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 3i01_1_N DATA FIRST_RESID 2 DATA SEQUENCE TDFDKIFEGA IPEGKEPVAL FREVYHGAIT ATSYAEILLN QAIRTYGPDH DATA SEQUENCE PVGYPDTAYY LPVIRCFSGE EVKKLGDLPP ILNRKRAQVS PVLNFENARL DATA SEQUENCE AGEATWYAAE IIEALRYLKY KPDEPLLPPP WTGFIGDPVV RRFGIKMVDW DATA SEQUENCE TIPGEAIILG RAKDSKALAK IVKELMGMGF MLFICDEAVE QLLEENVKLG DATA SEQUENCE IDYIAYPLGN FTQIVHAANY ALRAGMMFGG VTPGAREEQR DYQRRRIRAF DATA SEQUENCE VLYLGEHDMV KTAAAFGAIF TGFPVITDQP LPEDKQIPDW FFSVEDYDKI DATA SEQUENCE VQIAMETRGI KLTKIKLDLP INFGPAFEGE SIRKGDMYVE MGGNRTPAFE DATA SEQUENCE LVRTVSESEI TDGKIEVIGP DIDQIPEGSK LPLGILVDIY GRKMQADFEG DATA SEQUENCE VLERRIHDFI NYGEGLWHTG QRNINWLRVS KDAVAKGFRF KNYGEILVAK DATA SEQUENCE MKEEFPAIVD RVQVTIFTDE AKVKEYMEVA REKYKERDDR MRGLTDETVD DATA SEQUENCE TFYSCVLCQS FAPNHVCIVT PERVGLCGAV SWLDAKASYE INHAGPNQPI DATA SEQUENCE PKEGEIDPIK GIWKSVNDYL YTASNRNLEQ VCLYTLMENP MTSCGCFEAI DATA SEQUENCE MAILPECNGI MITTRDHAGM TPSGMTFSTL AGMIGGGTQT PGFMGIGRTY DATA SEQUENCE IVSKKFISAD GGIARIVWMP KSLKDFLHDE FVRRSVEEGL GEDFIDKIAD DATA SEQUENCE ETIGTTVDEI LPYLEEKGHP ALTMDPIM 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 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.705 174.700 0.008 0.000 1.109 2 T CA 0.000 62.100 62.100 -0.001 0.000 1.349 2 T CB 0.000 68.872 68.868 0.007 0.000 0.612 3 D N 0.063 120.470 120.400 0.013 0.000 2.191 3 D HA -0.236 4.404 4.640 0.001 0.000 0.190 3 D C 1.510 177.817 176.300 0.012 0.000 1.007 3 D CA 2.571 56.577 54.000 0.011 0.000 0.865 3 D CB -0.272 40.541 40.800 0.022 0.000 0.929 3 D HN 0.490 nan 8.370 nan 0.000 0.447 4 F N 1.283 121.177 119.950 -0.094 0.000 2.120 4 F HA -0.185 4.342 4.527 0.001 0.000 0.300 4 F C 1.787 177.483 175.800 -0.174 0.000 1.095 4 F CA 1.786 59.705 58.000 -0.135 0.000 1.249 4 F CB -0.322 38.583 39.000 -0.159 0.000 0.995 4 F HN -0.031 nan 8.300 nan 0.000 0.480 5 D N 0.331 120.674 120.400 -0.096 0.000 2.351 5 D HA -0.188 4.453 4.640 0.001 0.000 0.216 5 D C 2.023 178.209 176.300 -0.190 0.000 0.968 5 D CA 0.725 54.668 54.000 -0.095 0.000 0.899 5 D CB -0.337 40.467 40.800 0.006 0.000 0.907 5 D HN 0.388 nan 8.370 nan 0.000 0.514 6 K N 0.885 121.152 120.400 -0.220 0.000 2.280 6 K HA -0.117 4.203 4.320 0.001 0.000 0.202 6 K C 2.147 178.598 176.600 -0.248 0.000 1.047 6 K CA 0.486 56.671 56.287 -0.170 0.000 0.942 6 K CB -0.090 32.338 32.500 -0.121 0.000 0.739 6 K HN 0.296 nan 8.250 nan 0.000 0.457 7 I N -2.688 117.571 120.570 -0.518 0.000 2.830 7 I HA -0.107 4.063 4.170 0.001 0.000 0.263 7 I C 0.950 176.847 176.117 -0.366 0.000 1.230 7 I CA 1.064 62.049 61.300 -0.524 0.000 1.480 7 I CB -0.210 37.340 38.000 -0.750 0.000 1.095 7 I HN -0.054 nan 8.210 nan 0.000 0.455 8 F N 1.515 121.392 119.950 -0.122 0.000 2.754 8 F HA 0.274 4.801 4.527 0.001 0.000 0.297 8 F C 1.134 177.001 175.800 0.112 0.000 1.122 8 F CA -0.399 57.562 58.000 -0.065 0.000 1.400 8 F CB -0.111 38.545 39.000 -0.574 0.000 1.117 8 F HN -0.011 nan 8.300 nan 0.000 0.587 9 E N 0.727 121.026 120.200 0.164 0.000 2.415 9 E HA 0.222 4.573 4.350 0.001 0.000 0.263 9 E C 1.190 177.882 176.600 0.153 0.000 0.995 9 E CA 0.668 57.150 56.400 0.136 0.000 0.915 9 E CB 0.539 30.270 29.700 0.053 0.000 0.951 9 E HN 0.414 nan 8.360 nan 0.000 0.449 10 G N 2.469 111.359 108.800 0.151 0.000 2.184 10 G HA2 -0.392 3.569 3.960 0.001 0.000 0.264 10 G HA3 -0.392 3.569 3.960 0.001 0.000 0.264 10 G C 0.938 175.934 174.900 0.160 0.000 0.975 10 G CA 0.472 45.647 45.100 0.125 0.000 0.642 10 G HN 0.652 nan 8.290 nan 0.000 0.536 11 A N -0.429 122.549 122.820 0.264 0.000 1.898 11 A HA 0.507 4.828 4.320 0.001 0.000 0.214 11 A C 1.264 178.973 177.584 0.208 0.000 1.183 11 A CA 1.233 53.455 52.037 0.308 0.000 0.622 11 A CB -0.009 19.357 19.000 0.610 0.000 0.824 11 A HN 0.807 nan 8.150 nan 0.000 0.444 12 I N 1.779 122.471 120.570 0.203 0.000 2.291 12 I HA 0.220 4.390 4.170 0.001 0.000 0.292 12 I C -2.313 173.863 176.117 0.097 0.000 1.064 12 I CA -1.974 59.402 61.300 0.126 0.000 1.269 12 I CB 1.101 39.182 38.000 0.134 0.000 1.418 12 I HN 0.084 nan 8.210 nan 0.000 0.485 13 P HA -0.000 nan 4.420 nan 0.000 0.269 13 P C -0.177 177.148 177.300 0.043 0.000 1.217 13 P CA -0.330 62.797 63.100 0.045 0.000 0.783 13 P CB 0.495 32.211 31.700 0.026 0.000 0.898 14 E N 0.872 121.094 120.200 0.036 0.000 2.452 14 E HA 0.191 4.541 4.350 0.001 0.000 0.261 14 E C 0.876 177.492 176.600 0.026 0.000 0.987 14 E CA 0.642 57.062 56.400 0.033 0.000 0.926 14 E CB -0.313 29.403 29.700 0.026 0.000 0.934 14 E HN 0.735 nan 8.360 nan 0.000 0.452 15 G N 4.307 113.123 108.800 0.028 0.000 2.305 15 G HA2 -0.280 3.680 3.960 0.001 0.000 0.287 15 G HA3 -0.280 3.680 3.960 0.001 0.000 0.287 15 G C 0.240 175.147 174.900 0.012 0.000 1.036 15 G CA 0.474 45.586 45.100 0.019 0.000 0.887 15 G HN 0.501 nan 8.290 nan 0.000 0.505 16 K N -0.065 120.343 120.400 0.014 0.000 2.706 16 K HA 0.127 4.448 4.320 0.001 0.000 0.203 16 K C 0.243 176.827 176.600 -0.027 0.000 1.102 16 K CA -0.499 55.785 56.287 -0.005 0.000 1.058 16 K CB 0.785 33.285 32.500 0.001 0.000 0.779 16 K HN 0.370 nan 8.250 nan 0.000 0.483 17 E N 3.128 123.324 120.200 -0.008 0.000 2.729 17 E HA -0.065 4.285 4.350 0.001 0.000 0.246 17 E C -2.012 174.458 176.600 -0.216 0.000 0.984 17 E CA -0.915 55.468 56.400 -0.029 0.000 0.951 17 E CB 0.240 29.986 29.700 0.076 0.000 0.914 17 E HN 0.109 nan 8.360 nan 0.000 0.509 18 P HA 0.042 nan 4.420 nan 0.000 0.220 18 P C 0.958 177.775 177.300 -0.806 0.000 1.806 18 P CA -0.059 62.704 63.100 -0.562 0.000 0.976 18 P CB 0.087 31.439 31.700 -0.579 0.000 1.952 19 V N 1.922 121.574 119.914 -0.436 0.000 2.317 19 V HA -0.338 3.782 4.120 0.001 0.000 0.251 19 V C 2.660 178.638 176.094 -0.192 0.000 1.065 19 V CA 2.733 64.913 62.300 -0.200 0.000 1.049 19 V CB -1.425 30.370 31.823 -0.045 0.000 0.651 19 V HN 0.349 nan 8.190 nan 0.000 0.450 20 A N -0.520 122.185 122.820 -0.191 0.000 1.930 20 A HA -0.168 4.152 4.320 0.001 0.000 0.217 20 A C 2.144 179.617 177.584 -0.185 0.000 1.175 20 A CA 1.947 53.899 52.037 -0.141 0.000 0.627 20 A CB -0.532 18.413 19.000 -0.093 0.000 0.815 20 A HN 0.455 nan 8.150 nan 0.000 0.443 21 L N -0.926 120.122 121.223 -0.291 0.000 2.012 21 L HA -0.125 4.216 4.340 0.001 0.000 0.210 21 L C 2.137 178.821 176.870 -0.310 0.000 1.073 21 L CA 2.023 56.660 54.840 -0.338 0.000 0.748 21 L CB -0.986 40.801 42.059 -0.454 0.000 0.891 21 L HN 0.354 nan 8.230 nan 0.000 0.431 22 F N 0.096 119.881 119.950 -0.276 0.000 2.161 22 F HA -0.183 4.344 4.527 0.001 0.000 0.300 22 F C 2.825 178.481 175.800 -0.240 0.000 1.089 22 F CA 1.630 59.460 58.000 -0.284 0.000 1.282 22 F CB -1.192 37.696 39.000 -0.186 0.000 1.010 22 F HN 0.175 nan 8.300 nan 0.000 0.485 23 R N 0.538 121.006 120.500 -0.054 0.000 2.090 23 R HA -0.153 4.187 4.340 0.001 0.000 0.228 23 R C 2.248 178.350 176.300 -0.329 0.000 1.110 23 R CA 1.402 57.397 56.100 -0.174 0.000 0.973 23 R CB -0.320 29.854 30.300 -0.211 0.000 0.869 23 R HN 0.389 nan 8.270 nan 0.000 0.440 24 E N -0.073 119.998 120.200 -0.216 0.000 2.058 24 E HA -0.175 4.176 4.350 0.001 0.000 0.194 24 E C 1.803 178.350 176.600 -0.089 0.000 0.997 24 E CA 1.641 57.969 56.400 -0.120 0.000 0.801 24 E CB 0.081 29.752 29.700 -0.049 0.000 0.746 24 E HN 0.209 nan 8.360 nan 0.000 0.450 25 V N 0.746 120.549 119.914 -0.186 0.000 2.287 25 V HA -0.292 3.828 4.120 0.001 0.000 0.248 25 V C 2.181 178.252 176.094 -0.037 0.000 1.053 25 V CA 2.260 64.434 62.300 -0.210 0.000 1.027 25 V CB -0.826 30.672 31.823 -0.542 0.000 0.646 25 V HN 0.456 nan 8.190 nan 0.000 0.447 26 Y N 0.426 120.643 120.300 -0.138 0.000 2.128 26 Y HA -0.333 4.217 4.550 0.001 0.000 0.284 26 Y C 2.616 178.565 175.900 0.082 0.000 1.154 26 Y CA 2.305 60.373 58.100 -0.053 0.000 1.149 26 Y CB -0.353 38.062 38.460 -0.074 0.000 0.976 26 Y HN 0.381 nan 8.280 nan 0.000 0.505 27 H N -1.183 117.808 119.070 -0.132 0.000 2.321 27 H HA -0.117 4.440 4.556 0.001 0.000 0.300 27 H C 2.396 177.658 175.328 -0.109 0.000 1.087 27 H CA 0.399 56.328 56.048 -0.199 0.000 1.319 27 H CB -0.433 29.284 29.762 -0.074 0.000 1.379 27 H HN 0.552 nan 8.280 nan 0.000 0.501 28 G N 0.464 109.322 108.800 0.098 0.000 2.440 28 G HA2 -0.288 3.672 3.960 0.001 0.000 0.218 28 G HA3 -0.288 3.672 3.960 0.001 0.000 0.218 28 G C 1.814 176.751 174.900 0.062 0.000 1.154 28 G CA 0.876 46.027 45.100 0.085 0.000 0.767 28 G HN 0.478 nan 8.290 nan 0.000 0.552 29 A N 0.073 122.911 122.820 0.029 0.000 1.975 29 A HA 0.315 4.636 4.320 0.001 0.000 0.215 29 A C 2.338 179.922 177.584 0.001 0.000 1.170 29 A CA 0.577 52.630 52.037 0.026 0.000 0.656 29 A CB -0.142 18.869 19.000 0.018 0.000 0.821 29 A HN 0.346 nan 8.150 nan 0.000 0.449 30 I N -0.154 120.376 120.570 -0.067 0.000 2.142 30 I HA -0.245 3.926 4.170 0.001 0.000 0.240 30 I C 2.634 178.740 176.117 -0.018 0.000 1.078 30 I CA 1.831 63.078 61.300 -0.088 0.000 1.343 30 I CB -0.657 37.209 38.000 -0.223 0.000 1.046 30 I HN 0.249 nan 8.210 nan 0.000 0.405 31 T N 0.927 115.477 114.554 -0.006 0.000 2.607 31 T HA -0.276 4.075 4.350 0.001 0.000 0.267 31 T C 2.039 176.814 174.700 0.125 0.000 1.049 31 T CA 1.766 63.894 62.100 0.047 0.000 1.162 31 T CB -0.552 68.341 68.868 0.040 0.000 0.863 31 T HN 0.502 nan 8.240 nan 0.000 0.424 32 A N 1.827 124.722 122.820 0.125 0.000 1.865 32 A HA -0.180 4.141 4.320 0.001 0.000 0.217 32 A C 2.673 180.344 177.584 0.146 0.000 1.191 32 A CA 2.708 54.842 52.037 0.161 0.000 0.623 32 A CB -1.452 17.622 19.000 0.123 0.000 0.826 32 A HN 0.673 nan 8.150 nan 0.000 0.444 33 T N -2.943 111.667 114.554 0.094 0.000 2.821 33 T HA -0.080 4.271 4.350 0.001 0.000 0.267 33 T C 2.003 176.746 174.700 0.071 0.000 1.046 33 T CA 1.743 63.886 62.100 0.070 0.000 1.139 33 T CB -0.507 68.385 68.868 0.040 0.000 0.871 33 T HN 0.281 nan 8.240 nan 0.000 0.454 34 S N 0.605 116.355 115.700 0.084 0.000 2.371 34 S HA 0.016 4.486 4.470 0.001 0.000 0.224 34 S C 1.616 176.304 174.600 0.146 0.000 1.029 34 S CA 0.793 59.045 58.200 0.086 0.000 0.978 34 S CB -0.615 62.623 63.200 0.063 0.000 0.833 34 S HN 0.592 nan 8.310 nan 0.000 0.466 35 Y N 2.762 123.085 120.300 0.037 0.000 2.097 35 Y HA -0.172 4.379 4.550 0.001 0.000 0.282 35 Y C 2.469 178.397 175.900 0.048 0.000 1.152 35 Y CA 0.964 59.096 58.100 0.054 0.000 1.136 35 Y CB -1.095 37.417 38.460 0.086 0.000 0.975 35 Y HN 0.197 nan 8.280 nan 0.000 0.498 36 A N 0.333 123.112 122.820 -0.068 0.000 1.917 36 A HA -0.257 4.063 4.320 0.001 0.000 0.219 36 A C 2.293 179.831 177.584 -0.077 0.000 1.182 36 A CA 1.981 53.940 52.037 -0.130 0.000 0.633 36 A CB -0.939 18.042 19.000 -0.031 0.000 0.819 36 A HN 0.578 nan 8.150 nan 0.000 0.448 37 E N 0.221 120.412 120.200 -0.015 0.000 2.085 37 E HA -0.202 4.149 4.350 0.001 0.000 0.194 37 E C 1.941 178.533 176.600 -0.012 0.000 0.994 37 E CA 1.621 58.019 56.400 -0.004 0.000 0.801 37 E CB -0.294 29.416 29.700 0.017 0.000 0.743 37 E HN 0.683 nan 8.360 nan 0.000 0.453 38 I N 0.775 121.342 120.570 -0.004 0.000 2.142 38 I HA -0.312 3.858 4.170 0.001 0.000 0.240 38 I C 2.635 178.733 176.117 -0.033 0.000 1.078 38 I CA 0.854 62.158 61.300 0.006 0.000 1.343 38 I CB -0.308 37.731 38.000 0.066 0.000 1.046 38 I HN 0.108 nan 8.210 nan 0.000 0.405 39 L N -0.109 121.049 121.223 -0.108 0.000 2.042 39 L HA -0.244 4.096 4.340 0.001 0.000 0.210 39 L C 2.612 179.445 176.870 -0.061 0.000 1.076 39 L CA 1.042 55.812 54.840 -0.117 0.000 0.749 39 L CB -0.724 41.190 42.059 -0.242 0.000 0.893 39 L HN 0.318 nan 8.230 nan 0.000 0.432 40 L N 0.305 121.492 121.223 -0.059 0.000 2.005 40 L HA -0.161 4.180 4.340 0.001 0.000 0.207 40 L C 2.270 179.136 176.870 -0.006 0.000 1.072 40 L CA 1.844 56.668 54.840 -0.027 0.000 0.744 40 L CB -0.863 41.182 42.059 -0.024 0.000 0.895 40 L HN 0.215 nan 8.230 nan 0.000 0.433 41 N N -0.500 118.196 118.700 -0.008 0.000 2.188 41 N HA -0.200 4.540 4.740 0.001 0.000 0.184 41 N C 1.815 177.321 175.510 -0.007 0.000 1.018 41 N CA 1.201 54.249 53.050 -0.002 0.000 0.858 41 N CB -0.289 38.198 38.487 -0.001 0.000 0.989 41 N HN 0.453 nan 8.380 nan 0.000 0.426 42 Q N 1.299 121.092 119.800 -0.012 0.000 2.061 42 Q HA 0.006 4.346 4.340 0.001 0.000 0.204 42 Q C 1.889 177.873 176.000 -0.027 0.000 0.984 42 Q CA 1.968 57.758 55.803 -0.023 0.000 0.846 42 Q CB -0.632 28.095 28.738 -0.019 0.000 0.902 42 Q HN 0.326 nan 8.270 nan 0.000 0.421 43 A N 0.316 123.145 122.820 0.015 0.000 1.892 43 A HA -0.195 4.125 4.320 0.001 0.000 0.218 43 A C 2.196 179.842 177.584 0.103 0.000 1.188 43 A CA 1.759 53.856 52.037 0.101 0.000 0.631 43 A CB -0.918 18.165 19.000 0.139 0.000 0.822 43 A HN 0.508 nan 8.150 nan 0.000 0.447 44 I N -1.003 119.601 120.570 0.057 0.000 2.208 44 I HA -0.293 3.878 4.170 0.001 0.000 0.245 44 I C 2.762 178.885 176.117 0.011 0.000 1.097 44 I CA 1.546 62.875 61.300 0.049 0.000 1.363 44 I CB -0.367 37.652 38.000 0.032 0.000 1.051 44 I HN 0.306 nan 8.210 nan 0.000 0.413 45 R N -0.099 120.386 120.500 -0.026 0.000 2.115 45 R HA -0.098 4.242 4.340 0.001 0.000 0.230 45 R C 2.247 178.485 176.300 -0.103 0.000 1.111 45 R CA 1.766 57.837 56.100 -0.049 0.000 0.976 45 R CB -0.414 29.855 30.300 -0.051 0.000 0.870 45 R HN 0.359 nan 8.270 nan 0.000 0.445 46 T N -0.614 113.824 114.554 -0.193 0.000 2.894 46 T HA -0.034 4.317 4.350 0.001 0.000 0.258 46 T C 0.946 175.359 174.700 -0.479 0.000 1.043 46 T CA 1.074 62.931 62.100 -0.404 0.000 1.141 46 T CB -0.046 68.407 68.868 -0.691 0.000 0.873 46 T HN 0.228 nan 8.240 nan 0.000 0.449 47 Y N 0.781 121.017 120.300 -0.106 0.000 2.462 47 Y HA 0.477 5.028 4.550 0.001 0.000 0.253 47 Y C 1.450 177.343 175.900 -0.012 0.000 1.095 47 Y CA -0.182 57.839 58.100 -0.132 0.000 1.283 47 Y CB 0.210 38.429 38.460 -0.402 0.000 1.138 47 Y HN 0.339 nan 8.280 nan 0.000 0.522 48 G N 1.124 109.998 108.800 0.123 0.000 2.712 48 G HA2 -0.164 3.797 3.960 0.001 0.000 0.686 48 G HA3 -0.164 3.797 3.960 0.001 0.000 0.686 48 G C -2.136 172.836 174.900 0.119 0.000 1.321 48 G CA -0.503 44.659 45.100 0.103 0.000 0.813 48 G HN 0.006 nan 8.290 nan 0.000 0.599 49 P HA 0.080 nan 4.420 nan 0.000 0.229 49 P C 0.711 178.048 177.300 0.062 0.000 1.160 49 P CA 1.240 64.376 63.100 0.061 0.000 0.777 49 P CB 0.238 31.959 31.700 0.034 0.000 0.814 50 D N -1.956 118.485 120.400 0.070 0.000 2.349 50 D HA -0.051 4.590 4.640 0.001 0.000 0.215 50 D C 0.780 177.112 176.300 0.052 0.000 1.016 50 D CA 0.281 54.309 54.000 0.045 0.000 0.870 50 D CB -0.434 40.383 40.800 0.029 0.000 0.917 50 D HN 0.303 nan 8.370 nan 0.000 0.524 51 H N 1.996 121.071 119.070 0.008 0.000 3.034 51 H HA 0.045 4.601 4.556 0.001 0.000 0.324 51 H C -2.208 173.083 175.328 -0.062 0.000 1.015 51 H CA -0.953 55.082 56.048 -0.022 0.000 1.429 51 H CB 0.831 30.584 29.762 -0.016 0.000 1.429 51 H HN -0.113 nan 8.280 nan 0.000 0.585 52 P HA 0.036 nan 4.420 nan 0.000 0.272 52 P C -0.851 176.403 177.300 -0.077 0.000 1.223 52 P CA -0.131 62.859 63.100 -0.184 0.000 0.784 52 P CB 1.146 32.700 31.700 -0.242 0.000 0.923 53 V N 0.807 120.671 119.914 -0.083 0.000 2.971 53 V HA 0.915 5.036 4.120 0.001 0.000 0.309 53 V C -0.262 175.720 176.094 -0.186 0.000 1.130 53 V CA 0.193 62.426 62.300 -0.111 0.000 0.964 53 V CB 1.801 33.563 31.823 -0.101 0.000 1.029 53 V HN 0.904 nan 8.190 nan 0.000 0.427 54 G N 3.565 112.186 108.800 -0.298 0.000 2.327 54 G HA2 0.313 4.273 3.960 0.001 0.000 0.291 54 G HA3 0.313 4.273 3.960 0.001 0.000 0.291 54 G C -2.170 172.364 174.900 -0.610 0.000 1.290 54 G CA -0.530 44.302 45.100 -0.446 0.000 0.857 54 G HN 0.763 nan 8.290 nan 0.000 0.520 55 Y N 0.673 120.629 120.300 -0.572 0.000 2.549 55 Y HA 0.663 5.214 4.550 0.001 0.000 0.339 55 Y C -1.580 173.941 175.900 -0.631 0.000 1.053 55 Y CA -1.861 55.690 58.100 -0.914 0.000 1.105 55 Y CB 2.368 39.735 38.460 -1.821 0.000 1.258 55 Y HN 0.439 nan 8.280 nan 0.000 0.478 56 P HA 0.094 nan 4.420 nan 0.000 0.277 56 P C -0.956 176.309 177.300 -0.059 0.000 1.240 56 P CA -0.163 62.827 63.100 -0.184 0.000 0.798 56 P CB 0.856 32.426 31.700 -0.216 0.000 0.979 57 D N -2.018 118.374 120.400 -0.014 0.000 2.746 57 D HA -0.123 4.517 4.640 0.001 0.000 0.236 57 D C -0.197 176.149 176.300 0.077 0.000 1.129 57 D CA 1.308 55.332 54.000 0.039 0.000 0.691 57 D CB -1.916 38.921 40.800 0.062 0.000 1.077 57 D HN 0.496 nan 8.370 nan 0.000 0.432 58 T N -2.289 112.268 114.554 0.006 0.000 2.916 58 T HA 0.661 5.011 4.350 0.001 0.000 0.305 58 T C 0.440 175.024 174.700 -0.193 0.000 1.119 58 T CA 0.130 62.242 62.100 0.021 0.000 1.008 58 T CB 1.778 70.761 68.868 0.191 0.000 1.129 58 T HN -0.002 nan 8.240 nan 0.000 0.480 59 A N 2.573 125.199 122.820 -0.324 0.000 2.275 59 A HA 0.300 4.620 4.320 0.001 0.000 0.212 59 A C 0.402 177.413 177.584 -0.956 0.000 1.201 59 A CA 0.304 51.913 52.037 -0.713 0.000 0.843 59 A CB -0.328 18.155 19.000 -0.861 0.000 0.873 59 A HN 0.830 nan 8.150 nan 0.000 0.492 60 Y N -1.881 118.309 120.300 -0.183 0.000 2.658 60 Y HA 0.336 4.886 4.550 0.001 0.000 0.276 60 Y C 0.488 176.439 175.900 0.085 0.000 1.167 60 Y CA -0.819 57.267 58.100 -0.023 0.000 1.230 60 Y CB -0.699 37.755 38.460 -0.009 0.000 1.144 60 Y HN 0.351 nan 8.280 nan 0.000 0.529 61 Y N -1.932 118.346 120.300 -0.038 0.000 2.865 61 Y HA -0.405 4.146 4.550 0.001 0.000 0.468 61 Y C 0.310 176.188 175.900 -0.038 0.000 1.176 61 Y CA 0.061 58.120 58.100 -0.067 0.000 2.599 61 Y CB -1.207 37.211 38.460 -0.070 0.000 1.207 61 Y HN -0.149 nan 8.280 nan 0.000 0.627 62 L N 3.356 124.666 121.223 0.144 0.000 2.288 62 L HA 0.184 4.524 4.340 0.001 0.000 0.283 62 L C -1.867 175.074 176.870 0.119 0.000 1.072 62 L CA -1.653 53.246 54.840 0.098 0.000 0.862 62 L CB 0.888 42.919 42.059 -0.047 0.000 1.245 62 L HN 0.241 nan 8.230 nan 0.000 0.432 63 P HA -0.149 nan 4.420 nan 0.000 0.216 63 P C 1.840 179.105 177.300 -0.059 0.000 1.150 63 P CA 0.802 63.959 63.100 0.095 0.000 0.837 63 P CB 0.355 32.118 31.700 0.105 0.000 0.786 64 V N -0.173 119.674 119.914 -0.113 0.000 2.282 64 V HA -0.265 3.855 4.120 0.001 0.000 0.249 64 V C 2.385 178.309 176.094 -0.284 0.000 1.057 64 V CA 1.801 63.965 62.300 -0.227 0.000 1.032 64 V CB -1.107 30.615 31.823 -0.168 0.000 0.645 64 V HN 0.075 nan 8.190 nan 0.000 0.447 65 I N -0.345 120.028 120.570 -0.330 0.000 2.202 65 I HA -0.237 3.934 4.170 0.001 0.000 0.242 65 I C 2.743 178.827 176.117 -0.054 0.000 1.091 65 I CA 1.825 62.917 61.300 -0.347 0.000 1.368 65 I CB -0.411 37.410 38.000 -0.299 0.000 1.058 65 I HN 0.248 nan 8.210 nan 0.000 0.410 66 R N 0.614 121.103 120.500 -0.018 0.000 2.091 66 R HA -0.220 4.121 4.340 0.001 0.000 0.238 66 R C 2.483 178.814 176.300 0.052 0.000 1.136 66 R CA 2.071 58.200 56.100 0.047 0.000 0.959 66 R CB -0.936 29.457 30.300 0.155 0.000 0.856 66 R HN 0.476 nan 8.270 nan 0.000 0.437 67 C N -0.463 118.825 119.300 -0.019 0.000 2.473 67 C HA -0.011 4.450 4.460 0.001 0.000 0.279 67 C C 2.286 177.364 174.990 0.147 0.000 1.250 67 C CA 0.560 59.547 59.018 -0.052 0.000 1.713 67 C CB -1.177 26.371 27.740 -0.320 0.000 2.066 67 C HN 0.604 nan 8.230 nan 0.000 0.474 68 F N 1.577 121.618 119.950 0.151 0.000 2.367 68 F HA 0.100 4.628 4.527 0.001 0.000 0.298 68 F C 2.575 178.490 175.800 0.191 0.000 1.094 68 F CA 1.396 59.523 58.000 0.212 0.000 1.409 68 F CB -0.509 38.704 39.000 0.354 0.000 1.064 68 F HN 0.471 nan 8.300 nan 0.000 0.528 69 S N -2.935 112.987 115.700 0.370 0.000 2.728 69 S HA 0.473 4.943 4.470 0.001 0.000 0.257 69 S C 1.454 176.135 174.600 0.136 0.000 1.060 69 S CA 0.275 58.617 58.200 0.238 0.000 1.126 69 S CB 0.698 64.061 63.200 0.272 0.000 1.099 69 S HN 0.417 nan 8.310 nan 0.000 0.617 70 G N 1.046 109.912 108.800 0.110 0.000 2.175 70 G HA2 -0.209 3.751 3.960 0.001 0.000 0.244 70 G HA3 -0.209 3.751 3.960 0.001 0.000 0.244 70 G C -0.337 174.550 174.900 -0.023 0.000 0.982 70 G CA -0.054 45.073 45.100 0.045 0.000 0.641 70 G HN 0.538 nan 8.290 nan 0.000 0.527 71 E N 0.968 121.154 120.200 -0.023 0.000 2.373 71 E HA 0.467 4.817 4.350 0.001 0.000 0.267 71 E C 0.373 176.831 176.600 -0.236 0.000 1.032 71 E CA 0.082 56.423 56.400 -0.098 0.000 0.889 71 E CB 0.506 30.176 29.700 -0.049 0.000 0.984 71 E HN 0.505 nan 8.360 nan 0.000 0.425 72 E N 1.730 121.675 120.200 -0.425 0.000 2.069 72 E HA 0.148 4.499 4.350 0.001 0.000 0.254 72 E C -0.827 175.441 176.600 -0.553 0.000 1.088 72 E CA -0.314 55.496 56.400 -0.982 0.000 1.017 72 E CB 0.551 29.579 29.700 -1.120 0.000 1.226 72 E HN 0.150 nan 8.360 nan 0.000 0.458 73 V N 3.410 123.171 119.914 -0.255 0.000 2.446 73 V HA -0.033 4.088 4.120 0.001 0.000 0.276 73 V C 1.049 177.179 176.094 0.059 0.000 1.030 73 V CA 0.671 62.928 62.300 -0.071 0.000 1.033 73 V CB 0.662 32.458 31.823 -0.045 0.000 0.993 73 V HN 0.597 nan 8.190 nan 0.000 0.477 74 K N 3.652 124.063 120.400 0.018 0.000 2.474 74 K HA 0.224 4.544 4.320 0.001 0.000 0.202 74 K C 0.303 176.888 176.600 -0.025 0.000 1.248 74 K CA 0.035 56.342 56.287 0.033 0.000 0.946 74 K CB 0.811 33.336 32.500 0.042 0.000 1.102 74 K HN 0.749 nan 8.250 nan 0.000 0.541 75 K N -0.210 120.174 120.400 -0.027 0.000 2.480 75 K HA 0.343 4.663 4.320 0.001 0.000 0.258 75 K C 0.570 177.165 176.600 -0.008 0.000 0.990 75 K CA -0.720 55.555 56.287 -0.021 0.000 0.857 75 K CB 1.319 33.810 32.500 -0.014 0.000 1.384 75 K HN -0.236 nan 8.250 nan 0.000 0.446 76 L N 0.689 121.924 121.223 0.021 0.000 2.042 76 L HA -0.133 4.207 4.340 0.001 0.000 0.210 76 L C 2.264 179.143 176.870 0.015 0.000 1.076 76 L CA 2.030 56.883 54.840 0.022 0.000 0.749 76 L CB -0.691 41.401 42.059 0.056 0.000 0.893 76 L HN 1.094 nan 8.230 nan 0.000 0.432 77 G N -1.032 107.779 108.800 0.019 0.000 2.559 77 G HA2 -0.198 3.763 3.960 0.001 0.000 0.216 77 G HA3 -0.198 3.763 3.960 0.001 0.000 0.216 77 G C 1.056 175.957 174.900 0.001 0.000 1.126 77 G CA 0.421 45.529 45.100 0.012 0.000 0.778 77 G HN 0.297 nan 8.290 nan 0.000 0.543 78 D N 0.269 120.664 120.400 -0.007 0.000 2.224 78 D HA -0.001 4.640 4.640 0.001 0.000 0.205 78 D C 2.496 178.791 176.300 -0.008 0.000 0.965 78 D CA 0.355 54.345 54.000 -0.016 0.000 0.852 78 D CB 0.129 40.910 40.800 -0.032 0.000 0.947 78 D HN 0.329 nan 8.370 nan 0.000 0.494 79 L N 0.342 121.562 121.223 -0.004 0.000 2.162 79 L HA 0.009 4.349 4.340 0.001 0.000 0.205 79 L C -0.620 176.261 176.870 0.018 0.000 1.086 79 L CA 0.513 55.356 54.840 0.005 0.000 0.778 79 L CB -1.101 40.954 42.059 -0.007 0.000 0.928 79 L HN -0.033 nan 8.230 nan 0.000 0.446 80 P HA -0.170 nan 4.420 nan 0.000 0.216 80 P C -1.390 175.920 177.300 0.018 0.000 1.157 80 P CA 1.724 64.832 63.100 0.014 0.000 0.880 80 P CB -1.131 30.575 31.700 0.010 0.000 0.791 81 P HA -0.093 nan 4.420 nan 0.000 0.221 81 P C 1.548 178.864 177.300 0.027 0.000 1.150 81 P CA 1.299 64.408 63.100 0.015 0.000 0.800 81 P CB -0.398 31.307 31.700 0.009 0.000 0.787 82 I N -0.828 119.770 120.570 0.047 0.000 2.233 82 I HA -0.197 3.973 4.170 0.001 0.000 0.243 82 I C 2.479 178.659 176.117 0.104 0.000 1.093 82 I CA 0.810 62.167 61.300 0.096 0.000 1.380 82 I CB -0.762 37.322 38.000 0.139 0.000 1.067 82 I HN -0.115 nan 8.210 nan 0.000 0.413 83 L N 1.206 122.485 121.223 0.093 0.000 2.042 83 L HA -0.238 4.102 4.340 0.001 0.000 0.210 83 L C 2.170 179.058 176.870 0.030 0.000 1.076 83 L CA 1.929 56.815 54.840 0.077 0.000 0.749 83 L CB -0.978 41.117 42.059 0.059 0.000 0.893 83 L HN 0.208 nan 8.230 nan 0.000 0.432 84 N N -0.055 118.656 118.700 0.018 0.000 2.094 84 N HA -0.217 4.524 4.740 0.001 0.000 0.191 84 N C 2.015 177.516 175.510 -0.015 0.000 1.023 84 N CA 1.490 54.542 53.050 0.003 0.000 0.857 84 N CB -0.225 38.264 38.487 0.004 0.000 1.013 84 N HN 0.386 nan 8.380 nan 0.000 0.426 85 R N 0.545 121.031 120.500 -0.023 0.000 2.081 85 R HA -0.018 4.323 4.340 0.001 0.000 0.235 85 R C 1.832 178.073 176.300 -0.098 0.000 1.131 85 R CA 1.081 57.148 56.100 -0.055 0.000 0.960 85 R CB 0.088 30.354 30.300 -0.057 0.000 0.856 85 R HN 0.072 nan 8.270 nan 0.000 0.436 86 K N 0.175 120.500 120.400 -0.124 0.000 2.103 86 K HA -0.100 4.220 4.320 0.001 0.000 0.204 86 K C 1.895 178.448 176.600 -0.079 0.000 1.052 86 K CA 0.911 57.098 56.287 -0.166 0.000 0.945 86 K CB -0.283 32.100 32.500 -0.194 0.000 0.722 86 K HN 0.167 nan 8.250 nan 0.000 0.443 87 R N 0.807 121.286 120.500 -0.035 0.000 2.091 87 R HA -0.110 4.231 4.340 0.001 0.000 0.238 87 R C 1.935 178.229 176.300 -0.010 0.000 1.136 87 R CA 1.605 57.699 56.100 -0.010 0.000 0.959 87 R CB -0.144 30.158 30.300 0.002 0.000 0.856 87 R HN 0.141 nan 8.270 nan 0.000 0.437 88 A N 0.919 123.726 122.820 -0.023 0.000 2.066 88 A HA -0.150 4.171 4.320 0.001 0.000 0.218 88 A C 1.891 179.457 177.584 -0.030 0.000 1.157 88 A CA 1.144 53.169 52.037 -0.020 0.000 0.670 88 A CB -0.272 18.713 19.000 -0.024 0.000 0.804 88 A HN 0.662 nan 8.150 nan 0.000 0.453 89 Q N -0.246 119.520 119.800 -0.055 0.000 2.360 89 Q HA 0.182 4.523 4.340 0.001 0.000 0.202 89 Q C -0.657 175.312 176.000 -0.051 0.000 0.915 89 Q CA 0.191 55.952 55.803 -0.071 0.000 0.943 89 Q CB -0.055 28.611 28.738 -0.120 0.000 1.064 89 Q HN 0.241 nan 8.270 nan 0.000 0.511 90 V N 2.090 121.999 119.914 -0.008 0.000 2.408 90 V HA 0.200 4.321 4.120 0.001 0.000 0.267 90 V C -0.125 176.043 176.094 0.122 0.000 1.047 90 V CA -0.290 62.045 62.300 0.060 0.000 0.937 90 V CB 1.046 32.913 31.823 0.073 0.000 0.999 90 V HN 0.262 nan 8.190 nan 0.000 0.472 91 S N 6.747 122.486 115.700 0.065 0.000 2.454 91 S HA 0.545 5.016 4.470 0.001 0.000 0.306 91 S C -1.370 173.032 174.600 -0.331 0.000 1.100 91 S CA -1.535 56.631 58.200 -0.058 0.000 1.087 91 S CB 1.945 65.079 63.200 -0.109 0.000 1.019 91 S HN 0.625 nan 8.310 nan 0.000 0.480 92 P HA 0.042 nan 4.420 nan 0.000 0.237 92 P C -0.013 177.003 177.300 -0.474 0.000 1.178 92 P CA 0.234 62.846 63.100 -0.813 0.000 0.766 92 P CB -0.073 31.415 31.700 -0.355 0.000 0.876 93 V N 2.349 122.086 119.914 -0.296 0.000 2.415 93 V HA 0.037 4.158 4.120 0.001 0.000 0.267 93 V C 0.835 176.791 176.094 -0.229 0.000 1.042 93 V CA 0.005 62.182 62.300 -0.205 0.000 1.000 93 V CB 0.154 31.892 31.823 -0.142 0.000 1.015 93 V HN -0.000 nan 8.190 nan 0.000 0.478 94 L N 7.021 128.133 121.223 -0.185 0.000 2.261 94 L HA 0.509 4.850 4.340 0.001 0.000 0.289 94 L C 0.059 176.806 176.870 -0.205 0.000 1.059 94 L CA -0.113 54.626 54.840 -0.168 0.000 0.816 94 L CB 0.626 42.665 42.059 -0.033 0.000 1.191 94 L HN 0.943 nan 8.230 nan 0.000 0.431 95 N N 1.574 119.954 118.700 -0.534 0.000 3.106 95 N HA 0.190 4.930 4.740 0.001 0.000 0.253 95 N C 0.163 174.941 175.510 -1.221 0.000 1.506 95 N CA -0.926 51.663 53.050 -0.769 0.000 0.876 95 N CB 0.460 38.778 38.487 -0.282 0.000 1.452 95 N HN 0.254 nan 8.380 nan 0.000 0.542 96 F N -0.076 119.246 119.950 -1.047 0.000 2.102 96 F HA -0.122 4.406 4.527 0.001 0.000 0.298 96 F C 2.093 177.633 175.800 -0.433 0.000 1.105 96 F CA 1.389 59.006 58.000 -0.639 0.000 1.239 96 F CB 0.233 39.145 39.000 -0.147 0.000 0.991 96 F HN 0.750 nan 8.300 nan 0.000 0.474 97 E N 0.527 120.571 120.200 -0.260 0.000 2.023 97 E HA -0.284 4.067 4.350 0.001 0.000 0.196 97 E C 1.772 178.238 176.600 -0.224 0.000 1.003 97 E CA 1.605 57.822 56.400 -0.306 0.000 0.809 97 E CB -0.152 29.416 29.700 -0.220 0.000 0.755 97 E HN 0.347 nan 8.360 nan 0.000 0.449 98 N N 0.222 118.785 118.700 -0.229 0.000 2.205 98 N HA -0.159 4.582 4.740 0.001 0.000 0.186 98 N C 1.439 176.846 175.510 -0.172 0.000 1.015 98 N CA 1.195 54.127 53.050 -0.196 0.000 0.862 98 N CB -0.365 37.992 38.487 -0.217 0.000 0.986 98 N HN 0.243 nan 8.380 nan 0.000 0.429 99 A N 1.169 123.868 122.820 -0.202 0.000 1.897 99 A HA -0.047 4.274 4.320 0.001 0.000 0.215 99 A C 2.237 179.869 177.584 0.080 0.000 1.181 99 A CA 0.880 52.851 52.037 -0.110 0.000 0.620 99 A CB -0.313 18.625 19.000 -0.102 0.000 0.821 99 A HN 0.178 nan 8.150 nan 0.000 0.443 100 R N -0.489 120.086 120.500 0.125 0.000 2.091 100 R HA -0.092 4.249 4.340 0.001 0.000 0.238 100 R C 2.027 178.314 176.300 -0.022 0.000 1.136 100 R CA 1.572 57.719 56.100 0.078 0.000 0.959 100 R CB -0.576 29.597 30.300 -0.212 0.000 0.856 100 R HN 0.502 nan 8.270 nan 0.000 0.437 101 L N -0.030 121.141 121.223 -0.086 0.000 2.131 101 L HA -0.142 4.198 4.340 0.001 0.000 0.210 101 L C 2.632 179.350 176.870 -0.253 0.000 1.092 101 L CA 1.027 55.743 54.840 -0.206 0.000 0.759 101 L CB -0.516 41.458 42.059 -0.142 0.000 0.903 101 L HN 0.268 nan 8.230 nan 0.000 0.435 102 A N 0.298 123.030 122.820 -0.146 0.000 1.898 102 A HA -0.089 4.232 4.320 0.001 0.000 0.216 102 A C 2.413 179.935 177.584 -0.105 0.000 1.181 102 A CA 1.509 53.488 52.037 -0.098 0.000 0.620 102 A CB -1.164 17.811 19.000 -0.041 0.000 0.819 102 A HN 0.421 nan 8.150 nan 0.000 0.442 103 G N -0.333 108.409 108.800 -0.097 0.000 2.491 103 G HA2 -0.335 3.626 3.960 0.001 0.000 0.218 103 G HA3 -0.335 3.626 3.960 0.001 0.000 0.218 103 G C 1.514 176.187 174.900 -0.379 0.000 1.180 103 G CA 1.211 46.231 45.100 -0.133 0.000 0.774 103 G HN 0.650 nan 8.290 nan 0.000 0.562 104 E N 0.518 120.332 120.200 -0.643 0.000 2.051 104 E HA -0.095 4.256 4.350 0.001 0.000 0.192 104 E C 2.868 179.338 176.600 -0.216 0.000 0.991 104 E CA 1.024 56.987 56.400 -0.728 0.000 0.799 104 E CB -0.275 28.521 29.700 -1.506 0.000 0.748 104 E HN 0.332 nan 8.360 nan 0.000 0.449 105 A N 0.309 122.983 122.820 -0.242 0.000 1.940 105 A HA -0.189 4.131 4.320 0.001 0.000 0.219 105 A C 2.354 179.985 177.584 0.078 0.000 1.176 105 A CA 2.161 54.135 52.037 -0.106 0.000 0.631 105 A CB -0.930 18.003 19.000 -0.112 0.000 0.814 105 A HN 0.347 nan 8.150 nan 0.000 0.446 106 T N -1.841 112.758 114.554 0.075 0.000 2.867 106 T HA -0.142 4.209 4.350 0.001 0.000 0.268 106 T C 1.473 176.364 174.700 0.318 0.000 1.057 106 T CA 1.163 63.360 62.100 0.162 0.000 1.136 106 T CB -0.275 68.678 68.868 0.142 0.000 0.874 106 T HN 0.676 nan 8.240 nan 0.000 0.466 107 W N 0.804 122.164 121.300 0.099 0.000 2.388 107 W HA 0.132 4.792 4.660 0.001 0.000 0.294 107 W C 1.914 178.510 176.519 0.128 0.000 1.212 107 W CA -0.464 56.947 57.345 0.110 0.000 1.271 107 W CB -1.267 28.286 29.460 0.155 0.000 1.126 107 W HN 0.370 nan 8.180 nan 0.000 0.535 108 Y N 0.126 120.562 120.300 0.227 0.000 2.097 108 Y HA -0.269 4.281 4.550 0.001 0.000 0.282 108 Y C 2.665 178.608 175.900 0.072 0.000 1.152 108 Y CA 2.160 60.336 58.100 0.126 0.000 1.136 108 Y CB -1.015 37.495 38.460 0.082 0.000 0.975 108 Y HN -0.108 nan 8.280 nan 0.000 0.498 109 A N 0.283 123.241 122.820 0.230 0.000 1.884 109 A HA -0.318 4.002 4.320 0.001 0.000 0.219 109 A C 2.384 179.996 177.584 0.046 0.000 1.197 109 A CA 2.381 54.487 52.037 0.114 0.000 0.637 109 A CB -1.486 17.577 19.000 0.105 0.000 0.827 109 A HN 0.491 nan 8.150 nan 0.000 0.450 110 A N -0.705 122.140 122.820 0.042 0.000 1.940 110 A HA -0.164 4.156 4.320 0.001 0.000 0.219 110 A C 1.977 179.525 177.584 -0.061 0.000 1.176 110 A CA 2.233 54.239 52.037 -0.051 0.000 0.631 110 A CB -0.486 18.465 19.000 -0.082 0.000 0.814 110 A HN 0.638 nan 8.150 nan 0.000 0.446 111 E N 0.132 120.315 120.200 -0.030 0.000 2.072 111 E HA -0.102 4.248 4.350 0.001 0.000 0.191 111 E C 1.695 178.290 176.600 -0.010 0.000 0.985 111 E CA 1.298 57.690 56.400 -0.013 0.000 0.801 111 E CB -0.341 29.331 29.700 -0.046 0.000 0.750 111 E HN 0.630 nan 8.360 nan 0.000 0.452 112 I N 0.196 120.748 120.570 -0.029 0.000 2.252 112 I HA -0.230 3.941 4.170 0.001 0.000 0.245 112 I C 2.163 178.246 176.117 -0.055 0.000 1.102 112 I CA 0.870 62.140 61.300 -0.050 0.000 1.385 112 I CB -0.195 37.792 38.000 -0.023 0.000 1.064 112 I HN 0.180 nan 8.210 nan 0.000 0.414 113 I N 0.278 120.815 120.570 -0.055 0.000 2.179 113 I HA -0.260 3.910 4.170 0.001 0.000 0.242 113 I C 2.571 178.697 176.117 0.016 0.000 1.088 113 I CA 1.225 62.483 61.300 -0.071 0.000 1.357 113 I CB -0.423 37.509 38.000 -0.114 0.000 1.051 113 I HN 0.194 nan 8.210 nan 0.000 0.409 114 E N 0.963 121.205 120.200 0.070 0.000 2.085 114 E HA -0.224 4.127 4.350 0.001 0.000 0.194 114 E C 2.349 179.130 176.600 0.301 0.000 0.994 114 E CA 1.579 58.136 56.400 0.261 0.000 0.801 114 E CB -0.402 29.468 29.700 0.282 0.000 0.743 114 E HN 0.513 nan 8.360 nan 0.000 0.453 115 A N 1.061 123.880 122.820 -0.001 0.000 1.933 115 A HA -0.142 4.179 4.320 0.001 0.000 0.218 115 A C 2.401 179.926 177.584 -0.099 0.000 1.175 115 A CA 1.147 52.995 52.037 -0.315 0.000 0.628 115 A CB -0.684 18.022 19.000 -0.490 0.000 0.814 115 A HN 0.195 nan 8.150 nan 0.000 0.444 116 L N -1.432 119.765 121.223 -0.042 0.000 2.141 116 L HA -0.114 4.226 4.340 0.001 0.000 0.209 116 L C 2.751 179.640 176.870 0.031 0.000 1.094 116 L CA 1.409 56.238 54.840 -0.019 0.000 0.763 116 L CB -0.419 41.623 42.059 -0.028 0.000 0.908 116 L HN 0.404 nan 8.230 nan 0.000 0.437 117 R N -0.657 119.895 120.500 0.087 0.000 2.115 117 R HA -0.172 4.168 4.340 0.001 0.000 0.230 117 R C 1.996 178.327 176.300 0.051 0.000 1.111 117 R CA 1.335 57.487 56.100 0.087 0.000 0.976 117 R CB -0.116 30.267 30.300 0.137 0.000 0.870 117 R HN 0.285 nan 8.270 nan 0.000 0.445 118 Y N 0.195 120.511 120.300 0.027 0.000 2.578 118 Y HA -0.005 4.545 4.550 0.001 0.000 0.297 118 Y C 1.674 177.584 175.900 0.018 0.000 1.176 118 Y CA 0.331 58.456 58.100 0.042 0.000 1.315 118 Y CB 0.215 38.643 38.460 -0.054 0.000 1.031 118 Y HN 0.057 nan 8.280 nan 0.000 0.524 119 L N -0.350 120.901 121.223 0.048 0.000 2.261 119 L HA -0.230 4.110 4.340 0.001 0.000 0.216 119 L C 1.673 178.541 176.870 -0.004 0.000 1.114 119 L CA 1.152 55.971 54.840 -0.036 0.000 0.777 119 L CB -0.220 41.730 42.059 -0.181 0.000 0.910 119 L HN 0.063 nan 8.230 nan 0.000 0.440 120 K N -0.745 119.664 120.400 0.015 0.000 2.404 120 K HA 0.065 4.385 4.320 0.001 0.000 0.194 120 K C -0.021 176.584 176.600 0.009 0.000 1.023 120 K CA -0.092 56.199 56.287 0.008 0.000 1.094 120 K CB -0.289 32.209 32.500 -0.003 0.000 0.841 120 K HN 0.143 nan 8.250 nan 0.000 0.523 121 Y N 1.670 121.915 120.300 -0.091 0.000 2.346 121 Y HA 0.176 4.727 4.550 0.001 0.000 0.330 121 Y C -0.290 175.602 175.900 -0.013 0.000 1.178 121 Y CA 0.073 58.121 58.100 -0.087 0.000 1.331 121 Y CB 0.648 39.086 38.460 -0.037 0.000 1.253 121 Y HN -0.206 nan 8.280 nan 0.000 0.529 122 K N 6.432 126.400 120.400 -0.720 0.000 2.435 122 K HA 0.319 4.639 4.320 0.001 0.000 0.251 122 K C -2.246 173.760 176.600 -0.990 0.000 0.954 122 K CA -1.999 53.932 56.287 -0.594 0.000 0.820 122 K CB 2.226 34.565 32.500 -0.267 0.000 1.292 122 K HN 0.307 nan 8.250 nan 0.000 0.436 123 P HA -0.272 nan 4.420 nan 0.000 0.216 123 P C 0.380 177.562 177.300 -0.198 0.000 1.157 123 P CA 1.576 64.551 63.100 -0.209 0.000 0.880 123 P CB 0.109 31.790 31.700 -0.031 0.000 0.791 124 D N -0.857 119.439 120.400 -0.173 0.000 2.263 124 D HA -0.141 4.499 4.640 0.001 0.000 0.208 124 D C 0.528 176.744 176.300 -0.139 0.000 0.971 124 D CA 0.953 54.881 54.000 -0.119 0.000 0.867 124 D CB -0.237 40.510 40.800 -0.089 0.000 0.929 124 D HN 0.294 nan 8.370 nan 0.000 0.492 125 E N 1.093 121.145 120.200 -0.246 0.000 2.761 125 E HA 0.232 4.583 4.350 0.001 0.000 0.266 125 E C -2.627 173.814 176.600 -0.264 0.000 1.097 125 E CA -1.833 54.443 56.400 -0.207 0.000 0.773 125 E CB 2.048 31.636 29.700 -0.186 0.000 1.453 125 E HN 0.037 nan 8.360 nan 0.000 0.388 126 P HA 0.085 nan 4.420 nan 0.000 0.276 126 P C 0.794 178.091 177.300 -0.005 0.000 1.244 126 P CA -0.252 62.861 63.100 0.022 0.000 0.801 126 P CB 1.224 33.019 31.700 0.157 0.000 1.006 127 L N -0.198 121.023 121.223 -0.002 0.000 2.093 127 L HA -0.009 4.332 4.340 0.001 0.000 0.208 127 L C 1.009 177.842 176.870 -0.062 0.000 1.085 127 L CA 1.324 56.123 54.840 -0.067 0.000 0.755 127 L CB -0.614 41.358 42.059 -0.144 0.000 0.904 127 L HN 0.269 nan 8.230 nan 0.000 0.435 128 L N -0.113 121.097 121.223 -0.021 0.000 2.362 128 L HA 0.470 4.811 4.340 0.001 0.000 0.271 128 L C -2.342 174.561 176.870 0.055 0.000 1.002 128 L CA -2.018 52.773 54.840 -0.082 0.000 0.818 128 L CB 1.914 43.882 42.059 -0.153 0.000 1.298 128 L HN -0.221 nan 8.230 nan 0.000 0.420 129 P HA 0.341 nan 4.420 nan 0.000 0.276 129 P C -2.737 174.768 177.300 0.341 0.000 1.261 129 P CA -1.903 61.298 63.100 0.169 0.000 0.800 129 P CB -0.163 31.618 31.700 0.135 0.000 1.066 130 P HA 0.041 nan 4.420 nan 0.000 0.266 130 P C -1.527 175.943 177.300 0.283 0.000 1.193 130 P CA -0.555 62.691 63.100 0.244 0.000 0.770 130 P CB -0.758 31.033 31.700 0.151 0.000 0.836 131 P HA -0.022 nan 4.420 nan 0.000 0.245 131 P C 0.002 177.338 177.300 0.060 0.000 1.212 131 P CA 0.306 63.418 63.100 0.019 0.000 0.774 131 