054 0.000 2.403 255 F HA 0.522 5.049 4.527 -0.000 0.000 0.326 255 F C 1.864 177.255 175.800 -0.680 0.000 1.099 255 F CA -0.059 57.809 58.000 -0.220 0.000 1.036 255 F CB 1.405 40.341 39.000 -0.107 0.000 1.336 255 F HN 0.314 nan 8.300 nan 0.000 0.497 256 V N 1.532 121.094 119.914 -0.588 0.000 2.380 256 V HA -0.263 3.857 4.120 -0.000 0.000 0.251 256 V C 2.260 178.211 176.094 -0.239 0.000 1.063 256 V CA 2.533 64.476 62.300 -0.595 0.000 1.055 256 V CB -0.605 31.103 31.823 -0.192 0.000 0.657 256 V HN 0.842 nan 8.190 nan 0.000 0.455 257 E N -0.932 119.210 120.200 -0.096 0.000 2.153 257 E HA -0.268 4.082 4.350 -0.000 0.000 0.194 257 E C 1.705 178.281 176.600 -0.039 0.000 0.988 257 E CA 1.795 58.173 56.400 -0.037 0.000 0.811 257 E CB -0.709 29.002 29.700 0.019 0.000 0.746 257 E HN 0.689 nan 8.360 nan 0.000 0.466 258 D N 0.878 121.253 120.400 -0.041 0.000 2.123 258 D HA -0.071 4.569 4.640 -0.000 0.000 0.200 258 D C 1.813 178.099 176.300 -0.024 0.000 0.976 258 D CA 1.652 55.636 54.000 -0.027 0.000 0.831 258 D CB -0.107 40.676 40.800 -0.029 0.000 0.974 258 D HN 0.206 nan 8.370 nan 0.000 0.469 259 T N 1.629 116.165 114.554 -0.030 0.000 2.708 259 T HA -0.080 4.270 4.350 -0.000 0.000 0.266 259 T C 2.275 176.960 174.700 -0.025 0.000 1.037 259 T CA 0.536 62.656 62.100 0.032 0.000 1.146 259 T CB -0.251 68.712 68.868 0.159 0.000 0.865 259 T HN 0.087 nan 8.240 nan 0.000 0.435 260 L N 0.679 121.856 121.223 -0.078 0.000 2.083 260 L HA -0.115 4.225 4.340 -0.000 0.000 0.209 260 L C 2.964 179.776 176.870 -0.096 0.000 1.083 260 L CA 1.189 55.946 54.840 -0.140 0.000 0.752 260 L CB -0.593 41.321 42.059 -0.240 0.000 0.899 260 L HN 0.243 nan 8.230 nan 0.000 0.433 261 A N -0.122 122.664 122.820 -0.057 0.000 1.930 261 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 261 A C 2.523 180.092 177.584 -0.025 0.000 1.175 261 A CA 1.613 53.631 52.037 -0.031 0.000 0.627 261 A CB -0.632 18.359 19.000 -0.015 0.000 0.815 261 A HN 0.396 nan 8.150 nan 0.000 0.443 262 A N -0.043 122.765 122.820 -0.021 0.000 1.930 262 A HA -0.049 4.271 4.320 -0.000 0.000 0.217 262 A C 2.071 179.642 177.584 -0.021 0.000 1.175 262 A CA 1.418 53.447 52.037 -0.014 0.000 0.627 262 A CB -0.589 18.410 19.000 -0.002 0.000 0.815 262 A HN 0.495 nan 8.150 nan 0.000 0.443 263 I N -0.383 120.167 120.570 -0.033 0.000 2.361 263 I HA -0.120 4.050 4.170 -0.000 0.000 0.251 263 I C 1.749 177.843 176.117 -0.037 0.000 1.133 263 I CA 0.932 62.207 61.300 -0.041 0.000 1.413 263 I CB -0.673 37.290 38.000 -0.063 0.000 1.073 263 I HN 0.481 nan 8.210 nan 0.000 0.424 264 G N 1.151 109.930 108.800 -0.035 0.000 2.366 264 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.299 264 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.299 264 G C 0.987 175.876 174.900 -0.018 0.000 1.020 264 G CA 0.428 45.514 45.100 -0.023 0.000 1.026 264 G HN 0.925 nan 8.290 nan 0.000 0.512 265 G N -1.648 107.140 108.800 -0.021 0.000 2.175 265 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.265 265 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.265 265 G C 0.584 175.474 174.900 -0.016 0.000 0.979 265 G CA 1.148 46.244 45.100 -0.008 0.000 0.663 265 G HN 1.026 nan 8.290 nan 0.000 0.533 266 R N 0.376 120.860 120.500 -0.027 0.000 2.500 266 R HA 0.485 4.825 4.340 -0.000 0.000 0.275 266 R C 0.474 176.750 176.300 -0.040 0.000 1.051 266 R CA -0.098 55.983 56.100 -0.031 0.000 1.088 266 R CB 0.499 30.780 30.300 -0.032 0.000 1.063 266 R HN 0.151 nan 8.270 nan 0.000 0.511 267 T N 2.890 117.418 114.554 -0.045 0.000 2.902 267 T HA 0.213 4.563 4.350 -0.000 0.000 0.301 267 T C 0.136 174.795 174.700 -0.069 0.000 1.012 267 T CA 0.424 62.490 62.100 -0.057 0.000 1.151 267 T CB 0.075 68.904 68.868 -0.064 0.000 0.946 267 T HN 0.387 nan 8.240 nan 0.000 0.542 268 I N 1.623 122.150 120.570 -0.073 0.000 2.787 268 I HA 0.230 4.400 4.170 -0.000 0.000 0.294 268 I C -0.909 175.178 176.117 -0.051 0.000 1.365 268 I CA -0.851 60.402 61.300 -0.078 0.000 1.029 268 I CB 2.146 40.098 38.000 -0.080 0.000 1.313 268 I HN 0.755 nan 8.210 nan 0.000 0.431 269 H N 5.524 124.469 119.070 -0.209 0.000 2.597 269 H HA 0.413 4.969 4.556 -0.000 0.000 0.303 269 H C -0.781 174.407 175.328 -0.234 0.000 1.057 269 H CA -0.572 55.357 56.048 -0.199 0.000 1.261 269 H CB 0.911 30.544 29.762 -0.215 0.000 1.397 269 H HN 0.595 nan 8.280 nan 0.000 0.461 270 T N 3.422 118.019 114.554 0.073 0.000 2.749 270 T HA 0.178 4.528 4.350 -0.000 0.000 0.295 270 T C -0.035 174.653 174.700 -0.020 0.000 0.936 270 T CA -0.774 61.279 62.100 -0.078 0.000 1.060 270 T CB 0.293 69.116 68.868 -0.074 0.000 0.904 270 T HN 0.202 nan 8.240 nan 0.000 0.500 271 F N 3.819 123.503 119.950 -0.444 0.000 2.418 271 F HA 0.245 4.772 4.527 -0.000 0.000 0.341 271 F C 1.524 176.840 175.800 -0.805 0.000 1.120 271 F CA -0.967 56.654 58.000 -0.632 0.000 1.232 271 F CB -0.136 38.363 39.000 -0.835 0.000 1.175 271 F HN 0.974 nan 8.300 nan 0.000 0.569 272 H N -0.824 118.374 119.070 0.213 0.000 2.166 272 H HA -0.210 4.346 4.556 -0.000 0.000 0.323 272 H C 0.729 176.107 175.328 0.082 0.000 0.936 272 H CA 0.452 56.577 56.048 0.128 0.000 1.073 272 H CB -2.480 27.332 29.762 0.083 0.000 1.592 272 H HN 0.521 nan 8.280 nan 0.000 0.346 273 T N -0.964 113.631 114.554 0.069 0.000 2.918 273 T HA -0.240 4.110 4.350 -0.000 0.000 0.271 273 T C 1.718 176.551 174.700 0.221 0.000 1.104 273 T CA 1.306 63.408 62.100 0.004 0.000 1.114 273 T CB 0.031 68.647 68.868 -0.419 0.000 0.855 273 T HN 0.711 nan 8.240 nan 0.000 0.518 274 E N 0.804 121.220 120.200 0.359 0.000 2.208 274 E HA -0.060 4.290 4.350 -0.000 0.000 0.193 274 E C 1.905 178.581 176.600 0.126 0.000 0.988 274 E CA 1.123 57.690 56.400 0.278 0.000 0.828 274 E CB -0.257 29.575 29.700 0.219 0.000 0.763 274 E HN 0.588 nan 8.360 nan 0.000 0.478 275 G N 0.033 108.906 108.800 0.121 0.000 2.339 275 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.209 275 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.209 275 G C 1.403 176.262 174.900 -0.070 0.000 1.015 275 G CA 0.592 45.706 45.100 0.024 0.000 0.635 275 G HN 0.547 nan 8.290 nan 0.000 0.499 276 A N 0.824 123.611 122.820 -0.055 0.000 1.917 276 A HA 0.280 4.600 4.320 -0.000 0.000 0.219 276 A C 2.666 180.185 177.584 -0.108 0.000 1.182 276 A CA 2.560 54.562 52.037 -0.057 0.000 0.633 276 A CB -0.980 18.019 19.000 -0.002 0.000 0.819 276 A HN 1.696 nan 8.150 nan 0.000 0.448 277 G N -1.683 106.969 108.800 -0.247 0.000 2.744 277 G HA2 0.434 4.394 3.960 -0.000 0.000 0.211 277 G HA3 0.434 4.394 3.960 -0.000 0.000 0.211 277 G C 0.684 175.033 174.900 -0.918 0.000 1.143 277 G CA 0.805 45.590 45.100 -0.524 0.000 0.788 277 G HN 1.656 nan 8.290 nan 0.000 0.534 278 G N -2.297 106.067 108.800 -0.726 0.000 2.326 278 G HA2 0.578 4.538 3.960 -0.000 0.000 0.478 278 G HA3 0.578 4.538 3.960 -0.000 0.000 0.478 278 G C -0.277 174.437 174.900 -0.310 0.000 1.551 278 G CA -0.031 44.730 45.100 -0.564 0.000 0.946 278 G HN 1.825 nan 8.290 nan 0.000 0.671 279 G N 0.284 109.058 108.800 -0.043 0.000 2.334 279 G HA2 0.461 4.421 3.960 -0.000 0.000 0.566 279 G HA3 0.461 4.421 3.960 -0.000 0.000 0.566 279 G C -0.445 174.476 174.900 0.034 0.000 1.413 279 G CA -0.324 44.790 45.100 0.024 0.000 0.993 279 G HN 1.514 nan 8.290 nan 0.000 0.642 280 H N 0.042 119.169 119.070 0.095 0.000 3.232 280 H HA 0.217 4.773 4.556 -0.000 0.000 0.276 280 H C 1.144 176.509 175.328 0.061 0.000 0.882 280 H CA 1.503 57.610 56.048 0.099 0.000 1.415 280 H CB 0.299 30.125 29.762 0.107 0.000 1.405 280 H HN 1.016 nan 8.280 nan 0.000 0.543 281 A N 7.124 130.045 122.820 0.167 0.000 2.320 281 A HA 0.278 4.598 4.320 -0.000 0.000 0.287 281 A C -1.489 176.128 177.584 0.054 0.000 1.181 281 A CA -1.179 50.888 52.037 0.049 0.000 0.831 281 A CB 0.631 19.653 19.000 0.036 0.000 1.102 281 A HN 0.539 nan 8.150 nan 0.000 0.513 282 P HA 0.168 nan 4.420 nan 0.000 0.290 282 P C -0.647 176.600 177.300 -0.089 0.000 1.519 282 P CA 0.141 63.121 63.100 -0.200 0.000 1.189 282 P CB 0.536 31.892 31.700 -0.573 0.000 1.569 283 D N -0.699 119.704 120.400 0.005 0.000 2.643 283 D HA 0.040 4.680 4.640 -0.000 0.000 0.244 283 D C 1.239 177.582 176.300 0.071 0.000 1.257 283 D CA -0.663 53.356 54.000 0.032 0.000 0.831 283 D CB -0.492 40.320 40.800 0.020 0.000 1.043 283 D HN -0.031 nan 8.370 nan 0.000 0.488 284 I N 0.414 121.045 120.570 0.101 0.000 2.454 284 I HA -0.068 4.102 4.170 -0.000 0.000 0.254 284 I C 1.654 177.834 176.117 0.106 0.000 1.156 284 I CA 0.767 62.143 61.300 0.127 0.000 1.433 284 I CB -0.144 37.942 38.000 0.144 0.000 1.082 284 I HN 0.220 nan 8.210 nan 0.000 0.432 285 I N 0.463 121.102 120.570 0.114 0.000 2.423 285 I HA -0.324 3.846 4.170 -0.000 0.000 0.254 285 I C 2.117 178.325 176.117 0.152 0.000 1.151 285 I CA 1.824 63.225 61.300 0.168 0.000 1.421 285 I CB -0.340 37.763 38.000 0.172 0.000 1.079 285 I HN 0.486 nan 8.210 nan 0.000 0.431 286 T N -1.239 113.382 114.554 0.113 0.000 3.025 286 T HA -0.031 4.319 4.350 -0.000 0.000 0.270 286 T C 1.803 176.600 174.700 0.162 0.000 1.126 286 T CA 0.775 62.945 62.100 0.116 0.000 1.105 286 T CB -0.504 68.422 68.868 0.096 0.000 0.884 286 T HN 0.413 nan 8.240 nan 0.000 0.522 287 A N 1.342 124.242 122.820 0.133 0.000 2.019 287 A HA -0.052 4.268 4.320 -0.000 0.000 0.219 287 A C 2.658 180.336 177.584 0.157 0.000 1.164 287 A CA 1.310 53.431 52.037 0.139 0.000 0.644 287 A CB -1.531 17.483 19.000 0.024 0.000 0.805 287 A HN 1.003 nan 8.150 nan 0.000 0.449 288 C N -1.706 117.645 119.300 0.086 0.000 2.460 288 C HA 0.384 4.844 4.460 -0.000 0.000 0.291 288 C C 2.358 177.384 174.990 0.060 0.000 1.493 288 C CA 0.070 59.116 59.018 0.047 0.000 1.748 288 C CB -1.811 25.993 27.740 0.107 0.000 1.656 288 C HN 0.634 nan 8.230 nan 0.000 0.576 289 A N -0.622 122.235 122.820 0.063 0.000 2.132 289 A HA 0.157 4.477 4.320 -0.000 0.000 0.213 289 A C 0.965 178.433 177.584 -0.193 0.000 1.154 289 A CA 0.191 52.181 52.037 -0.078 0.000 0.753 289 A CB -0.565 18.340 19.000 -0.158 0.000 0.826 289 A HN 0.846 nan 8.150 nan 0.000 0.469 290 H N -0.004 119.060 119.070 -0.010 0.000 2.525 290 H HA 0.160 4.716 4.556 -0.000 0.000 0.339 290 H C -1.609 173.705 175.328 -0.023 0.000 1.109 290 H CA -1.430 54.609 56.048 -0.016 0.000 1.352 290 H CB 1.111 30.863 29.762 -0.017 0.000 1.461 290 H HN 0.164 nan 8.280 nan 0.000 0.533 291 P HA -0.134 nan 4.420 nan 0.000 0.221 291 P C 0.754 178.064 177.300 0.017 0.000 1.150 291 P CA 1.072 64.186 63.100 0.024 0.000 0.800 291 P CB 0.370 32.078 31.700 0.012 0.000 0.787 292 N N -0.429 118.291 118.700 0.033 0.000 2.336 292 N HA 0.025 4.765 4.740 -0.000 0.000 0.189 292 N C 0.269 175.767 175.510 -0.019 0.000 1.113 292 N CA 0.075 53.124 53.050 -0.002 0.000 0.858 292 N CB 0.008 38.493 38.487 -0.004 0.000 0.970 292 N HN 0.114 nan 8.380 nan 0.000 0.471 293 I N 1.932 122.500 120.570 -0.003 0.000 2.336 293 I HA 0.299 4.469 4.170 -0.000 0.000 0.292 293 I C -0.120 175.963 176.117 -0.057 0.000 0.991 293 I CA -0.728 60.555 61.300 -0.028 0.000 1.227 293 I CB 1.610 39.606 38.000 -0.006 0.000 1.366 293 I HN -0.066 nan 8.210 nan 0.000 0.466 294 L