P CB 0.206 31.820 31.700 -0.143 0.000 0.999 132 W N 1.755 123.102 121.300 0.080 0.000 2.293 132 W HA -0.020 4.640 4.660 0.001 0.000 0.342 132 W C 1.632 178.213 176.519 0.103 0.000 1.274 132 W CA 1.052 58.455 57.345 0.096 0.000 1.290 132 W CB 0.048 29.566 29.460 0.097 0.000 1.176 132 W HN 0.069 nan 8.180 nan 0.000 0.570 133 T N -0.010 114.732 114.554 0.313 0.000 3.042 133 T HA 0.287 4.638 4.350 0.001 0.000 0.245 133 T C 1.406 176.216 174.700 0.183 0.000 1.029 133 T CA 0.668 62.883 62.100 0.191 0.000 1.120 133 T CB 0.148 69.064 68.868 0.080 0.000 0.917 133 T HN 0.784 nan 8.240 nan 0.000 0.467 134 G N 2.026 110.965 108.800 0.231 0.000 2.566 134 G HA2 -0.263 3.698 3.960 0.001 0.000 0.280 134 G HA3 -0.263 3.698 3.960 0.001 0.000 0.280 134 G C -0.205 174.543 174.900 -0.253 0.000 1.225 134 G CA -0.097 45.105 45.100 0.169 0.000 0.966 134 G HN 0.799 nan 8.290 nan 0.000 0.560 135 F N 1.320 120.751 119.950 -0.864 0.000 2.608 135 F HA 0.456 4.984 4.527 0.001 0.000 0.380 135 F C 1.041 176.544 175.800 -0.495 0.000 1.083 135 F CA 0.020 57.356 58.000 -1.106 0.000 1.266 135 F CB 0.118 38.269 39.000 -1.416 0.000 1.076 135 F HN 0.389 nan 8.300 nan 0.000 0.574 136 I N 6.465 126.392 120.570 -1.071 0.000 2.304 136 I HA 0.254 4.425 4.170 0.001 0.000 0.291 136 I C 0.949 176.524 176.117 -0.903 0.000 1.018 136 I CA -0.462 60.412 61.300 -0.710 0.000 1.260 136 I CB 0.632 38.344 38.000 -0.480 0.000 1.390 136 I HN 0.762 nan 8.210 nan 0.000 0.475 137 G N 3.877 112.424 108.800 -0.423 0.000 2.391 137 G HA2 -0.072 3.888 3.960 0.001 0.000 0.234 137 G HA3 -0.072 3.888 3.960 0.001 0.000 0.234 137 G C 0.580 175.339 174.900 -0.235 0.000 1.284 137 G CA -0.285 44.699 45.100 -0.194 0.000 0.873 137 G HN 0.700 nan 8.290 nan 0.000 0.549 138 D N 2.342 122.673 120.400 -0.114 0.000 2.170 138 D HA -0.130 4.511 4.640 0.001 0.000 0.193 138 D C 0.002 176.275 176.300 -0.044 0.000 1.004 138 D CA 1.538 55.490 54.000 -0.080 0.000 0.860 138 D CB -0.772 40.061 40.800 0.055 0.000 0.931 138 D HN 0.317 nan 8.370 nan 0.000 0.448 139 P HA -0.082 nan 4.420 nan 0.000 0.219 139 P C 1.487 178.709 177.300 -0.130 0.000 1.146 139 P CA 0.639 63.727 63.100 -0.019 0.000 0.808 139 P CB 0.189 31.844 31.700 -0.074 0.000 0.779 140 V N -0.988 118.837 119.914 -0.148 0.000 2.379 140 V HA -0.145 3.976 4.120 0.001 0.000 0.243 140 V C 2.421 178.471 176.094 -0.074 0.000 1.035 140 V CA 1.310 63.526 62.300 -0.141 0.000 1.035 140 V CB -1.115 30.674 31.823 -0.056 0.000 0.673 140 V HN -0.058 nan 8.190 nan 0.000 0.457 141 V N 0.523 120.319 119.914 -0.196 0.000 2.282 141 V HA -0.336 3.785 4.120 0.001 0.000 0.249 141 V C 2.599 178.723 176.094 0.050 0.000 1.057 141 V CA 2.413 64.573 62.300 -0.234 0.000 1.032 141 V CB -0.858 30.635 31.823 -0.549 0.000 0.645 141 V HN 0.492 nan 8.190 nan 0.000 0.447 142 R N -0.498 119.999 120.500 -0.003 0.000 2.115 142 R HA -0.119 4.222 4.340 0.001 0.000 0.226 142 R C 2.486 178.756 176.300 -0.050 0.000 1.100 142 R CA 1.339 57.483 56.100 0.074 0.000 0.980 142 R CB -0.411 29.901 30.300 0.019 0.000 0.875 142 R HN 0.492 nan 8.270 nan 0.000 0.445 143 R N 0.631 121.002 120.500 -0.214 0.000 2.096 143 R HA -0.165 4.176 4.340 0.001 0.000 0.240 143 R C 1.083 177.089 176.300 -0.490 0.000 1.139 143 R CA 1.804 57.627 56.100 -0.461 0.000 0.952 143 R CB -0.190 29.648 30.300 -0.770 0.000 0.854 143 R HN 0.119 nan 8.270 nan 0.000 0.436 144 F N 0.058 119.992 119.950 -0.028 0.000 2.765 144 F HA 0.332 4.859 4.527 0.001 0.000 0.302 144 F C 2.057 177.747 175.800 -0.184 0.000 1.111 144 F CA 0.280 58.233 58.000 -0.077 0.000 1.359 144 F CB -0.266 38.728 39.000 -0.010 0.000 1.097 144 F HN 0.193 nan 8.300 nan 0.000 0.577 145 G N 0.576 109.319 108.800 -0.095 0.000 2.469 145 G HA2 -0.298 3.663 3.960 0.001 0.000 0.219 145 G HA3 -0.298 3.663 3.960 0.001 0.000 0.219 145 G C 1.773 176.335 174.900 -0.562 0.000 1.150 145 G CA 0.900 45.692 45.100 -0.513 0.000 0.763 145 G HN 0.365 nan 8.290 nan 0.000 0.561 146 I N 0.096 120.473 120.570 -0.321 0.000 2.493 146 I HA 0.028 4.199 4.170 0.001 0.000 0.254 146 I C 2.463 178.431 176.117 -0.248 0.000 1.160 146 I CA 1.085 62.224 61.300 -0.268 0.000 1.445 146 I CB 0.060 37.969 38.000 -0.152 0.000 1.086 146 I HN 0.039 nan 8.210 nan 0.000 0.433 147 K N -0.665 119.618 120.400 -0.195 0.000 2.418 147 K HA 0.028 4.349 4.320 0.001 0.000 0.195 147 K C 1.882 178.301 176.600 -0.303 0.000 1.035 147 K CA 0.817 57.005 56.287 -0.165 0.000 1.003 147 K CB 0.061 32.518 32.500 -0.071 0.000 0.793 147 K HN 0.343 nan 8.250 nan 0.000 0.494 148 M N 0.234 119.537 119.600 -0.495 0.000 2.287 148 M HA -0.100 4.381 4.480 0.001 0.000 0.266 148 M C 2.153 177.812 176.300 -1.068 0.000 1.079 148 M CA 0.930 55.771 55.300 -0.765 0.000 1.146 148 M CB 0.019 32.019 32.600 -1.001 0.000 1.374 148 M HN -0.004 nan 8.290 nan 0.000 0.435 149 V N -0.662 118.697 119.914 -0.926 0.000 2.626 149 V HA -0.160 3.960 4.120 0.001 0.000 0.252 149 V C 1.004 176.750 176.094 -0.581 0.000 1.067 149 V CA 2.041 63.947 62.300 -0.657 0.000 1.081 149 V CB -1.018 30.585 31.823 -0.367 0.000 0.686 149 V HN 0.560 nan 8.190 nan 0.000 0.468 150 D N -3.121 116.999 120.400 -0.467 0.000 2.462 150 D HA 0.057 4.697 4.640 0.001 0.000 0.221 150 D C 0.577 176.831 176.300 -0.078 0.000 1.173 150 D CA -0.792 53.077 54.000 -0.219 0.000 0.831 150 D CB -0.886 39.865 40.800 -0.081 0.000 1.001 150 D HN 0.639 nan 8.370 nan 0.000 0.499 151 W N -0.236 121.058 121.300 -0.011 0.000 3.834 151 W HA -0.316 4.344 4.660 0.001 0.000 0.320 151 W C 1.767 178.246 176.519 -0.067 0.000 1.201 151 W CA 0.640 57.964 57.345 -0.035 0.000 0.701 151 W CB -2.676 26.776 29.460 -0.014 0.000 2.264 151 W HN 0.223 nan 8.180 nan 0.000 1.413 152 T N -0.573 113.995 114.554 0.023 0.000 2.803 152 T HA -0.093 4.258 4.350 0.001 0.000 0.269 152 T C 0.709 175.374 174.700 -0.059 0.000 1.052 152 T CA 1.420 63.532 62.100 0.020 0.000 1.136 152 T CB -0.056 68.850 68.868 0.063 0.000 0.864 152 T HN 0.219 nan 8.240 nan 0.000 0.467 153 I N 3.392 123.890 120.570 -0.120 0.000 2.287 153 I HA 0.266 4.436 4.170 0.001 0.000 0.290 153 I C -1.517 174.539 176.117 -0.102 0.000 1.069 153 I CA -2.296 58.891 61.300 -0.189 0.000 1.237 153 I CB 1.981 39.848 38.000 -0.223 0.000 1.418 153 I HN 0.116 nan 8.210 nan 0.000 0.481 154 P HA 0.105 nan 4.420 nan 0.000 0.236 154 P C 0.606 177.801 177.300 -0.176 0.000 1.177 154 P CA 0.657 63.676 63.100 -0.134 0.000 0.773 154 P CB 0.786 32.275 31.700 -0.351 0.000 0.878 155 G N -0.765 107.799 108.800 -0.393 0.000 2.336 155 G HA2 0.290 4.251 3.960 0.001 0.000 0.286 155 G HA3 0.290 4.251 3.960 0.001 0.000 0.286 155 G C -2.065 172.787 174.900 -0.081 0.000 1.269 155 G CA -0.640 44.383 45.100 -0.129 0.000 0.873 155 G HN -0.009 nan 8.290 nan 0.000 0.494 156 E N -0.674 119.539 120.200 0.022 0.000 2.275 156 E HA 0.682 5.033 4.350 0.001 0.000 0.270 156 E C -0.310 176.070 176.600 -0.366 0.000 0.882 156 E CA -0.272 56.111 56.400 -0.028 0.000 0.758 156 E CB 2.143 31.832 29.700 -0.018 0.000 1.195 156 E HN 0.985 nan 8.360 nan 0.000 0.419 157 A N 3.618 126.258 122.820 -0.300 0.000 2.271 157 A HA 0.653 4.973 4.320 0.001 0.000 0.317 157 A C -0.577 176.945 177.584 -0.103 0.000 1.245 157 A CA -0.603 51.132 52.037 -0.503 0.000 0.857 157 A CB 0.194 18.992 19.000 -0.337 0.000 1.175 157 A HN 0.656 nan 8.150 nan 0.000 0.512 158 I N 3.871 124.400 120.570 -0.068 0.000 2.328 158 I HA 0.288 4.459 4.170 0.001 0.000 0.287 158 I C -0.731 175.437 176.117 0.083 0.000 1.012 158 I CA -0.093 61.249 61.300 0.070 0.000 1.195 158 I CB 1.038 39.050 38.000 0.020 0.000 1.350 158 I HN 0.492 nan 8.210 nan 0.000 0.464 159 I N 7.452 128.079 120.570 0.095 0.000 2.307 159 I HA 0.320 4.491 4.170 0.001 0.000 0.289 159 I C -0.656 175.529 176.117 0.113 0.000 1.021 159 I CA -0.550 60.806 61.300 0.094 0.000 1.224 159 I CB 1.445 39.482 38.000 0.063 0.000 1.376 159 I HN 0.393 nan 8.210 nan 0.000 0.470 160 L N 7.498 128.795 121.223 0.124 0.000 2.376 160 L HA 0.956 5.296 4.340 0.001 0.000 0.275 160 L C 0.131 177.110 176.870 0.181 0.000 0.987 160 L CA 0.449 55.362 54.840 0.123 0.000 0.828 160 L CB 1.244 43.330 42.059 0.044 0.000 1.249 160 L HN 0.818 nan 8.230 nan 0.000 0.409 161 G N 3.980 112.891 108.800 0.185 0.000 2.501 161 G HA2 -0.086 3.874 3.960 0.001 0.000 0.213 161 G HA3 -0.086 3.874 3.960 0.001 0.000 0.213 161 G C -0.945 174.065 174.900 0.183 0.000 1.158 161 G CA -0.143 45.088 45.100 0.219 0.000 1.079 161 G HN 0.826 nan 8.290 nan 0.000 0.586 162 R N 0.205 120.814 120.500 0.182 0.000 2.574 162 R HA 0.680 5.021 4.340 0.001 0.000 0.288 162 R C 0.213 176.607 176.300 0.156 0.000 1.004 162 R CA 0.102 56.291 56.100 0.147 0.000 0.895 162 R CB 1.435 31.809 30.300 0.123 0.000 1.191 162 R HN 1.541 nan 8.270 nan 0.000 0.444 163 A N 2.861 125.774 122.820 0.155 0.000 2.287 163 A HA 0.188 4.509 4.320 0.001 0.000 0.273 163 A C 0.988 178.625 177.584 0.089 0.000 1.091 163 A CA -0.300 51.864 52.037 0.211 0.000 0.817 163 A CB 0.592 19.744 19.000 0.254 0.000 1.069 163 A HN 0.997 nan 8.150 nan 0.000 0.492 164 K N -0.184 120.214 120.400 -0.003 0.000 2.160 164 K HA -0.169 4.151 4.320 0.001 0.000 0.206 164 K C -0.249 176.269 176.600 -0.137 0.000 1.047 164 K CA 1.928 58.129 56.287 -0.143 0.000 0.930 164 K CB -0.475 31.812 32.500 -0.354 0.000 0.720 164 K HN 0.858 nan 8.250 nan 0.000 0.450 165 D N -2.723 117.587 120.400 -0.150 0.000 2.653 165 D HA 0.157 4.797 4.640 0.001 0.000 0.258 165 D C -0.228 176.043 176.300 -0.048 0.000 1.252 165 D CA -0.704 53.246 54.000 -0.083 0.000 0.777 165 D CB 1.275 42.018 40.800 -0.095 0.000 1.339 165 D HN -0.183 nan 8.370 nan 0.000 0.422 166 S N -0.541 115.146 115.700 -0.021 0.000 2.370 166 S HA -0.155 4.316 4.470 0.001 0.000 0.226 166 S C 1.561 176.156 174.600 -0.008 0.000 1.033 166 S CA 0.986 59.183 58.200 -0.005 0.000 1.011 166 S CB -0.235 62.962 63.200 -0.005 0.000 0.852 166 S HN 0.417 nan 8.310 nan 0.000 0.457 167 K N 1.636 122.022 120.400 -0.023 0.000 2.025 167 K HA 0.080 4.401 4.320 0.001 0.000 0.207 167 K C 2.404 178.998 176.600 -0.010 0.000 1.049 167 K CA 1.185 57.460 56.287 -0.019 0.000 0.933 167 K CB -0.816 31.667 32.500 -0.028 0.000 0.714 167 K HN 0.355 nan 8.250 nan 0.000 0.438 168 A N 2.082 124.878 122.820 -0.040 0.000 1.883 168 A HA -0.185 4.136 4.320 0.001 0.000 0.217 168 A C 2.271 179.925 177.584 0.115 0.000 1.186 168 A CA 1.547 53.575 52.037 -0.015 0.000 0.624 168 A CB -0.706 18.151 19.000 -0.238 0.000 0.822 168 A HN 0.238 nan 8.150 nan 0.000 0.444 169 L N -0.249 121.040 121.223 0.111 0.000 2.046 169 L HA -0.072 4.269 4.340 0.001 0.000 0.208 169 L C 2.675 179.586 176.870 0.069 0.000 1.077 169 L CA 2.251 57.175 54.840 0.141 0.000 0.747 169 L CB -0.884 41.243 42.059 0.113 0.000 0.896 169 L HN 0.362 nan 8.230 nan 0.000 0.432 170 A N -0.575 122.267 122.820 0.036 0.000 1.917 170 A HA -0.311 4.009 4.320 0.001 0.000 0.219 170 A C 2.468 180.065 177.584 0.022 0.000 1.182 170 A CA 2.219 54.265 52.037 0.015 0.000 0.633 170 A CB -0.685 18.316 19.000 0.002 0.000 0.819 170 A HN 0.520 nan 8.150 nan 0.000 0.448 171 K N -0.607 119.813 120.400 0.033 0.000 2.009 171 K HA -0.102 4.218 4.320 0.001 0.000 0.210 171 K C 1.869 178.490 176.600 0.035 0.000 1.049 171 K CA 1.698 58.005 56.287 0.034 0.000 0.929 171 K CB -0.323 32.202 32.500 0.042 0.000 0.714 171 K HN 0.516 nan 8.250 nan 0.000 0.440 172 I N 0.448 121.046 120.570 0.047 0.000 2.264 172 I HA -0.281 3.890 4.170 0.001 0.000 0.248 172 I C 2.028 178.138 176.117 -0.011 0.000 1.111 172 I CA 0.985 62.294 61.300 0.015 0.000 1.382 172 I CB 0.014 38.027 38.000 0.021 0.000 1.060 172 I HN 0.041 nan 8.210 nan 0.000 0.418 173 V N 1.407 121.320 119.914 -0.003 0.000 2.591 173 V HA -0.233 3.888 4.120 0.001 0.000 0.249 173 V C 2.413 178.506 176.094 -0.001 0.000 1.053 173 V CA 1.922 64.208 62.300 -0.023 0.000 1.068 173 V CB -0.624 31.178 31.823 -0.035 0.000 0.689 173 V HN 0.524 nan 8.190 nan 0.000 0.462 174 K N 0.679 121.096 120.400 0.028 0.000 2.103 174 K HA -0.183 4.137 4.320 0.001 0.000 0.204 174 K C 2.015 178.664 176.600 0.082 0.000 1.052 174 K CA 1.807 58.138 56.287 0.073 0.000 0.945 174 K CB -0.297 32.241 32.500 0.063 0.000 0.722 174 K HN 0.492 nan 8.250 nan 0.000 0.443 175 E N 1.398 121.627 120.200 0.049 0.000 2.038 175 E HA -0.201 4.149 4.350 0.001 0.000 0.195 175 E C 2.119 178.753 176.600 0.057 0.000 1.000 175 E CA 1.453 57.882 56.400 0.049 0.000 0.803 175 E CB -0.130 29.581 29.700 0.017 0.000 0.750 175 E HN 0.398 nan 8.360 nan 0.000 0.448 176 L N 0.162 121.385 121.223 -0.000 0.000 2.043 176 L HA -0.246 4.095 4.340 0.001 0.000 0.212 176 L C 2.842 179.780 176.870 0.113 0.000 1.075 176 L CA 1.359 56.193 54.840 -0.010 0.000 0.752 176 L CB -0.335 41.634 42.059 -0.151 0.000 0.891 176 L HN 0.310 nan 8.230 nan 0.000 0.432 177 M N -0.832 118.792 119.600 0.041 0.000 2.159 177 M HA -0.127 4.353 4.480 0.001 0.000 0.263 177 M C 2.263 178.613 176.300 0.083 0.000 1.063 177 M CA 1.739 57.032 55.300 -0.012 0.000 1.110 177 M CB -0.733 31.839 32.600 -0.047 0.000 1.374 177 M HN 0.381 nan 8.290 nan 0.000 0.411 178 G N 0.086 108.988 108.800 0.171 0.000 2.448 178 G HA2 -0.187 3.774 3.960 0.001 0.000 0.219 178 G HA3 -0.187 3.774 3.960 0.001 0.000 0.219 178 G C 1.352 176.365 174.900 0.189 0.000 1.127 178 G CA 0.566 45.790 45.100 0.207 0.000 0.766 178 G HN 0.427 nan 8.290 nan 0.000 0.552 179 M N 0.257 119.980 119.600 0.204 0.000 2.495 179 M HA 0.271 4.751 4.480 0.001 0.000 0.237 179 M C 1.680 178.049 176.300 0.116 0.000 1.131 179 M CA 0.551 55.986 55.300 0.225 0.000 1.032 179 M CB 0.621 33.450 32.600 0.383 0.000 1.513 179 M HN 0.281 nan 8.290 nan 0.000 0.488 180 G N 0.929 109.757 108.800 0.047 0.000 2.143 180 G HA2 -0.262 3.699 3.960 0.001 0.000 0.248 180 G HA3 -0.262 3.699 3.960 0.001 0.000 0.248 180 G C -0.120 174.673 174.900 -0.179 0.000 0.991 180 G CA -0.439 44.590 45.100 -0.118 0.000 0.689 180 G HN 0.378 nan 8.290 nan 0.000 0.522 181 F N 0.277 120.137 119.950 -0.150 0.000 2.529 181 F HA 0.425 4.952 4.527 0.001 0.000 0.365 181 F C 1.259 176.875 175.800 -0.307 0.000 1.102 181 F CA 0.075 57.971 58.000 -0.174 0.000 1.271 181 F CB 0.786 39.709 39.000 -0.128 0.000 1.120 181 F HN 0.189 nan 8.300 nan 0.000 0.579 182 M N 5.584 125.072 119.600 -0.188 0.000 2.217 182 M HA 0.335 4.816 4.480 0.001 0.000 0.352 182 M C -1.393 174.695 176.300 -0.353 0.000 1.376 182 M CA 0.096 55.154 55.300 -0.403 0.000 1.107 182 M CB 0.198 32.587 32.600 -0.353 0.000 1.723 182 M HN 0.467 nan 8.290 nan 0.000 0.461 183 L N 5.315 126.191 121.223 -0.578 0.000 2.334 183 L HA 0.633 4.974 4.340 0.001 0.000 0.273 183 L C -1.331 175.141 176.870 -0.663 0.000 1.013 183 L CA -0.708 53.879 54.840 -0.422 0.000 0.816 183 L CB 1.549 43.419 42.059 -0.315 0.000 1.278 183 L HN 0.608 nan 8.230 nan 0.000 0.431 184 F N 2.289 122.152 119.950 -0.145 0.000 2.518 184 F HA 0.619 5.147 4.527 0.001 0.000 0.323 184 F C -0.295 175.490 175.800 -0.024 0.000 1.129 184 F CA -0.462 57.517 58.000 -0.036 0.000 0.920 184 F CB 1.710 40.693 39.000 -0.027 0.000 1.160 184 F HN 0.138 nan 8.300 nan 0.000 0.440 185 I N 2.929 123.593 120.570 0.157 0.000 2.465 185 I HA 0.548 4.719 4.170 0.001 0.000 0.291 185 I C -1.036 175.176 176.117 0.159 0.000 1.014 185 I CA -0.554 60.811 61.300 0.109 0.000 1.093 185 I CB 2.072 40.084 38.000 0.019 0.000 1.267 185 I HN 0.580 nan 8.210 nan 0.000 0.431 186 C N 5.630 125.026 119.300 0.160 0.000 2.608 186 C HA 0.605 5.065 4.460 0.001 0.000 0.325 186 C C -0.541 174.560 174.990 0.184 0.000 1.147 186 C CA 0.038 59.171 59.018 0.191 0.000 1.359 186 C CB 0.013 27.858 27.740 0.175 0.000 1.912 186 C HN 1.038 nan 8.230 nan 0.000 0.466 187 D N 2.436 122.965 120.400 0.214 0.000 3.817 187 D HA -0.144 4.496 4.640 0.001 0.000 0.229 187 D C 0.517 176.926 176.300 0.182 0.000 1.564 187 D CA 0.531 54.650 54.000 0.199 0.000 1.134 187 D CB -0.505 40.406 40.800 0.185 0.000 0.722 187 D HN 0.720 nan 8.370 nan 0.000 0.891 188 E N 0.486 120.778 120.200 0.154 0.000 2.265 188 E HA 0.034 4.384 4.350 0.001 0.000 0.196 188 E C 1.901 178.570 176.600 0.116 0.000 0.996 188 E CA 1.410 57.891 56.400 0.134 0.000 0.832 188 E CB -0.205 29.561 29.700 0.111 0.000 0.756 188 E HN 0.446 nan 8.360 nan 0.000 0.491 189 A N 0.561 123.450 122.820 0.115 0.000 1.986 189 A HA -0.205 4.115 4.320 0.001 0.000 0.220 189 A C 2.365 179.982 177.584 0.054 0.000 1.171 189 A CA 1.378 53.467 52.037 0.087 0.000 0.640 189 A CB -0.701 18.356 19.000 0.095 0.000 0.811 189 A HN 0.174 nan 8.150 nan 0.000 0.451 190 V N -0.171 119.785 119.914 0.071 0.000 2.233 190 V HA -0.284 3.837 4.120 0.001 0.000 0.247 190 V C 2.495 178.578 176.094 -0.018 0.000 1.050 190 V CA 2.513 64.815 62.300 0.003 0.000 1.010 190 V CB -0.857 31.000 31.823 0.058 0.000 0.637 190 V HN 0.602 nan 8.190 nan 0.000 0.444 191 E N -0.354 119.890 120.200 0.074 0.000 2.150 191 E HA -0.182 4.169 4.350 0.001 0.000 0.193 191 E C 2.273 178.891 176.600 0.031 0.000 0.985 191 E CA 0.862 57.306 56.400 0.073 0.000 0.814 191 E CB -0.266 29.517 29.700 0.137 0.000 0.752 191 E HN 0.626 nan 8.360 nan 0.000 0.466 192 Q N 0.028 119.848 119.800 0.035 0.000 2.061 192 Q HA -0.158 4.183 4.340 0.001 0.000 0.204 192 Q C 2.188 178.184 176.000 -0.007 0.000 0.984 192 Q CA 1.225 57.041 55.803 0.021 0.000 0.846 192 Q CB -0.194 28.565 28.738 0.035 0.000 0.902 192 Q HN 0.316 nan 8.270 nan 0.000 0.421 193 L N 0.166 121.373 121.223 -0.026 0.000 2.093 193 L HA -0.195 4.145 4.340 0.001 0.000 0.208 193 L C 2.290 179.112 176.870 -0.080 0.000 1.085 193 L CA 0.824 55.630 54.840 -0.057 0.000 0.755 193 L CB -0.307 41.702 42.059 -0.083 0.000 0.904 193 L HN 0.266 nan 8.230 nan 0.000 0.435 194 L N -0.161 121.006 121.223 -0.093 0.000 2.109 194 L HA -0.187 4.153 4.340 0.001 0.000 0.207 194 L C 2.686 179.521 176.870 -0.059 0.000 1.086 194 L CA 1.377 56.153 54.840 -0.107 0.000 0.760 194 L CB -0.511 41.467 42.059 -0.135 0.000 0.910 194 L HN 0.411 nan 8.230 nan 0.000 0.437 195 E N -0.079 120.104 120.200 -0.029 0.000 2.268 195 E HA -0.207 4.143 4.350 0.001 0.000 0.195 195 E C 1.130 177.717 176.600 -0.022 0.000 0.995 195 E CA 0.884 57.276 56.400 -0.014 0.000 0.836 195 E CB -0.051 29.651 29.700 0.003 0.000 0.763 195 E HN 0.381 nan 8.360 nan 0.000 0.491 196 E N 1.078 121.261 120.200 -0.029 0.000 2.445 196 E HA 0.019 4.369 4.350 0.001 0.000 0.189 196 E C -0.160 176.415 176.600 -0.042 0.000 1.069 196 E CA -0.092 56.290 56.400 -0.030 0.000 0.871 196 E CB -0.139 29.546 29.700 -0.026 0.000 0.991 196 E HN 0.299 nan 8.360 nan 0.000 0.481 197 N N 0.335 119.003 118.700 -0.053 0.000 2.741 197 N HA -0.171 4.569 4.740 0.001 0.000 0.250 197 N C 0.041 175.498 175.510 -0.089 0.000 1.115 197 N CA 0.836 53.846 53.050 -0.067 0.000 0.724 197 N CB -1.770 36.688 38.487 -0.050 0.000 1.090 197 N HN 0.190 nan 8.380 nan 0.000 0.558 198 V N 0.217 120.071 119.914 -0.099 0.000 2.583 198 V HA 0.212 4.333 4.120 0.001 0.000 0.287 198 V C 0.613 176.578 176.094 -0.215 0.000 1.051 198 V CA -0.458 61.768 62.300 -0.123 0.000 1.010 198 V CB 1.040 32.808 31.823 -0.091 0.000 0.988 198 V HN -0.021 nan 8.190 nan 0.000 0.478 199 K N 6.988 127.209 120.400 -0.299 0.000 2.339 199 K HA 0.492 4.812 4.320 0.001 0.000 0.286 199 K C -0.684 175.517 176.600 -0.665 0.000 1.050 199 K CA 0.109 56.025 56.287 -0.618 0.000 0.956 199 K CB 0.920 32.855 32.500 -0.941 0.000 0.990 199 K HN 0.724 nan 8.250 nan 0.000 0.475 200 L N 0.591 121.475 121.223 -0.566 0.000 2.393 200 L HA 0.709 5.049 4.340 0.001 0.000 0.260 200 L C 0.213 177.000 176.870 -0.139 0.000 1.002 200 L CA -0.856 53.790 54.840 -0.323 0.000 0.818 200 L CB 2.519 44.403 42.059 -0.293 0.000 1.369 200 L HN 0.837 nan 8.230 nan 0.000 0.412 201 G N 0.416 109.211 108.800 -0.008 0.000 2.339 201 G HA2 0.052 4.012 3.960 0.001 0.000 0.381 201 G HA3 0.052 4.012 3.960 0.001 0.000 0.381 201 G C 0.095 175.109 174.900 0.189 0.000 1.400 201 G CA -0.642 44.540 45.100 0.137 0.000 1.002 201 G HN 0.520 nan 8.290 nan 0.000 0.633 202 I N 0.156 120.880 120.570 0.257 0.000 2.145 202 I HA -0.202 3.968 4.170 0.001 0.000 0.244 202 I C 2.208 178.499 176.117 0.290 0.000 1.075 202 I CA 1.892 63.408 61.300 0.360 0.000 1.332 202 I CB -0.099 38.050 38.000 0.248 0.000 1.033 202 I HN 0.509 nan 8.210 nan 0.000 0.410 203 D N -0.316 120.155 120.400 0.118 0.000 2.309 203 D HA -0.164 4.476 4.640 0.001 0.000 0.212 203 D C 1.262 177.347 176.300 -0.358 0.000 0.968 203 D CA 1.373 55.312 54.000 -0.102 0.000 0.882 203 D CB -0.071 40.556 40.800 -0.288 0.000 0.918 203 D HN 0.468 nan 8.370 nan 0.000 0.503 204 Y N -0.393 119.810 120.300 -0.162 0.000 2.531 204 Y HA 0.289 4.840 4.550 0.001 0.000 0.249 204 Y C 0.964 176.511 175.900 -0.587 0.000 1.168 204 Y CA -0.351 57.539 58.100 -0.350 0.000 1.226 204 Y CB 0.027 38.311 38.460 -0.293 0.000 1.177 204 Y HN -0.186 nan 8.280 nan 0.000 0.527 205 I N -0.428 119.763 120.570 -0.632 0.000 6.151 205 I HA -0.335 3.835 4.170 0.001 0.000 0.126 205 I C 0.106 175.515 176.117 -1.181 0.000 1.812 205 I CA 0.755 61.395 61.300 -1.100 0.000 2.108 205 I CB -1.756 35.550 38.000 -1.157 0.000 3.427 205 I HN 0.226 nan 8.210 nan 0.000 0.191 206 A N 1.130 123.391 122.820 -0.931 0.000 2.545 206 A HA 0.710 5.031 4.320 0.001 0.000 0.300 206 A C -0.652 176.607 177.584 -0.542 0.000 1.252 206 A CA -0.311 51.306 52.037 -0.700 0.000 0.753 206 A CB 0.276 19.034 19.000 -0.404 0.000 1.144 206 A HN 0.226 nan 8.150 nan 0.000 0.457 207 Y N 2.495 122.568 120.300 -0.379 0.000 2.477 207 Y HA 0.404 4.955 4.550 0.001 0.000 0.349 207 Y C -2.352 173.469 175.900 -0.132 0.000 0.977 207 Y CA -3.181 54.765 58.100 -0.256 0.000 1.214 207 Y CB 0.459 38.718 38.460 -0.336 0.000 1.124 207 Y HN 0.432 nan 8.280 nan 0.000 0.521 208 P HA 0.159 nan 4.420 nan 0.000 0.280 208 P C 0.357 177.767 177.300 0.184 0.000 1.300 208 P CA 0.005 63.081 63.100 -0.040 0.000 0.785 208 P CB 0.859 32.308 31.700 -0.418 0.000 0.874 209 L N 1.946 123.336 121.223 0.278 0.000 2.131 209 L HA 0.201 4.542 4.340 0.001 0.000 0.206 209 L C 1.532 178.678 176.870 0.461 0.000 1.087 209 L CA 1.356 56.410 54.840 0.357 0.000 0.767 209 L CB -0.625 41.632 42.059 0.330 0.000 0.917 209 L HN 0.631 nan 8.230 nan 0.000 0.441 210 G N -0.594 108.512 108.800 0.510 0.000 2.217 210 G HA2 -0.108 3.853 3.960 0.001 0.000 0.173 210 G HA3 -0.108 3.853 3.960 0.001 0.000 0.173 210 G C -1.363 173.743 174.900 0.344 0.000 1.324 210 G CA -0.501 44.866 45.100 0.446 0.000 1.225 210 G HN 0.281 nan 8.290 nan 0.000 0.494 211 N N -0.896 117.971 118.700 0.278 0.000 2.405 211 N HA 0.714 5.455 4.740 0.001 0.000 0.285 211 N C 0.077 175.793 175.510 0.344 0.000 1.262 211 N CA -0.140 53.078 53.050 0.278 0.000 0.773 211 N CB 2.447 41.072 38.487 0.230 0.000 1.490 211 N HN 1.175 nan 8.380 nan 0.000 0.486 212 F N 0.309 120.332 119.950 0.121 0.000 2.208 212 F HA -0.420 4.107 4.527 0.001 0.000 0.342 212 F C 1.765 177.628 175.800 0.105 0.000 1.315 212 F CA 2.393 60.459 58.000 0.110 0.000 1.018 212 F CB -1.743 37.324 39.000 0.112 0.000 3.928 212 F HN 0.647 nan 8.300 nan 0.000 0.148 213 T N -0.640 113.740 114.554 -0.290 0.000 3.072 213 T HA -0.022 4.329 4.350 0.001 0.000 0.266 213 T C 1.348 175.965 174.700 -0.138 0.000 1.127 213 T CA 1.436 63.331 62.100 -0.341 0.000 1.107 213 T CB -0.295 68.323 68.868 -0.418 0.000 0.910 213 T HN 0.563 nan 8.240 nan 0.000 0.513 214 Q N 0.170 119.987 119.800 0.028 0.000 2.500 214 Q HA 0.208 4.548 4.340 0.001 0.000 0.213 214 Q C 1.866 177.873 176.000 0.012 0.000 0.974 214 Q CA 0.281 56.134 55.803 0.084 0.000 0.918 214 Q CB -0.602 28.319 28.738 0.304 0.000 0.980 214 Q HN 0.510 nan 8.270 nan 0.000 0.505 215 I N -0.616 119.948 120.570 -0.010 0.000 2.399 215 I HA -0.222 3.948 4.170 0.001 0.000 0.254 215 I C 1.789 177.780 176.117 -0.210 0.000 1.146 215 I CA 0.959 62.235 61.300 -0.040 0.000 1.412 215 I CB -0.233 37.768 38.000 0.003 0.000 1.076 215 I HN 0.119 nan 8.210 nan 0.000 0.432 216 V N 0.526 120.234 119.914 -0.343 0.000 2.913 216 V HA -0.228 3.892 4.120 0.001 0.000 0.260 216 V C 2.112 177.938 176.094 -0.445 0.000 1.098 216 V CA 1.582 63.576 62.300 -0.510 0.000 1.121 216 V CB -1.055 30.503 31.823 -0.442 0.000 0.714 216 V HN 0.512 nan 8.190 nan 0.000 0.487 217 H N -0.253 118.731 119.070 -0.143 0.000 2.556 217 H HA 0.228 4.784 4.556 0.001 0.000 0.268 217 H C 2.097 177.342 175.328 -0.139 0.000 0.996 217 H CA 0.911 56.882 56.048 -0.129 0.000 1.157 217 H CB -0.151 29.586 29.762 -0.040 0.000 1.355 217 H HN 0.577 nan 8.280 nan 0.000 0.597 218 A N 0.702 123.394 122.820 -0.213 0.000 1.935 218 A HA 0.140 4.460 4.320 0.001 0.000 0.214 218 A C 2.591 179.830 177.584 -0.576 0.000 1.178 218 A CA 1.014 52.622 52.037 -0.715 0.000 0.640 218 A CB -0.364 18.135 19.000 -0.835 0.000 0.825 218 A HN 0.373 nan 8.150 nan 0.000 0.447 219 A N 1.599 124.076 122.820 -0.572 0.000 1.897 219 A HA -0.155 4.166 4.320 0.001 0.000 0.215 219 A C 1.785 179.146 177.584 -0.371 0.000 1.181 219 A CA 1.851 53.463 52.037 -0.708 0.000 0.620 219 A CB -0.758 17.196 19.000 -1.742 0.000 0.821 219 A HN 0.731 nan 8.150 nan 0.000 0.443 220 N N -1.717 116.811 118.700 -0.286 0.000 2.396 220 N HA -0.163 4.577 4.740 0.001 0.000 0.180 220 N C 1.388 176.830 175.510 -0.113 0.000 1.028 220 N CA 1.484 54.445 53.050 -0.149 0.000 0.893 220 N CB -0.639 37.835 38.487 -0.023 0.000 0.967 220 N HN 0.502 nan 8.380 nan 0.000 0.440 221 Y N 1.232 121.392 120.300 -0.233 0.000 2.092 221 Y HA 0.048 4.599 4.550 0.001 0.000 0.282 221 Y C 2.601 178.463 175.900 -0.062 0.000 1.126 221 Y CA 1.705 59.713 58.100 -0.155 0.000 1.111 221 Y CB -0.984 37.466 38.460 -0.017 0.000 0.987 221 Y HN 0.131 nan 8.280 nan 0.000 0.489 222 A N 0.655 123.655 122.820 0.300 0.000 1.903 222 A HA -0.249 4.072 4.320 0.001 0.000 0.219 222 A C 2.343 180.063 177.584 0.226 0.000 1.191 222 A CA 2.364 54.585 52.037 0.306 0.000 0.638 222 A CB -1.423 17.756 19.000 0.298 0.000 0.823 222 A HN 0.581 nan 8.150 nan 0.000 0.451 223 L N -1.669 119.599 121.223 0.075 0.000 2.191 223 L HA -0.171 4.169 4.340 0.001 0.000 0.212 223 L C 2.803 179.574 176.870 -0.165 0.000 1.103 223 L CA 1.325 56.132 54.840 -0.054 0.000 0.769 223 L CB -0.536 41.397 42.059 -0.210 0.000 0.908 223 L HN 0.383 nan 8.230 nan 0.000 0.438 224 R N 0.187 120.561 120.500 -0.211 0.000 2.081 224 R HA -0.138 4.203 4.340 0.001 0.000 0.235 224 R C 2.538 178.589 176.300 -0.414 0.000 1.131 224 R CA 1.293 57.125 56.100 -0.445 0.000 0.960 224 R CB -0.462 29.559 30.300 -0.465 0.000 0.856 224 R HN 0.355 nan 8.270 nan 0.000 0.436 225 A N 0.472 123.228 122.820 -0.108 0.000 1.915 225 A HA -0.210 4.111 4.320 0.001 0.000 0.220 225 A C 2.296 179.872 177.584 -0.012 0.000 1.198 225 A CA 2.166 54.305 52.037 0.170 0.000 0.647 225 A CB -1.265 18.052 19.000 0.530 0.000 0.825 225 A HN 0.532 nan 8.150 nan 0.000 0.456 226 G N -1.517 107.098 108.800 -0.308 0.000 2.430 226 G HA2 -0.021 3.939 3.960 0.001 0.000 0.216 226 G HA3 -0.021 3.939 3.960 0.001 0.000 0.216 226 G C 1.580 176.138 174.900 -0.570 0.000 1.146 226 G CA 0.849 45.365 45.100 -0.973 0.000 0.793 226 G HN 0.493 nan 8.290 nan 0.000 0.537 227 M N -0.170 119.175 119.600 -0.424 0.000 2.254 227 M HA 0.157 4.637 4.480 0.001 0.000 0.265 227 M C 2.477 178.581 176.300 -0.326 0.000 1.066 227 M CA 0.937 56.029 55.300 -0.347 0.000 1.123 227 M CB -0.254 32.103 32.600 -0.405 0.000 1.388 227 M HN 0.211 nan 8.290 nan 0.000 0.425 228 M N -0.406 118.898 119.600 -0.492 0.000 2.113 228 M HA -0.005 4.476 4.480 0.001 0.000 0.252 228 M C 1.958 178.051 176.300 -0.346 0.000 1.122 228 M CA 1.661 56.663 55.300 -0.497 0.000 1.119 228 M CB -0.575 31.447 32.600 -0.964 0.000 1.235 228 M HN 0.048 nan 8.290 nan 0.000 0.432 229 F N 0.368 120.296 119.950 -0.036 0.000 2.146 229 F HA 0.023 4.551 4.527 0.001 0.000 0.298 229 F C 2.565 178.426 175.800 0.102 0.000 1.096 229 F CA 1.304 59.342 58.000 0.063 0.000 1.275 229 F CB -1.562 37.547 39.000 0.183 0.000 1.008 229 F HN 0.267 nan 8.300 nan 0.000 0.480 230 G N -0.958 107.930 108.800 0.146 0.000 2.534 230 G HA2 0.197 4.158 3.960 0.001 0.000 0.217 230 G HA3 0.197 4.158 3.960 0.001 0.000 0.217 230 G C 1.717 176.629 174.900 0.021 0.000 1.128 230 G CA 0.536 45.681 45.100 0.074 0.000 0.784 230 G HN 0.689 nan 8.290 nan 0.000 0.542 231 G N -0.851 107.929 108.800 -0.033 0.000 2.168 231 G HA2 -0.264 3.696 3.960 0.001 0.000 0.257 231 G HA3 -0.264 3.696 3.960 0.001 0.000 0.257 231 G C 0.345 175.235 174.900 -0.016 0.000 0.997 231 G CA 0.299 45.398 45.100 -0.001 0.000 0.708 231 G HN 0.823 nan 8.290 nan 0.000 0.520 232 V N 1.805 121.671 119.914 -0.081 0.000 2.485 232 V HA 0.267 4.388 4.120 0.001 0.000 0.287 232 V C 1.363 177.444 176.094 -0.020 0.000 1.022 232 V CA 0.508 62.779 62.300 -0.048 0.000 1.067 232 V CB 0.611 32.374 31.823 -0.100 0.000 0.967 232 V HN 0.385 nan 8.190 nan 0.000 0.479 233 T N 8.751 123.313 114.554 0.014 0.000 2.866 233 T HA 0.072 4.422 4.350 0.001 0.000 0.293 233 T C -2.182 172.540 174.700 0.037 0.000 1.005 233 T CA -0.305 61.811 62.100 0.027 0.000 1.162 233 T CB 0.161 69.047 68.868 0.030 0.000 0.968 233 T HN 0.528 nan 8.240 nan 0.000 0.530 234 P HA 0.186 nan 4.420 nan 0.000 0.261 234 P C 1.055 178.395 177.300 0.067 0.000 1.183 234 P CA 0.955 64.092 63.100 0.062 0.000 0.761 234 P CB 0.196 31.940 31.700 0.074 0.000 0.785 235 G N 3.090 111.952 108.800 0.102 0.000 2.213 235 G HA2 -0.239 3.722 3.960 0.001 0.000 0.236 235 G HA3 -0.239 3.722 3.960 0.001 0.000 0.236 235 G C 0.507 175.472 174.900 0.108 0.000 0.991 235 G CA -0.053 45.119 45.100 0.120 0.000 0.629 235 G HN 0.790 nan 8.290 nan 0.000 0.517 236 A N 0.969 123.842 122.820 0.088 0.000 3.026 236 A HA 0.623 4.943 4.320 0.001 0.000 0.272 236 A C 1.483 179.115 177.584 0.079 0.000 1.782 236 A CA 1.178 53.255 52.037 0.065 0.000 1.451 236 A CB -0.398 18.631 19.000 0.049 0.000 1.081 236 A HN 0.539 nan 8.150 nan 0.000 0.611 237 R N 0.456 121.008 120.500 0.085 0.000 2.112 237 R HA -0.191 4.150 4.340 0.001 0.000 0.242 237 R C 1.884 178.142 176.300 -0.070 0.000 1.137 237 R CA 2.071 58.215 56.100 0.075 0.000 0.944 237 R CB -0.046 30.256 30.300 0.003 0.000 0.857 237 R HN 0.783 nan 8.270 nan 0.000 0.435 238 E N 0.345 120.483 120.200 -0.105 0.000 2.051 238 E HA -0.202 4.148 4.350 0.001 0.000 0.192 238 E C 1.841 178.364 176.600 -0.128 0.000 0.991 238 E CA 1.315 57.610 56.400 -0.176 0.000 0.799 238 E CB 0.036 29.688 29.700 -0.082 0.000 0.748 238 E HN 0.431 nan 8.360 nan 0.000 0.449 239 E N 0.098 120.285 120.200 -0.022 0.000 2.058 239 E HA -0.214 4.137 4.350 0.001 0.000 0.194 239 E C 2.190 178.830 176.600 0.065 0.000 0.997 239 E CA 0.924 57.346 56.400 0.036 0.000 0.801 239 E CB -0.012 29.721 29.700 0.055 0.000 0.746 239 E HN 0.268 nan 8.360 nan 0.000 0.450 240 Q N 0.375 120.220 119.800 0.074 0.000 2.061 240 Q HA -0.162 4.178 4.340 0.001 0.000 0.204 240 Q C 2.179 178.261 176.000 0.137 0.000 0.984 240 Q CA 1.311 57.202 55.803 0.147 0.000 0.846 240 Q CB -0.380 28.513 28.738 0.259 0.000 0.902 240 Q HN 0.280 nan 8.270 nan 0.000 0.421 241 R N 0.712 121.152 120.500 -0.100 0.000 2.081 241 R HA -0.141 4.199 4.340 0.001 0.000 0.235 241 R C 2.043 178.082 176.300 -0.436 0.000 1.131 241 R CA 1.432 57.232 56.100 -0.499 0.000 0.960 241 R CB -0.310 29.163 30.300 -1.377 0.000 0.856 241 R HN 0.310 nan 8.270 nan 0.000 0.436 242 D N 0.051 120.298 120.400 -0.255 0.000 2.104 242 D HA -0.243 4.397 4.640 0.001 0.000 0.194 242 D C 1.732 178.149 176.300 0.194 0.000 0.994 242 D CA 1.158 55.237 54.000 0.132 0.000 0.830 242 D CB -0.133 40.749 40.800 0.137 0.000 0.959 242 D HN 0.215 nan 8.370 nan 0.000 0.452 243 Y N 0.803 121.149 120.300 0.076 0.000 2.114 243 Y HA -0.286 4.265 4.550 0.001 0.000 0.282 243 Y C 2.331 178.331 175.900 0.167 0.000 1.165 243 Y CA 2.004 60.165 58.100 0.102 0.000 1.148 243 Y CB -0.362 38.155 38.460 0.094 0.000 0.972 243 Y HN 0.034 nan 8.280 nan 0.000 0.504 244 Q N 0.164 120.233 119.800 0.450 0.000 2.014 244 Q HA -0.282 4.058 4.340 0.001 0.000 0.207 244 Q C 2.415 178.701 176.000 0.478 0.000 0.993 244 Q CA 2.313 58.414 55.803 0.496 0.000 0.850 244 Q CB -0.753 28.234 28.738 0.414 0.000 0.916 244 Q HN 0.573 nan 8.270 nan 0.000 0.417 245 R N 0.677 121.422 120.500 0.410 0.000 2.096 245 R HA -0.072 4.268 4.340 0.001 0.000 0.235 245 R C 2.075 178.521 176.300 0.243 0.000 1.127 245 R CA 1.438 57.784 56.100 0.410 0.000 0.968 245 R CB -0.061 30.506 30.300 0.445 0.000 0.861 245 R HN 0.115 nan 8.270 nan 0.000 0.440 246 R N -0.727 119.848 120.500 0.126 0.000 2.161 246 R HA 0.129 4.470 4.340 0.001 0.000 0.213 246 R C 1.939 178.199 176.300 -0.067 0.000 1.055 246 R CA 1.212 57.310 56.100 -0.002 0.000 0.996 246 R CB 0.155 30.414 30.300 -0.067 0.000 0.901 246 R HN 0.210 nan 8.270 nan 0.000 0.456 247 R N -0.470 119.952 120.500 -0.130 0.000 2.316 247 R HA 0.241 4.582 4.340 0.001 0.000 0.201 247 R C 0.036 176.466 176.300 0.216 0.000 0.888 247 R CA 0.102 56.100 56.100 -0.169 0.000 1.041 247 R CB 0.870 30.615 30.300 -0.924 0.000 1.115 247 R HN -0.038 nan 8.270 nan 0.000 0.559 248 I N 2.189 122.941 120.570 0.304 0.000 2.313 248 I HA 0.218 4.388 4.170 0.001 0.000 0.286 248 I C -0.174 176.064 176.117 0.202 0.000 1.091 248 I CA -0.366 61.145 61.300 0.353 0.000 1.216 248 I CB 0.987 39.259 38.000 0.452 0.000 1.434 248 I HN -0.088 nan 8.210 nan 0.000 0.487 249 R N 4.062 124.680 120.500 0.196 0.000 4.164 249 R HA 0.380 4.720 4.340 0.001 0.000 0.195 249 R C 0.229 176.531 176.300 0.002 0.000 1.712 249 R CA 0.016 56.196 56.100 0.133 0.000 1.457 249 R CB 0.014 30.410 30.300 0.159 0.000 1.387 249 R HN 0.681 nan 8.270 nan 0.000 0.785 250 A N 1.639 124.302 122.820 -0.263 0.000 2.325 250 A HA 0.744 5.065 4.320 0.001 0.000 0.333 250 A C -0.669 176.782 177.584 -0.222 0.000 1.155 250 A CA -0.670 51.039 52.037 -0.547 0.000 0.814 250 A CB 0.611 18.894 19.000 -1.195 0.000 1.206 250 A HN 0.444 nan 8.150 nan 0.000 0.482 251 F N -0.518 119.407 119.950 -0.042 0.000 2.643 251 F HA 0.764 5.292 4.527 0.001 0.000 0.314 251 F C -1.006 174.837 175.800 0.072 0.000 1.096 251 F CA -1.485 56.560 58.000 0.075 0.000 0.953 251 F CB 1.189 40.224 39.000 0.058 0.000 1.345 251 F HN 0.277 nan 8.300 nan 0.000 0.468 252 V N 2.861 123.001 119.914 0.377 0.000 2.417 252 V HA 0.391 4.511 4.120 0.001 0.000 0.291 252 V C -0.270 175.963 176.094 0.233 0.000 1.024 252 V CA -0.772 61.681 62.300 0.256 0.000 0.861 252 V CB 1.590 33.560 31.823 0.245 0.000 0.985 252 V HN 0.678 nan 8.190 nan 0.000 0.436 253 L N 5.442 126.781 121.223 0.193 0.000 2.268 253 L HA 0.367 4.707 4.340 0.001 0.000 0.289 253 L C -0.760 176.195 176.870 0.142 0.000 1.064 253 L CA -0.482 54.419 54.840 0.102 0.000 0.824 253 L CB 0.247 42.346 42.059 0.068 0.000 1.202 253 L HN 0.588 nan 8.230 nan 0.000 0.433 254 Y N 5.706 125.976 120.300 -0.050 0.000 2.594 254 Y HA 0.433 4.984 4.550 0.001 0.000 0.342 254 Y C -0.490 175.418 175.900 0.014 0.000 1.010 254 Y CA -1.305 56.776 58.100 -0.031 0.000 1.270 254 Y CB 0.388 38.764 38.460 -0.139 0.000 1.125 254 Y HN 0.387 nan 8.280 nan 0.000 0.513 255 L N 5.573 126.965 121.223 0.282 0.000 2.295 255 L HA 0.745 5.085 4.340 0.001 0.000 0.285 255 L C 0.736 177.739 176.870 0.221 0.000 1.035 255 L CA -0.394 54.561 54.840 0.191 0.000 0.806 255 L CB 1.175 43.340 42.059 0.178 0.000 1.214 255 L HN 0.823 nan 8.230 nan 0.000 0.426 256 G N 2.109 111.007 108.800 0.165 0.000 2.685 256 G HA2 -0.201 3.759 3.960 0.001 0.000 0.387 256 G HA3 -0.201 3.759 3.960 0.001 0.000 0.387 256 G C -0.495 174.497 174.900 0.153 0.000 1.324 256 G CA -0.621 44.568 45.100 0.148 0.000 0.878 256 G HN 0.820 nan 8.290 nan 0.000 0.527 257 E N 0.104 120.379 120.200 0.124 0.000 2.608 257 E HA 0.070 4.420 4.350 0.001 0.000 0.259 257 E C 0.559 177.317 176.600 0.262 0.000 0.951 257 E CA 0.252 56.725 56.400 0.122 0.000 0.945 257 E CB 0.037 29.799 29.700 0.102 0.000 0.916 257 E HN 0.500 nan 8.360 nan 0.000 0.477 258 H N 3.029 122.125 119.070 0.042 0.000 2.551 258 H HA 0.191 4.748 4.556 0.001 0.000 0.358 258 H C -0.509 174.954 175.328 0.225 0.000 1.151 258 H CA -0.352 55.782 56.048 0.144 0.000 1.374 258 H CB 0.976 30.770 29.762 0.054 0.000 1.473 258 H HN 0.601 nan 8.280 nan 0.000 0.574 259 D N 0.359 121.014 120.400 0.425 0.000 2.596 259 D HA 0.077 4.718 4.640 0.001 0.000 0.234 259 D C 1.077 177.546 176.300 0.281 0.000 1.181 259 D CA -0.882 53.290 54.000 0.287 0.000 0.856 259 D CB 1.049 41.975 40.800 0.210 0.000 1.498 259 D HN 0.554 nan 8.370 nan 0.000 0.446 260 M N 0.124 119.850 119.600 0.210 