N 8.647 129.820 121.223 -0.083 0.000 2.283 294 L HA 0.385 4.725 4.340 -0.000 0.000 0.281 294 L C -2.316 174.478 176.870 -0.127 0.000 1.033 294 L CA -1.582 53.176 54.840 -0.137 0.000 0.848 294 L CB 1.089 43.023 42.059 -0.208 0.000 1.226 294 L HN 0.310 nan 8.230 nan 0.000 0.429 295 P HA 0.257 nan 4.420 nan 0.000 0.292 295 P C -0.835 176.313 177.300 -0.253 0.000 1.287 295 P CA -0.295 62.644 63.100 -0.268 0.000 0.800 295 P CB 1.859 33.249 31.700 -0.517 0.000 0.945 296 S N 1.726 117.373 115.700 -0.089 0.000 2.634 296 S HA 0.735 5.205 4.470 -0.000 0.000 0.296 296 S C -0.355 174.315 174.600 0.118 0.000 1.104 296 S CA -0.673 57.581 58.200 0.090 0.000 0.920 296 S CB 1.268 64.675 63.200 0.346 0.000 1.111 296 S HN 0.317 nan 8.310 nan 0.000 0.493 297 S N 0.993 116.875 115.700 0.303 0.000 2.607 297 S HA 0.825 5.295 4.470 -0.000 0.000 0.303 297 S C -0.124 174.604 174.600 0.212 0.000 1.086 297 S CA -0.742 57.672 58.200 0.358 0.000 0.995 297 S CB 1.635 65.172 63.200 0.562 0.000 1.084 297 S HN 1.006 nan 8.310 nan 0.000 0.507 298 T N -0.188 114.465 114.554 0.165 0.000 2.944 298 T HA 0.348 4.698 4.350 -0.000 0.000 0.284 298 T C 0.876 175.596 174.700 0.033 0.000 1.010 298 T CA -0.846 61.272 62.100 0.031 0.000 1.025 298 T CB 0.694 69.545 68.868 -0.029 0.000 1.079 298 T HN 0.570 nan 8.240 nan 0.000 0.516 299 N N 0.447 119.129 118.700 -0.029 0.000 2.446 299 N HA 0.033 4.773 4.740 -0.000 0.000 0.179 299 N C -0.902 174.610 175.510 0.004 0.000 1.054 299 N CA -0.153 52.884 53.050 -0.022 0.000 0.905 299 N CB -1.381 37.069 38.487 -0.062 0.000 0.973 299 N HN 0.442 nan 8.380 nan 0.000 0.448 300 P HA -0.092 nan 4.420 nan 0.000 0.221 300 P C 0.703 178.110 177.300 0.179 0.000 1.145 300 P CA 1.438 64.599 63.100 0.103 0.000 0.795 300 P CB -0.265 31.480 31.700 0.075 0.000 0.775 301 T N -3.555 111.057 114.554 0.097 0.000 3.107 301 T HA 0.197 4.547 4.350 -0.000 0.000 0.249 301 T C 0.752 175.469 174.700 0.029 0.000 1.096 301 T CA -0.085 62.008 62.100 -0.012 0.000 1.012 301 T CB -0.516 68.313 68.868 -0.066 0.000 0.977 301 T HN -0.007 nan 8.240 nan 0.000 0.527 302 L N 3.309 124.555 121.223 0.039 0.000 2.280 302 L HA 0.524 4.864 4.340 -0.000 0.000 0.287 302 L C -2.417 174.470 176.870 0.028 0.000 1.023 302 L CA -2.303 52.555 54.840 0.030 0.000 0.819 302 L CB 1.638 43.692 42.059 -0.008 0.000 1.212 302 L HN 0.013 nan 8.230 nan 0.000 0.420 303 P HA 0.132 nan 4.420 nan 0.000 0.292 303 P C -1.321 176.057 177.300 0.129 0.000 1.304 303 P CA -0.739 62.412 63.100 0.084 0.000 0.848 303 P CB 1.124 32.874 31.700 0.084 0.000 1.260 304 Y N 1.517 121.813 120.300 -0.008 0.000 2.569 304 Y HA 0.304 4.854 4.550 -0.000 0.000 0.332 304 Y C 0.288 176.184 175.900 -0.005 0.000 1.120 304 Y CA 0.302 58.389 58.100 -0.022 0.000 1.416 304 Y CB -0.648 37.799 38.460 -0.022 0.000 1.210 304 Y HN 0.396 nan 8.280 nan 0.000 0.528 305 T N 2.776 117.273 114.554 -0.095 0.000 2.864 305 T HA 0.380 4.730 4.350 -0.000 0.000 0.289 305 T C 0.946 175.503 174.700 -0.238 0.000 1.082 305 T CA -0.897 61.091 62.100 -0.188 0.000 1.009 305 T CB 0.909 69.744 68.868 -0.055 0.000 1.234 305 T HN 0.605 nan 8.240 nan 0.000 0.526 306 L N 0.579 121.696 121.223 -0.177 0.000 2.187 306 L HA -0.054 4.286 4.340 -0.000 0.000 0.213 306 L C 2.075 178.914 176.870 -0.050 0.000 1.100 306 L CA 1.153 55.917 54.840 -0.127 0.000 0.765 306 L CB -0.409 41.599 42.059 -0.085 0.000 0.904 306 L HN 0.669 nan 8.230 nan 0.000 0.437 307 N N -1.473 117.214 118.700 -0.021 0.000 2.299 307 N HA -0.016 4.724 4.740 -0.000 0.000 0.187 307 N C 1.582 177.124 175.510 0.053 0.000 1.099 307 N CA 0.495 53.554 53.050 0.016 0.000 0.867 307 N CB 0.343 38.839 38.487 0.015 0.000 0.974 307 N HN 0.218 nan 8.380 nan 0.000 0.477 308 T N 2.275 116.868 114.554 0.065 0.000 2.597 308 T HA -0.106 4.244 4.350 -0.000 0.000 0.267 308 T C 1.961 176.733 174.700 0.120 0.000 1.053 308 T CA 0.879 63.044 62.100 0.109 0.000 1.165 308 T CB 0.018 68.951 68.868 0.109 0.000 0.863 308 T HN 0.113 nan 8.240 nan 0.000 0.427 309 I N 1.789 122.419 120.570 0.101 0.000 2.226 309 I HA -0.121 4.049 4.170 -0.000 0.000 0.245 309 I C 2.034 178.208 176.117 0.096 0.000 1.100 309 I CA 1.507 62.859 61.300 0.087 0.000 1.374 309 I CB -1.430 36.622 38.000 0.086 0.000 1.057 309 I HN 0.284 nan 8.210 nan 0.000 0.413 310 D N 0.887 121.333 120.400 0.077 0.000 2.097 310 D HA -0.237 4.403 4.640 -0.000 0.000 0.195 310 D C 2.075 178.411 176.300 0.061 0.000 0.989 310 D CA 1.574 55.609 54.000 0.058 0.000 0.827 310 D CB -0.149 40.676 40.800 0.041 0.000 0.966 310 D HN 0.609 nan 8.370 nan 0.000 0.456 311 E N -0.185 120.061 120.200 0.077 0.000 2.107 311 E HA -0.214 4.136 4.350 -0.000 0.000 0.191 311 E C 1.660 178.279 176.600 0.033 0.000 0.982 311 E CA 1.061 57.489 56.400 0.047 0.000 0.809 311 E CB -0.295 29.430 29.700 0.042 0.000 0.756 311 E HN 0.352 nan 8.360 nan 0.000 0.459 312 H N -0.033 119.029 119.070 -0.012 0.000 2.326 312 H HA -0.020 4.536 4.556 -0.000 0.000 0.301 312 H C 1.790 177.106 175.328 -0.020 0.000 1.081 312 H CA 1.437 57.471 56.048 -0.023 0.000 1.334 312 H CB -0.076 29.671 29.762 -0.024 0.000 1.385 312 H HN 0.101 nan 8.280 nan 0.000 0.504 313 L N 0.799 122.085 121.223 0.105 0.000 2.043 313 L HA -0.197 4.143 4.340 -0.000 0.000 0.212 313 L C 1.194 178.080 176.870 0.027 0.000 1.075 313 L CA 1.948 56.816 54.840 0.047 0.000 0.752 313 L CB -0.848 41.235 42.059 0.040 0.000 0.891 313 L HN 0.325 nan 8.230 nan 0.000 0.432 314 D N -1.975 118.437 120.400 0.021 0.000 2.213 314 D HA -0.144 4.496 4.640 -0.000 0.000 0.205 314 D C 2.248 178.547 176.300 -0.002 0.000 0.961 314 D CA 0.602 54.609 54.000 0.012 0.000 0.853 314 D CB 0.069 40.874 40.800 0.008 0.000 0.967 314 D HN 0.236 nan 8.370 nan 0.000 0.496 315 M N 0.329 119.903 119.600 -0.043 0.000 2.086 315 M HA -0.133 4.347 4.480 -0.000 0.000 0.261 315 M C 1.837 178.129 176.300 -0.014 0.000 1.067 315 M CA 1.165 56.411 55.300 -0.090 0.000 1.116 315 M CB 0.026 32.483 32.600 -0.239 0.000 1.348 315 M HN 0.099 nan 8.290 nan 0.000 0.407 316 L N 0.725 121.962 121.223 0.022 0.000 2.046 316 L HA -0.239 4.101 4.340 -0.000 0.000 0.208 316 L C 2.338 179.333 176.870 0.208 0.000 1.077 316 L CA 1.768 56.709 54.840 0.168 0.000 0.747 316 L CB -0.746 41.356 42.059 0.072 0.000 0.896 316 L HN 0.473 nan 8.230 nan 0.000 0.432 317 M N -1.170 118.493 119.600 0.104 0.000 2.080 317 M HA -0.189 4.291 4.480 -0.000 0.000 0.260 317 M C 2.293 178.649 176.300 0.093 0.000 1.068 317 M CA 1.386 56.745 55.300 0.099 0.000 1.109 317 M CB -0.952 31.686 32.600 0.063 0.000 1.342 317 M HN 0.124 nan 8.290 nan 0.000 0.405 318 V N -0.846 119.110 119.914 0.071 0.000 2.358 318 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 318 V C 2.242 178.368 176.094 0.053 0.000 1.047 318 V CA 1.618 63.955 62.300 0.062 0.000 1.035 318 V CB -0.979 30.864 31.823 0.033 0.000 0.658 318 V HN 0.344 nan 8.190 nan 0.000 0.452 319 Y N 0.680 120.900 120.300 -0.134 0.000 2.224 319 Y HA -0.203 4.347 4.550 -0.000 0.000 0.289 319 Y C 2.404 177.967 175.900 -0.560 0.000 1.146 319 Y CA 1.760 59.682 58.100 -0.298 0.000 1.182 319 Y CB -0.251 38.017 38.460 -0.319 0.000 0.983 319 Y HN 0.399 nan 8.280 nan 0.000 0.524 320 H N -0.197 118.654 119.070 -0.365 0.000 2.529 320 H HA 0.123 4.679 4.556 -0.000 0.000 0.277 320 H C -0.197 174.790 175.328 -0.569 0.000 1.004 320 H CA 0.722 56.433 56.048 -0.562 0.000 1.167 320 H CB -0.307 29.382 29.762 -0.122 0.000 1.445 320 H HN 0.491 nan 8.280 nan 0.000 0.554 321 H N -0.927 118.166 119.070 0.038 0.000 2.713 321 H HA -0.161 4.395 4.556 -0.000 0.000 0.311 321 H C -0.002 175.357 175.328 0.052 0.000 1.175 321 H CA 0.304 56.364 56.048 0.021 0.000 1.143 321 H CB -2.637 27.112 29.762 -0.021 0.000 1.434 321 H HN 0.331 nan 8.280 nan 0.000 0.418 322 L N 0.983 122.288 121.223 0.136 0.000 2.350 322 L HA 0.217 4.557 4.340 -0.000 0.000 0.275 322 L C 1.110 178.037 176.870 0.095 0.000 1.099 322 L CA -0.175 54.739 54.840 0.124 0.000 0.808 322 L CB 0.862 43.012 42.059 0.152 0.000 1.149 322 L HN 0.069 nan 8.230 nan 0.000 0.442 323 D N 4.752 125.199 120.400 0.077 0.000 2.380 323 D HA 0.138 4.778 4.640 -0.000 0.000 0.230 323 D C -1.408 174.925 176.300 0.055 0.000 1.154 323 D CA -1.926 52.109 54.000 0.058 0.000 0.859 323 D CB 1.548 42.374 40.800 0.044 0.000 1.045 323 D HN 0.257 nan 8.370 nan 0.000 0.495 324 P HA -0.126 nan 4.420 nan 0.000 0.219 324 P C 0.497 177.819 177.300 0.037 0.000 1.146 324 P CA 0.877 64.003 63.100 0.044 0.000 0.808 324 P CB 0.637 32.359 31.700 0.037 0.000 0.779 325 D N -0.356 120.064 120.400 0.033 0.000 2.333 325 D HA 0.095 4.735 4.640 -0.000 0.000 0.208 325 D C 0.972 177.289 176.300 0.029 0.000 0.984 325 D CA 0.309 54.326 54.000 0.028 0.000 0.873 325 D CB 0.267 41.080 40.800 0.023 0.000 0.935 325 D HN 0.297 nan 8.370 nan 0.000 0.521 326 I N 1.710 122.300 120.570 0.033 0.000 2.281 326 I HA 0.095 4.265 4.170 -0.000 0.000 0.293 326 I C 1.628 177.769 176.117 0.039 0.000 1.085 326 I CA -0.517 60.803 61.300 0.032 0.000 1.257 326 I CB 1.525 39.544 38.000 0.031 0.000 1.430 326 I HN -0.171 nan 8.210 nan 0.000 0.489 327 A N 5.084 127.925 122.820 0.036 0.000 1.985 327 A HA -0.267 4.053 4.320 -0.000 0.000 0.223 327 A C 2.029 179.643 177.584 0.050 0.000 1.189 327 A CA 1.972 54.033 52.037 0.040 0.000 0.658 327 A CB -0.368 18.651 19.000 0.033 0.000 0.820 327 A HN 0.737 nan 8.150 nan 0.000 0.464 328 E N 0.125 120.353 120.200 0.046 0.000 2.204 328 E HA -0.116 4.234 4.350 -0.000 0.000 0.195 328 E C 1.476 178.120 176.600 0.074 0.000 0.990 328 E CA 1.332 57.762 56.400 0.051 0.000 0.821 328 E CB -0.124 29.595 29.700 0.032 0.000 0.750 328 E HN 0.695 nan 8.360 nan 0.000 0.477 329 D N -0.540 119.909 120.400 0.081 0.000 2.216 329 D HA -0.068 4.572 4.640 -0.000 0.000 0.208 329 D C 1.907 178.307 176.300 0.167 0.000 0.960 329 D CA 1.183 55.259 54.000 0.127 0.000 0.861 329 D CB 0.205 41.065 40.800 0.102 0.000 0.985 329 D HN 0.226 nan 8.370 nan 0.000 0.493 330 V N -0.602 119.375 119.914 0.105 0.000 3.141 330 V HA 0.116 4.236 4.120 -0.000 0.000 0.265 330 V C 2.182 178.319 176.094 0.073 0.000 1.126 330 V CA 1.166 63.513 62.300 0.078 0.000 1.141 330 V CB -0.640 31.216 31.823 0.054 0.000 0.743 330 V HN 0.032 nan 8.190 nan 0.000 0.492 331 A N 0.634 123.516 122.820 0.104 0.000 1.930 331 A HA 0.017 4.337 4.320 -0.000 0.000 0.215 331 A C 1.965 179.627 177.584 0.130 0.000 1.176 331 A CA 1.454 53.554 52.037 0.104 0.000 0.632 331 A CB -0.690 18.373 19.000 0.105 0.000 0.819 331 A HN 0.689 nan 8.150 nan 0.000 0.445 332 F N 1.167 121.122 119.950 0.009 0.000 2.259 332 F HA 0.096 4.623 4.527 -0.000 0.000 0.298 332 F C 2.237 178.022 175.800 -0.024 0.000 1.088 332 F CA 0.837 58.830 58.000 -0.012 0.000 1.358 332 F CB -0.364 38.614 39.000 -0.036 0.000 1.040 332 F HN 0.220 nan 8.300 nan 0.000 0.505 333 A N 0.597 123.274 122.820 -0.239 0.000 1.873 333 A HA -0.172 4.148 4.320 -0.000 0.000 0.215 333 A C 2.132 179.587 177.584 -0.215 0.000 1.186 333 A CA 1.775 53.622 52.037 -0.317 0.000 0.616 333 A CB -0.895 18.046 19.000 -0.099 0.000 0.823 333 A HN 0.548 nan 8.150 nan 0.000 0.442 334 E N 0.338 120.488 