0.000 2.202 260 M HA -0.108 4.373 4.480 0.001 0.000 0.262 260 M C 0.500 176.905 176.300 0.176 0.000 1.063 260 M CA 1.398 56.807 55.300 0.181 0.000 1.097 260 M CB -0.439 32.254 32.600 0.155 0.000 1.382 260 M HN 0.266 nan 8.290 nan 0.000 0.413 261 V N 0.706 120.736 119.914 0.194 0.000 2.446 261 V HA -0.113 4.008 4.120 0.001 0.000 0.244 261 V C 2.460 178.669 176.094 0.192 0.000 1.039 261 V CA 1.622 64.041 62.300 0.199 0.000 1.045 261 V CB -0.724 31.259 31.823 0.266 0.000 0.681 261 V HN 0.473 nan 8.190 nan 0.000 0.459 262 K N 0.104 120.623 120.400 0.198 0.000 2.074 262 K HA -0.209 4.111 4.320 0.001 0.000 0.209 262 K C 2.221 178.838 176.600 0.029 0.000 1.048 262 K CA 2.121 58.445 56.287 0.061 0.000 0.926 262 K CB -0.398 32.117 32.500 0.025 0.000 0.713 262 K HN 0.464 nan 8.250 nan 0.000 0.444 263 T N 0.529 115.217 114.554 0.223 0.000 2.777 263 T HA -0.108 4.242 4.350 0.001 0.000 0.266 263 T C 1.894 176.779 174.700 0.308 0.000 1.040 263 T CA 1.265 63.584 62.100 0.365 0.000 1.141 263 T CB -0.187 68.909 68.868 0.380 0.000 0.868 263 T HN 0.334 nan 8.240 nan 0.000 0.444 264 A N 1.407 124.336 122.820 0.181 0.000 1.902 264 A HA 0.193 4.513 4.320 0.001 0.000 0.217 264 A C 2.613 180.338 177.584 0.236 0.000 1.181 264 A CA 1.737 53.863 52.037 0.147 0.000 0.623 264 A CB -1.012 18.042 19.000 0.091 0.000 0.818 264 A HN 0.496 nan 8.150 nan 0.000 0.443 265 A N -0.171 122.797 122.820 0.248 0.000 1.930 265 A HA 0.210 4.531 4.320 0.001 0.000 0.217 265 A C 2.459 180.285 177.584 0.404 0.000 1.175 265 A CA 1.839 54.090 52.037 0.356 0.000 0.627 265 A CB -0.912 18.256 19.000 0.280 0.000 0.815 265 A HN 1.034 nan 8.150 nan 0.000 0.443 266 A N -1.280 121.729 122.820 0.315 0.000 1.972 266 A HA -0.044 4.276 4.320 0.001 0.000 0.219 266 A C 1.912 179.730 177.584 0.390 0.000 1.169 266 A CA 1.339 53.587 52.037 0.351 0.000 0.635 266 A CB -0.742 18.468 19.000 0.351 0.000 0.810 266 A HN 0.510 nan 8.150 nan 0.000 0.446 267 F N 0.044 120.106 119.950 0.188 0.000 2.502 267 F HA 0.033 4.560 4.527 0.001 0.000 0.298 267 F C 2.451 178.185 175.800 -0.110 0.000 1.111 267 F CA 0.551 58.609 58.000 0.097 0.000 1.445 267 F CB -0.102 38.935 39.000 0.062 0.000 1.081 267 F HN 0.331 nan 8.300 nan 0.000 0.558 268 G N -0.250 108.429 108.800 -0.201 0.000 2.408 268 G HA2 -0.198 3.763 3.960 0.001 0.000 0.217 268 G HA3 -0.198 3.763 3.960 0.001 0.000 0.217 268 G C 1.894 176.132 174.900 -1.103 0.000 1.150 268 G CA 0.746 45.193 45.100 -1.089 0.000 0.776 268 G HN 0.403 nan 8.290 nan 0.000 0.542 269 A N 1.090 123.747 122.820 -0.273 0.000 1.865 269 A HA -0.040 4.281 4.320 0.001 0.000 0.217 269 A C 2.390 180.020 177.584 0.077 0.000 1.191 269 A CA 1.499 53.657 52.037 0.202 0.000 0.623 269 A CB -0.484 18.857 19.000 0.568 0.000 0.826 269 A HN 0.359 nan 8.150 nan 0.000 0.444 270 I N -1.764 118.865 120.570 0.098 0.000 2.118 270 I HA -0.299 3.871 4.170 0.001 0.000 0.241 270 I C 2.331 178.413 176.117 -0.058 0.000 1.070 270 I CA 1.958 63.288 61.300 0.050 0.000 1.327 270 I CB -0.495 37.390 38.000 -0.191 0.000 1.034 270 I HN 0.466 nan 8.210 nan 0.000 0.405 271 F N 1.632 121.402 119.950 -0.300 0.000 2.135 271 F HA -0.363 4.164 4.527 0.001 0.000 0.300 271 F C 2.208 177.944 175.800 -0.107 0.000 1.074 271 F CA 2.324 60.150 58.000 -0.290 0.000 1.262 271 F CB -0.404 38.358 39.000 -0.396 0.000 1.013 271 F HN 0.025 nan 8.300 nan 0.000 0.489 272 T N -1.096 113.386 114.554 -0.119 0.000 3.060 272 T HA 0.339 4.690 4.350 0.001 0.000 0.249 272 T C 1.268 175.924 174.700 -0.074 0.000 1.079 272 T CA 0.613 62.584 62.100 -0.216 0.000 1.013 272 T CB 0.227 68.942 68.868 -0.255 0.000 0.975 272 T HN 0.543 nan 8.240 nan 0.000 0.518 273 G N 1.544 110.417 108.800 0.121 0.000 2.148 273 G HA2 -0.122 3.838 3.960 0.001 0.000 0.157 273 G HA3 -0.122 3.838 3.960 0.001 0.000 0.157 273 G C -0.343 175.007 174.900 0.751 0.000 1.012 273 G CA -0.888 44.473 45.100 0.435 0.000 0.677 273 G HN 0.351 nan 8.290 nan 0.000 0.506 274 F N 1.810 122.123 119.950 0.605 0.000 2.415 274 F HA 0.563 5.090 4.527 0.001 0.000 0.348 274 F C -1.583 174.593 175.800 0.628 0.000 1.119 274 F CA -3.855 54.466 58.000 0.536 0.000 1.069 274 F CB 1.367 40.617 39.000 0.416 0.000 1.124 274 F HN -0.124 nan 8.300 nan 0.000 0.472 275 P HA 0.247 nan 4.420 nan 0.000 0.277 275 P C -0.805 176.732 177.300 0.396 0.000 1.240 275 P CA -0.237 63.166 63.100 0.505 0.000 0.798 275 P CB 1.815 33.613 31.700 0.164 0.000 0.979 276 V N 4.022 124.113 119.914 0.295 0.000 2.409 276 V HA 0.325 4.445 4.120 0.001 0.000 0.291 276 V C 0.267 176.189 176.094 -0.286 0.000 1.020 276 V CA -0.435 61.923 62.300 0.096 0.000 0.848 276 V CB 1.150 33.077 31.823 0.173 0.000 0.990 276 V HN 0.348 nan 8.190 nan 0.000 0.430 277 I N 3.803 124.165 120.570 -0.347 0.000 2.389 277 I HA 0.446 4.617 4.170 0.001 0.000 0.288 277 I C 0.304 176.179 176.117 -0.405 0.000 0.999 277 I CA 0.196 61.106 61.300 -0.650 0.000 1.129 277 I CB 2.058 39.701 38.000 -0.596 0.000 1.288 277 I HN 0.591 nan 8.210 nan 0.000 0.444 278 T N 3.113 117.405 114.554 -0.437 0.000 2.902 278 T HA 0.194 4.544 4.350 0.001 0.000 0.283 278 T C 0.838 175.421 174.700 -0.194 0.000 1.009 278 T CA -0.584 61.364 62.100 -0.252 0.000 1.051 278 T CB 0.752 69.481 68.868 -0.231 0.000 0.999 278 T HN 0.736 nan 8.240 nan 0.000 0.474 279 D N 2.892 123.220 120.400 -0.120 0.000 2.363 279 D HA -0.039 4.602 4.640 0.001 0.000 0.226 279 D C 0.254 176.543 176.300 -0.019 0.000 1.020 279 D CA 0.417 54.381 54.000 -0.061 0.000 0.892 279 D CB 0.220 41.035 40.800 0.024 0.000 0.900 279 D HN 0.336 nan 8.370 nan 0.000 0.531 280 Q N 1.427 121.180 119.800 -0.079 0.000 2.259 280 Q HA 0.327 4.667 4.340 0.001 0.000 0.249 280 Q C -2.267 173.670 176.000 -0.104 0.000 0.914 280 Q CA -2.127 53.600 55.803 -0.128 0.000 0.904 280 Q CB 1.156 29.687 28.738 -0.345 0.000 1.213 280 Q HN 0.210 nan 8.270 nan 0.000 0.428 281 P HA 0.216 nan 4.420 nan 0.000 0.276 281 P C -0.703 176.566 177.300 -0.052 0.000 1.230 281 P CA -0.034 63.041 63.100 -0.043 0.000 0.776 281 P CB 0.692 32.376 31.700 -0.026 0.000 0.888 282 L N 5.012 126.231 121.223 -0.007 0.000 2.346 282 L HA 0.490 4.830 4.340 0.001 0.000 0.276 282 L C -1.732 175.154 176.870 0.025 0.000 1.006 282 L CA -2.341 52.512 54.840 0.021 0.000 0.817 282 L CB 1.510 43.634 42.059 0.107 0.000 1.272 282 L HN 0.260 nan 8.230 nan 0.000 0.421 283 P HA 0.072 nan 4.420 nan 0.000 0.271 283 P C 0.258 177.566 177.300 0.014 0.000 1.233 283 P CA -0.291 62.813 63.100 0.007 0.000 0.789 283 P CB 0.875 32.572 31.700 -0.005 0.000 0.951 284 E N 0.195 120.397 120.200 0.003 0.000 2.171 284 E HA -0.207 4.144 4.350 0.001 0.000 0.197 284 E C 0.865 177.452 176.600 -0.022 0.000 0.997 284 E CA 1.506 57.906 56.400 -0.000 0.000 0.810 284 E CB -0.082 29.614 29.700 -0.007 0.000 0.738 284 E HN 0.583 nan 8.360 nan 0.000 0.467 285 D N -0.566 119.809 120.400 -0.041 0.000 2.358 285 D HA -0.023 4.618 4.640 0.001 0.000 0.224 285 D C 0.634 176.861 176.300 -0.121 0.000 1.123 285 D CA 0.165 54.109 54.000 -0.093 0.000 0.833 285 D CB 0.269 41.016 40.800 -0.090 0.000 0.946 285 D HN -0.083 nan 8.370 nan 0.000 0.505 286 K N 0.501 120.871 120.400 -0.050 0.000 2.646 286 K HA 0.131 4.452 4.320 0.001 0.000 0.206 286 K C -0.167 176.502 176.600 0.115 0.000 1.069 286 K CA -0.115 56.161 56.287 -0.018 0.000 1.067 286 K CB 1.060 33.590 32.500 0.051 0.000 0.807 286 K HN 0.373 nan 8.250 nan 0.000 0.482 287 Q N -0.430 119.420 119.800 0.083 0.000 2.389 287 Q HA 0.593 4.933 4.340 0.001 0.000 0.277 287 Q C -0.880 175.208 176.000 0.147 0.000 1.082 287 Q CA -0.650 55.294 55.803 0.235 0.000 0.810 287 Q CB 1.788 30.669 28.738 0.238 0.000 1.374 287 Q HN 0.030 nan 8.270 nan 0.000 0.422 288 I N 2.245 122.985 120.570 0.283 0.000 2.468 288 I HA 0.401 4.572 4.170 0.001 0.000 0.284 288 I C -2.373 173.915 176.117 0.285 0.000 1.038 288 I CA -2.528 58.896 61.300 0.207 0.000 1.083 288 I CB 2.144 40.217 38.000 0.120 0.000 1.223 288 I HN 0.525 nan 8.210 nan 0.000 0.443 289 P HA 0.012 nan 4.420 nan 0.000 0.265 289 P C -0.075 177.136 177.300 -0.148 0.000 1.187 289 P CA 0.532 63.573 63.100 -0.099 0.000 0.766 289 P CB 0.383 32.030 31.700 -0.089 0.000 0.820 290 D N -0.270 119.758 120.400 -0.620 0.000 2.808 290 D HA -0.230 4.411 4.640 0.001 0.000 0.195 290 D C 0.564 176.679 176.300 -0.307 0.000 1.057 290 D CA 1.888 55.535 54.000 -0.588 0.000 1.026 290 D CB -1.404 39.049 40.800 -0.578 0.000 1.115 290 D HN 0.572 nan 8.370 nan 0.000 0.421 291 W N -0.817 120.732 121.300 0.416 0.000 2.904 291 W HA 0.393 5.053 4.660 0.000 0.000 0.265 291 W C 0.352 177.150 176.519 0.465 0.000 1.138 291 W CA -0.451 57.161 57.345 0.445 0.000 1.455 291 W CB 0.762 30.469 29.460 0.412 0.000 0.924 291 W HN -0.046 nan 8.180 nan 0.000 0.619 292 F N 2.224 122.512 119.950 0.563 0.000 3.483 292 F HA 0.305 4.833 4.527 0.001 0.000 0.393 292 F C -1.135 174.885 175.800 0.367 0.000 1.240 292 F CA -1.763 56.441 58.000 0.340 0.000 1.320 292 F CB -0.067 39.090 39.000 0.261 0.000 1.965 292 F HN -0.139 nan 8.300 nan 0.000 0.715 293 F N 1.366 121.334 119.950 0.030 0.000 2.711 293 F HA 0.722 5.250 4.527 0.001 0.000 0.313 293 F C -1.054 174.711 175.800 -0.059 0.000 1.141 293 F CA -1.433 56.591 58.000 0.040 0.000 0.941 293 F CB 1.060 40.083 39.000 0.039 0.000 1.349 293 F HN 0.104 nan 8.300 nan 0.000 0.464 294 S N 0.735 116.493 115.700 0.097 0.000 2.508 294 S HA 0.754 5.224 4.470 0.001 0.000 0.284 294 S C -1.258 173.345 174.600 0.005 0.000 1.192 294 S CA -0.383 57.799 58.200 -0.031 0.000 1.070 294 S CB 1.112 64.321 63.200 0.015 0.000 1.004 294 S HN 0.682 nan 8.310 nan 0.000 0.493 295 V N 5.764 125.616 119.914 -0.103 0.000 2.445 295 V HA 0.320 4.441 4.120 0.001 0.000 0.283 295 V C 0.431 176.478 176.094 -0.078 0.000 1.014 295 V CA -0.511 61.746 62.300 -0.073 0.000 0.852 295 V CB 1.165 32.921 31.823 -0.112 0.000 1.021 295 V HN 1.012 nan 8.190 nan 0.000 0.435 296 E N 1.245 121.438 120.200 -0.012 0.000 2.299 296 E HA -0.044 4.307 4.350 0.001 0.000 0.193 296 E C 0.482 177.149 176.600 0.111 0.000 0.998 296 E CA 0.263 56.691 56.400 0.045 0.000 0.851 296 E CB 0.361 30.087 29.700 0.044 0.000 0.795 296 E HN 0.704 nan 8.360 nan 0.000 0.492 297 D N -0.328 120.107 120.400 0.059 0.000 2.344 297 D HA -0.042 4.599 4.640 0.001 0.000 0.253 297 D C 0.179 176.536 176.300 0.094 0.000 1.255 297 D CA -0.013 54.038 54.000 0.085 0.000 0.894 297 D CB 0.312 41.134 40.800 0.036 0.000 1.067 297 D HN -0.032 nan 8.370 nan 0.000 0.492 298 Y N 2.019 122.302 120.300 -0.028 0.000 2.315 298 Y HA -0.165 4.386 4.550 0.001 0.000 0.288 298 Y C 1.799 177.679 175.900 -0.033 0.000 1.154 298 Y CA 1.156 59.237 58.100 -0.031 0.000 1.229 298 Y CB 0.105 38.551 38.460 -0.023 0.000 0.980 298 Y HN 0.501 nan 8.280 nan 0.000 0.540 299 D N -0.592 119.865 120.400 0.095 0.000 2.312 299 D HA -0.092 4.549 4.640 0.001 0.000 0.211 299 D C 1.496 177.790 176.300 -0.010 0.000 0.964 299 D CA 0.877 54.898 54.000 0.035 0.000 0.877 299 D CB 0.134 40.953 40.800 0.032 0.000 0.924 299 D HN 0.258 nan 8.370 nan 0.000 0.515 300 K N 0.234 120.616 120.400 -0.030 0.000 2.374 300 K HA 0.229 4.550 4.320 0.001 0.000 0.202 300 K C 1.953 178.489 176.600 -0.107 0.000 1.040 300 K CA -0.299 55.955 56.287 -0.055 0.000 1.085 300 K CB 0.768 33.247 32.500 -0.035 0.000 0.873 300 K HN 0.192 nan 8.250 nan 0.000 0.539 301 I N 0.582 121.059 120.570 -0.154 0.000 2.091 301 I HA -0.327 3.844 4.170 0.001 0.000 0.239 301 I C 2.026 177.984 176.117 -0.264 0.000 1.061 301 I CA 1.422 62.579 61.300 -0.239 0.000 1.317 301 I CB -0.347 37.446 38.000 -0.345 0.000 1.031 301 I HN -0.156 nan 8.210 nan 0.000 0.401 302 V N 0.251 120.030 119.914 -0.225 0.000 2.295 302 V HA -0.328 3.793 4.120 0.001 0.000 0.246 302 V C 2.457 178.402 176.094 -0.248 0.000 1.049 302 V CA 1.979 64.125 62.300 -0.258 0.000 1.024 302 V CB -0.764 30.951 31.823 -0.179 0.000 0.648 302 V HN 0.500 nan 8.190 nan 0.000 0.447 303 Q N -0.478 119.231 119.800 -0.152 0.000 2.061 303 Q HA -0.212 4.129 4.340 0.001 0.000 0.204 303 Q C 2.270 178.192 176.000 -0.131 0.000 0.984 303 Q CA 2.108 57.846 55.803 -0.107 0.000 0.846 303 Q CB -0.175 28.524 28.738 -0.065 0.000 0.902 303 Q HN 0.630 nan 8.270 nan 0.000 0.421 304 I N 0.304 120.792 120.570 -0.137 0.000 2.315 304 I HA -0.254 3.917 4.170 0.001 0.000 0.248 304 I C 2.358 178.378 176.117 -0.161 0.000 1.117 304 I CA 0.836 62.077 61.300 -0.099 0.000 1.404 304 I CB -0.312 37.670 38.000 -0.030 0.000 1.071 304 I HN 0.236 nan 8.210 nan 0.000 0.419 305 A N 0.755 123.356 122.820 -0.366 0.000 1.877 305 A HA -0.223 4.098 4.320 0.001 0.000 0.216 305 A C 2.345 179.597 177.584 -0.553 0.000 1.186 305 A CA 1.556 53.185 52.037 -0.680 0.000 0.620 305 A CB -0.585 17.549 19.000 -1.443 0.000 0.822 305 A HN 0.295 nan 8.150 nan 0.000 0.443 306 M N -0.682 118.680 119.600 -0.397 0.000 2.082 306 M HA -0.240 4.241 4.480 0.001 0.000 0.258 306 M C 2.079 178.359 176.300 -0.033 0.000 1.069 306 M CA 2.073 57.345 55.300 -0.048 0.000 1.102 306 M CB -0.601 32.034 32.600 0.058 0.000 1.336 306 M HN 0.495 nan 8.290 nan 0.000 0.404 307 E N -0.356 119.801 120.200 -0.072 0.000 2.051 307 E HA -0.154 4.197 4.350 0.001 0.000 0.192 307 E C 2.002 178.560 176.600 -0.070 0.000 0.991 307 E CA 1.846 58.209 56.400 -0.060 0.000 0.799 307 E CB -0.216 29.446 29.700 -0.064 0.000 0.748 307 E HN 0.517 nan 8.360 nan 0.000 0.449 308 T N 0.877 115.384 114.554 -0.078 0.000 2.708 308 T HA -0.174 4.177 4.350 0.001 0.000 0.266 308 T C 1.875 176.529 174.700 -0.077 0.000 1.037 308 T CA 1.425 63.472 62.100 -0.089 0.000 1.146 308 T CB -0.170 68.700 68.868 0.004 0.000 0.865 308 T HN -0.035 nan 8.240 nan 0.000 0.435 309 R N 1.007 121.505 120.500 -0.003 0.000 2.148 309 R HA 0.084 4.425 4.340 0.001 0.000 0.227 309 R C 1.518 177.846 176.300 0.047 0.000 1.103 309 R CA 1.147 57.302 56.100 0.091 0.000 0.983 309 R CB -0.709 29.759 30.300 0.280 0.000 0.874 309 R HN 0.536 nan 8.270 nan 0.000 0.451 310 G N -0.514 108.291 108.800 0.008 0.000 2.140 310 G HA2 -0.214 3.746 3.960 0.001 0.000 0.211 310 G HA3 -0.214 3.746 3.960 0.001 0.000 0.211 310 G C -0.183 174.699 174.900 -0.030 0.000 1.013 310 G CA 0.050 45.133 45.100 -0.027 0.000 0.705 310 G HN 0.245 nan 8.290 nan 0.000 0.508 311 I N 0.986 121.571 120.570 0.025 0.000 2.352 311 I HA 0.347 4.517 4.170 0.001 0.000 0.290 311 I C 0.558 176.682 176.117 0.010 0.000 1.036 311 I CA -0.049 61.267 61.300 0.026 0.000 1.336 311 I CB 0.999 39.107 38.000 0.180 0.000 1.407 311 I HN -0.096 nan 8.210 nan 0.000 0.497 312 K N 7.516 127.889 120.400 -0.045 0.000 2.270 312 K HA 0.783 5.104 4.320 0.001 0.000 0.255 312 K C -1.082 175.503 176.600 -0.025 0.000 0.936 312 K CA -0.730 55.540 56.287 -0.029 0.000 0.809 312 K CB 2.618 35.087 32.500 -0.052 0.000 1.131 312 K HN 0.410 nan 8.250 nan 0.000 0.427 313 L N -1.457 119.773 121.223 0.011 0.000 2.630 313 L HA 0.651 4.992 4.340 0.001 0.000 0.258 313 L C 0.144 177.029 176.870 0.026 0.000 1.072 313 L CA -0.759 54.092 54.840 0.019 0.000 0.885 313 L CB 1.703 43.786 42.059 0.040 0.000 1.502 313 L HN 0.560 nan 8.230 nan 0.000 0.406 314 T N -3.696 110.876 114.554 0.030 0.000 3.636 314 T HA 0.227 4.577 4.350 0.001 0.000 0.279 314 T C 0.449 175.172 174.700 0.039 0.000 0.977 314 T CA 0.409 62.526 62.100 0.029 0.000 1.139 314 T CB -0.077 68.800 68.868 0.015 0.000 1.147 314 T HN 0.567 nan 8.240 nan 0.000 0.442 315 K N 0.827 121.250 120.400 0.038 0.000 1.691 315 K HA -0.163 4.158 4.320 0.001 0.000 0.123 315 K C 0.060 176.674 176.600 0.024 0.000 1.045 315 K CA 1.756 58.067 56.287 0.040 0.000 0.330 315 K CB -1.109 31.433 32.500 0.070 0.000 0.652 315 K HN 0.476 nan 8.250 nan 0.000 0.869 316 I N 0.812 121.397 120.570 0.025 0.000 2.834 316 I HA 0.135 4.306 4.170 0.001 0.000 0.276 316 I C -0.934 175.190 176.117 0.011 0.000 1.522 316 I CA -0.604 60.697 61.300 0.003 0.000 0.858 316 I CB 0.659 38.642 38.000 -0.028 0.000 1.585 316 I HN 0.528 nan 8.210 nan 0.000 0.574 317 K N 4.502 124.925 120.400 0.039 0.000 2.477 317 K HA 0.017 4.337 4.320 0.001 0.000 0.275 317 K C -0.666 175.940 176.600 0.010 0.000 1.054 317 K CA 0.601 56.924 56.287 0.060 0.000 1.135 317 K CB 0.201 32.742 32.500 0.068 0.000 0.854 317 K HN 0.643 nan 8.250 nan 0.000 0.484 318 L N 3.439 124.652 121.223 -0.018 0.000 2.472 318 L HA 0.178 4.519 4.340 0.001 0.000 0.260 318 L C -0.005 176.822 176.870 -0.071 0.000 1.209 318 L CA -0.111 54.656 54.840 -0.123 0.000 0.817 318 L CB 0.657 42.498 42.059 -0.364 0.000 1.106 318 L HN 0.898 nan 8.230 nan 0.000 0.479 319 D N 2.547 122.895 120.400 -0.087 0.000 2.593 319 D HA 0.587 5.228 4.640 0.001 0.000 0.251 319 D C -0.928 175.336 176.300 -0.060 0.000 1.140 319 D CA -0.354 53.615 54.000 -0.052 0.000 0.855 319 D CB 1.402 42.184 40.800 -0.030 0.000 1.267 319 D HN 0.241 nan 8.370 nan 0.000 0.532 320 L N 1.768 122.970 121.223 -0.035 0.000 2.359 320 L HA 0.510 4.851 4.340 0.001 0.000 0.256 320 L C -1.643 175.226 176.870 -0.001 0.000 1.026 320 L CA -1.970 52.861 54.840 -0.015 0.000 0.828 320 L CB 2.758 44.818 42.059 0.002 0.000 1.406 320 L HN 0.216 nan 8.230 nan 0.000 0.413 321 P HA 0.060 nan 4.420 nan 0.000 0.245 321 P C -0.152 177.145 177.300 -0.006 0.000 1.212 321 P CA 0.716 63.814 63.100 -0.003 0.000 0.774 321 P CB 0.166 31.861 31.700 -0.008 0.000 0.999 322 I N -3.893 116.679 120.570 0.003 0.000 2.797 322 I HA 0.549 4.719 4.170 0.001 0.000 0.307 322 I C -0.200 175.899 176.117 -0.031 0.000 1.033 322 I CA -1.362 59.911 61.300 -0.044 0.000 1.071 322 I CB 1.338 39.293 38.000 -0.075 0.000 1.255 322 I HN -0.367 nan 8.210 nan 0.000 0.445 323 N N 2.270 120.892 118.700 -0.131 0.000 2.444 323 N HA 0.412 5.153 4.740 0.001 0.000 0.255 323 N C -1.607 173.909 175.510 0.009 0.000 1.255 323 N CA 0.078 53.085 53.050 -0.072 0.000 0.933 323 N CB 0.893 39.295 38.487 -0.142 0.000 1.143 323 N HN 0.638 nan 8.380 nan 0.000 0.453 324 F N 0.221 120.236 119.950 0.108 0.000 2.630 324 F HA 0.595 5.122 4.527 0.001 0.000 0.325 324 F C -0.090 175.921 175.800 0.352 0.000 1.184 324 F CA -0.032 58.106 58.000 0.230 0.000 1.011 324 F CB 1.000 40.094 39.000 0.157 0.000 1.268 324 F HN 0.544 nan 8.300 nan 0.000 0.480 325 G N 5.145 113.965 108.800 0.033 0.000 2.349 325 G HA2 0.282 4.243 3.960 0.001 0.000 0.294 325 G HA3 0.282 4.243 3.960 0.001 0.000 0.294 325 G C -2.912 171.524 174.900 -0.774 0.000 1.380 325 G CA -0.709 44.299 45.100 -0.153 0.000 0.811 325 G HN 0.235 nan 8.290 nan 0.000 0.519 326 P HA -0.037 nan 4.420 nan 0.000 0.223 326 P C 1.808 178.620 177.300 -0.813 0.000 1.144 326 P CA 1.652 64.058 63.100 -1.157 0.000 0.783 326 P CB 0.107 31.412 31.700 -0.658 0.000 0.771 327 A N -0.384 121.943 122.820 -0.822 0.000 1.972 327 A HA -0.123 4.198 4.320 0.001 0.000 0.219 327 A C 1.711 178.853 177.584 -0.738 0.000 1.169 327 A CA 1.160 52.685 52.037 -0.853 0.000 0.635 327 A CB -1.649 16.709 19.000 -1.070 0.000 0.810 327 A HN 0.196 nan 8.150 nan 0.000 0.446 328 F N -0.490 119.319 119.950 -0.235 0.000 2.765 328 F HA 0.156 4.684 4.527 0.001 0.000 0.302 328 F C 1.936 177.628 175.800 -0.180 0.000 1.111 328 F CA 0.508 58.432 58.000 -0.125 0.000 1.359 328 F CB -0.017 38.938 39.000 -0.076 0.000 1.097 328 F HN 0.321 nan 8.300 nan 0.000 0.577 329 E N 1.167 121.238 120.200 -0.214 0.000 2.077 329 E HA -0.135 4.215 4.350 0.001 0.000 0.193 329 E C 2.379 178.922 176.600 -0.095 0.000 0.989 329 E CA 1.143 57.459 56.400 -0.140 0.000 0.800 329 E CB -0.319 29.264 29.700 -0.195 0.000 0.746 329 E HN 0.413 nan 8.360 nan 0.000 0.452 330 G N 1.368 110.054 108.800 -0.191 0.000 2.985 330 G HA2 -0.118 3.843 3.960 0.001 0.000 0.209 330 G HA3 -0.118 3.843 3.960 0.001 0.000 0.209 330 G C 0.396 175.137 174.900 -0.265 0.000 1.165 330 G CA 0.014 45.000 45.100 -0.190 0.000 0.776 330 G HN 0.424 nan 8.290 nan 0.000 0.541 331 E N 0.251 120.317 120.200 -0.224 0.000 2.425 331 E HA 0.336 4.686 4.350 0.001 0.000 0.258 331 E C -0.781 175.828 176.600 0.015 0.000 1.151 331 E CA -0.131 56.200 56.400 -0.116 0.000 0.958 331 E CB 0.559 30.363 29.700 0.174 0.000 0.968 331 E HN -0.024 nan 8.360 nan 0.000 0.451 332 S N 1.310 116.978 115.700 -0.054 0.000 2.513 332 S HA 0.459 4.930 4.470 0.001 0.000 0.299 332 S C -0.393 174.058 174.600 -0.247 0.000 1.087 332 S CA -0.724 57.305 58.200 -0.286 0.000 1.012 332 S CB 0.892 63.972 63.200 -0.200 0.000 1.044 332 S HN 0.442 nan 8.310 nan 0.000 0.485 333 I N 2.872 123.173 120.570 -0.448 0.000 2.359 333 I HA 0.359 4.529 4.170 0.001 0.000 0.284 333 I C 0.447 176.413 176.117 -0.251 0.000 1.018 333 I CA -0.526 60.623 61.300 -0.252 0.000 1.173 333 I CB 0.882 38.787 38.000 -0.159 0.000 1.326 333 I HN 0.350 nan 8.210 nan 0.000 0.462 334 R N 4.396 124.811 120.500 -0.141 0.000 2.643 334 R HA 0.078 4.419 4.340 0.001 0.000 0.270 334 R C 1.064 177.331 176.300 -0.055 0.000 1.061 334 R CA -0.606 55.437 56.100 -0.096 0.000 1.107 334 R CB 0.788 31.056 30.300 -0.052 0.000 0.999 334 R HN 0.414 nan 8.270 nan 0.000 0.460 335 K N 1.738 122.119 120.400 -0.031 0.000 2.127 335 K HA -0.207 4.114 4.320 0.001 0.000 0.212 335 K C 1.819 178.422 176.600 0.005 0.000 1.050 335 K CA 2.102 58.391 56.287 0.004 0.000 0.929 335 K CB -1.025 31.485 32.500 0.016 0.000 0.715 335 K HN 0.854 nan 8.250 nan 0.000 0.457 336 G N 1.198 109.997 108.800 -0.001 0.000 2.511 336 G HA2 -0.154 3.806 3.960 0.001 0.000 0.217 336 G HA3 -0.154 3.806 3.960 0.001 0.000 0.217 336 G C 0.818 175.722 174.900 0.007 0.000 1.133 336 G CA 0.509 45.610 45.100 0.002 0.000 0.792 336 G HN 0.286 nan 8.290 nan 0.000 0.539 337 D N -0.254 120.149 120.400 0.006 0.000 2.367 337 D HA 0.061 4.701 4.640 0.001 0.000 0.207 337 D C 1.434 177.761 176.300 0.044 0.000 1.034 337 D CA -0.196 53.815 54.000 0.018 0.000 0.861 337 D CB 0.178 40.978 40.800 0.001 0.000 0.943 337 D HN 0.382 nan 8.370 nan 0.000 0.515 338 M N 0.590 120.215 119.600 0.041 0.000 2.217 338 M HA 0.023 4.504 4.480 0.001 0.000 0.352 338 M C 0.355 176.725 176.300 0.117 0.000 1.376 338 M CA -0.167 55.182 55.300 0.083 0.000 1.107 338 M CB 0.989 33.630 32.600 0.068 0.000 1.723 338 M HN -0.110 nan 8.290 nan 0.000 0.461 339 Y N 5.049 125.380 120.300 0.052 0.000 2.448 339 Y HA 0.347 4.898 4.550 0.001 0.000 0.289 339 Y C 0.017 175.973 175.900 0.094 0.000 1.114 339 Y CA 0.841 58.977 58.100 0.059 0.000 1.235 339 Y CB 0.752 39.241 38.460 0.047 0.000 1.045 339 Y HN 0.584 nan 8.280 nan 0.000 0.554 340 V N 0.322 120.417 119.914 0.302 0.000 3.023 340 V HA 0.342 4.462 4.120 0.001 0.000 0.294 340 V C -1.920 174.357 176.094 0.304 0.000 1.324 340 V CA -0.739 61.740 62.300 0.298 0.000 0.979 340 V CB 2.101 34.183 31.823 0.433 0.000 1.093 340 V HN 0.107 nan 8.190 nan 0.000 0.434 341 E N 4.850 125.218 120.200 0.280 0.000 2.246 341 E HA 0.703 5.054 4.350 0.001 0.000 0.266 341 E C -1.564 175.211 176.600 0.292 0.000 0.880 341 E CA -0.821 55.772 56.400 0.321 0.000 0.762 341 E CB 1.808 31.690 29.700 0.303 0.000 1.180 341 E HN 0.697 nan 8.360 nan 0.000 0.416 342 M N 2.296 122.091 119.600 0.325 0.000 2.598 342 M HA 0.643 5.123 4.480 0.001 0.000 0.317 342 M C 0.389 176.826 176.300 0.228 0.000 1.179 342 M CA 0.010 55.439 55.300 0.215 0.000 0.936 342 M CB 1.566 34.253 32.600 0.144 0.000 1.713 342 M HN 0.725 nan 8.290 nan 0.000 0.460 343 G N 0.687 109.535 108.800 0.080 0.000 2.642 343 G HA2 0.276 4.237 3.960 0.001 0.000 0.231 343 G HA3 0.276 4.237 3.960 0.001 0.000 0.231 343 G C 0.510 175.265 174.900 -0.242 0.000 1.338 343 G CA -0.066 45.034 45.100 -0.001 0.000 0.883 343 G HN 1.934 nan 8.290 nan 0.000 0.570 344 G N -0.995 107.561 108.800 -0.407 0.000 2.168 344 G HA2 -0.060 3.900 3.960 0.001 0.000 0.257 344 G HA3 -0.060 3.900 3.960 0.001 0.000 0.257 344 G C 0.569 175.089 174.900 -0.633 0.000 0.997 344 G CA 1.337 45.840 45.100 -0.995 0.000 0.708 344 G HN 2.427 nan 8.290 nan 0.000 0.520 345 N N -2.749 115.761 118.700 -0.316 0.000 2.776 345 N HA -0.219 4.521 4.740 0.001 0.000 0.250 345 N C 1.367 176.775 175.510 -0.170 0.000 1.112 345 N CA 1.241 54.174 53.050 -0.195 0.000 0.733 345 N CB -0.495 37.886 38.487 -0.177 0.000 1.097 345 N HN 0.585 nan 8.380 nan 0.000 0.558 346 R N -0.265 120.135 120.500 -0.168 0.000 2.102 346 R HA 0.217 4.557 4.340 0.001 0.000 0.208 346 R C 0.754 177.030 176.300 -0.040 0.000 1.131 346 R CA 1.692 57.737 56.100 -0.092 0.000 1.054 346 R CB 0.238 30.495 30.300 -0.073 0.000 0.954 346 R HN 0.411 nan 8.270 nan 0.000 0.465 347 T N -0.865 113.671 114.554 -0.030 0.000 2.924 347 T HA 0.629 4.980 4.350 0.001 0.000 0.291 347 T C -2.818 171.879 174.700 -0.005 0.000 1.045 347 T CA -2.495 59.605 62.100 0.001 0.000 1.015 347 T CB 2.419 71.306 68.868 0.030 0.000 1.103 347 T HN -0.218 nan 8.240 nan 0.000 0.496 348 P HA 0.614 nan 4.420 nan 0.000 0.278 348 P C -1.289 176.040 177.300 0.048 0.000 1.238 348 P CA -0.454 62.670 63.100 0.039 0.000 0.794 348 P CB 0.730 32.467 31.700 0.062 0.000 0.955 349 A N 2.172 125.033 122.820 0.068 0.000 2.589 349 A HA 0.772 5.093 4.320 0.001 0.000 0.296 349 A C -1.519 176.145 177.584 0.133 0.000 1.062 349 A CA -0.491 51.563 52.037 0.028 0.000 0.686 349 A CB 0.850 19.839 19.000 -0.019 0.000 1.282 349 A HN 0.497 nan 8.150 nan 0.000 0.404 350 F N -0.074 119.938 119.950 0.102 0.000 2.626 350 F HA 0.853 5.381 4.527 0.001 0.000 0.311 350 F C -0.574 175.317 175.800 0.152 0.000 1.088 350 F CA -0.829 57.266 58.000 0.158 0.000 0.949 350 F CB 1.490 40.613 39.000 0.204 0.000 1.322 350 F HN 0.740 nan 8.300 nan 0.000 0.461 351 E N 2.350 122.825 120.200 0.458 0.000 2.288 351 E HA 0.731 5.082 4.350 0.001 0.000 0.268 351 E C -2.123 174.802 176.600 0.542 0.000 0.885 351 E CA -1.225 55.391 56.400 0.359 0.000 0.767 351 E CB 2.887 32.709 29.700 0.204 0.000 1.220 351 E HN 0.819 nan 8.360 nan 0.000 0.427 352 L N 2.251 123.747 121.223 0.456 0.000 2.661 352 L HA 0.275 4.616 4.340 0.001 0.000 0.263 352 L C -1.851 175.168 176.870 0.248 0.000 0.956 352 L CA -0.519 54.544 54.840 0.372 0.000 0.918 352 L CB 2.061 44.319 42.059 0.332 0.000 1.280 352 L HN 0.564 nan 8.230 nan 0.000 0.416 353 V N 5.110 125.132 119.914 0.180 0.000 2.465 353 V HA 0.681 4.801 4.120 0.001 0.000 0.279 353 V C -0.080 176.081 176.094 0.111 0.000 1.045 353 V CA -0.362 62.012 62.300 0.125 0.000 0.938 353 V CB 1.404 33.270 31.823 0.072 0.000 0.986 353 V HN 0.837 nan 8.190 nan 0.000 0.467 354 R N 1.919 122.481 120.500 0.103 0.000 2.744 354 R HA 0.709 5.049 4.340 0.001 0.000 0.279 354 R C -0.774 175.574 176.300 0.079 0.000 0.977 354 R CA -0.694 55.456 56.100 0.083 0.000 0.906 354 R CB 1.029 31.378 30.300 0.081 0.000 1.197 354 R HN 0.482 nan 8.270 nan 0.000 0.463 355 T N 1.743 116.335 114.554 0.064 0.000 2.832 355 T HA 0.372 4.722 4.350 0.001 0.000 0.296 355 T C 0.291 175.041 174.700 0.084 0.000 0.968 355 T CA -0.689 61.453 62.100 0.070 0.000 1.107 355 T CB 0.937 69.832 68.868 0.045 0.000 0.916 355 T HN 0.522 nan 8.240 nan 0.000 0.517 356 V N 0.735 120.721 119.914 0.119 0.000 2.715 356 V HA 0.807 4.927 4.120 0.001 0.000 0.310 356 V C 0.357 176.553 176.094 0.169 0.000 1.054 356 V CA -1.255 61.117 62.300 0.119 0.000 0.928 356 V CB 1.622 33.511 31.823 0.110 0.000 1.007 356 V HN 0.985 nan 8.190 nan 0.000 0.437 357 S N 1.702 117.476 115.700 0.124 0.000 2.566 357 S HA 0.050 4.521 4.470 0.001 0.000 0.280 357 S C 0.959 175.608 174.600 0.081 0.000 1.343 357 S CA 0.667 58.944 58.200 0.130 0.000 1.036 357 S CB 0.606 63.847 63.200 0.068 0.000 0.866 357 S HN 1.022 nan 8.310 nan 0.000 0.526 358 E N 1.299 121.506 120.200 0.010 0.000 2.171 358 E HA -0.202 4.149 4.350 0.001 0.000 0.197 358 E C 2.072 178.550 176.600 -0.203 0.000 0.997 358 E CA 1.664 57.847 56.400 -0.361 0.000 0.810 358 E CB -0.355 29.085 29.700 -0.435 0.000 0.738 358 E HN 0.902 nan 8.360 nan 0.000 0.467 359 S N -0.171 115.479 115.700 -0.083 0.000 2.428 359 S HA -0.089 4.382 4.470 0.001 0.000 0.230 359 S C 1.504 176.085 174.600 -0.031 0.000 1.014 359 S CA 0.741 58.910 58.200 -0.052 0.000 0.957 359 S CB -0.113 63.073 63.200 -0.022 0.000 0.784 359 S HN 0.208 nan 8.310 nan 0.000 0.499 360 E N 0.366 120.559 120.200 -0.012 0.000 2.445 360 E HA 0.391 4.741 4.350 0.001 0.000 0.189 360 E C -0.313 176.298 176.600 0.019 0.000 1.069 360 E CA -0.083 56.327 56.400 0.017 0.000 0.871 360 E CB 0.166 29.890 29.700 0.041 0.000 0.991 360 E HN 0.565 nan 8.360 nan 0.000 0.481 361 I N 0.471 121.031 120.570 -0.017 0.000 2.534 361 I HA 0.172 4.343 4.170 0.001 0.000 0.288 361 I C -1.083 175.015 176.117 -0.031 0.000 1.077 361 I CA -0.468 60.826 61.300 -0.011 0.000 1.051 361 I CB 2.051 40.053 38.000 0.004 0.000 1.234 361 I HN -0.208 nan 8.210 nan 0.000 0.425 362 T N 4.438 118.990 114.554 -0.004 0.000 2.772 362 T HA 0.237 4.588 4.350 0.001 0.000 0.288 362 T C -0.486 174.218 174.700 0.006 0.000 0.994 362 T CA -0.441 61.655 62.100 -0.007 0.000 0.951 362 T CB 1.023 69.890 68.868 -0.001 0.000 0.933 362 T HN 0.498 nan 8.240 nan 0.000 0.447 363 D N 1.812 122.215 120.400 0.005 0.000 2.382 363 D HA 0.394 5.034 4.640 0.001 0.000 0.240 363 D C 1.549 177.857 176.300 0.013 0.000 1.146 363 D CA 1.450 55.463 54.000 0.021 0.000 0.897 363 D CB 0.323 41.139 40.800 0.027 0.000 1.197 363 D HN 0.759 nan 8.370 nan 0.000 0.432 364 G N 2.245 111.054 108.800 0.015 0.000 2.196 364 G HA2 -0.351 3.610 3.960 0.001 0.000 0.268 364 G HA3 -0.351 3.610 3.960 0.001 0.000 0.268 364 G C 0.487 175.389 174.900 0.003 0.000 0.975 364 G CA 0.676 45.779 45.100 0.006 0.000 0.648 364 G HN 0.603 nan 8.290 nan 0.000 0.538 365 K N 0.497 120.901 120.400 0.007 0.000 2.338 365 K HA 0.486 4.807 4.320 0.001 0.000 0.290 365 K C -0.043 176.555 176.600 -0.003 0.000 1.069 365 K CA -0.225 56.063 56.287 0.002 0.000 0.941 365 K CB -0.003 32.500 32.500 0.006 0.000 1.023 365 K HN 0.311 nan 8.250 nan 0.000 0.477 366 I N 3.406 123.969 120.570 -0.010 0.000 2.406 366 I HA 0.226 4.397 4.170 0.001 0.000 0.290 366 I C -0.433 175.666 176.117 -0.031 0.000 0.999 366 I CA -0.486 60.803 61.300 -0.018 0.000 1.124 366 I CB 1.872 39.868 38.000 -0.006 0.000 1.289 366 I HN 0.537 nan 8.210 nan 0.000 0.441 367 E N 5.506 125.670 120.200 -0.061 0.000 2.255 367 E HA 0.440 4.791 4.350 0.001 0.000 0.256 367 E C -1.580 174.946 176.600 -0.124 0.000 0.887 367 E CA -0.603 55.751 56.400 -0.077 0.000 0.782 367 E CB 1.705 31.361 29.700 -0.073 0.000 1.214 367 E HN 0.368 nan 8.360 nan 0.000 0.417 368 V N 6.395 126.270 119.914 -0.066 0.000 2.368 368 V HA 0.278 4.398 4.120 0.001 0.000 0.266 368 V C 0.354 176.421 176.094 -0.045 0.000 1.045 368 V CA -0.336 61.933 62.300 -0.053 0.000 0.899 368 V CB 0.617 32.472 31.823 0.054 0.000 1.006 368 V HN 0.698 nan 8.190 nan 0.000 0.470 369 I N 5.927 126.439 120.570 -0.097 0.000 2.268 369 I HA 0.618 4.789 4.170 0.001 0.000 0.290 369 I C 1.060 177.206 176.117 0.048 0.000 1.125 369 I CA 0.544 61.840 61.300 -0.006 0.000 1.236 369 I CB 0.048 38.075 38.000 0.046 0.000 1.469 369 I HN 0.936 nan 8.210 nan 0.000 0.512 370 G N 7.148 115.985 108.800 0.062 0.000 2.301 370 G HA2 -0.092 3.868 3.960 0.001 0.000 0.194 370 G HA3 -0.092 3.868 3.960 0.001 0.000 0.194 370 G C -3.021 171.946 174.900 0.111 0.000 1.266 370 G CA -1.003 44.148 45.100 0.085 0.000 1.210 370 G HN 0.291 nan 8.290 nan 0.000 0.524 371 P HA 0.325 nan 4.420 nan 0.000 0.271 371 P C -0.374 177.084 177.300 0.263 0.000 1.233 371 P CA 0.031 63.227 63.100 0.161 0.000 0.764 371 P CB 0.929 32.723 31.700 0.158 0.000 0.825 372 D N 1.692 122.199 120.400 0.179 0.000 2.403 372 D HA 0.175 4.816 4.640 0.001 0.000 0.278 372 D C 1.215 177.467 176.300 -0.080 0.000 1.230 372 D CA -0.423 53.648 54.000 0.118 0.000 1.062 372 D CB 0.917 41.711 40.800 -0.010 0.000 1.119 372 D HN 0.155 nan 8.370 nan 0.000 0.557 373 I N -0.073 120.263 120.570 -0.389 0.000 2.703 373 I HA -0.144 4.027 4.170 0.001 0.000 0.259 373 I C 0.702 176.752 176.117 -0.112 0.000 1.151 373 I CA 0.422 61.493 61.300 -0.382 0.000 1.470 373 I CB 0.167 37.740 38.000 -0.713 0.000 1.112 373 I HN 0.277 nan 8.210 nan 0.000 0.437 374 D N 0.338 120.663 120.400 -0.124 0.000 2.676 374 D HA -0.046 4.595 4.640 0.001 0.000 0.239 374 D C 0.726 177.034 176.300 0.014 0.000 1.213 374 D CA 0.214 54.192 54.000 -0.036 0.000 0.835 374 D CB 0.226 40.984 40.800 -0.071 0.000 1.009 374 D HN 0.406 nan 8.370 nan 0.000 0.479 375 Q N -0.290 119.536 119.800 0.044 0.000 1.988 375 Q HA 0.262 4.603 4.340 0.001 0.000 0.202 375 Q C 0.207 176.256 176.000 0.081 0.000 0.760 375 Q CA -0.149 55.688 55.803 0.057 0.000 0.940 375 Q CB 1.263 30.032 28.738 0.051 0.000 1.214 375 Q HN 0.477 nan 8.270 nan 0.000 0.432 376 I N -2.364 118.273 120.570 0.111 0.000 2.910 376 I HA 0.744 4.915 4.170 0.001 0.000 0.310 376 I C -2.417 173.740 176.117 0.068 0.000 1.043 376 I CA -2.649 58.713 61.300 0.104 0.000 1.053 376 I CB 1.146 39.234 38.000 0.146 0.000 1.242 376 I HN -0.230 nan 8.210 nan 0.000 0.452 377 P HA 0.195 nan 4.420 nan 0.000 0.276 377 P C -0.757 176.379 177.300 -0.274 0.000 1.244 377 P CA -0.292 62.762 63.100 -0.078 0.000 0.801 377 P CB 0.854 32.524 31.700 -0.051 0.000 1.006 378 E N -0.168 119.782 120.200 -0.417 0.000 2.442 378 E HA 0.221 4.571 4.350 0.001 0.000 0.262 378 E C 1.067 177.447 176.600 -0.367 0.000 1.004 378 E CA 0.985 56.965 56.400 -0.700 0.000 0.928 378 E CB -0.333 29.112 29.700 -0.425 0.000 0.937 378 E HN 0.792 nan 8.360 nan 0.000 0.446 379 G N 2.746 111.346 108.800 -0.335 0.000 2.179 379 G HA2 -0.323 3.638 3.960 0.001 0.000 0.260 379 G HA3 -0.323 3.638 3.960 0.001 0.000 0.260 379 G C 0.259 175.127 174.900 -0.053 0.000 0.977 379 G CA 0.528 45.552 45.100 -0.126 0.000 0.641 379 G HN 0.741 nan 8.290 nan 0.000 0.533 380 S N -0.685 114.980 115.700 -0.059 0.000 2.681 380 S HA 0.764 5.235 4.470 0.001 0.000 0.270 380 S C 0.442 175.087 174.600 0.076 0.000 1.209 380 S CA -0.024 58.183 58.200 0.011 0.000 0.988 380 S CB 1.816 65.023 63.200 0.012 0.000 1.006 380 S HN 0.495 nan 8.310 nan 0.000 0.558 381 K N -0.754 119.696 120.400 0.083 0.000 2.419 381 K HA 0.790 5.110 4.320 0.001 0.000 0.246 381 K C -1.442 175.237 176.600 0.132 0.000 1.037 381 K CA -0.837 55.516 56.287 0.111 0.000 0.982 381 K CB 0.436 32.983 32.500 0.078 0.000 1.283 381 K HN 0.398 nan 8.250 nan 0.000 0.500 382 L N 0.889 122.189 121.223 0.130 0.000 2.830 382 L HA 0.208 4.548 4.340 0.001 0.000 0.259 382 L C -2.785 174.137 176.870 0.085 0.000 0.926 382 L CA -1.190 53.727 54.840 0.127 0.000 0.993 382 L CB 2.029 44.206 42.059 0.198 0.000 1.589 382 L HN 0.450 nan 8.230 nan 0.000 0.460 383 P HA 0.464 nan 4.420 nan 0.000 0.276 383 P C -1.486 175.804 177.300 -0.016 0.000 1.252 383 P CA -0.437 62.680 63.100 0.029 0.000 0.802 383 P CB 1.636 33.359 31.700 0.039 0.000 1.035 384 L N 0.642 121.819 121.223 -0.076 0.000 2.464 384 L HA 0.707 5.047 4.340 0.001 0.000 0.266 384 L C -0.549 176.092 176.870 -0.381 0.000 0.965 384 L CA -0.207 54.517 54.840 -0.193 0.000 0.833 384 L CB 1.987 43.923 42.059 -0.205 0.000 1.296 384 L HN 0.564 nan 8.230 nan 0.000 0.405 385 G N 5.618 114.140 108.800 -0.464 0.000 2.557 385 G HA2 0.598 4.558 3.960 0.001 0.000 0.310 385 G HA3 0.598 4.558 3.960 0.001 0.000 0.310 385 G C -0.987 173.578 174.900 -0.557 0.000 1.328 385 G CA -0.426 44.007 45.100 -1.111 0.000 0.945 385 G HN 0.522 nan 8.290 nan 0.000 0.494 386 I N 2.659 122.923 120.570 -0.509 0.000 2.312 386 I HA 0.331 4.502 4.170 0.001 0.000 0.290 386 I C -0.804 175.358 176.117 0.075 0.000 1.008 386 I CA -0.740 60.441 61.300 -0.198 0.000 1.226 386 I CB 1.744 39.648 38.000 -0.161 0.000 1.371 386 I HN 0.206 nan 8.210 nan 0.000 0.468 387 L N 8.647 129.910 121.223 0.066 0.000 2.316 387 L HA 0.476 4.817 4.340 0.001 0.000 0.280 387 L C -0.699 176.237 176.870 0.110 0.000 1.006 387 L CA -0.347 54.618 54.840 0.207 0.000 0.836 387 L CB 1.479 43.736 42.059 0.329 0.000 1.221 387 L HN 0.350 nan 8.230 nan 0.000 0.418 388 V N 3.336 123.332 119.914 0.136 0.000 2.334 388 V HA 0.457 4.578 4.120 0.001 0.000 0.281 388 V C -0.601 175.563 176.094 0.116 0.000 1.016 388 V CA -0.714 61.650 62.300 0.105 0.000 0.832 388 V CB 1.068 32.952 31.823 0.102 0.000 0.999 388 V HN 0.571 nan 8.190 nan 0.000 0.439 389 D N 5.061 125.526 120.400 0.108 0.000 2.280 389 D HA 0.475 5.116 4.640 0.001 0.000 0.243 389 D C -0.369 175.997 176.300 0.109 0.000 1.129 389 D CA -0.110 53.958 54.000 0.113 0.000 0.848 389 D CB 1.833 42.700 40.800 0.112 0.000 1.107 389 D HN 0.239 nan 8.370 nan 0.000 0.471 390 I N 2.999 123.635 120.570 0.110 0.000 2.406 390 I HA 0.245 4.415 4.170 0.001 0.000 0.290 390 I C -0.640 175.571 176.117 0.156 0.000 0.999 390 I CA -0.849 60.517 61.300 0.110 0.000 1.124 390 I CB 1.242 39.278 38.000 0.061 0.000 1.289 390 I HN 0.320 nan 8.210 nan 0.000 0.441 391 Y N 5.402 125.729 120.300 0.046 0.000 2.361 391 Y HA 0.767 5.318 4.550 0.001 0.000 0.337 391 Y C -0.261 175.668 175.900 0.049 0.000 0.965 391 Y CA -0.322 57.804 58.100 0.045 0.000 1.091 391 Y CB 1.893 40.376 38.460 0.038 0.000 1.182 391 Y HN 0.666 nan 8.280 nan 0.000 0.450 392 G N 4.817 113.189 108.800 -0.714 0.000 2.646 392 G HA2 0.227 4.187 3.960 0.001 0.000 0.291 392 G HA3 0.227 4.187 3.960 0.001 0.000 0.291 392 G C -0.597 173.998 174.900 -0.507 0.000 1.445 392 G CA -1.063 43.669 45.100 -0.614 0.000 0.814 392 G HN 0.687 nan 8.290 nan 0.000 0.495 393 R N -0.270 120.057 120.500 -0.289 0.000 2.105 393 R HA -0.059 4.282 4.340 0.001 0.000 0.239 393 R C 1.667 177.930 176.300 -0.062 0.000 1.135 393 R CA 1.326 57.343 56.100 -0.138 0.000 0.967 393 R CB -0.009 30.263 30.300 -0.046 0.000 0.861 393 R HN 0.352 nan 8.270 nan 0.000 0.442 394 K N -0.223 120.168 120.400 -0.014 0.000 2.374 394 K HA 0.099 4.420 4.320 0.001 0.000 0.196 394 K C 0.371 177.053 176.600 0.137 0.000 1.023 394 K CA -0.220 56.115 56.287 0.081 0.000 1.103 394 K CB 0.258 32.836 32.500 0.130 0.000 0.848 394 K HN 0.005 nan 8.250 nan 0.000 0.528 395 M N 2.249 121.875 119.600 0.044 0.000 2.245 395 M HA -0.041 4.439 4.480 0.001 0.000 0.330 395 M C -0.487 175.802 176.300 -0.018 0.000 1.098 395 M CA 0.844 56.190 55.300 0.076 0.000 1.172 395 M CB 0.327 32.919 32.600 -0.013 0.000 1.467 395 M HN 0.186 nan 8.290 nan 0.000 0.454 396 Q N 2.755 122.515 119.800 -0.066 0.000 2.647 396 Q HA 0.616 4.956 4.340 0.001 0.000 0.283 396 Q C -0.178 175.737 176.000 -0.141 0.000 0.943 396 Q CA -0.509 55.188 55.803 -0.177 0.000 0.813 396 Q CB 0.438 28.970 28.738 -0.344 0.000 1.477 396 Q HN 0.686 nan 8.270 nan 0.000 0.393 397 A N 0.862 123.625 122.820 -0.094 0.000 1.971 397 A HA -0.292 4.028 4.320 0.001 0.000 0.222 397 A C 1.306 178.875 177.584 -0.026 0.000 1.182 397 A CA 2.480 54.493 52.037 -0.039 0.000 0.649 397 A CB -0.772 18.211 19.000 -0.029 0.000 0.818 397 A HN 0.785 nan 8.150 nan 0.000 0.458 398 D N -1.291 119.047 120.400 -0.104 0.000 2.269 398 D HA -0.013 4.628 4.640 0.001 0.000 0.208 398 D C 1.209 177.618 176.300 0.182 0.000 0.963 398 D CA 0.704 54.692 54.000 -0.021 0.000 0.864 398 D CB -0.294 40.457 40.800 -0.083 0.000 0.936 398 D HN 0.668 nan 8.370 nan 0.000 0.505 399 F N 0.212 120.175 119.950 0.022 0.000 2.732 399 F HA 0.149 4.676 4.527 0.001 0.000 0.303 399 F C 1.961 177.724 175.800 -0.061 0.000 1.110 399 F CA -0.294 57.691 58.000 -0.024 0.000 1.355 399 F CB 0.358 39.330 39.000 -0.046 0.000 1.081 399 F HN -0.095 nan 8.300 nan 0.000 0.565 400 E N 0.770 121.059 120.200 0.148 0.000 2.046 400 E HA -0.090 4.261 4.350 0.001 0.000 0.190 400 E C 2.554 179.194 176.600 0.067 0.000 0.982 400 E CA 0.883 57.333 56.400 0.083 0.000 0.800 400 E CB -0.290 29.457 29.700 0.078 0.000 0.756 400 E HN 0.415 nan 8.360 nan 0.000 0.449 401 G N 1.108 109.962 108.800 0.090 0.000 2.514 401 G HA2 -0.303 3.658 3.960 0.001 0.000 0.217 401 G HA3 -0.303 3.658 3.960 0.001 0.000 0.217 401 G C 1.715 176.637 174.900 0.037 0.000 1.198 401 G CA 1.299 46.441 45.100 0.071 0.000 0.780 401 G HN 0.145 nan 8.290 nan 0.000 0.565 402 V N 0.847 120.794 119.914 0.054 0.000 2.233 402 V HA -0.284 3.837 4.120 0.001 0.000 0.256 402 V C 2.930 178.964 176.094 -0.100 0.000 1.069 402 V CA 2.209 64.512 62.300 0.006 0.000 1.054 402 V CB -0.703 31.117 31.823 -0.003 0.000 0.664 402 V HN 0.288 nan 8.190 nan 0.000 0.453 403 L N -0.627 120.451 121.223 -0.242 0.000 2.093 403 L HA -0.129 4.212 4.340 0.001 0.000 0.208 403 L C 2.469 179.258 176.870 -0.135 0.000 1.085 403 L CA 1.962 56.591 54.840 -0.353 0.000 0.755 403 L CB -0.791 41.026 42.059 -0.402 0.000 0.904 403 L HN 0.407 nan 8.230 nan 0.000 0.435 404 E N -0.545 119.619 120.200 -0.059 0.000 2.150 404 E HA -0.234 4.116 4.350 0.001 0.000 0.193 404 E C 2.343 178.908 176.600 -0.058 0.000 0.985 404 E CA 0.510 56.900 56.400 -0.017 0.000 0.814 404 E CB 0.083 29.810 29.700 0.045 0.000 0.752 404 E HN 0.274 nan 8.360 nan 0.000 0.466 405 R N 0.133 120.594 120.500 -0.064 0.000 2.117 405 R HA -0.116 4.224 4.340 0.001 0.000 0.243 405 R C 2.011 178.215 176.300 -0.161 0.000 1.143 405 R CA 1.343 57.392 56.100 -0.084 0.000 0.968 405 R CB 0.109 30.384 30.300 -0.041 0.000 0.863 405 R HN 0.019 nan 8.270 nan 0.000 0.444 406 R N -0.010 120.334 120.500 -0.261 0.000 2.275 406 R HA 0.038 4.378 4.340 0.001 0.000 0.199 406 R C 2.061 177.809 176.300 -0.920 0.000 0.989 406 R CA 0.496 56.216 56.100 -0.633 0.000 1.016 406 R CB -0.174 29.698 30.300 -0.715 0.000 0.918 406 R HN 0.349 nan 8.270 nan 0.000 0.473 407 I N 0.221 120.528 120.570 -0.438 0.000 2.264 407 I HA -0.346 3.825 4.170 0.001 0.000 0.248 407 I C 2.655 178.546 176.117 -0.376 0.000 1.111 407 I CA 1.428 62.585 61.300 -0.240 0.000 1.382 407 I CB -0.529 37.411 38.000 -0.099 0.000 1.060 407 I HN 0.308 nan 8.210 nan 0.000 0.418 408 H N 1.636 120.329 119.070 -0.629 0.000 2.251 408 H HA -0.243 4.314 4.556 0.001 0.000 0.294 408 H C 1.773 176.860 175.328 -0.403 0.000 1.078 408 H CA 2.381 57.970 56.048 -0.765 0.000 1.246 408 H CB -0.050 29.430 29.762 -0.469 0.000 1.358 408 H HN 0.313 nan 8.280 nan 0.000 0.488 409 D N 0.383 120.536 120.400 -0.413 0.000 2.126 409 D HA -0.190 4.450 4.640 0.001 0.000 0.190 409 D C 2.233 178.412 176.300 -0.201 0.000 1.001 409 D CA 1.237 55.040 54.000 -0.328 0.000 0.841 409 D CB -0.740 39.855 40.800 -0.342 0.000 0.949 409 D HN 0.340 nan 8.370 nan 0.000 0.446 410 F N 0.712 120.557 119.950 -0.175 0.000 2.171 410 F HA -0.049 4.478 4.527 0.001 0.000 0.300 410 F C 2.562 178.429 175.800 0.111 0.000 1.090 410 F CA 0.039 58.009 58.000 -0.051 0.000 1.293 410 F CB -0.892 38.137 39.000 0.047 0.000 1.013 410 F HN -0.018 nan 8.300 nan 0.000 0.486 411 I N -0.458 120.248 120.570 0.227 0.000 2.277 411 I HA -0.239 3.932 4.170 0.001 0.000 0.243 411 I C 2.198 178.421 176.117 0.177 0.000 1.094 411 I CA 0.650 62.106 61.300 0.259 0.000 1.393 411 I CB -0.419 37.707 38.000 0.210 0.000 1.078 411 I HN 0.026 nan 8.210 nan 0.000 0.417 412 N N 0.704 119.419 118.700 0.025 0.000 2.132 412 N HA -0.256 4.485 4.740 0.001 0.000 0.191 412 N C 1.759 177.341 175.510 0.119 0.000 1.015 412 N CA 1.703 54.761 53.050 0.013 0.000 0.864 412 N CB -0.533 37.842 38.487 -0.186 0.000 1.006 412 N HN 0.473 nan 8.380 nan 0.000 0.430 413 Y N 0.830 121.013 120.300 -0.196 0.000 2.569 413 Y HA -0.037 4.513 4.550 0.001 0.000 0.293 413 Y C 1.706 177.384 175.900 -0.371 0.000 1.144 413 Y CA -0.246 57.590 58.100 -0.439 0.000 1.321 413 Y CB -0.213 37.602 38.460 -1.076 0.000 0.982 413 Y HN -0.014 nan 8.280 nan 0.000 0.558 414 G N 1.423 110.264 108.800 0.067 0.000 2.378 414 G HA2 0.031 3.991 3.960 0.001 0.000 0.255 414 G HA3 0.031 3.991 3.960 0.001 0.000 0.255 414 G C -0.669 174.195 174.900 -0.060 0.000 1.270 414 G CA -0.513 44.671 45.100 0.140 0.000 0.876 414 G HN 0.308 nan 8.290 nan 0.000 0.521 415 E N 1.621 121.605 120.200 -0.360 0.000 2.159 415 E HA 0.382 4.732 4.350 0.001 0.000 0.272 415 E C 1.325 177.751 176.600 -0.291 0.000 1.138 415 E CA 0.594 56.611 56.400 -0.638 0.000 0.915 415 E CB -0.333 28.539 29.700 -1.380 0.000 1.028 415 E HN 0.891 nan 8.360 nan 0.000 0.423 416 G N 4.081 112.805 108.800 -0.127 0.000 2.195 416 G HA2 -0.233 3.728 3.960 0.001 0.000 0.224 416 G HA3 -0.233 3.728 3.960 0.001 0.000 0.224 416 G C 0.065 174.907 174.900 -0.096 0.000 0.990 416 G CA 0.009 45.050 45.100 -0.098 0.000 0.639 416 G HN 0.490 nan 8.290 nan 0.000 0.514 417 L N -0.566 120.611 121.223 -0.077 0.000 2.307 417 L HA 0.766 5.107 4.340 0.001 0.000 0.282 417 L C -0.032 176.967 176.870 0.215 0.000 1.051 417 L CA -1.017 53.832 54.840 0.014 0.000 0.804 417 L CB 1.230 43.278 42.059 -0.019 0.000 1.197 417 L HN 0.242 nan 8.230 nan 0.000 0.431 418 W N 3.950 125.284 121.300 0.057 0.000 3.022 418 W HA 0.476 5.137 4.660 0.001 0.000 0.335 418 W C -1.252 175.323 176.519 0.093 0.000 1.133 418 W CA -0.404 56.964 57.345 0.038 0.000 1.219 418 W CB 1.206 30.639 29.460 -0.044 0.000 1.409 418 W HN 0.456 nan 8.180 nan 0.000 0.507 419 H N 3.672 122.225 119.070 -0.863 0.000 2.947 419 H HA 0.476 5.032 4.556 0.001 0.000 0.354 419 H C -1.655 173.080 175.328 -0.987 0.000 1.085 419 H CA -0.000 55.606 56.048 -0.736 0.000 1.253 419 H CB 2.286 31.908 29.762 -0.234 0.000 1.757 419 H HN 0.454 nan 8.280 nan 0.000 0.523 420 T N 2.464 116.432 114.554 -0.976 0.000 2.865 420 T HA 0.641 4.992 4.350 0.001 0.000 0.294 420 T C -0.130 174.383 174.700 -0.312 0.000 1.119 420 T CA 0.742 62.576 62.100 -0.444 0.000 1.007 420 T CB 1.052 69.637 68.868 -0.470 0.000 1.225 420 T HN 1.175 nan 8.240 nan 0.000 0.515 421 G N 1.621 110.338 108.800 -0.139 0.000 2.782 421 G HA2 0.036 3.997 3.960 0.001 0.000 0.228 421 G HA3 0.036 3.997 3.960 0.001 0.000 0.228 421 G C -0.709 174.168 174.900 -0.038 0.000 1.372 421 G CA 0.333 45.386 45.100 -0.079 0.000 0.862 421 G HN 1.066 nan 8.290 nan 0.000 0.547 422 Q N -1.228 118.548 119.800 -0.040 0.000 2.605 422 Q HA 0.806 5.146 4.340 0.001 0.000 0.296 422 Q C 0.998 176.963 176.000 -0.059 0.000 1.056 422 Q CA -0.308 55.476 55.803 -0.033 0.000 0.778 422 Q CB 1.767 30.443 28.738 -0.103 0.000 1.497 422 Q HN 1.102 nan 8.270 nan 0.000 0.443 423 R N 0.154 120.600 120.500 -0.090 0.000 3.793 423 R HA -0.360 3.981 4.340 0.001 0.000 0.464 423 R C 0.763 177.105 176.300 0.069 0.000 0.241 423 R CA 2.537 58.490 56.100 -0.245 0.000 1.464 423 R CB -1.654 28.130 30.300 -0.860 0.000 0.954 423 R HN 1.069 nan 8.270 nan 0.000 0.583 424 N N 0.688 119.418 118.700 0.050 0.000 2.230 424 N HA 0.165 4.905 4.740 0.001 0.000 0.202 424 N C 0.466 176.037 175.510 0.102 0.000 1.119 424 N CA 0.214 53.409 53.050 0.241 0.000 0.851 424 N CB 0.306 39.042 38.487 0.414 0.000 0.990 424 N HN 0.357 nan 8.380 nan 0.000 0.497 425 I N -0.898 119.685 120.570 0.022 0.000 3.874 425 I HA 0.213 4.383 4.170 0.001 0.000 0.331 425 I C 0.133 176.260 176.117 0.016 0.000 1.489 425 I CA -0.828 60.479 61.300 0.011 0.000 1.187 425 I CB -1.055 36.938 38.000 -0.011 0.000 1.150 425 I HN 0.014 nan 8.210 nan 0.000 0.412 426 N N 1.999 120.710 118.700 0.020 0.000 2.181 426 N HA -0.109 4.632 4.740 0.001 0.000 0.251 426 N C -1.081 174.456 175.510 0.045 0.000 1.234 426 N CA 0.883 53.915 53.050 -0.029 0.000 0.835 426 N CB 0.278 38.768 38.487 0.005 0.000 1.082 426 N HN 0.403 nan 8.380 nan 0.000 0.460 427 W N 4.008 125.122 121.300 -0.311 0.000 3.889 427 W HA 0.420 5.081 4.660 0.001 0.000 0.310 427 W C -2.321 174.100 176.519 -0.163 0.000 1.167 427 W CA -0.645 56.614 57.345 -0.143 0.000 1.299 427 W CB -0.254 29.196 29.460 -0.016 0.000 1.214 427 W HN 0.290 nan 8.180 nan 0.000 0.451 428 L N 5.541 127.024 121.223 0.432 0.000 2.376 428 L HA 0.749 5.090 4.340 0.001 0.000 0.258 428 L C -0.109 177.041 176.870 0.467 0.000 1.013 428 L CA -0.857 54.161 54.840 0.297 0.000 0.822 428 L CB 2.441 44.629 42.059 0.216 0.000 1.388 428 L HN 0.312 nan 8.230 nan 0.000 0.413 429 R N 0.637 121.416 120.500 0.466 0.000 2.584 429 R HA 0.773 5.113 4.340 0.001 0.000 0.276 429 R C -1.805 174.675 176.300 0.300 0.000 1.046 429 R CA -0.813 55.505 56.100 0.363 0.000 0.906 429 R CB 2.622 33.059 30.300 0.229 0.000 1.215 429 R HN 0.292 nan 8.270 nan 0.000 0.449 430 V N 1.925 121.990 119.914 0.252 0.000 2.555 430 V HA 0.313 4.434 4.120 0.001 0.000 0.302 430 V C 0.310 176.467 176.094 0.105 0.000 1.038 430 V CA -0.733 61.633 62.300 0.110 0.000 0.887 430 V CB 1.882 33.768 31.823 0.105 0.000 0.991 430 V HN 0.949 nan 8.190 nan 0.000 0.434 431 S N 3.634 119.345 115.700 0.017 0.000 2.592 431 S HA 0.280 4.750 4.470 0.001 0.000 0.271 431 S C 0.898 175.545 174.600 0.079 0.000 1.326 431 S CA -0.514 57.712 58.200 0.043 0.000 1.024 431 S CB 0.831 64.028 63.200 -0.004 0.000 0.921 431 S HN 0.676 nan 8.310 nan 0.000 0.527 432 K N 0.815 121.302 120.400 0.146 0.000 2.113 432 K HA -0.198 4.122 4.320 0.001 0.000 0.208 432 K C 1.398 178.027 176.600 0.048 0.000 1.047 432 K CA 1.999 58.398 56.287 0.187 0.000 0.928 432 K CB -0.281 32.329 32.500 0.184 0.000 0.716 432 K HN 0.761 nan 8.250 nan 0.000 0.446 433 D N 0.093 120.498 120.400 0.009 0.000 2.194 433 D HA -0.014 4.626 4.640 0.001 0.000 0.204 433 D C 1.746 178.010 176.300 -0.060 0.000 0.964 433 D CA 0.961 54.945 54.000 -0.027 0.000 0.846 433 D CB 0.087 40.868 40.800 -0.032 0.000 0.962 433 D HN 0.167 nan 8.370 nan 0.000 0.490 434 A N 0.046 122.817 122.820 -0.082 0.000 1.883 434 A HA -0.159 4.161 4.320 0.001 0.000 0.217 434 A C 2.474 180.023 177.584 -0.058 0.000 1.186 434 A CA 1.831 53.803 52.037 -0.109 0.000 0.624 434 A CB -0.992 17.874 19.000 -0.222 0.000 0.822 434 A HN 0.186 nan 8.150 nan 0.000 0.444 435 V N -0.067 119.776 119.914 -0.118 0.000 2.255 435 V HA -0.303 3.817 4.120 0.001 0.000 0.247 435 V C 3.053 179.052 176.094 -0.158 0.000 1.051 435 V CA 2.171 64.333 62.300 -0.230 0.000 1.018 435 V CB -1.397 30.024 31.823 -0.670 0.000 0.641 435 V HN 0.635 nan 8.190 nan 0.000 0.445 436 A N -0.635 122.119 122.820 -0.110 0.000 2.024 436 A HA -0.240 4.080 4.320 0.001 0.000 0.220 436 A C 2.220 179.772 177.584 -0.055 0.000 1.164 436 A CA 1.914 53.913 52.037 -0.064 0.000 0.643 436 A CB -0.451 18.531 19.000 -0.030 0.000 0.806 436 A HN 0.592 nan 8.150 nan 0.000 0.451 437 K N -1.964 118.404 120.400 -0.053 0.000 2.418 437 K HA 0.196 4.516 4.320 0.001 0.000 0.195 437 K C 1.013 177.590 176.600 -0.038 0.000 1.035 437 K CA 0.544 56.806 56.287 -0.042 0.000 1.003 437 K CB 0.060 32.533 32.500 -0.046 0.000 0.793 437 K HN 0.642 nan 8.250 nan 0.000 0.494 438 G N 1.157 109.929 108.800 -0.046 0.000 2.183 438 G HA2 -0.222 3.739 3.960 0.001 0.000 0.168 438 G HA3 -0.222 3.739 3.960 0.001 0.000 0.168 438 G C -0.237 174.622 174.900 -0.068 0.000 1.008 438 G CA -0.660 44.402 45.100 -0.063 0.000 0.677 438 G HN 0.250 nan 8.290 nan 0.000 0.498 439 F N 2.127 121.967 119.950 -0.184 0.000 2.538 439 F HA 0.743 5.271 4.527 0.001 0.000 0.371 439 F C 0.508 176.145 175.800 -0.271 0.000 1.087 439 F CA -0.163 57.711 58.000 -0.209 0.000 1.250 439 F CB 0.570 39.440 39.000 -0.216 0.000 1.110 439 F HN 0.127 nan 8.300 nan 0.000 0.570 440 R N 4.793 124.503 120.500 -1.317 0.000 2.725 440 R HA 0.334 4.674 4.340 0.001 0.000 0.277 440 R C 0.354 175.937 176.300 -1.195 0.000 0.987 440 R CA -0.651 54.795 56.100 -1.090 0.000 0.901 440 R CB 0.986 30.975 30.300 -0.518 0.000 1.207 440 R HN 0.758 nan 8.270 nan 0.000 0.463 441 F N 1.191 120.741 119.950 -0.668 0.000 2.287 441 F HA -0.295 4.232 4.527 0.001 0.000 0.301 441 F C 2.272 177.977 175.800 -0.159 0.000 1.069 441 F CA 0.989 58.806 58.000 -0.305 0.000 1.372 441 F CB 0.105 39.088 39.000 -0.027 0.000 1.056 441 F HN 0.522 nan 8.300 nan 0.000 0.523 442 K N 1.345 121.722 120.400 -0.038 0.000 2.034 442 K HA -0.286 4.035 4.320 0.001 0.000 0.214 442 K C 1.486 178.078 176.600 -0.013 0.000 1.051 442 K CA 2.329 58.596 56.287 -0.034 0.000 0.931 442 K CB -0.462 31.985 32.500 -0.089 0.000 0.715 442 K HN 0.391 nan 8.250 nan 0.000 0.446 443 N N -0.747 117.888 118.700 -0.109 0.000 2.137 443 N HA -0.221 4.519 4.740 0.001 0.000 0.190 443 N C 1.738 177.380 175.510 0.219 0.000 1.017 443 N CA 1.549 54.614 53.050 0.024 0.000 0.859 443 N CB -0.289 38.223 38.487 0.042 0.000 1.002 443 N HN 0.196 nan 8.380 nan 0.000 0.428 444 Y N 1.110 121.596 120.300 0.310 0.000 2.151 444 Y HA -0.169 4.382 4.550 0.001 0.000 0.284 444 Y C 2.631 178.613 175.900 0.137 0.000 1.166 444 Y CA 1.303 59.569 58.100 0.276 0.000 1.163 444 Y CB -1.080 37.538 38.460 0.264 0.000 0.974 444 Y HN 0.093 nan 8.280 nan 0.000 0.511 445 G N -0.621 108.326 108.800 0.245 0.000 2.404 445 G HA2 -0.217 3.744 3.960 0.001 0.000 0.215 445 G HA3 -0.217 3.744 3.960 0.001 0.000 0.215 445 G C 1.502 176.441 174.900 0.066 0.000 1.174 445 G CA 0.916 46.086 45.100 0.117 0.000 0.780 445 G HN 0.439 nan 8.290 nan 0.000 0.537 446 E N 0.074 120.299 120.200 0.042 0.000 2.118 446 E HA -0.083 4.268 4.350 0.001 0.000 0.195 446 E C 2.430 178.998 176.600 -0.052 0.000 0.992 446 E CA 0.542 56.935 56.400 -0.012 0.000 0.804 446 E CB -0.134 29.547 29.700 -0.032 0.000 0.741 446 E HN 0.490 nan 8.360 nan 0.000 0.458 447 I N 0.518 121.073 120.570 -0.025 0.000 2.090 447 I HA -0.275 3.895 4.170 0.001 0.000 0.236 447 I C 2.145 178.222 176.117 -0.065 0.000 1.064 447 I CA 0.727 61.978 61.300 -0.083 0.000 1.324 447 I CB -0.179 37.873 38.000 0.087 0.000 1.044 447 I HN 0.123 nan 8.210 nan 0.000 0.399 448 L N 0.210 121.470 121.223 0.062 0.000 2.081 448 L HA -0.197 4.144 4.340 0.001 0.000 0.212 448 L C 2.341 179.215 176.870 0.007 0.000 1.080 448 L CA 1.552 56.443 54.840 0.084 0.000 0.754 448 L CB -1.038 41.111 42.059 0.150 0.000 0.893 448 L HN 0.059 nan 8.230 nan 0.000 0.433 449 V N -0.443 119.468 119.914 -0.006 0.000 2.222 449 V HA -0.327 3.794 4.120 0.001 0.000 0.240 449 V C 2.644 178.700 176.094 -0.065 0.000 1.040 449 V CA 1.816 64.106 62.300 -0.017 0.000 0.988 449 V CB -1.291 30.524 31.823 -0.013 0.000 0.633 449 V HN 0.496 nan 8.190 nan 0.000 0.452 450 A N -0.263 122.497 122.820 -0.100 0.000 1.923 450 A HA -0.350 3.971 4.320 0.001 0.000 0.222 450 A C 2.226 179.683 177.584 -0.212 0.000 1.258 450 A CA 2.696 54.647 52.037 -0.144 0.000 0.670 450 A CB -0.646 18.247 19.000 -0.179 0.000 0.834 450 A HN 0.502 nan 8.150 nan 0.000 0.470 451 K N -1.375 118.811 120.400 -0.357 0.000 2.031 451 K HA 0.033 4.354 4.320 0.001 0.000 0.205 451 K C 2.135 178.424 176.600 -0.519 0.000 1.049 451 K CA 1.171 57.058 56.287 -0.667 0.000 0.939 451 K CB -0.504 31.189 32.500 -1.346 0.000 0.717 451 K HN 0.500 nan 8.250 nan 0.000 0.438 452 M N 1.192 120.642 119.600 -0.250 0.000 2.144 452 M HA -0.181 4.300 4.480 0.001 0.000 0.260 452 M C 1.861 178.269 176.300 0.179 0.000 1.067 452 M CA 1.643 57.041 55.300 0.164 0.000 1.095 452 M CB -0.684 32.016 32.600 0.167 0.000 1.365 452 M HN 0.104 nan 8.290 nan 0.000 0.406 453 K N -0.415 120.010 120.400 0.041 0.000 2.116 453 K HA -0.130 4.191 4.320 0.001 0.000 0.203 453 K C 1.979 178.587 176.600 0.013 0.000 1.052 453 K CA 0.897 57.211 56.287 0.045 0.000 0.952 453 K CB -0.052 32.455 32.500 0.012 0.000 0.729 453 K HN 0.392 nan 