120.200 -0.083 0.000 2.153 334 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 334 E C 2.293 178.880 176.600 -0.020 0.000 0.988 334 E CA 1.373 57.767 56.400 -0.012 0.000 0.811 334 E CB -0.182 29.552 29.700 0.056 0.000 0.746 334 E HN 0.808 nan 8.360 nan 0.000 0.466 335 S N 0.553 116.210 115.700 -0.071 0.000 2.406 335 S HA -0.071 4.399 4.470 -0.000 0.000 0.228 335 S C 1.963 176.415 174.600 -0.247 0.000 1.020 335 S CA 0.506 58.639 58.200 -0.112 0.000 0.965 335 S CB 0.017 63.209 63.200 -0.013 0.000 0.798 335 S HN 0.106 nan 8.310 nan 0.000 0.488 336 R N 0.159 120.475 120.500 -0.306 0.000 2.080 336 R HA 0.346 4.686 4.340 -0.000 0.000 0.222 336 R C -0.071 176.109 176.300 -0.201 0.000 1.107 336 R CA 0.644 56.571 56.100 -0.289 0.000 0.980 336 R CB -0.063 29.985 30.300 -0.420 0.000 0.879 336 R HN 0.391 nan 8.270 nan 0.000 0.439 337 I N 2.065 122.539 120.570 -0.161 0.000 2.287 337 I HA 0.163 4.333 4.170 -0.000 0.000 0.290 337 I C -0.630 175.438 176.117 -0.082 0.000 1.069 337 I CA 0.008 61.250 61.300 -0.097 0.000 1.237 337 I CB 1.174 39.153 38.000 -0.035 0.000 1.418 337 I HN -0.070 nan 8.210 nan 0.000 0.481 338 R N 5.094 125.529 120.500 -0.108 0.000 2.439 338 R HA 0.394 4.734 4.340 -0.000 0.000 0.310 338 R C 0.958 177.200 176.300 -0.098 0.000 0.955 338 R CA -0.813 55.250 56.100 -0.062 0.000 0.853 338 R CB 1.808 32.041 30.300 -0.111 0.000 1.171 338 R HN 0.467 nan 8.270 nan 0.000 0.449 339 R N 1.892 122.351 120.500 -0.068 0.000 2.105 339 R HA -0.222 4.118 4.340 -0.000 0.000 0.239 339 R C 0.596 176.757 176.300 -0.232 0.000 1.135 339 R CA 1.911 57.915 56.100 -0.160 0.000 0.967 339 R CB 0.262 30.544 30.300 -0.030 0.000 0.861 339 R HN 0.581 nan 8.270 nan 0.000 0.442 340 E N -0.542 119.605 120.200 -0.089 0.000 2.058 340 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 340 E C 2.012 178.546 176.600 -0.111 0.000 0.997 340 E CA 2.272 58.633 56.400 -0.067 0.000 0.801 340 E CB -0.238 29.488 29.700 0.044 0.000 0.746 340 E HN 0.587 nan 8.360 nan 0.000 0.450 341 T N -1.377 113.111 114.554 -0.109 0.000 2.978 341 T HA 0.042 4.392 4.350 -0.000 0.000 0.262 341 T C 2.013 176.609 174.700 -0.172 0.000 1.063 341 T CA 0.464 62.496 62.100 -0.113 0.000 1.140 341 T CB -0.279 68.539 68.868 -0.083 0.000 0.886 341 T HN 0.030 nan 8.240 nan 0.000 0.470 342 I N 1.804 122.227 120.570 -0.245 0.000 2.226 342 I HA -0.087 4.083 4.170 -0.000 0.000 0.245 342 I C 3.131 179.007 176.117 -0.401 0.000 1.100 342 I CA 1.229 62.342 61.300 -0.311 0.000 1.374 342 I CB -0.463 37.308 38.000 -0.381 0.000 1.057 342 I HN 0.348 nan 8.210 nan 0.000 0.413 343 A N 0.536 123.017 122.820 -0.565 0.000 1.929 343 A HA -0.040 4.280 4.320 -0.000 0.000 0.216 343 A C 2.519 180.000 177.584 -0.173 0.000 1.176 343 A CA 1.474 53.242 52.037 -0.448 0.000 0.628 343 A CB -0.660 18.080 19.000 -0.433 0.000 0.816 343 A HN 0.404 nan 8.150 nan 0.000 0.444 344 A N -0.139 122.579 122.820 -0.170 0.000 1.930 344 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 344 A C 1.989 179.457 177.584 -0.193 0.000 1.175 344 A CA 1.703 53.660 52.037 -0.135 0.000 0.627 344 A CB -0.553 18.378 19.000 -0.115 0.000 0.815 344 A HN 0.671 nan 8.150 nan 0.000 0.443 345 E N -0.036 120.017 120.200 -0.245 0.000 2.130 345 E HA -0.293 4.057 4.350 -0.000 0.000 0.196 345 E C 1.204 177.664 176.600 -0.233 0.000 0.998 345 E CA 1.648 57.813 56.400 -0.393 0.000 0.806 345 E CB -0.184 29.370 29.700 -0.244 0.000 0.738 345 E HN 0.549 nan 8.360 nan 0.000 0.459 346 D N -0.137 120.226 120.400 -0.062 0.000 2.097 346 D HA -0.139 4.501 4.640 -0.000 0.000 0.195 346 D C 2.046 178.381 176.300 0.059 0.000 0.989 346 D CA 1.226 55.262 54.000 0.058 0.000 0.827 346 D CB -0.213 40.636 40.800 0.083 0.000 0.966 346 D HN 0.107 nan 8.370 nan 0.000 0.456 347 V N 0.851 120.761 119.914 -0.006 0.000 2.343 347 V HA -0.193 3.927 4.120 -0.000 0.000 0.247 347 V C 2.568 178.639 176.094 -0.039 0.000 1.051 347 V CA 1.077 63.379 62.300 0.003 0.000 1.036 347 V CB -0.483 31.332 31.823 -0.013 0.000 0.654 347 V HN 0.220 nan 8.190 nan 0.000 0.451 348 L N -0.864 120.259 121.223 -0.168 0.000 2.191 348 L HA -0.215 4.125 4.340 -0.000 0.000 0.212 348 L C 2.436 179.176 176.870 -0.217 0.000 1.103 348 L CA 1.649 56.343 54.840 -0.245 0.000 0.769 348 L CB -0.682 41.073 42.059 -0.506 0.000 0.908 348 L HN 0.430 nan 8.230 nan 0.000 0.438 349 H N -1.142 117.824 119.070 -0.173 0.000 2.363 349 H HA -0.162 4.394 4.556 -0.000 0.000 0.301 349 H C 1.917 177.157 175.328 -0.146 0.000 1.074 349 H CA 1.432 57.405 56.048 -0.124 0.000 1.354 349 H CB 0.229 29.941 29.762 -0.085 0.000 1.397 349 H HN 0.186 nan 8.280 nan 0.000 0.516 350 D N -0.089 120.392 120.400 0.135 0.000 2.178 350 D HA -0.094 4.546 4.640 -0.000 0.000 0.202 350 D C 1.641 178.010 176.300 0.116 0.000 0.974 350 D CA 0.693 54.810 54.000 0.196 0.000 0.841 350 D CB 0.049 40.990 40.800 0.235 0.000 0.953 350 D HN 0.320 nan 8.370 nan 0.000 0.478 351 L N -1.400 119.862 121.223 0.064 0.000 2.492 351 L HA 0.222 4.562 4.340 -0.000 0.000 0.223 351 L C 1.608 178.514 176.870 0.060 0.000 1.132 351 L CA 0.543 55.422 54.840 0.064 0.000 0.850 351 L CB 0.018 42.098 42.059 0.035 0.000 0.966 351 L HN 0.227 nan 8.230 nan 0.000 0.454 352 G N -0.507 108.308 108.800 0.024 0.000 2.132 352 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.234 352 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.234 352 G C 0.898 175.820 174.900 0.036 0.000 0.989 352 G CA 0.350 45.466 45.100 0.026 0.000 0.676 352 G HN 0.390 nan 8.290 nan 0.000 0.522 353 A N -0.924 121.922 122.820 0.043 0.000 2.016 353 A HA 0.612 4.932 4.320 -0.000 0.000 0.217 353 A C 0.669 178.377 177.584 0.207 0.000 1.162 353 A CA 0.846 52.945 52.037 0.103 0.000 0.662 353 A CB 0.008 19.073 19.000 0.108 0.000 0.812 353 A HN 0.583 nan 8.150 nan 0.000 0.450 354 F N -0.294 119.507 119.950 -0.249 0.000 2.420 354 F HA 0.442 4.969 4.527 -0.000 0.000 0.342 354 F C 1.129 176.795 175.800 -0.223 0.000 1.113 354 F CA -1.112 56.678 58.000 -0.350 0.000 1.059 354 F CB 1.953 40.419 39.000 -0.890 0.000 1.128 354 F HN -0.040 nan 8.300 nan 0.000 0.475 355 S N 2.384 118.080 115.700 -0.007 0.000 2.512 355 S HA 0.354 4.824 4.470 -0.000 0.000 0.216 355 S C -0.208 174.418 174.600 0.043 0.000 1.006 355 S CA 0.041 58.244 58.200 0.005 0.000 0.915 355 S CB 0.289 63.458 63.200 -0.052 0.000 0.824 355 S HN 0.256 nan 8.310 nan 0.000 0.497 356 L N 1.312 122.602 121.223 0.113 0.000 2.376 356 L HA 0.575 4.915 4.340 -0.000 0.000 0.258 356 L C -0.233 176.786 176.870 0.249 0.000 1.013 356 L CA -0.377 54.545 54.840 0.135 0.000 0.822 356 L CB 1.965 44.065 42.059 0.069 0.000 1.388 356 L HN 0.035 nan 8.230 nan 0.000 0.413 357 T N -1.948 112.710 114.554 0.173 0.000 2.893 357 T HA 0.947 5.297 4.350 -0.000 0.000 0.291 357 T C -0.416 174.343 174.700 0.099 0.000 1.028 357 T CA -0.568 61.606 62.100 0.123 0.000 0.995 357 T CB 1.832 70.707 68.868 0.012 0.000 1.051 357 T HN 0.751 nan 8.240 nan 0.000 0.470 358 S N 0.619 116.354 115.700 0.059 0.000 2.688 358 S HA 0.674 5.144 4.470 -0.000 0.000 0.275 358 S C 0.915 175.476 174.600 -0.064 0.000 1.175 358 S CA -0.138 58.070 58.200 0.014 0.000 0.818 358 S CB 1.191 64.415 63.200 0.040 0.000 1.157 358 S HN 1.074 nan 8.310 nan 0.000 0.482 359 S N 0.132 115.761 115.700 -0.119 0.000 2.357 359 S HA 0.245 4.714 4.470 -0.000 0.000 0.209 359 S C 0.325 174.754 174.600 -0.285 0.000 1.023 359 S CA 1.190 59.289 58.200 -0.169 0.000 0.933 359 S CB -0.785 62.324 63.200 -0.151 0.000 0.897 359 S HN 1.289 nan 8.310 nan 0.000 0.529 360 D N 1.402 121.552 120.400 -0.417 0.000 2.865 360 D HA -0.129 4.511 4.640 -0.000 0.000 0.231 360 D C -0.386 175.769 176.300 -0.240 0.000 1.069 360 D CA 0.686 54.322 54.000 -0.605 0.000 0.761 360 D CB -1.935 38.460 40.800 -0.676 0.000 1.081 360 D HN 0.671 nan 8.370 nan 0.000 0.440 361 S N 0.900 116.508 115.700 -0.153 0.000 2.885 361 S HA -0.020 4.450 4.470 -0.000 0.000 0.334 361 S C 1.026 175.543 174.600 -0.137 0.000 1.224 361 S CA 1.103 59.225 58.200 -0.130 0.000 1.080 361 S CB 0.728 63.851 63.200 -0.128 0.000 0.801 361 S HN 0.455 nan 8.310 nan 0.000 0.510 362 Q N 0.246 119.940 119.800 -0.177 0.000 2.461 362 Q HA -0.283 4.057 4.340 -0.000 0.000 0.264 362 Q C 0.376 176.185 176.000 -0.319 0.000 1.085 362 Q CA 1.013 56.697 55.803 -0.197 0.000 1.006 362 Q CB -2.120 26.559 28.738 -0.099 0.000 1.437 362 Q HN 1.247 nan 8.270 nan 0.000 0.514 363 A N 0.029 122.574 122.820 -0.459 0.000 3.106 363 A HA 0.575 4.895 4.320 -0.000 0.000 0.227 363 A C 0.385 177.533 177.584 -0.727 0.000 0.920 363 A CA 0.186 51.802 52.037 -0.702 0.000 1.088 363 A CB 0.501 18.953 19.000 -0.913 0.000 1.233 363 A HN 0.350 nan 8.150 nan 0.000 0.503 364 M N -1.339 117.881 119.600 -0.634 0.000 2.758 364 M HA -0.129 4.351 4.480 -0.000 0.000 0.223 364 M C 0.078 176.187 176.300 -0.318 0.000 0.490 364 M CA 0.834 55.843 55.300 -0.484 0.000 0.713 364 M CB -1.312 31.009 32.600 -0.465 0.000 2.624 364 M HN 1.170 nan 8.290 nan 0.000 0.718 365 G N 0.609 109.238 108.800 -0.285 0.000 2.616 365 G HA2 0.671 4.631 3.960 -0.000 0.000 0.294 365 G HA3 0.671 4.631 3.960 -0.000 0.000 0.294 365 G C -1.398 173.391 174.900 -0.185 0.000 1.489 365 G CA -1.117 43.853 45.100 -0.217 0.000 0.836 365 G HN 0.245 nan 8.290 nan 0.000 0.527 366 R N 1.809 122.219 120.500 -0.150 0.000 2.246 366 R HA 0.371 4.711 4.340 -0.000 0.000 0.332 366 R C 1.016 177.243 176.300 -0.122 0.000 0.974 366 R CA -0.718 55.302 56.100 -0.133 0.000 0.837 366 R CB 2.073 32.298 30.300 -0.125 0.000 1.145 366 R HN 0.324 nan 8.270 nan 0.000 0.467 367 V N 2.966 122.812 119.914 -0.114 0.000 2.469 367 V HA -0.153 3.967 4.120 -0.000 0.000 0.251 367 V C 1.493 177.536 176.094 -0.084 0.000 1.064 367 V CA 2.543 64.783 62.300 -0.101 0.000 1.066 367 V CB -0.096 31.674 31.823 -0.088 0.000 0.667 367 V HN 0.998 nan 8.190 nan 0.000 0.461 368 G N -1.252 107.499 108.800 -0.082 0.000 3.284 368 G HA2 0.112 4.072 3.960 -0.000 0.000 0.236 368 G HA3 0.112 4.072 3.960 -0.000 0.000 0.236 368 G C 0.735 175.591 174.900 -0.074 0.000 1.158 368 G CA 0.093 45.152 45.100 -0.069 0.000 0.774 368 G HN 0.625 nan 8.290 nan 0.000 0.545 369 E N 0.126 120.269 120.200 -0.096 0.000 2.734 369 E HA 0.152 4.502 4.350 -0.000 0.000 0.211 369 E C 1.348 177.876 176.600 -0.120 0.000 0.991 369 E CA -0.225 56.116 56.400 -0.099 0.000 1.065 369 E CB 1.114 30.749 29.700 -0.109 0.000 1.047 369 E HN 0.194 nan 8.360 nan 0.000 0.470 370 V N 0.752 120.581 119.914 -0.142 0.000 2.307 370 V HA -0.235 3.885 4.120 -0.000 0.000 0.245 370 V C 2.159 178.064 176.094 -0.315 0.000 1.045 370 V CA 1.512 63.702 62.300 -0.183 0.000 1.024 370 V CB -0.245 31.483 31.823 -0.158 0.000 0.651 370 V HN 0.349 nan 8.190 nan 0.000 0.449 371 I N -0.300 120.024 120.570 -0.410 0.000 2.163 371 I HA -0.240 3.930 4.170 -0.000 0.000 0.240 371 I C 2.464 178.418 176.117 -0.271 0.000 1.081 371 I CA 1.619 62.542 61.300 -0.628 0.000 1.353 371 I CB -0.383 37.326 38.000 -0.484 0.000 1.054 371 I HN 0.283 nan 8.210 nan 0.000 0.407 372 L N 1.014 122.169 121.223 -0.114 0.000 1.997 372 L HA -0.292 4.048 4.340 -0.000 0.000 0.216 372 L C 2.819 179.682 176.870 -0.012 0.000 1.074 372 L CA 1.827 56.661 54.840 -0.010 0.000 0.763 372 L CB -0.292 41.768 42.059 0.003 0.000 0.890 372 L HN 0.136 nan 8.230 nan 0.000 0.434 373 R N -1.127 119.329 120.500 -0.072 0.000 2.115 373 R HA -0.105 4.235 4.340 -0.000 0.000 0.230 373 R C 2.129 178.373 176.300 -0.093 0.000 1.111 373 R CA 1.706 57.769 56.100 -0.061 0.000 0.976 373 R CB -0.486 29.774 30.300 -0.066 0.000 0.870 373 R HN 0.435 nan 8.270 nan 0.000 0.445 374 T N -0.252 114.182 114.554 -0.199 0.000 2.788 374 T HA -0.170 4.180 4.350 -0.000 0.000 0.268 374 T C 1.187 175.701 174.700 -0.310 0.000 1.044 374 T CA 1.318 63.255 62.100 -0.271 0.000 1.139 374 T CB -0.189 68.454 68.868 -0.375 0.000 0.867 374 T HN 0.451 nan 8.240 nan 0.000 0.454 375 W N 1.381 122.682 121.300 0.000 0.000 2.518 375 W HA 0.049 4.709 4.660 -0.000 0.000 0.273 375 W C 2.623 179.104 176.519 -0.063 0.000 1.247 375 W CA -0.089 57.231 57.345 -0.042 0.000 1.288 375 W CB -0.188 29.263 29.460 -0.016 0.000 1.107 375 W HN 0.284 nan 8.180 nan 0.000 0.586 376 Q N 0.056 119.935 119.800 0.132 0.000 2.119 376 Q HA -0.172 4.168 4.340 -0.000 0.000 0.201 376 Q C 2.143 178.200 176.000 0.095 0.000 0.972 376 Q CA 1.633 57.494 55.803 0.097 0.000 0.847 376 Q CB -0.479 28.290 28.738 0.052 0.000 0.903 376 Q HN 0.182 nan 8.270 nan 0.000 0.433 377 V N 0.921 120.853 119.914 0.030 0.000 2.295 377 V HA -0.286 3.834 4.120 -0.000 0.000 0.246 377 V C 2.289 178.346 176.094 -0.062 0.000 1.049 377 V CA 1.860 64.180 62.300 0.033 0.000 1.024 377 V CB -1.020 30.851 31.823 0.080 0.000 0.648 377 V HN 0.401 nan 8.190 nan 0.000 0.447 378 A N -0.304 122.300 122.820 -0.360 0.000 1.908 378 A HA -0.332 3.988 4.320 -0.000 0.000 0.218 378 A C 2.104 179.597 177.584 -0.152 0.000 1.181 378 A CA 2.527 54.178 52.037 -0.642 0.000 0.627 378 A CB -0.891 17.578 19.000 -0.886 0.000 0.818 378 A HN 0.812 nan 8.150 nan 0.000 0.445 379 H N -0.685 118.336 119.070 -0.082 0.000 2.293 379 H HA -0.067 4.489 4.556 -0.000 0.000 0.300 379 H C 2.243 177.568 175.328 -0.005 0.000 1.082 379 H CA 1.907 57.944 56.048 -0.018 0.000 1.308 379 H CB -0.030 29.737 29.762 0.008 0.000 1.375 379 H HN 0.227 nan 8.280 nan 0.000 0.495 380 R N -0.202 120.308 120.500 0.016 0.000 2.120 380 R HA -0.092 4.247 4.340 -0.000 0.000 0.234 380 R C 2.184 178.457 176.300 -0.044 0.000 1.123 380 R CA 1.230 57.318 56.100 -0.019 0.000 0.975 380 R CB -0.317 30.034 30.300 0.085 0.000 0.866 380 R HN 0.480 nan 8.270 nan 0.000 0.446 381 M N 0.267 119.858 119.600 -0.015 0.000 2.288 381 M HA -0.069 4.411 4.480 -0.000 0.000 0.266 381 M C 2.091 178.388 176.300 -0.005 0.000 1.072 381 M CA 1.146 56.460 55.300 0.022 0.000 1.132 381 M CB -0.613 32.044 32.600 0.095 0.000 1.386 381 M HN 0.053 nan 8.290 nan 0.000 0.432 382 K N 0.499 120.868 120.400 -0.051 0.000 2.025 382 K HA -0.095 4.225 4.320 -0.000 0.000 0.207 382 K C 1.832 178.391 176.600 -0.069 0.000 1.049 382 K CA 1.215 57.477 56.287 -0.042 0.000 0.933 382 K CB 0.059 32.530 32.500 -0.048 0.000 0.714 382 K HN 0.073 nan 8.250 nan 0.000 0.438 383 V N 1.662 121.484 119.914 -0.154 0.000 2.332 383 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 383 V C 2.291 178.349 176.094 -0.061 0.000 1.055 383 V CA 1.985 64.203 62.300 -0.137 0.000 1.038 383 V CB -0.444 31.241 31.823 -0.231 0.000 0.651 383 V HN 0.447 nan 8.190 nan 0.000 0.450 384 Q N -0.778 118.997 119.800 -0.041 0.000 2.204 384 Q HA 0.040 4.380 4.340 -0.000 0.000 0.198 384 Q C 2.200 178.204 176.000 0.006 0.000 0.946 384 Q CA 0.788 56.586 55.803 -0.008 0.000 0.859 384 Q CB 0.066 28.810 28.738 0.009 0.000 0.946 384 Q HN 0.575 nan 8.270 nan 0.000 0.474 385 R N -0.222 120.285 120.500 0.013 0.000 2.365 385 R HA 0.257 4.597 4.340 -0.000 0.000 0.223 385 R C 0.705 177.021 176.300 0.026 0.000 0.899 385 R CA 0.463 56.579 56.100 0.025 0.000 1.059 385 R CB 1.076 31.401 30.300 0.043 0.000 1.086 385 R HN 0.206 nan 8.270 nan 0.000 0.522 386 G N 1.562 110.373 108.800 0.018 0.000 2.593 386 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.237 386 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.237 386 G C -0.328 174.597 174.900 0.041 0.000 1.312 386 G CA -0.403 44.710 45.100 0.022 0.000 0.896 386 G HN 0.422 nan 8.290 nan 0.000 0.574 387 A N -0.503 122.342 122.820 0.042 0.000 2.407 387 A HA 0.630 4.950 4.320 -0.000 0.000 0.248 387 A C 0.900 178.527 177.584 0.072 0.000 1.082 387 A CA 0.137 52.210 52.037 0.060 0.000 0.785 387 A CB 0.116 19.143 19.000 0.044 0.000 1.020 387 A HN 1.185 nan 8.150 nan 0.000 0.489 388 L N 1.457 122.746 121.223 0.111 0.000 2.453 388 L HA 0.243 4.583 4.340 -0.000 0.000 0.261 388 L C 1.820 178.721 176.870 0.052 0.000 1.179 388 L CA -0.005 54.907 54.840 0.119 0.000 0.813 388 L CB 0.749 42.949 42.059 0.234 0.000 1.110 388 L HN 0.895 nan 8.230 nan 0.000 0.466 389 A N 1.256 124.088 122.820 0.021 0.000 2.070 389 A HA -0.144 4.176 4.320 -0.000 0.000 0.220 389 A C 1.782 179.307 177.584 -0.098 0.000 1.159 389 A CA 1.377 53.398 52.037 -0.027 0.000 0.656 389 A CB -0.377 18.609 19.000 -0.024 0.000 0.800 389 A HN 0.868 nan 8.150 nan 0.000 0.453 390 E N 0.440 120.525 120.200 -0.190 0.000 2.442 390 E HA 0.046 4.396 4.350 -0.000 0.000 0.195 390 E C 0.223 176.630 176.600 -0.322 0.000 1.030 390 E CA -0.029 56.103 56.400 -0.448 0.000 0.869 390 E CB 0.124 29.099 29.700 -1.209 0.000 0.857 390 E HN 0.476 nan 8.360 nan 0.000 0.505 391 E N 0.672 120.819 120.200 -0.089 0.000 2.415 391 E HA 0.084 4.433 4.350 -0.000 0.000 0.262 391 E C -0.215 176.380 176.600 -0.009 0.000 1.038 391 E CA 0.491 56.904 56.400 0.022 0.000 0.921 391 E CB 1.235 30.980 29.700 0.075 0.000 0.950 391 E HN -0.100 nan 8.360 nan 0.000 0.438 392 T N 0.473 115.039 114.554 0.020 0.000 2.912 392 T HA 0.575 4.925 4.350 -0.000 0.000 0.299 392 T C -0.323 174.391 174.700 0.023 0.000 1.052 392 T CA 0.435 62.541 62.100 0.010 0.000 0.996 392 T CB 1.109 69.981 68.868 0.006 0.000 1.070 392 T HN 0.720 nan 8.240 nan 0.000 0.465 393 G N 3.317 112.124 108.800 0.012 0.000 2.829 393 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.628 393 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.628 393 G C -0.517 174.386 174.900 0.005 0.000 1.412 393 G CA -0.128 44.977 45.100 0.009 0.000 0.864 393 G HN 0.851 nan 8.290 nan 0.000 0.544 394 D N 1.358 121.752 120.400 -0.010 0.000 2.741 394 D HA 0.409 5.049 4.640 -0.000 0.000 0.233 394 D C 0.804 177.089 176.300 -0.025 0.000 1.160 394 D CA 0.390 54.373 54.000 -0.028 0.000 1.003 394 D CB -0.549 40.215 40.800 -0.059 0.000 1.064 394 D HN 0.708 nan 8.370 nan 0.000 0.503 395 N N -0.576 118.134 118.700 0.017 0.000 3.106 395 N HA 0.181 4.921 4.740 -0.000 0.000 0.253 395 N C -0.921 174.639 175.510 0.083 0.000 1.506 395 N CA -0.722 52.361 53.050 0.055 0.000 0.876 395 N CB 1.106 39.629 38.487 0.060 0.000 1.452 395 N HN -0.165 nan 8.380 nan 0.000 0.542 396 D N -0.310 120.154 120.400 0.106 0.000 2.501 396 D HA 0.120 4.760 4.640 -0.000 0.000 0.226 396 D C 0.285 176.641 176.300 0.093 0.000 1.198 396 D CA -0.220 53.844 54.000 0.106 0.000 0.830 396 D CB -0.040 40.823 40.800 0.105 0.000 1.014 396 D HN 0.361 nan 8.370 nan 0.000 0.496 397 N N 0.866 119.616 118.700 0.083 0.000 2.060 397 N HA -0.206 4.534 4.740 -0.000 0.000 0.195 397 N C 1.408 176.958 175.510 0.068 0.000 1.028 397 N CA 0.876 53.962 53.050 0.060 0.000 0.861 397 N CB -0.482 38.043 38.487 0.065 0.000 1.029 397 N HN 0.269 nan 8.380 nan 0.000 0.428 398 F N 1.469 121.425 119.950 0.010 0.000 2.146 398 F HA -0.060 4.467 4.527 -0.000 0.000 0.298 398 F C 2.539 178.358 175.800 0.032 0.000 1.096 398 F CA 1.139 59.126 58.000 -0.023 0.000 1.275 398 F CB -0.053 38.928 39.000 -0.031 0.000 1.008 398 F HN -0.065 nan 8.300 nan 0.000 0.480 399 R N -0.040 120.503 120.500 0.072 0.000 2.096 399 R HA -0.131 4.209 4.340 -0.000 0.000 0.235 399 R C 2.015 178.415 176.300 0.166 0.000 1.127 399 R CA 1.778 57.955 56.100 0.128 0.000 0.968 399 R CB -0.565 29.850 30.300 0.192 0.000 0.861 399 R HN 0.284 nan 8.270 nan 0.000 0.440 400 V N 1.356 121.350 119.914 0.132 0.000 2.343 400 V HA -0.239 3.881 4.120 -0.000 0.000 0.247 400 V C 2.122 178.343 176.094 0.211 0.000 1.051 400 V CA 1.997 64.455 62.300 0.264 0.000 1.036 400 V CB -0.371 31.491 31.823 0.065 0.000 0.654 400 V HN 0.378 nan 8.190 nan 0.000 0.451 401 K N -0.140 120.229 120.400 -0.052 0.000 2.097 401 K HA -0.177 4.143 4.320 -0.000 0.000 0.205 401 K C 2.355 178.893 176.600 -0.102 0.000 1.050 401 K CA 1.458 57.683 56.287 -0.104 0.000 0.938 401 K CB -0.246 32.084 32.500 -0.285 0.000 0.718 401 K HN 0.358 nan 8.250 nan 0.000 0.442 402 R N 0.153 120.438 120.500 -0.359 0.000 2.081 402 R HA -0.163 4.177 4.340 -0.000 0.000 0.235 402 R C 1.730 177.953 176.300 -0.129 0.000 1.131 402 R CA 1.551 57.499 56.100 -0.253 0.000 0.960 402 R CB -0.240 29.837 30.300 -0.373 0.000 0.856 402 R HN 0.185 nan 8.270 nan 0.000 0.436 403 Y N 0.244 120.471 120.300 -0.121 0.000 2.286 403 Y HA -0.043 4.507 4.550 -0.000 0.000 0.293 403 Y C 2.132 177.823 175.900 -0.347 0.000 1.124 403 Y CA 1.144 59.102 58.100 -0.237 0.000 1.178 403 Y CB -0.063 38.166 38.460 -0.385 0.000 1.010 403 Y HN 0.090 nan 8.280 nan 0.000 0.536 404 I N -0.506 120.038 120.570 -0.042 0.000 2.493 404 I HA -0.254 3.916 4.170 -0.000 0.000 0.254 404 I C 2.262 178.160 176.117 -0.365 0.000 1.160 404 I CA 1.085 62.263 61.300 -0.203 0.000 1.445 404 I CB -0.101 38.015 38.000 0.193 0.000 1.086 404 I HN 0.196 nan 8.210 nan 0.000 0.433 405 A N 0.509 123.253 122.820 -0.128 0.000 2.067 405 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 405 A C 2.172 179.676 177.584 -0.134 0.000 1.158 405 A CA 1.322 53.301 52.037 -0.097 0.000 0.661 405 A CB -0.402 18.584 19.000 -0.023 0.000 0.801 405 A HN 0.404 nan 8.150 nan 0.000 0.452 406 K N -1.324 118.990 120.400 -0.142 0.000 2.209 406 K HA -0.138 4.182 4.320 -0.000 0.000 0.204 406 K C 1.025 177.653 176.600 0.047 0.000 1.048 406 K CA 1.671 57.933 56.287 -0.042 0.000 0.940 406 K CB -0.228 32.255 32.500 -0.029 0.000 0.729 406 K HN 0.916 nan 8.250 nan 0.000 0.451 407 Y N -1.744 118.550 120.300 -0.009 0.000 2.641 407 Y HA 0.291 4.841 4.550 -0.000 0.000 0.248 407 Y C 1.046 176.985 175.900 0.066 0.000 1.170 407 Y CA -0.231 57.881 58.100 0.020 0.000 1.201 407 Y CB -0.208 38.250 38.460 -0.004 0.000 1.232 407 Y HN -0.064 nan 8.280 nan 0.000 0.537 408 T N -2.908 111.596 114.554 -0.083 0.000 3.364 408 T HA 0.127 4.477 4.350 -0.000 0.000 0.179 408 T C 1.276 175.995 174.700 0.031 0.000 0.939 408 T CA 0.628 62.731 62.100 0.006 0.000 1.094 408 T CB -0.759 68.088 68.868 -0.035 0.000 1.532 408 T HN 0.083 nan 8.240 nan 0.000 0.346 409 I N 3.138 123.712 120.570 0.008 0.000 2.252 409 I HA -0.011 4.159 4.170 -0.000 0.000 0.245 409 I C 1.900 177.985 176.117 -0.055 0.000 1.102 409 I CA 1.337 62.626 61.300 -0.017 0.000 1.385 409 I CB -0.819 37.116 38.000 -0.109 0.000 1.064 409 I HN 0.259 nan 8.210 nan 0.000 0.414 410 N N 0.766 119.423 118.700 -0.072 0.000 2.084 410 N HA -0.100 4.640 4.740 -0.000 0.000 0.190 410 N C -0.792 174.691 175.510 -0.046 0.000 1.030 410 N CA 1.737 54.743 53.050 -0.074 0.000 0.849 410 N CB -1.882 36.558 38.487 -0.078 0.000 1.012 410 N HN 0.317 nan 8.380 nan 0.000 0.423 411 P HA 0.014 nan 4.420 nan 0.000 0.219 411 P C 1.005 178.344 177.300 0.064 0.000 1.150 411 P CA 1.242 64.372 63.100 0.051 0.000 0.814 411 P CB -0.002 31.755 31.700 0.094 0.000 0.787 412 A N -0.570 122.269 122.820 0.032 0.000 1.902 412 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 412 A C 2.175 179.765 177.584 0.010 0.000 1.181 412 A CA 1.377 53.425 52.037 0.017 0.000 0.623 412 A CB -1.622 17.394 19.000 0.026 0.000 0.818 412 A HN 0.108 nan 8.150 nan 0.000 0.443 413 L N -0.798 120.417 121.223 -0.013 0.000 2.056 413 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 413 L C 2.781 179.614 176.870 -0.063 0.000 1.078 413 L CA 1.729 56.549 54.840 -0.033 0.000 0.749 413 L CB -0.801 41.221 42.059 -0.061 0.000 0.901 413 L HN 0.341 nan 8.230 nan 0.000 0.433 414 T N -2.135 112.363 114.554 -0.093 0.000 2.759 414 T HA -0.190 4.160 4.350 -0.000 0.000 0.269 414 T C 1.462 175.992 174.700 -0.283 0.000 1.042 414 T CA 1.167 63.148 62.100 -0.198 0.000 1.140 414 T CB -0.233 68.470 68.868 -0.274 0.000 0.864 414 T HN 0.358 nan 8.240 nan 0.000 0.455 415 H N -0.312 118.727 119.070 -0.051 0.000 2.520 415 H HA 0.346 4.902 4.556 -0.000 0.000 0.284 415 H C 1.621 176.914 175.328 -0.057 0.000 1.037 415 H CA 0.349 56.373 56.048 -0.040 0.000 1.168 415 H CB 0.160 29.904 29.762 -0.031 0.000 1.497 415 H HN 0.497 nan 8.280 nan 0.000 0.547 416 G N 2.332 111.139 108.800 0.011 0.000 2.221 416 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.265 416 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.265 416 G C 0.823 175.787 174.900 0.108 0.000 1.041 416 G CA 0.684 45.809 45.100 0.042 0.000 0.807 416 G HN 0.627 nan 8.290 nan 0.000 0.502 417 I N -4.128 116.459 120.570 0.028 0.000 4.102 417 I HA 0.673 4.843 4.170 -0.000 0.000 0.325 417 I C 1.752 177.854 176.117 -0.024 0.000 1.471 417 I CA 0.340 61.589 61.300 -0.085 0.000 1.133 417 I CB 0.325 37.995 38.000 -0.549 0.000 1.184 417 I HN 0.123 nan 8.210 nan 0.000 0.451 418 A N 1.770 124.648 122.820 0.096 0.000 2.178 418 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 418 A C 2.002 179.664 177.584 0.131 0.000 1.157 418 A CA 1.798 53.888 52.037 0.088 0.000 0.689 418 A CB -1.295 17.748 19.000 0.071 0.000 0.787 418 A HN 0.859 nan 8.150 nan 0.000 0.465 419 H N -2.881 116.225 119.070 0.060 0.000 2.529 419 H HA 0.198 4.754 4.556 -0.000 0.000 0.277 419 H C 1.480 176.868 175.328 0.099 0.000 0.999 419 H CA 0.912 57.001 56.048 0.069 0.000 1.256 419 H CB 0.194 29.992 29.762 0.061 0.000 1.402 419 H HN 0.390 nan 8.280 nan 0.000 0.566 420 E N 1.062 121.116 120.200 -0.243 0.000 2.256 420 E HA 0.128 4.478 4.350 -0.000 0.000 0.198 420 E C 0.865 177.489 176.600 0.041 0.000 0.908 420 E CA 0.898 57.239 56.400 -0.100 0.000 0.915 420 E CB 1.078 30.732 29.700 -0.076 0.000 0.890 420 E HN 0.395 nan 8.360 nan 0.000 0.484 421 V N -4.731 115.222 119.914 0.064 0.000 3.084 421 V HA 0.857 4.977 4.120 -0.000 0.000 0.311 421 V C 0.805 176.962 176.094 0.106 0.000 1.311 421 V CA -0.174 62.192 62.300 0.111 0.000 1.062 421 V CB 1.242 33.161 31.823 0.159 0.000 1.113 421 V HN 0.297 nan 8.190 nan 0.000 0.468 422 G N -0.078 108.800 108.800 0.129 0.000 2.278 422 G HA2 0.104 4.064 3.960 -0.000 0.000 0.210 422 G HA3 0.104 4.064 3.960 -0.000 0.000 0.210 422 G C 0.266 175.272 174.900 0.175 0.000 1.000 422 G CA 0.600 45.777 45.100 0.129 0.000 0.635 422 G HN 2.471 nan 8.290 nan 0.000 0.495 423 S N -1.153 114.671 115.700 0.207 0.000 2.615 423 S HA 0.650 5.120 4.470 -0.000 0.000 0.268 423 S C -0.787 173.971 174.600 0.263 0.000 1.146 423 S CA -0.676 57.690 58.200 0.276 0.000 0.818 423 S CB 1.167 64.613 63.200 0.410 0.000 1.111 423 S HN 0.781 nan 8.310 nan 0.000 0.465 424 I N 1.603 122.371 120.570 0.330 0.000 2.241 424 I HA 0.389 4.559 4.170 -0.000 0.000 0.294 424 I C -0.013 176.300 176.117 0.326 0.000 1.145 424 I CA 0.221 61.714 61.300 0.323 0.000 1.261 424 I CB -0.199 38.010 38.000 0.349 0.000 1.475 424 I HN 0.569 nan 8.210 nan 0.000 0.533 425 E N 3.838 124.139 120.200 0.169 0.000 2.367 425 E HA 0.374 4.724 4.350 -0.000 0.000 0.273 425 E C -0.725 175.889 176.600 0.023 0.000 0.903 425 E CA -1.035 55.384 56.400 0.031 0.000 0.764 425 E CB 3.142 32.852 29.700 0.017 0.000 1.252 425 E HN 0.282 nan 8.360 nan 0.000 0.446 426 V N -0.164 119.725 119.914 -0.041 0.000 2.901 426 V HA 0.401 4.521 4.120 -0.000 0.000 0.307 426 V C 1.059 177.149 176.094 -0.007 0.000 1.084 426 V CA 0.975 63.252 62.300 -0.039 0.000 1.184 426 V CB 0.216 31.969 31.823 -0.117 0.000 0.941 426 V HN 1.026 nan 8.190 nan 0.000 0.493 427 G N 2.702 111.511 108.800 0.015 0.000 2.253 427 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.251 427 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.251 427 G C 0.331 175.266 174.900 0.059 0.000 0.998 427 G CA 0.476 45.598 45.100 0.036 0.000 0.621 427 G HN 0.911 nan 8.290 nan 0.000 0.524 428 K N 0.051 120.492 120.400 0.068 0.000 2.154 428 K HA 0.561 4.881 4.320 -0.000 0.000 0.264 428 K C 0.337 176.987 176.600 0.083 0.000 1.008 428 K CA -0.954 55.381 56.287 0.079 0.000 0.937 428 K CB 1.445 34.003 32.500 0.097 0.000 1.002 428 K HN 0.138 nan 8.250 nan 0.000 0.469 429 L N 1.907 123.176 121.223 0.077 0.000 2.525 429 L HA -0.051 4.289 4.340 -0.000 0.000 0.278 429 L C -0.033 176.892 176.870 0.092 0.000 1.218 429 L CA 0.782 55.667 54.840 0.075 0.000 0.878 429 L CB 0.352 42.451 42.059 0.067 0.000 1.127 429 L HN 0.750 nan 8.230 nan 0.000 0.492 430 A N 4.022 126.895 122.820 0.089 0.000 3.026 430 A HA 0.191 4.511 4.320 -0.000 0.000 0.272 430 A C -0.382 177.256 177.584 0.090 0.000 1.782 430 A CA -0.410 51.684 52.037 0.095 0.000 1.451 430 A CB -1.105 17.949 19.000 0.090 0.000 1.081 430 A HN 0.685 nan 8.150 nan 0.000 0.611 431 D N 1.630 122.091 120.400 0.101 0.000 2.467 431 D HA 0.510 5.150 4.640 -0.000 0.000 0.220 431 D C -0.302 176.062 176.300 0.108 0.000 1.103 431 D CA 0.434 54.493 54.000 0.099 0.000 0.886 431 D CB 0.861 41.729 40.800 0.114 0.000 1.025 431 D HN 0.409 nan 8.370 nan 0.000 0.514 432 L N 1.036 122.309 121.223 0.084 0.000 2.341 432 L HA 0.666 5.006 4.340 -0.000 0.000 0.267 432 L C -0.457 176.427 176.870 0.024 0.000 1.009 432 L CA -1.216 53.674 54.840 0.085 0.000 0.819 432 L CB 2.345 44.455 42.059 0.085 0.000 1.323 432 L HN -0.101 nan 8.230 nan 0.000 0.425 433 V N 2.119 122.039 119.914 0.010 0.000 2.531 433 V HA 0.423 4.543 4.120 -0.000 0.000 0.301 433 V C -0.309 175.625 176.094 -0.267 0.000 1.034 433 V CA -0.686 61.486 62.300 -0.213 0.000 0.865 433 V CB 2.182 33.823 31.823 -0.304 0.000 0.995 433 V HN 0.412 nan 8.190 nan 0.000 0.424 434 V N 3.971 123.687 119.914 -0.330 0.000 2.394 434 V HA 0.524 4.644 4.120 -0.000 0.000 0.282 434 V C -0.830 175.117 176.094 -0.244 0.000 1.031 434 V CA -0.478 61.733 62.300 -0.148 0.000 0.881 434 V CB 1.295 33.088 31.823 -0.051 0.000 0.982 434 V HN 0.911 nan 8.190 nan 0.000 0.451 435 W N 1.857 123.229 121.300 0.119 0.000 2.844 435 W HA 0.653 5.313 4.660 -0.000 0.000 0.340 435 W C 0.210 176.817 176.519 0.146 0.000 1.093 435 W CA -0.664 56.763 57.345 0.137 0.000 1.212 435 W CB 1.777 31.362 29.460 0.209 0.000 1.422 435 W HN 0.439 nan 8.180 nan 0.000 0.515 436 S N 1.894 117.847 115.700 0.422 0.000 2.508 436 S HA 0.327 4.797 4.470 -0.000 0.000 0.284 436 S C -1.560 173.239 174.600 0.332 0.000 1.192 436 S CA -1.437 56.952 58.200 0.315 0.000 1.070 436 S CB 1.108 64.498 63.200 0.316 0.000 1.004 436 S HN 0.197 nan 8.310 nan 0.000 0.493 437 P HA -0.094 nan 4.420 nan 0.000 0.216 437 P C 1.078 178.399 177.300 0.036 0.000 1.150 437 P CA 1.437 64.581 63.100 0.072 0.000 0.843 437 P CB 0.063 31.755 31.700 -0.015 0.000 0.787 438 A N -2.405 120.453 122.820 0.063 0.000 2.121 438 A HA -0.064 4.256 4.320 -0.000 0.000 0.218 438 A C 1.282 178.707 177.584 -0.265 0.000 1.154 438 A CA 1.144 53.115 52.037 -0.110 0.000 0.679 438 A CB -1.266 17.646 19.000 -0.146 0.000 0.795 438 A HN 0.189 nan 8.150 nan 0.000 0.458 439 F N -2.571 117.445 119.950 0.109 0.000 2.724 439 F HA 0.319 4.846 4.527 -0.000 0.000 0.310 439 F C 0.281 176.066 175.800 -0.025 0.000 1.107 439 F CA -1.138 56.881 58.000 0.030 0.000 1.218 439 F CB 0.143 39.214 39.000 0.118 0.000 1.042 439 F HN 0.154 nan 8.300 nan 0.000 0.540 440 F N 1.533 121.432 119.950 -0.086 0.000 2.623 440 F HA 0.322 4.849 4.527 -0.000 0.000 0.383 440 F C 1.382 176.776 175.800 -0.676 0.000 1.077 440 F CA 1.144 58.875 58.000 -0.450 0.000 1.268 440 F CB 0.460 39.122 39.000 -0.563 0.000 1.053 440 F HN 0.320 nan 8.300 nan 0.000 0.571 441 G N 3.347 110.896 108.800 -2.085 0.000 2.220 441 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.269 441 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.269 441 G C 0.540 175.208 174.900 -0.387 0.000 0.977 441 G CA 0.527 44.858 45.100 -1.281 0.000 0.634 441 G HN 0.776 nan 8.290 nan 0.000 0.539 442 V N -0.804 118.997 119.914 -0.189 0.000 2.840 442 V HA 0.379 4.499 4.120 -0.000 0.000 0.234 442 V C 1.006 177.196 176.094 0.161 0.000 1.159 442 V CA 1.753 64.022 62.300 -0.051 0.000 1.194 442 V CB 0.330 31.881 31.823 -0.454 0.000 0.971 442 V HN 0.261 nan 8.190 nan 0.000 0.494 443 K N 1.110 121.673 120.400 0.272 0.000 2.640 443 K HA 0.448 4.768 4.320 -0.000 0.000 0.245 443 K C -2.906 173.873 176.600 0.299 0.000 0.962 443 K CA -1.638 54.806 56.287 0.263 0.000 0.896 443 K CB 2.511 35.128 32.500 0.194 0.000 1.147 443 K HN 0.156 nan 8.250 nan 0.000 0.445 444 P HA 0.021 nan 4.420 nan 0.000 0.272 444 P C -0.072 177.202 177.300 -0.042 0.000 1.223 444 P CA -0.017 62.929 63.100 -0.258 0.000 0.784 444 P CB 1.039 32.400 31.700 -0.565 0.000 0.923 445 A N 1.536 124.281 122.820 -0.124 0.000 1.984 445 A HA 0.174 4.494 4.320 -0.000 0.000 0.214 445 A C 0.436 177.960 177.584 -0.100 0.000 1.173 445 A CA 1.383 53.365 52.037 -0.092 0.000 0.673 445 A CB -0.281 18.692 19.000 -0.045 0.000 0.830 445 A HN 0.553 nan 8.150 nan 0.000 0.453 446 T N -0.771 113.704 114.554 -0.132 0.000 3.097 446 T HA 0.488 4.838 4.350 -0.000 0.000 0.332 446 T C -1.374 173.244 174.700 -0.136 0.000 1.269 446 T CA -0.397 61.646 62.100 -0.096 0.000 1.076 446 T CB 1.914 70.741 68.868 -0.067 0.000 1.209 446 T HN 0.008 nan 8.240 nan 0.000 0.474 447 V N 3.955 123.821 119.914 -0.080 0.000 2.350 447 V HA 0.505 4.625 4.120 -0.000 0.000 0.285 447 V C -0.333 175.746 176.094 -0.026 0.000 1.014 447 V CA -0.729 61.522 62.300 -0.082 0.000 0.831 447 V CB 1.111 32.892 31.823 -0.070 0.000 1.000 447 V HN 0.777 nan 8.190 nan 0.000 0.433 448 I N 4.996 125.558 120.570 -0.013 0.000 2.336 448 I HA 0.463 4.633 4.170 -0.000 0.000 0.292 448 I C 0.204 176.343 176.117 0.037 0.000 0.991 448 I CA -0.420 60.891 61.300 0.017 0.000 1.227 448 I CB 1.212 39.226 38.000 0.024 0.000 1.366 448 I HN 0.373 nan 8.210 nan 0.000 0.466 449 K N 4.461 124.887 120.400 0.044 0.000 2.394 449 K HA 0.347 4.667 4.320 -0.000 0.000 0.260 449 K C 0.429 177.066 176.600 0.061 0.000 0.967 449 K CA -0.303 56.017 56.287 0.055 0.000 0.855 449 K CB 1.774 34.306 32.500 0.052 0.000 1.101 449 K HN 0.925 nan 8.250 nan 0.000 0.433 450 G N 2.049 110.888 108.800 0.066 0.000 2.283 450 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.280 450 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.280 450 G C 0.715 175.662 174.900 0.079 0.000 1.029 450 G CA 0.919 46.062 45.100 0.071 0.000 0.840 450 G HN 1.076 nan 8.290 nan 0.000 0.505 451 G N -2.088 106.752 108.800 0.067 0.000 2.176 451 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.232 451 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.232 451 G C 0.251 175.176 174.900 0.041 0.000 0.986 451 G CA 0.810 45.943 45.100 0.055 0.000 0.643 451 G HN 1.071 nan 8.290 nan 0.000 0.522 452 M N 0.515 120.143 119.600 0.047 0.000 2.465 452 M HA 0.535 5.015 4.480 -0.000 0.000 0.316 452 M C 0.224 176.552 176.300 0.047 0.000 1.121 452 M CA -0.866 54.460 55.300 0.044 0.000 0.934 452 M CB 2.171 34.804 32.600 0.055 0.000 1.692 452 M HN 0.059 nan 8.290 nan 0.000 0.444 453 I N 1.920 122.519 120.570 0.048 0.000 2.598 453 I HA 0.021 4.191 4.170 -0.000 0.000 0.284 453 I C 0.928 177.072 176.117 0.045 0.000 1.140 453 I CA 0.181 61.505 61.300 0.038 0.000 1.420 453 I CB 1.035 39.057 38.000 0.036 0.000 1.387 453 I HN 0.885 nan 8.210 nan 0.000 0.553 454 A N 7.197 130.034 122.820 0.028 0.000 2.085 454 A HA 0.425 4.745 4.320 -0.000 0.000 0.208 454 A C 0.588 178.178 177.584 0.009 0.000 1.191 454 A CA 0.483 52.533 52.037 0.022 0.000 0.799 454 A CB 0.441 19.456 19.000 0.027 0.000 0.877 454 A HN 0.652 nan 8.150 nan 0.000 0.473 455 I N -2.087 118.493 120.570 0.017 0.000 2.828 455 I HA 0.591 4.761 4.170 -0.000 0.000 0.295 455 I C -1.453 174.702 176.117 0.064 0.000 1.459 455 I CA -0.342 60.984 61.300 0.043 0.000 1.015 455 I CB 2.127 40.169 38.000 0.071 0.000 1.345 455 I HN 0.272 nan 8.210 nan 0.000 0.449 456 A N 5.693 128.549 122.820 0.060 0.000 2.586 456 A HA 0.807 5.127 4.320 -0.000 0.000 0.291 456 A C -3.124 174.307 177.584 -0.255 0.000 1.062 456 A CA -1.157 50.862 52.037 -0.029 0.000 0.666 456 A CB 1.511 20.469 19.000 -0.071 0.000 1.281 456 A HN 0.313 nan 8.150 nan 0.000 0.421 457 P HA 0.487 nan 4.420 nan 0.000 0.271 457 P C -0.759 176.315 177.300 -0.377 0.000 1.216 457 P CA 0.182 62.864 63.100 -0.696 0.000 0.771 457 P CB 0.523 31.833 31.700 -0.650 0.000 0.864 458 M N 3.082 122.468 119.600 -0.357 0.000 2.324 458 M HA 0.592 5.072 4.480 -0.000 0.000 0.288 458 M C -0.232 175.900 176.300 -0.279 0.000 1.097 458 M CA -0.402 54.736 55.300 -0.270 0.000 0.928 458 M CB 1.528 33.984 32.600 -0.239 0.000 1.648 458 M HN 0.396 nan 8.290 nan 0.000 0.460 459 G N 1.307 109.995 108.800 -0.188 0.000 2.525 459 G HA2 0.268 4.228 3.960 -0.000 0.000 0.287 459 G HA3 0.268 4.228 3.960 -0.000 0.000 0.287 459 G C -0.876 173.952 174.900 -0.120 0.000 1.350 459 G CA -0.581 44.434 45.100 -0.143 0.000 1.039 459 G HN 0.748 nan 8.290 nan 0.000 0.513 460 D N -0.156 120.201 120.400 -0.071 0.000 2.793 460 D HA -0.110 4.530 4.640 -0.000 0.000 0.230 460 D C 1.742 178.013 176.300 -0.049 0.000 1.139 460 D CA -0.243 53.731 54.000 -0.044 0.000 0.838 460 D CB 0.261 41.047 40.800 -0.024 0.000 1.149 460 D HN 0.041 nan 8.370 nan 0.000 0.526 461 I N 3.733 124.275 120.570 -0.047 0.000 2.361 461 I HA -0.226 3.944 4.170 -0.000 0.000 0.251 461 I C 1.873 177.976 176.117 -0.023 0.000 1.133 461 I CA 1.036 62.311 61.300 -0.041 0.000 1.413 461 I CB -1.134 36.843 38.000 -0.038 0.000 1.073 461 I HN 0.458 nan 8.210 nan 0.000 0.424 462 N N 0.839 119.529 118.700 -0.016 0.000 2.336 462 N HA 0.130 4.870 4.740 -0.000 0.000 0.189 462 N C 0.679 176.183 175.510 -0.010 0.000 1.113 462 N CA 0.170 53.214 53.050 -0.010 0.000 0.858 462 N CB 0.254 38.738 38.487 -0.005 0.000 0.970 462 N HN 0.266 nan 8.380 nan 0.000 0.471 463 A N -0.460 122.351 122.820 -0.015 0.000 2.366 463 A HA 0.246 4.566 4.320 -0.000 0.000 0.250 463 A C 1.469 179.046 177.584 -0.012 0.000 1.099 463 A CA 0.262 52.291 52.037 -0.014 0.000 0.794 463 A CB 0.008 18.996 19.000 -0.020 0.000 1.056 463 A HN 0.465 nan 8.150 nan 0.000 0.499 464 S N -0.213 115.481 115.700 -0.011 0.000 2.428 464 S HA 0.082 4.552 4.470 -0.000 0.000 0.230 464 S C 0.635 175.229 174.600 -0.009 0.000 1.014 464 S CA 1.115 59.310 58.200 -0.008 0.000 0.957 464 S CB -0.902 62.294 63.200 -0.008 0.000 0.784 464 S HN 0.800 nan 8.310 nan 0.000 0.499 465 I N -2.623 117.939 120.570 -0.014 0.000 3.074 465 I HA 0.464 4.634 4.170 -0.000 0.000 0.310 465 I C -2.451 173.651 176.117 -0.025 0.000 1.153 465 I CA -2.865 58.426 61.300 -0.016 0.000 0.993 465 I CB 1.782 39.773 38.000 -0.015 0.000 1.237 465 I HN -0.334 nan 8.210 nan 0.000 0.443 466 P HA -0.029 nan 4.420 nan 0.000 0.245 466 P C 1.001 178.262 177.300 -0.065 0.000 1.212 466 P CA 0.916 63.987 63.100 -0.048 0.000 0.774 466 P CB 0.064 31.737 31.700 -0.045 0.000 0.999 467 T N -4.385 110.138 114.554 -0.053 0.000 3.054 467 T HA 0.194 4.544 4.350 -0.000 0.000 0.259 467 T C -1.504 173.165 174.700 -0.052 0.000 1.092 467 T CA -0.392 61.673 62.100 -0.058 0.000 1.121 467 T CB -1.923 66.917 68.868 -0.046 0.000 0.912 467 T HN 0.131 nan 8.240 nan 0.000 0.489 468 P HA 0.181 nan 4.420 nan 0.000 0.269 468 P C 0.137 177.417 177.300 -0.034 0.000 1.215 468 P CA -0.145 62.936 63.100 -0.031 0.000 0.780 468 P CB 0.372 32.058 31.700 -0.023 0.000 0.898 469 Q N 2.597 122.385 119.800 -0.021 0.000 2.417 469 Q HA 0.202 4.542 4.340 -0.000 0.000 0.241 469 Q C -1.898 174.106 176.000 0.006 0.000 1.008 469 Q CA -1.211 54.587 55.803 -0.008 0.000 0.901 469 Q CB -0.568 28.170 28.738 0.000 0.000 1.259 469 Q HN 0.396 nan 8.270 nan 0.000 0.489 470 P HA 0.198 nan 4.420 nan 0.000 0.285 470 P C -0.824 176.507 177.300 0.052 0.000 1.259 470 P CA -0.322 62.822 63.100 0.073 0.000 0.794 470 P CB 0.889 32.676 31.700 0.145 0.000 0.940 471 V N 5.379 125.301 119.914 0.013 0.000 2.350 471 V HA 0.339 4.459 4.120 -0.000 0.000 0.276 471 V C 0.186 176.265 176.094 -0.026 0.000 1.028 471 V CA -0.116 62.130 62.300 -0.089 0.000 0.860 471 V CB 0.071 31.816 31.823 -0.131 0.000 0.990 471 V HN 0.857 nan 8.190 nan 0.000 0.453 472 H N 2.119 121.110 119.070 -0.132 0.000 3.016 472 H HA 0.635 5.191 4.556 -0.000 0.000 0.362 472 H C -1.465 173.771 175.328 -0.153 0.000 1.233 472 H CA -1.141 54.850 56.048 -0.096 0.000 1.124 472 H CB 0.735 30.508 29.762 0.020 0.000 1.850 472 H HN 0.369 nan 8.280 nan 0.000 0.549 473 Y N 1.266 121.621 120.300 0.093 0.000 2.632 473 Y HA 0.252 4.802 4.550 -0.000 0.000 0.329 473 Y C 0.608 176.523 175.900 0.024 0.000 1.174 473 Y CA 0.404 58.515 58.100 0.018 0.000 1.469 473 Y CB 0.506 38.983 38.460 0.029 0.000 1.242 473 Y HN 0.394 nan 8.280 nan 0.000 0.540 474 R N 4.059 124.587 120.500 0.046 0.000 2.673 474 R HA 0.392 4.732 4.340 -0.000 0.000 0.281 474 R C -3.018 173.271 176.300 -0.019 0.000 0.991 474 R CA -2.343 53.756 56.100 -0.002 0.000 0.896 474 R CB 1.679 31.911 30.300 -0.114 0.000 1.201 474 R HN 0.318 nan 8.270 nan 0.000 0.457 475 P HA 0.038 nan 4.420 nan 0.000 0.268 475 P C -0.387 176.830 177.300 -0.137 0.000 1.204 475 P CA 0.186 63.253 63.100 -0.054 0.000 0.768 475 P CB 0.606 32.276 31.700 -0.051 0.000 0.842 476 M N 1.850 121.371 119.600 -0.133 0.000 2.734 476 M HA 0.337 4.816 4.480 -0.000 0.000 0.264 476 M C 1.406 177.559 176.300 -0.245 0.000 1.080 476 M CA -0.684 54.477 55.300 -0.232 0.000 0.981 476 M CB -0.550 32.000 32.600 -0.084 0.000 1.514 476 M HN 0.229 nan 8.290 nan 0.000 0.569 477 F N 0.577 120.511 119.950 -0.027 0.000 2.250 477 F HA -0.065 4.462 4.527 -0.000 0.000 0.301 477 F C 2.244 178.024 175.800 -0.032 0.000 1.077 477 F CA 1.427 59.407 58.000 -0.032 0.000 1.348 477 F CB -0.954 38.024 39.000 -0.036 0.000 1.040 477 F HN 0.742 nan 8.300 nan 0.000 0.509 478 G N -0.613 108.263 108.800 0.128 0.000 2.559 478 G HA2 0.004 3.964 3.960 -0.000 0.000 0.216 478 G HA3 0.004 3.964 3.960 -0.000 0.000 0.216 478 G C 1.498 176.417 174.900 0.031 0.000 1.126 478 G CA 0.627 45.771 45.100 0.074 0.000 0.778 478 G HN 0.431 nan 8.290 nan 0.000 0.543 479 A N -0.304 122.518 122.820 0.003 0.000 2.430 479 A HA 0.596 4.916 4.320 -0.000 0.000 0.243 479 A C 0.584 178.141 177.584 -0.045 0.000 1.254 479 A CA -0.338 51.687 52.037 -0.019 0.000 0.914 479 A CB 0.153 19.139 19.000 -0.023 0.000 0.998 479 A HN 0.241 nan 8.150 nan 0.000 0.515 480 L N -0.121 121.078 121.223 -0.039 0.000 2.289 480 L HA 0.475 4.815 4.340 -0.000 0.000 0.285 480 L C 1.653 178.461 176.870 -0.103 0.000 1.049 480 L CA -0.184 54.624 54.840 -0.053 0.000 0.804 480 L CB 1.078 43.133 42.059 -0.007 0.000 1.195 480 L HN 0.515 nan 8.230 nan 0.000 0.428 481 G N 2.410 111.122 108.800 -0.146 0.000 2.699 481 G HA2 -0.413 3.547 3.960 -0.000 0.000 0.408 481 G HA3 -0.413 3.547 3.960 -0.000 0.000 0.408 481 G C 1.152 175.770 174.900 -0.469 0.000 1.112 481 G CA 1.036 45.988 45.100 -0.247 0.000 0.885 481 G HN 0.631 nan 8.290 nan 0.000 0.690 482 S N 0.688 116.241 115.700 -0.246 0.000 2.419 482 S HA 0.083 4.553 4.470 -0.000 0.000 0.233 482 S C 2.706 177.273 174.600 -0.055 0.000 1.016 482 S CA 1.762 59.886 58.200 -0.127 0.000 0.974 482 S CB -0.461 62.753 63.200 0.022 0.000 0.786 482 S HN 1.148 nan 8.310 nan 0.000 0.492 483 A N 1.754 124.541 122.820 -0.055 0.000 1.930 483 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 483 A C 2.068 179.665 177.584 0.022 0.000 1.175 483 A CA 1.147 53.185 52.037 0.002 0.000 0.627 483 A CB -0.465 18.546 19.000 0.018 0.000 0.815 483 A HN 0.414 nan 8.150 nan 0.000 0.443 484 R N -0.631 119.828 120.500 -0.067 0.000 2.073 484 R HA -0.193 4.147 4.340 -0.000 0.000 0.234 484 R C 1.945 178.266 176.300 0.034 0.000 1.134 484 R CA 2.028 58.099 56.100 -0.048 0.000 0.952 484 R CB -0.585 29.640 30.300 -0.125 0.000 0.850 484 R HN 0.783 nan 8.270 nan 0.000 0.433 485 H N -2.063 117.031 119.070 0.040 0.000 2.387 485 H HA -0.181 4.374 4.556 -0.000 0.000 0.299 485 H C 2.015 177.355 175.328 0.022 0.000 1.099 485 H CA 1.647 57.705 56.048 0.017 0.000 1.315 485 H CB -0.135 29.636 29.762 0.016 0.000 1.380 485 H HN 0.452 nan 8.280 nan 0.000 0.513 486 H N -0.723 118.407 119.070 0.100 0.000 2.495 486 H HA 0.002 4.558 4.556 -0.000 0.000 0.287 486 H C 1.203 176.547 175.328 0.026 0.000 1.033 486 H CA 1.056 57.133 56.048 0.048 0.000 1.307 486 H CB 0.225 30.006 29.762 0.032 0.000 1.401 486 H HN 0.302 nan 8.280 nan 0.000 0.555 487 C N 1.575 120.960 119.300 0.142 0.000 2.855 487 C HA 0.285 4.745 4.460 -0.000 0.000 0.279 487 C C 0.598 175.611 174.990 0.039 0.000 1.270 487 C CA -0.356 58.718 59.018 0.093 0.000 1.702 487 C CB -1.356 26.444 27.740 0.100 0.000 1.949 487 C HN 0.515 nan 8.230 nan 0.000 0.618 488 R N -0.045 120.463 120.500 0.012 0.000 2.888 488 R HA 0.844 5.184 4.340 -0.000 0.000 0.266 488 R C -1.611 174.631 176.300 -0.098 0.000 1.020 488 R CA -0.694 55.396 56.100 -0.017 0.000 0.963 488 R CB 0.999 31.308 30.300 0.015 0.000 1.197 488 R HN 0.089 nan 8.270 nan 0.000 0.481 489 L N 0.642 121.758 121.223 -0.178 0.000 2.381 489 L HA 0.490 4.830 4.340 -0.000 0.000 0.268 489 L C -0.678 175.938 176.870 -0.423 0.000 0.997 489 L CA -0.949 53.670 54.840 -0.369 0.000 0.818 489 L CB 2.789 44.461 42.059 -0.646 0.000 1.310 489 L HN 0.737 nan 8.230 nan 0.000 0.416 490 T N 2.152 116.482 114.554 -0.374 0.000 2.772 490 T HA 0.518 4.868 4.350 -0.000 0.000 0.288 490 T C -0.500 174.031 174.700 -0.281 0.000 0.994 490 T CA -0.261 61.695 62.100 -0.240 0.000 0.951 490 T CB 0.308 69.099 68.868 -0.128 0.000 0.933 490 T HN 0.092 nan 8.240 nan 0.000 0.447 491 F N 3.249 123.217 119.950 0.028 0.000 2.396 491 F HA 0.551 5.078 4.527 -0.000 0.000 0.343 491 F C 0.444 176.269 175.800 0.042 0.000 1.104 491 F CA -0.759 57.267 58.000 0.043 0.000 1.161 491 F CB 0.661 39.699 39.000 0.063 0.000 1.146 491 F HN 0.192 nan 8.300 nan 0.000 0.522 492 L N 1.568 122.925 121.223 0.223 0.000 2.309 492 L HA 0.516 4.856 4.340 -0.000 0.000 0.261 492 L C -0.200 176.752 176.870 0.137 0.000 1.021 492 L CA -1.076 53.846 54.840 0.136 0.000 0.823 492 L CB 2.423 44.526 42.059 0.073 0.000 1.366 492 L HN 0.655 nan 8.230 nan 0.000 0.423 493 S N -0.554 115.203 115.700 0.094 0.000 2.617 493 S HA 0.188 4.658 4.470 -0.000 0.000 0.269 493 S C 0.511 175.148 174.600 0.062 0.000 1.292 493 S CA -0.579 57.667 58.200 0.077 0.000 1.010 493 S CB 1.420 64.654 63.200 0.055 0.000 0.944 493 S HN 0.687 nan 8.310 nan 0.000 0.536 494 Q N 1.042 120.872 119.800 0.050 0.000 2.135 494 Q HA -0.134 4.206 4.340 -0.000 0.000 0.204 494 Q C 2.472 178.488 176.000 0.026 0.000 0.981 494 Q CA 1.666 57.491 55.803 0.037 0.000 0.856 494 Q CB -0.635 28.117 28.738 0.023 0.000 0.902 494 Q HN 0.931 nan 8.270 nan 0.000 0.425 495 A N 1.041 123.874 122.820 0.023 0.000 1.902 495 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 495 A C 2.294 179.888 177.584 0.016 0.000 1.181 495 A CA 1.631 53.677 52.037 0.016 0.000 0.623 495 A CB -0.830 18.178 19.000 0.014 0.000 0.818 495 A HN 0.408 nan 8.150 nan 0.000 0.443 496 A N -0.162 122.671 122.820 0.021 0.000 1.898 496 A HA 0.192 4.512 4.320 -0.000 0.000 0.216 496 A C 2.525 180.117 177.584 0.014 0.000 1.181 496 A CA 2.033 54.080 52.037 0.017 0.000 0.620 496 A CB -1.083 17.931 19.000 0.023 0.000 0.819 496 A HN 1.075 nan 8.150 nan 0.000 0.442 497 A N -0.009 122.823 122.820 0.021 0.000 1.883 497 A HA 0.073 4.393 4.320 -0.000 0.000 0.217 497 A C 2.506 180.096 177.584 0.010 0.000 1.186 497 A CA 2.382 54.430 52.037 0.017 0.000 0.624 497 A CB -1.054 17.963 19.000 0.030 0.000 0.822 497 A HN 1.105 nan 8.150 nan 0.000 0.444 498 A N -0.133 122.694 122.820 0.011 0.000 1.930 498 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 498 A C 1.746 179.332 177.584 0.003 0.000 1.175 498 A CA 1.583 53.623 52.037 0.007 0.000 0.627 498 A CB -0.544 18.460 19.000 0.007 0.000 0.815 498 A HN 0.524 nan 8.150 nan 0.000 0.443 499 N N -0.371 118.331 118.700 0.003 0.000 2.550 499 N HA 0.052 4.792 4.740 -0.000 0.000 0.186 499 N C 1.113 176.621 175.510 -0.004 0.000 1.110 499 N CA 1.091 54.141 53.050 0.000 0.000 0.912 499 N CB -0.119 38.369 38.487 0.001 0.000 0.968 499 N HN 0.677 nan 8.380 nan 0.000 0.448 500 G N -0.023 108.775 108.800 -0.005 0.000 2.198 500 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.257 500 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.257 500 G C 0.995 175.886 174.900 -0.016 0.000 1.042 500 G CA 0.389 45.483 45.100 -0.010 0.000 0.791 500 G HN 0.212 nan 8.290 nan 0.000 0.502 501 V N 0.120 120.025 119.914 -0.015 0.000 2.332 501 V HA -0.154 3.966 4.120 -0.000 0.000 0.248 501 V C 3.223 179.296 176.094 -0.034 0.000 1.055 501 V CA 3.129 65.415 62.300 -0.022 0.000 1.038 501 V CB -0.908 30.905 31.823 -0.016 0.000 0.651 501 V HN 1.023 nan 8.190 nan 0.000 0.450 502 A N -0.212 122.588 122.820 -0.034 0.000 1.908 502 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 502 A C 2.104 179.658 177.584 -0.051 0.000 1.181 502 A CA 2.076 54.084 52.037 -0.048 0.000 0.627 502 A CB -0.437 18.535 19.000 -0.046 0.000 0.818 502 A HN 0.568 nan 8.150 nan 0.000 0.445 503 E N -0.691 119.486 120.200 -0.039 0.000 2.072 503 E HA -0.077 4.273 4.350 -0.000 0.000 0.190 503 E C 2.144 178.721 176.600 -0.037 0.000 0.982 503 E CA 1.121 57.499 56.400 -0.036 0.000 0.803 503 E CB -0.276 29.409 29.700 -0.026 0.000 0.755 503 E HN 0.625 nan 8.360 nan 0.000 0.453 504 R N 0.393 120.872 120.500 -0.034 0.000 2.073 504 R HA -0.047 4.293 4.340 -0.000 0.000 0.234 504 R C 1.805 178.076 176.300 -0.047 0.000 1.134 504 R CA 1.148 57.228 56.100 -0.034 0.000 0.952 504 R CB -0.186 30.097 30.300 -0.029 0.000 0.850 504 R HN 0.198 nan 8.270 nan 0.000 0.433 505 L N 0.457 121.645 121.223 -0.059 0.000 2.554 505 L HA 0.034 4.374 4.340 -0.000 0.000 0.226 505 L C 0.590 177.412 176.870 -0.081 0.000 1.137 505 L CA 0.202 54.996 54.840 -0.078 0.000 0.863 505 L CB -0.375 41.630 42.059 -0.091 0.000 0.985 505 L HN 0.449 nan 8.230 nan 0.000 0.451 506 N N 1.183 119.840 118.700 -0.071 0.000 2.756 506 N HA -0.176 4.564 4.740 -0.000 0.000 0.248 506 N C -0.455 174.994 175.510 -0.102 0.000 1.062 506 N CA -0.133 52.873 53.050 -0.074 0.000 0.696 506 N CB -0.440 38.009 38.487 -0.063 0.000 0.946 506 N HN 0.046 nan 8.380 nan 0.000 0.548 507 L N 1.482 122.639 121.223 -0.109 0.000 2.455 507 L HA 0.077 4.417 4.340 -0.000 0.000 0.272 507 L C 1.798 178.561 176.870 -0.177 0.000 1.174 507 L CA 0.726 55.479 54.840 -0.144 0.000 0.869 507 L CB 0.933 42.919 42.059 -0.121 0.000 1.130 507 L HN 0.158 nan 8.230 nan 0.000 0.474 508 R N 0.440 120.766 120.500 -0.291 0.000 2.223 508 R HA 0.162 4.502 4.340 -0.000 0.000 0.198 508 R C 0.570 176.692 176.300 -0.296 0.000 0.984 508 R CA 0.194 56.075 56.100 -0.364 0.000 1.018 508 R CB 0.015 29.892 30.300 -0.706 0.000 0.945 508 R HN 0.630 nan 8.270 nan 0.000 0.479 509 S N 0.274 115.814 115.700 -0.266 0.000 2.645 509 S HA 0.538 5.008 4.470 -0.000 0.000 0.266 509 S C 0.118 174.646 174.600 -0.119 0.000 1.258 509 S CA -0.547 57.582 58.200 -0.117 0.000 0.990 509 S CB 1.214 64.364 63.200 -0.082 0.000 0.967 509 S HN 0.372 nan 8.310 nan 0.000 0.556 510 A N 1.359 124.104 122.820 -0.125 0.000 2.445 510 A HA 0.441 4.761 4.320 -0.000 0.000 0.242 510 A C -0.148 177.336 177.584 -0.165 0.000 1.075 510 A CA -0.112 51.834 52.037 -0.153 0.000 0.777 510 A CB -0.222 18.667 19.000 -0.186 0.000 1.013 510 A HN 0.588 nan 8.150 nan 0.000 0.493 511 I N 0.755 121.242 120.570 -0.138 0.000 2.441 511 I HA 0.608 4.778 4.170 -0.000 0.000 0.295 511 I C 0.468 176.516 176.117 -0.115 0.000 0.994 511 I CA -0.169 61.053 61.300 -0.130 0.000 1.144 511 I CB 1.189 39.146 38.000 -0.072 0.000 1.314 511 I HN 0.743 nan 8.210 nan 0.000 0.445 512 A N 5.981 128.721 122.820 -0.133 0.000 2.435 512 A HA 0.809 5.129 4.320 -0.000 0.000 0.304 512 A C -1.029 176.677 177.584 0.203 0.000 1.064 512 A CA -0.518 51.523 52.037 0.007 0.000 0.727 512 A CB 1.731 20.659 19.000 -0.120 0.000 1.284 512 A HN 0.373 nan 8.150 nan 0.000 0.415 513 V N 2.149 122.232 119.914 0.282 0.000 2.483 513 V HA 0.544 4.664 4.120 -0.000 0.000 0.295 513 V C 0.439 176.741 176.094 0.347 0.000 1.035 513 V CA -0.579 61.877 62.300 0.261 0.000 0.896 513 V CB 1.440 33.353 31.823 0.151 0.000 0.986 513 V HN 1.036 nan 8.190 nan 0.000 0.447 514 V N 2.633 122.703 119.914 0.260 0.000 2.732 514 V HA 0.799 4.919 4.120 -0.000 0.000 0.297 514 V C -0.345 175.804 176.094 0.092 0.000 1.060 514 V CA -0.474 61.953 62.300 0.212 0.000 1.038 514 V CB 0.966 32.864 31.823 0.126 0.000 1.003 514 V HN 1.092 nan 8.190 nan 0.000 0.481 515 K N 1.953 122.371 120.400 0.030 0.000 2.578 515 K HA 0.682 5.002 4.320 -0.000 0.000 0.269 515 K C 0.053 176.619 176.600 -0.056 0.000 0.941 515 K CA -0.542 55.715 56.287 -0.051 0.000 0.847 515 K CB 1.400 33.819 32.500 -0.134 0.000 1.397 515 K HN 1.973 nan 8.250 nan 0.000 0.422 516 G N 0.849 109.620 108.800 -0.050 0.000 2.149 516 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.235 516 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.235 516 G C 0.525 175.398 174.900 -0.044 0.000 1.018 516 G CA 0.089 45.161 45.100 -0.046 0.000 0.728 516 G HN 0.671 nan 8.290 nan 0.000 0.508 517 C N -0.285 118.988 119.300 -0.045 0.000 2.495 517 C HA 0.153 4.613 4.460 -0.000 0.000 0.275 517 C C 2.561 177.508 174.990 -0.073 0.000 1.392 517 C CA 0.987 59.964 59.018 -0.068 0.000 1.766 517 C CB -0.455 27.247 27.740 -0.064 0.000 1.933 517 C HN 0.589 nan 8.230 nan 0.000 0.519 518 R N 1.198 121.666 120.500 -0.054 0.000 2.173 518 R HA -0.004 4.336 4.340 -0.000 0.000 0.208 518 R C 1.966 178.238 176.300 -0.046 0.000 1.035 518 R CA 1.564 57.634 56.100 -0.049 0.000 1.004 518 R CB -1.324 28.954 30.300 -0.038 0.000 0.917 518 R HN 0.690 nan 8.270 nan 0.000 0.462 519 T N -0.968 113.560 114.554 -0.045 0.000 3.081 519 T HA 0.104 4.454 4.350 -0.000 0.000 0.250 519 T C 1.122 175.796 174.700 -0.044 0.000 1.100 519 T CA -0.193 61.883 62.100 -0.040 0.000 1.038 519 T CB -0.363 68.484 68.868 -0.035 0.000 0.962 519 T HN -0.034 nan 8.240 nan 0.000 0.516 520 V N 1.505 121.386 119.914 -0.056 0.000 2.686 520 V HA 0.560 4.680 4.120 -0.000 0.000 0.295 520 V C -0.295 175.762 176.094 -0.061 0.000 1.055 520 V CA -1.049 61.214 62.300 -0.062 0.000 1.050 520 V CB 0.612 32.386 31.823 -0.081 0.000 0.984 520 V HN 0.685 nan 8.190 nan 0.000 0.482 521 Q N 1.752 121.519 119.800 -0.055 0.000 2.553 521 Q HA 0.528 4.868 4.340 -0.000 0.000 0.293 521 Q C 0.344 176.314 176.000 -0.049 0.000 1.038 521 Q CA -1.105 54.669 55.803 -0.047 0.000 0.777 521 Q CB 1.700 30.420 28.738 -0.031 0.000 1.487 521 Q HN 0.365 nan 8.270 nan 0.000 0.426 522 K N 0.888 121.264 120.400 -0.040 0.000 2.113 522 K HA -0.151 4.169 4.320 -0.000 0.000 0.208 522 K C 1.735 178.316 176.600 -0.032 0.000 1.047 522 K CA 2.408 58.672 56.287 -0.038 0.000 0.928 522 K CB -0.821 31.665 32.500 -0.023 0.000 0.716 522 K HN 0.676 nan 8.250 nan 0.000 0.446 523 A N 0.476 123.281 122.820 -0.025 0.000 2.070 523 A HA -0.126 4.194 4.320 -0.000 0.000 0.220 523 A C 1.363 178.930 177.584 -0.028 0.000 1.159 523 A CA 1.801 53.827 52.037 -0.018 0.000 0.656 523 A CB -0.356 18.636 19.000 -0.013 0.000 0.800 523 A HN 0.391 nan 8.150 nan 0.000 0.453 524 D N -0.518 119.857 120.400 -0.042 0.000 2.348 524 D HA 0.028 4.668 4.640 -0.000 0.000 0.211 524 D C 0.361 176.614 176.300 -0.078 0.000 0.998 524 D CA 0.275 54.242 54.000 -0.055 0.000 0.873 524 D CB -0.121 40.645 40.800 -0.056 0.000 0.925 524 D HN 0.284 nan 8.370 nan 0.000 0.524 525 M N 1.878 121.433 119.600 -0.074 0.000 2.364 525 M HA 0.045 4.525 4.480 -0.000 0.000 0.342 525 M C -0.020 176.216 176.300 -0.105 0.000 1.601 525 M CA -0.125 55.121 55.300 -0.090 0.000 1.156 525 M CB 0.479 33.036 32.600 -0.071 0.000 1.912 525 M HN -0.317 nan 8.290 nan 0.000 0.460 526 V N 6.591 126.396 119.914 -0.182 0.000 2.475 526 V HA -0.115 4.005 4.120 -0.000 0.000 0.292 526 V C 1.165 177.127 176.094 -0.219 0.000 1.003 526 V CA 0.480 62.590 62.300 -0.316 0.000 1.120 526 V CB -0.980 30.540 31.823 -0.504 0.000 0.937 526 V HN 0.898 nan 8.190 nan 0.000 0.476 527 H N 2.633 121.721 119.070 0.031 0.000 3.366 527 H HA -0.160 4.396 4.556 -0.000 0.000 0.233 527 H C 0.608 175.961 175.328 0.041 0.000 1.102 527 H CA 1.352 57.445 56.048 0.075 0.000 1.184 527 H CB -1.316 28.420 29.762 -0.043 0.000 1.216 527 H HN 0.852 nan 8.280 nan 0.000 0.317 528 N N 0.079 118.831 118.700 0.087 0.000 2.687 528 N HA 0.134 4.874 4.740 -0.000 0.000 0.275 528 N C 0.190 175.714 175.510 0.023 0.000 1.789 528 N CA 0.659 53.735 53.050 0.045 0.000 0.806 528 N CB 1.011 39.499 38.487 0.002 0.000 1.256 528 N HN 0.292 nan 8.380 nan 0.000 0.500 529 S N -0.737 114.988 115.700 0.041 0.000 2.593 529 S HA 0.150 4.620 4.470 -0.000 0.000 0.236 529 S C 0.425 175.040 174.600 0.024 0.000 0.991 529 S CA -0.395 57.817 58.200 0.020 0.000 0.963 529 S CB 0.306 63.518 63.200 0.019 0.000 0.865 529 S HN 0.251 nan 8.310 nan 0.000 0.488 530 L N 2.751 123.996 121.223 0.036 0.000 2.455 530 L HA 0.299 4.639 4.340 -0.000 0.000 0.272 530 L C -0.151 176.731 176.870 0.020 0.000 1.174 530 L CA 0.944 55.803 54.840 0.031 0.000 0.869 530 L CB 0.418 42.501 42.059 0.040 0.000 1.130 530 L HN 0.296 nan 8.230 nan 0.000 0.474 531 Q N 7.045 126.848 119.800 0.006 0.000 2.607 531 Q HA 0.389 4.729 4.340 -0.000 0.000 0.247 531 Q C -2.243 173.747 176.000 -0.017 0.000 1.033 531 Q CA -1.714 54.082 55.803 -0.011 0.000 0.769 531 Q CB 1.068 29.788 28.738 -0.030 0.000 1.169 531 Q HN 0.545 nan 8.270 nan 0.000 0.508 532 P HA 0.073 nan 4.420 nan 0.000 0.277 532 P C -0.610 176.678 177.300 -0.021 0.000 1.240 532 P CA -0.510 62.587 63.100 -0.005 0.000 0.798 532 P CB 0.908 32.615 31.700 0.011 0.000 0.979 533 N N 2.489 121.177 118.700 -0.021 0.000 2.605 533 N HA 0.132 4.872 4.740 -0.000 0.000 0.258 533 N C -0.575 174.928 175.510 -0.012 0.000 1.156 533 N CA -0.206 52.828 53.050 -0.027 0.000 1.008 533 N CB -1.003 37.470 38.487 -0.023 0.000 1.354 533 N HN 0.426 nan 8.380 nan 0.000 0.509 534 I N 2.250 122.817 120.570 -0.005 0.000 2.392 534 I HA 0.464 4.634 4.170 -0.000 0.000 0.295 534 I C -0.394 175.732 176.117 0.016 0.000 0.985 534 I CA -0.340 60.967 61.300 0.012 0.000 1.221 534 I CB 1.150 39.168 38.000 0.031 0.000 1.366 534 I HN 0.471 nan 8.210 nan 0.000 0.467 535 T N 3.932 118.495 114.554 0.015 0.000 2.906 535 T HA 0.686 5.036 4.350 -0.000 0.000 0.295 535 T C -0.913 173.800 174.700 0.022 0.000 1.061 535 T CA -0.724 61.386 62.100 0.017 0.000 1.000 535 T CB 1.846 70.719 68.868 0.008 0.000 1.103 535 T HN 0.288 nan 8.240 nan 0.000 0.486 536 V N 2.007 121.936 119.914 0.025 0.000 2.483 536 V HA 0.386 4.506 4.120 -0.000 0.000 0.297 536 V C -0.359 175.761 176.094 0.043 0.000 1.027 536 V CA -0.903 61.420 62.300 0.039 0.000 0.855 536 V CB 1.679 33.527 31.823 0.042 0.000 0.995 536 V HN 1.061 nan 8.190 nan 0.000 0.424 537 D N 3.582 124.014 120.400 0.054 0.000 2.371 537 D HA 0.216 4.856 4.640 -0.000 0.000 0.256 537 D C 1.125 177.477 176.300 0.087 0.000 1.193 537 D CA 0.467 54.492 54.000 0.041 0.000 0.881 537 D CB 2.092 42.902 40.800 0.017 0.000 1.143 537 D HN 0.666 nan 8.370 nan 0.000 0.473 538 A N 4.312 127.162 122.820 0.049 0.000 1.978 538 A HA -0.262 4.058 4.320 -0.000 0.000 0.220 538 A C 1.924 179.564 177.584 0.093 0.000 1.170 538 A CA 1.625 53.708 52.037 0.077 0.000 0.636 538 A CB -0.122 18.870 19.000 -0.014 0.000 0.810 538 A HN 0.675 nan 8.150 nan 0.000 0.448 539 Q N -1.146 118.637 119.800 -0.028 0.000 2.107 539 Q HA -0.021 4.319 4.340 -0.000 0.000 0.195 539 Q C 2.226 177.994 176.000 -0.386 0.000 0.964 539 Q CA 1.744 57.455 55.803 -0.153 0.000 0.833 539 Q CB -0.343 28.331 28.738 -0.107 0.000 0.910 539 Q HN 0.763 nan 8.270 nan 0.000 0.465 540 T N -3.102 111.301 114.554 -0.251 0.000 3.067 540 T HA -0.030 4.320 4.350 -0.000 0.000 0.257 540 T C -0.101 174.474 174.700 -0.208 0.000 1.105 540 T CA 0.211 62.146 62.100 -0.275 0.000 1.104 540 T CB -0.013 68.785 68.868 -0.117 0.000 0.925 540 T HN 0.275 nan 8.240 nan 0.000 0.498 541 Y N 0.440 120.726 120.300 -0.023 0.000 4.907 541 Y HA -0.186 4.364 4.550 -0.000 0.000 0.246 541 Y C 0.262 176.144 175.900 -0.030 0.000 0.968 541 Y CA -0.269 57.816 58.100 -0.026 0.000 1.961 541 Y CB -2.867 35.575 38.460 -0.030 0.000 1.487 541 Y HN 0.514 nan 8.280 nan 0.000 0.575 542 E N 0.445 120.703 120.200 0.096 0.000 2.384 542 E HA 0.346 4.696 4.350 -0.000 0.000 0.266 542 E C 0.006 176.628 176.600 0.036 0.000 1.012 542 E CA -0.081 56.346 56.400 0.044 0.000 0.901 542 E CB 1.102 30.811 29.700 0.014 0.000 0.967 542 E HN 0.023 nan 8.360 nan 0.000 0.435 543 V N 4.603 124.527 119.914 0.016 0.000 2.394 543 V HA 0.359 4.479 4.120 -0.000 0.000 0.282 543 V C 0.140 176.235 176.094 0.001 0.000 1.031 543 V CA -0.419 61.886 62.300 0.007 0.000 0.881 543 V CB 1.112 32.929 31.823 -0.011 0.000 0.982 543 V HN 0.607 nan 8.190 nan 0.000 0.451 544 R N 2.937 123.440 120.500 0.004 0.000 2.686 544 R HA 0.788 5.128 4.340 -0.000 0.000 0.283 544 R C -1.684 174.617 176.300 0.001 0.000 0.978 544 R CA -0.756 55.344 56.100 0.001 0.000 0.897 544 R CB 2.675 32.976 30.300 0.002 0.000 1.192 544 R HN 0.486 nan 8.270 nan 0.000 0.457 545 V N 2.995 122.909 119.914 -0.001 0.000 2.407 545 V HA 0.164 4.284 4.120 -0.000 0.000 0.291 545 V C -0.366 175.727 176.094 -0.002 0.000 1.018 545 V CA -0.533 61.766 62.300 -0.001 0.000 0.842 545 V CB 1.516 33.339 31.823 -0.001 0.000 0.996 545 V HN 0.873 nan 8.190 nan 0.000 0.426 546 D N 4.392 124.790 120.400 -0.004 0.000 2.837 546 D HA -0.212 4.428 4.640 -0.000 0.000 0.230 546 D C 1.356 177.654 176.300 -0.003 0.000 1.152 546 D CA 1.706 55.703 54.000 -0.004 0.000 0.736 546 D CB -1.021 39.777 40.800 -0.004 0.000 1.084 546 D HN 1.365 nan 8.370 nan 0.000 0.429 547 G N 0.027 108.826 108.800 -0.003 0.000 2.284 547 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.247 547 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.247 547 G C 0.156 175.055 174.900 -0.001 0.000 1.012 547 G CA 0.754 45.853 45.100 -0.002 0.000 0.618 547 G HN 0.706 nan 8.290 nan 0.000 0.521 548 E N 1.164 121.363 120.200 -0.001 0.000 2.313 548 E HA 0.552 4.902 4.350 -0.000 0.000 0.276 548 E C 0.138 176.737 176.600 -0.001 0.000 1.031 548 E CA -0.987 55.413 56.400 -0.000 0.000 0.857 548 E CB 1.600 31.301 29.700 0.001 0.000 1.040 548 E HN 0.413 nan 8.360 nan 0.000 0.408 549 L N 4.428 125.651 121.223 -0.000 0.000 2.410 549 L HA 0.159 4.499 4.340 -0.000 0.000 0.273 549 L C -0.786 176.083 176.870 -0.002 0.000 1.144 549 L CA -0.055 54.784 54.840 -0.001 0.000 0.863 549 L CB 0.447 42.506 42.059 0.001 0.000 1.140 549 L HN 0.575 nan 8.230 nan 0.000 0.463 550 I N 5.272 125.837 120.570 -0.008 0.000 2.321 550 I HA 0.475 4.645 4.170 -0.000 0.000 0.291 550 I C 0.336 176.442 176.117 -0.019 0.000 0.998 550 I CA -0.056 61.235 61.300 -0.014 0.000 1.227 550 I CB 0.702 38.686 38.000 -0.026 0.000 1.368 550 I HN 0.708 nan 8.210 nan 0.000 0.466 551 T N 4.096 118.646 114.554 -0.008 0.000 2.693 551 T HA 0.712 5.062 4.350 -0.000 0.000 0.304 551 T C -1.133 173.585 174.700 0.030 0.000 1.471 551 T CA -0.280 61.819 62.100 -0.002 0.000 0.993 551 T CB 1.521 70.395 68.868 0.010 0.000 1.554 551 T HN 0.791 nan 8.240 nan 0.000 0.496 552 S N 0.758 116.502 115.700 0.074 0.000 2.615 552 S HA 0.753 5.223 4.470 -0.000 0.000 0.269 552 S C -1.853 172.877 174.600 0.217 0.000 1.161 552 S CA -0.986 57.289 58.200 0.124 0.000 0.817 552 S CB 1.851 65.130 63.200 0.132 0.000 1.131 552 S HN 0.635 nan 8.310 nan 0.000 0.467 553 E N 1.909 122.197 120.200 0.147 0.000 2.204 553 E HA 0.526 4.876 4.350 -0.000 0.000 0.276 553 E C -2.596 173.958 176.600 -0.078 0.000 0.974 553 E CA -2.235 54.208 56.400 0.073 0.000 0.815 553 E CB 1.490 31.201 29.700 0.017 0.000 1.119 553 E HN 0.496 nan 8.360 nan 0.000 0.393 554 P HA 0.136 nan 4.420 nan 0.000 0.276 554 P C -0.859 176.262 177.300 -0.298 0.000 1.230 554 P CA -0.266 62.399 63.100 -0.725 0.000 0.776 554 P CB 0.842 31.942 31.700 -0.999 0.000 0.888 555 A N 3.212 125.910 122.820 -0.203 0.000 2.354 555 A HA 0.229 4.549 4.320 -0.000 0.000 0.269 555 A C 1.226 178.761 177.584 -0.081 0.000 1.109 555 A CA -0.406 51.580 52.037 -0.085 0.000 0.800 555 A CB 0.092 19.081 19.000 -0.017 0.000 1.045 555 A HN 0.660 nan 8.150 nan 0.000 0.489 556 D N 0.839 121.211 120.400 -0.046 0.000 2.338 556 D HA 0.085 4.725 4.640 -0.000 0.000 0.208 556 D C 0.089 176.380 176.300 -0.014 0.000 0.997 556 D CA 0.567 54.545 54.000 -0.035 0.000 0.880 556 D CB 0.060 40.844 40.800 -0.028 0.000 0.980 556 D HN 0.199 nan 8.370 nan 0.000 0.509 557 V N 0.778 120.692 119.914 0.000 0.000 2.888 557 V HA 0.425 4.545 4.120 -0.000 0.000 0.309 557 V C -0.671 175.435 176.094 0.019 0.000 1.114 557 V CA -0.875 61.430 62.300 0.009 0.000 0.940 557 V CB 2.711 34.540 31.823 0.010 0.000 1.021 557 V HN 0.055 nan 8.190 nan 0.000 0.426 558 L N 4.072 125.301 121.223 0.010 0.000 2.333 558 L HA 0.668 5.008 4.340 -0.000 0.000 0.263 558 L C -2.488 174.356 176.870 -0.044 0.000 1.014 558 L CA -1.747 53.087 54.840 -0.009 0.000 0.820 558 L CB 2.875 44.940 42.059 0.011 0.000 1.352 558 L HN 0.459 nan 8.230 nan 0.000 0.421 559 P HA 0.365 nan 4.420 nan 0.000 0.279 559 P C -0.385 176.925 177.300 0.016 0.000 1.282 559 P CA -0.573 62.455 63.100 -0.120 0.000 0.788 559 P CB 0.398 31.892 31.700 -0.342 0.000 1.139 560 M N -2.483 117.199 119.600 0.136 0.000 2.302 560 M HA -0.274 4.206 4.480 -0.000 0.000 0.200 560 M C 0.194 176.669 176.300 0.293 0.000 0.366 560 M CA 0.750 56.130 55.300 0.132 0.000 0.440 560 M CB -2.126 30.460 32.600 -0.023 0.000 1.475 560 M HN 0.502 nan 8.290 nan 0.000 0.905 561 A N -0.374 122.661 122.820 0.358 0.000 2.677 561 A HA 0.318 4.638 4.320 -0.000 0.000 0.197 561 A C 0.963 178.769 177.584 0.369 0.000 1.471 561 A CA 0.177 52.415 52.037 0.335 0.000 1.527 561 A CB 0.059 19.150 19.000 0.152 0.000 1.695 561 A HN 0.445 nan 8.150 nan 0.000 0.557 562 Q N -0.182 119.730 119.800 0.188 0.000 2.443 562 Q HA -0.146 4.194 4.340 -0.000 0.000 0.213 562 Q C 1.887 177.907 176.000 0.034 0.000 0.982 562 Q CA 1.441 57.318 55.803 0.122 0.000 0.894 562 Q CB -0.131 28.640 28.738 0.055 0.000 0.947 562 Q HN 0.536 nan 8.270 nan 0.000 0.480 563 R N -0.588 119.879 120.500 -0.055 0.000 2.240 563 R HA -0.089 4.251 4.340 -0.000 0.000 0.203 563 R C 0.723 176.741 176.300 -0.469 0.000 1.011 563 R CA 0.872 56.779 56.100 -0.322 0.000 1.007 563 R CB 0.306 30.286 30.300 -0.533 0.000 0.911 563 R HN 0.278 nan 8.270 nan 0.000 0.468 564 Y N -1.832 118.414 120.300 -0.091 0.000 2.535 564 Y HA 0.263 4.813 4.550 -0.000 0.000 0.264 564 Y C -0.047 175.612 175.900 -0.401 0.000 1.087 564 Y CA -0.465 57.477 58.100 -0.263 0.000 1.285 564 Y CB 0.520 38.703 38.460 -0.461 0.000 1.200 564 Y HN -0.166 nan 8.280 nan 0.000 0.514 565 F N -0.084 119.980 119.950 0.191 0.000 2.422 565 F HA 0.273 4.800 4.527 -0.000 0.000 0.333 565 F C 0.805 176.625 175.800 0.033 0.000 1.095 565 F CA -0.845 57.233 58.000 0.130 0.000 1.038 565 F CB 1.410 40.489 39.000 0.132 0.000 1.156 565 F HN -0.208 nan 8.300 nan 0.000 0.483 566 L N 2.036 123.369 121.223 0.183 0.000 2.217 566 L HA 0.160 4.500 4.340 -0.000 0.000 0.211 566 L C -0.447 176.205 176.870 -0.364 0.000 1.107 566 L CA 1.743 56.516 54.840 -0.113 0.000 0.783 566 L CB -0.374 41.615 42.059 -0.118 0.000 0.919 566 L HN 0.449 nan 8.230 nan 0.000 0.442 567 F N 0.000 120.041 119.950 0.152 0.000 2.286 567 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 567 F CA 0.000 58.051 58.000 0.084 0.000 1.383 567 F CB 0.000 39.031 39.000 0.051 0.000 1.145 567 F HN 0.000 nan 8.300 nan 0.000 0.574