8.250 nan 0.000 0.446 454 E N 1.043 121.213 120.200 -0.051 0.000 2.047 454 E HA -0.186 4.165 4.350 0.001 0.000 0.191 454 E C 1.602 178.149 176.600 -0.089 0.000 0.987 454 E CA 1.033 57.390 56.400 -0.072 0.000 0.799 454 E CB 0.296 29.933 29.700 -0.106 0.000 0.752 454 E HN 0.141 nan 8.360 nan 0.000 0.449 455 E N -0.261 119.867 120.200 -0.121 0.000 2.107 455 E HA -0.098 4.252 4.350 0.001 0.000 0.191 455 E C 0.513 176.813 176.600 -0.499 0.000 0.982 455 E CA 0.833 57.042 56.400 -0.318 0.000 0.809 455 E CB 0.008 29.494 29.700 -0.357 0.000 0.756 455 E HN 0.284 nan 8.360 nan 0.000 0.459 456 F N 1.281 121.232 119.950 0.000 0.000 2.739 456 F HA 0.266 4.794 4.527 0.001 0.000 0.345 456 F C -2.122 173.663 175.800 -0.026 0.000 1.373 456 F CA -2.297 55.688 58.000 -0.025 0.000 1.160 456 F CB 0.714 39.705 39.000 -0.016 0.000 1.137 456 F HN -0.185 nan 8.300 nan 0.000 0.524 457 P HA 0.181 nan 4.420 nan 0.000 0.272 457 P C 0.701 178.033 177.300 0.054 0.000 1.223 457 P CA 1.037 64.172 63.100 0.059 0.000 0.784 457 P CB 1.945 33.657 31.700 0.021 0.000 0.923 458 A N 2.282 125.129 122.820 0.046 0.000 2.079 458 A HA -0.308 4.013 4.320 0.001 0.000 0.230 458 A C 1.771 179.377 177.584 0.037 0.000 0.537 458 A CA 1.639 53.697 52.037 0.034 0.000 1.134 458 A CB -2.938 16.079 19.000 0.029 0.000 1.423 458 A HN 0.486 nan 8.150 nan 0.000 0.706 459 I N -0.196 120.416 120.570 0.070 0.000 2.208 459 I HA -0.137 4.033 4.170 0.001 0.000 0.245 459 I C 0.441 176.587 176.117 0.049 0.000 1.097 459 I CA 1.828 63.180 61.300 0.087 0.000 1.363 459 I CB -0.069 37.986 38.000 0.092 0.000 1.051 459 I HN 0.312 nan 8.210 nan 0.000 0.413 460 V N 1.402 121.360 119.914 0.074 0.000 2.350 460 V HA 0.162 4.282 4.120 0.001 0.000 0.285 460 V C -0.211 175.923 176.094 0.067 0.000 1.014 460 V CA -0.346 61.995 62.300 0.068 0.000 0.831 460 V CB 1.375 33.262 31.823 0.107 0.000 1.000 460 V HN 0.129 nan 8.190 nan 0.000 0.433 461 D N 3.146 123.585 120.400 0.065 0.000 2.431 461 D HA 0.207 4.848 4.640 0.001 0.000 0.227 461 D C 0.697 177.087 176.300 0.150 0.000 1.030 461 D CA 0.483 54.547 54.000 0.106 0.000 0.897 461 D CB 0.808 41.689 40.800 0.136 0.000 1.058 461 D HN 0.432 nan 8.370 nan 0.000 0.500 462 R N 0.263 120.875 120.500 0.185 0.000 2.564 462 R HA 0.595 4.935 4.340 0.001 0.000 0.284 462 R C -1.365 175.018 176.300 0.138 0.000 1.031 462 R CA -0.549 55.658 56.100 0.178 0.000 0.904 462 R CB 3.126 33.576 30.300 0.250 0.000 1.199 462 R HN -0.234 nan 8.270 nan 0.000 0.443 463 V N 2.101 122.070 119.914 0.092 0.000 2.709 463 V HA 0.448 4.568 4.120 0.001 0.000 0.308 463 V C -0.742 175.387 176.094 0.059 0.000 1.062 463 V CA -0.861 61.485 62.300 0.077 0.000 0.901 463 V CB 2.048 33.909 31.823 0.063 0.000 1.003 463 V HN 0.730 nan 8.190 nan 0.000 0.425 464 Q N 2.644 122.480 119.800 0.061 0.000 2.305 464 Q HA 0.755 5.095 4.340 0.001 0.000 0.271 464 Q C -2.242 173.780 176.000 0.037 0.000 1.046 464 Q CA -0.453 55.376 55.803 0.043 0.000 0.798 464 Q CB 2.534 31.300 28.738 0.048 0.000 1.286 464 Q HN 0.579 nan 8.270 nan 0.000 0.435 465 V N 3.144 123.064 119.914 0.009 0.000 2.487 465 V HA 0.581 4.702 4.120 0.001 0.000 0.298 465 V C -0.659 175.381 176.094 -0.089 0.000 1.028 465 V CA -0.418 61.873 62.300 -0.015 0.000 0.860 465 V CB 2.019 33.847 31.823 0.008 0.000 0.991 465 V HN 0.888 nan 8.190 nan 0.000 0.427 466 T N 5.989 120.437 114.554 -0.178 0.000 2.841 466 T HA 0.666 5.017 4.350 0.001 0.000 0.285 466 T C -0.597 173.705 174.700 -0.663 0.000 0.991 466 T CA -0.201 61.648 62.100 -0.417 0.000 0.966 466 T CB 1.242 69.836 68.868 -0.456 0.000 0.962 466 T HN 0.339 nan 8.240 nan 0.000 0.438 467 I N 3.390 123.593 120.570 -0.611 0.000 2.328 467 I HA 0.383 4.553 4.170 0.001 0.000 0.287 467 I C -0.660 175.079 176.117 -0.630 0.000 1.012 467 I CA -0.476 60.489 61.300 -0.558 0.000 1.195 467 I CB 0.526 38.324 38.000 -0.336 0.000 1.350 467 I HN 0.565 nan 8.210 nan 0.000 0.464 468 F N 4.560 124.358 119.950 -0.253 0.000 2.368 468 F HA 0.243 4.771 4.527 0.001 0.000 0.362 468 F C 1.550 177.234 175.800 -0.193 0.000 1.137 468 F CA -0.447 57.430 58.000 -0.205 0.000 1.161 468 F CB 0.617 39.493 39.000 -0.207 0.000 1.265 468 F HN 0.570 nan 8.300 nan 0.000 0.530 469 T N -2.245 112.304 114.554 -0.010 0.000 3.039 469 T HA -0.056 4.295 4.350 0.001 0.000 0.250 469 T C 0.666 175.410 174.700 0.073 0.000 1.052 469 T CA -0.189 61.911 62.100 -0.000 0.000 1.125 469 T CB -0.111 68.763 68.868 0.010 0.000 0.908 469 T HN 0.411 nan 8.240 nan 0.000 0.473 470 D N 2.498 122.958 120.400 0.100 0.000 2.581 470 D HA -0.084 4.557 4.640 0.001 0.000 0.238 470 D C 1.104 177.459 176.300 0.092 0.000 1.145 470 D CA 0.323 54.385 54.000 0.103 0.000 0.866 470 D CB 0.958 41.833 40.800 0.124 0.000 1.151 470 D HN 0.621 nan 8.370 nan 0.000 0.500 471 E N 3.846 124.090 120.200 0.073 0.000 2.152 471 E HA -0.140 4.211 4.350 0.001 0.000 0.192 471 E C 1.675 178.308 176.600 0.055 0.000 0.983 471 E CA 1.151 57.588 56.400 0.061 0.000 0.818 471 E CB 0.046 29.779 29.700 0.053 0.000 0.758 471 E HN 0.507 nan 8.360 nan 0.000 0.467 472 A N 1.678 124.529 122.820 0.052 0.000 1.877 472 A HA -0.184 4.136 4.320 0.001 0.000 0.216 472 A C 2.089 179.696 177.584 0.039 0.000 1.186 472 A CA 1.652 53.714 52.037 0.043 0.000 0.620 472 A CB -0.441 18.584 19.000 0.043 0.000 0.822 472 A HN 0.145 nan 8.150 nan 0.000 0.443 473 K N -0.260 120.162 120.400 0.037 0.000 2.103 473 K HA -0.108 4.212 4.320 0.001 0.000 0.207 473 K C 1.948 178.474 176.600 -0.122 0.000 1.048 473 K CA 1.490 57.753 56.287 -0.039 0.000 0.930 473 K CB -0.607 31.878 32.500 -0.026 0.000 0.716 473 K HN 0.371 nan 8.250 nan 0.000 0.444 474 V N 1.825 121.736 119.914 -0.003 0.000 2.379 474 V HA -0.193 3.928 4.120 0.001 0.000 0.245 474 V C 2.695 178.892 176.094 0.172 0.000 1.044 474 V CA 2.415 64.785 62.300 0.118 0.000 1.036 474 V CB -0.611 31.276 31.823 0.107 0.000 0.664 474 V HN 0.423 nan 8.190 nan 0.000 0.453 475 K N -0.072 120.385 120.400 0.095 0.000 2.439 475 K HA -0.102 4.219 4.320 0.001 0.000 0.197 475 K C 1.883 178.501 176.600 0.030 0.000 1.041 475 K CA 1.400 57.731 56.287 0.073 0.000 0.970 475 K CB -0.440 32.089 32.500 0.048 0.000 0.773 475 K HN 0.690 nan 8.250 nan 0.000 0.479 476 E N -1.032 119.187 120.200 0.032 0.000 2.008 476 E HA -0.113 4.238 4.350 0.001 0.000 0.191 476 E C 1.593 178.145 176.600 -0.081 0.000 0.986 476 E CA 0.994 57.384 56.400 -0.016 0.000 0.807 476 E CB -0.116 29.598 29.700 0.023 0.000 0.766 476 E HN 0.652 nan 8.360 nan 0.000 0.450 477 Y N 0.319 120.447 120.300 -0.286 0.000 2.421 477 Y HA -0.074 4.476 4.550 0.001 0.000 0.292 477 Y C 2.240 177.739 175.900 -0.668 0.000 1.136 477 Y CA 0.931 58.771 58.100 -0.434 0.000 1.255 477 Y CB -0.276 37.905 38.460 -0.465 0.000 0.991 477 Y HN 0.188 nan 8.280 nan 0.000 0.552 478 M N -0.244 119.160 119.600 -0.326 0.000 2.435 478 M HA -0.212 4.268 4.480 0.001 0.000 0.262 478 M C 1.470 177.586 176.300 -0.307 0.000 1.065 478 M CA 1.407 56.486 55.300 -0.367 0.000 1.076 478 M CB 0.156 32.778 32.600 0.035 0.000 1.403 478 M HN 0.105 nan 8.290 nan 0.000 0.454 479 E N -0.459 119.589 120.200 -0.254 0.000 2.076 479 E HA -0.095 4.256 4.350 0.001 0.000 0.190 479 E C 2.056 178.483 176.600 -0.288 0.000 0.979 479 E CA 1.077 57.340 56.400 -0.228 0.000 0.807 479 E CB -0.570 29.028 29.700 -0.170 0.000 0.761 479 E HN 0.365 nan 8.360 nan 0.000 0.454 480 V N 2.062 121.772 119.914 -0.339 0.000 2.219 480 V HA -0.313 3.807 4.120 0.001 0.000 0.248 480 V C 2.491 178.352 176.094 -0.388 0.000 1.053 480 V CA 2.272 64.374 62.300 -0.331 0.000 1.009 480 V CB -1.148 30.467 31.823 -0.347 0.000 0.636 480 V HN 0.276 nan 8.190 nan 0.000 0.445 481 A N -0.251 122.243 122.820 -0.542 0.000 1.948 481 A HA -0.271 4.050 4.320 0.001 0.000 0.220 481 A C 2.319 179.229 177.584 -1.124 0.000 1.177 481 A CA 2.064 53.629 52.037 -0.787 0.000 0.636 481 A CB -0.617 17.865 19.000 -0.863 0.000 0.815 481 A HN 0.544 nan 8.150 nan 0.000 0.449 482 R N -0.901 119.174 120.500 -0.708 0.000 2.241 482 R HA -0.102 4.239 4.340 0.001 0.000 0.224 482 R C 2.030 178.149 176.300 -0.303 0.000 1.101 482 R CA 1.263 57.083 56.100 -0.466 0.000 0.995 482 R CB -0.116 30.068 30.300 -0.193 0.000 0.870 482 R HN 0.793 nan 8.270 nan 0.000 0.463 483 E N 0.614 120.629 120.200 -0.308 0.000 2.102 483 E HA -0.072 4.278 4.350 0.001 0.000 0.190 483 E C 1.479 178.000 176.600 -0.131 0.000 0.971 483 E CA 0.465 56.760 56.400 -0.175 0.000 0.821 483 E CB 0.362 29.963 29.700 -0.164 0.000 0.777 483 E HN 0.059 nan 8.360 nan 0.000 0.460 484 K N 0.205 120.493 120.400 -0.185 0.000 2.032 484 K HA -0.179 4.142 4.320 0.001 0.000 0.209 484 K C 2.117 178.762 176.600 0.075 0.000 1.048 484 K CA 1.467 57.714 56.287 -0.066 0.000 0.927 484 K CB -0.542 31.917 32.500 -0.068 0.000 0.712 484 K HN 0.416 nan 8.250 nan 0.000 0.441 485 Y N 1.531 121.822 120.300 -0.017 0.000 2.165 485 Y HA -0.292 4.258 4.550 0.001 0.000 0.286 485 Y C 2.634 178.528 175.900 -0.010 0.000 1.155 485 Y CA 1.181 59.277 58.100 -0.007 0.000 1.164 485 Y CB -0.275 38.182 38.460 -0.005 0.000 0.978 485 Y HN 0.168 nan 8.280 nan 0.000 0.513 486 K N 0.997 121.469 120.400 0.120 0.000 2.057 486 K HA -0.162 4.159 4.320 0.001 0.000 0.206 486 K C 1.480 178.101 176.600 0.035 0.000 1.050 486 K CA 1.787 58.108 56.287 0.056 0.000 0.935 486 K CB -0.344 32.166 32.500 0.017 0.000 0.715 486 K HN 0.262 nan 8.250 nan 0.000 0.439 487 E N 0.588 120.802 120.200 0.024 0.000 2.023 487 E HA -0.189 4.162 4.350 0.001 0.000 0.196 487 E C 2.201 178.818 176.600 0.029 0.000 1.003 487 E CA 1.831 58.240 56.400 0.015 0.000 0.809 487 E CB -0.077 29.625 29.700 0.004 0.000 0.755 487 E HN 0.303 nan 8.360 nan 0.000 0.449 488 R N 0.809 121.340 120.500 0.052 0.000 2.097 488 R HA -0.184 4.156 4.340 0.001 0.000 0.236 488 R C 2.112 178.438 176.300 0.044 0.000 1.135 488 R CA 1.751 57.885 56.100 0.057 0.000 0.934 488 R CB -0.423 29.930 30.300 0.088 0.000 0.846 488 R HN 0.173 nan 8.270 nan 0.000 0.431 489 D N 0.473 120.903 120.400 0.049 0.000 2.172 489 D HA -0.161 4.479 4.640 0.001 0.000 0.196 489 D C 1.466 177.774 176.300 0.014 0.000 0.999 489 D CA 1.407 55.425 54.000 0.029 0.000 0.856 489 D CB -0.370 40.448 40.800 0.031 0.000 0.934 489 D HN 0.207 nan 8.370 nan 0.000 0.453 490 D N 0.001 120.409 120.400 0.013 0.000 2.084 490 D HA -0.059 4.582 4.640 0.001 0.000 0.196 490 D C 2.208 178.507 176.300 -0.002 0.000 0.985 490 D CA 0.667 54.668 54.000 0.002 0.000 0.826 490 D CB -0.179 40.622 40.800 0.000 0.000 0.978 490 D HN 0.167 nan 8.370 nan 0.000 0.456 491 R N -0.071 120.431 120.500 0.002 0.000 2.091 491 R HA -0.050 4.290 4.340 0.001 0.000 0.238 491 R C 2.303 178.596 176.300 -0.012 0.000 1.136 491 R CA 0.886 56.984 56.100 -0.004 0.000 0.959 491 R CB -0.223 30.080 30.300 0.005 0.000 0.856 491 R HN 0.239 nan 8.270 nan 0.000 0.437 492 M N 0.669 120.268 119.600 -0.002 0.000 2.159 492 M HA -0.153 4.327 4.480 0.001 0.000 0.263 492 M C 2.093 178.380 176.300 -0.022 0.000 1.063 492 M CA 1.642 56.937 55.300 -0.007 0.000 1.110 492 M CB -0.543 32.064 32.600 0.012 0.000 1.374 492 M HN 0.166 nan 8.290 nan 0.000 0.411 493 R N -0.471 120.018 120.500 -0.018 0.000 2.237 493 R HA 0.012 4.353 4.340 0.001 0.000 0.219 493 R C 1.804 178.085 176.300 -0.031 0.000 1.080 493 R CA 1.314 57.400 56.100 -0.024 0.000 0.995 493 R CB -0.791 29.497 30.300 -0.020 0.000 0.875 493 R HN 0.368 nan 8.270 nan 0.000 0.462 494 G N 0.419 109.198 108.800 -0.035 0.000 3.324 494 G HA2 0.168 4.128 3.960 0.001 0.000 0.251 494 G HA3 0.168 4.128 3.960 0.001 0.000 0.251 494 G C 0.033 174.894 174.900 -0.065 0.000 1.072 494 G CA -0.500 44.575 45.100 -0.041 0.000 0.787 494 G HN 0.123 nan 8.290 nan 0.000 0.537 495 L N 3.483 124.655 121.223 -0.086 0.000 2.328 495 L HA 0.355 4.695 4.340 0.001 0.000 0.280 495 L C 0.457 177.236 176.870 -0.153 0.000 1.111 495 L CA -0.143 54.601 54.840 -0.161 0.000 0.909 495 L CB 0.501 42.447 42.059 -0.188 0.000 1.277 495 L HN 0.218 nan 8.230 nan 0.000 0.433 496 T N -2.042 112.435 114.554 -0.129 0.000 2.927 496 T HA 0.284 4.635 4.350 0.001 0.000 0.286 496 T C 0.676 175.333 174.700 -0.073 0.000 1.040 496 T CA -0.796 61.255 62.100 -0.082 0.000 1.010 496 T CB 1.869 70.714 68.868 -0.038 0.000 1.177 496 T HN 0.256 nan 8.240 nan 0.000 0.546 497 D N 0.312 120.719 120.400 0.011 0.000 2.117 497 D HA -0.042 4.599 4.640 0.001 0.000 0.197 497 D C 1.872 178.271 176.300 0.164 0.000 0.987 497 D CA 1.248 55.332 54.000 0.140 0.000 0.829 497 D CB -0.173 40.773 40.800 0.245 0.000 0.961 497 D HN 0.676 nan 8.370 nan 0.000 0.460 498 E N -0.726 119.547 120.200 0.122 0.000 2.265 498 E HA -0.090 4.260 4.350 0.001 0.000 0.196 498 E C 1.803 178.431 176.600 0.046 0.000 0.996 498 E CA 1.270 57.734 56.400 0.107 0.000 0.832 498 E CB -0.380 29.371 29.700 0.086 0.000 0.756 498 E HN 0.409 nan 8.360 nan 0.000 0.491 499 T N -2.585 111.969 114.554 -0.000 0.000 3.105 499 T HA 0.227 4.577 4.350 0.001 0.000 0.253 499 T C 0.554 175.224 174.700 -0.050 0.000 1.047 499 T CA -0.051 62.032 62.100 -0.027 0.000 0.944 499 T CB -0.406 68.433 68.868 -0.047 0.000 1.016 499 T HN -0.015 nan 8.240 nan 0.000 0.544 500 V N -0.127 119.754 119.914 -0.055 0.000 2.732 500 V HA 0.704 4.824 4.120 0.001 0.000 0.310 500 V C 0.210 176.266 176.094 -0.065 0.000 1.053 500 V CA -0.780 61.496 62.300 -0.040 0.000 0.957 500 V CB 1.880 33.664 31.823 -0.065 0.000 1.018 500 V HN 0.263 nan 8.190 nan 0.000 0.452 501 D N -0.082 120.287 120.400 -0.051 0.000 2.395 501 D HA 0.192 4.832 4.640 0.001 0.000 0.213 501 D C 0.320 176.472 176.300 -0.247 0.000 1.110 501 D CA -0.069 53.842 54.000 -0.149 0.000 0.835 501 D CB 0.449 41.202 40.800 -0.079 0.000 0.965 501 D HN 0.596 nan 8.370 nan 0.000 0.505 502 T N 0.602 115.066 114.554 -0.149 0.000 3.011 502 T HA 0.340 4.691 4.350 0.001 0.000 0.303 502 T C -0.572 174.191 174.700 0.106 0.000 0.997 502 T CA -0.598 61.373 62.100 -0.216 0.000 1.007 502 T CB 0.955 69.679 68.868 -0.241 0.000 1.017 502 T HN -0.027 nan 8.240 nan 0.000 0.443 503 F N 1.641 121.458 119.950 -0.223 0.000 2.370 503 F HA 0.572 5.100 4.527 0.001 0.000 0.319 503 F C -0.087 175.365 175.800 -0.581 0.000 1.129 503 F CA -1.099 56.806 58.000 -0.158 0.000 1.109 503 F CB 1.023 39.889 39.000 -0.223 0.000 1.262 503 F HN 0.447 nan 8.300 nan 0.000 0.534 504 Y N -0.025 120.258 120.300 -0.029 0.000 2.468 504 Y HA 0.276 4.827 4.550 0.001 0.000 0.342 504 Y C 0.287 176.076 175.900 -0.184 0.000 1.021 504 Y CA -0.924 57.043 58.100 -0.221 0.000 1.079 504 Y CB 1.929 40.198 38.460 -0.319 0.000 1.226 504 Y HN 0.500 nan 8.280 nan 0.000 0.460 505 S N 0.641 116.270 115.700 -0.118 0.000 2.652 505 S HA 0.577 5.047 4.470 0.001 0.000 0.270 505 S C -0.665 173.957 174.600 0.038 0.000 1.243 505 S CA -0.618 57.530 58.200 -0.086 0.000 0.999 505 S CB 1.401 64.480 63.200 -0.202 0.000 0.973 505 S HN 0.755 nan 8.310 nan 0.000 0.544 506 C N 1.945 121.283 119.300 0.063 0.000 2.481 506 C HA 0.684 5.145 4.460 0.001 0.000 0.324 506 C C 0.409 175.449 174.990 0.084 0.000 1.170 506 C CA -0.260 58.802 59.018 0.074 0.000 1.361 506 C CB 0.517 28.298 27.740 0.068 0.000 1.977 506 C HN 1.069 nan 8.230 nan 0.000 0.459 507 V N 4.569 124.541 119.914 0.098 0.000 2.991 507 V HA 0.293 4.414 4.120 0.001 0.000 0.355 507 V C 0.880 177.033 176.094 0.098 0.000 1.384 507 V CA 0.204 62.561 62.300 0.095 0.000 1.171 507 V CB -0.214 31.671 31.823 0.102 0.000 1.190 507 V HN 0.762 nan 8.190 nan 0.000 0.540 508 L N 0.615 121.890 121.223 0.087 0.000 2.056 508 L HA -0.007 4.334 4.340 0.001 0.000 0.207 508 L C 2.233 179.142 176.870 0.066 0.000 1.078 508 L CA 2.508 57.385 54.840 0.063 0.000 0.749 508 L CB -0.451 41.625 42.059 0.028 0.000 0.901 508 L HN 0.447 nan 8.230 nan 0.000 0.433 509 C N -0.148 119.210 119.300 0.096 0.000 2.511 509 C HA -0.036 4.425 4.460 0.001 0.000 0.277 509 C C 2.429 177.521 174.990 0.171 0.000 1.451 509 C CA 0.178 59.256 59.018 0.099 0.000 1.735 509 C CB -1.410 26.405 27.740 0.125 0.000 1.704 509 C HN 0.585 nan 8.230 nan 0.000 0.571 510 Q N 0.937 120.835 119.800 0.163 0.000 2.488 510 Q HA -0.098 4.243 4.340 0.001 0.000 0.211 510 Q C 2.229 178.313 176.000 0.140 0.000 0.967 510 Q CA 1.338 57.237 55.803 0.161 0.000 0.926 510 Q CB -0.053 28.756 28.738 0.119 0.000 0.992 510 Q HN 0.889 nan 8.270 nan 0.000 0.506 511 S N -0.588 115.201 115.700 0.148 0.000 2.419 511 S HA -0.105 4.366 4.470 0.001 0.000 0.233 511 S C 1.309 175.899 174.600 -0.018 0.000 1.016 511 S CA 0.924 59.199 58.200 0.124 0.000 0.974 511 S CB -0.112 63.211 63.200 0.205 0.000 0.786 511 S HN 0.293 nan 8.310 nan 0.000 0.492 512 F N 1.211 121.167 119.950 0.010 0.000 2.637 512 F HA 0.570 5.098 4.527 0.001 0.000 0.284 512 F C 1.340 177.312 175.800 0.286 0.000 1.105 512 F CA -0.127 57.938 58.000 0.108 0.000 1.356 512 F CB 0.242 39.205 39.000 -0.061 0.000 1.096 512 F HN 0.246 nan 8.300 nan 0.000 0.616 513 A N 0.555 123.598 122.820 0.370 0.000 2.786 513 A HA 0.492 4.813 4.320 0.001 0.000 0.346 513 A C -1.951 175.785 177.584 0.254 0.000 1.265 513 A CA -1.244 50.989 52.037 0.328 0.000 0.858 513 A CB -0.148 19.043 19.000 0.317 0.000 1.118 513 A HN -0.029 nan 8.150 nan 0.000 0.482 514 P HA -0.166 nan 4.420 nan 0.000 0.217 514 P C 0.827 178.195 177.300 0.112 0.000 1.151 514 P CA 1.477 64.660 63.100 0.138 0.000 0.849 514 P CB 0.297 32.069 31.700 0.121 0.000 0.787 515 N N -3.300 115.476 118.700 0.127 0.000 2.220 515 N HA -0.010 4.731 4.740 0.001 0.000 0.195 515 N C 0.355 175.925 175.510 0.100 0.000 1.123 515 N CA 0.099 53.200 53.050 0.084 0.000 0.874 515 N CB -0.574 37.955 38.487 0.070 0.000 0.995 515 N HN 0.300 nan 8.380 nan 0.000 0.498 516 H N 0.644 119.771 119.070 0.095 0.000 2.652 516 H HA 0.366 4.922 4.556 0.001 0.000 0.349 516 H C -0.708 174.684 175.328 0.106 0.000 1.099 516 H CA 0.022 56.135 56.048 0.108 0.000 1.417 516 H CB 0.631 30.475 29.762 0.136 0.000 1.457 516 H HN -0.313 nan 8.280 nan 0.000 0.568 517 V N 5.102 124.528 119.914 -0.813 0.000 2.623 517 V HA 0.212 4.333 4.120 0.001 0.000 0.304 517 V C -0.319 175.463 176.094 -0.519 0.000 1.054 517 V CA -0.979 61.040 62.300 -0.468 0.000 0.882 517 V CB 1.393 33.169 31.823 -0.077 0.000 1.002 517 V HN 0.904 nan 8.190 nan 0.000 0.424 518 C N 5.636 124.803 119.300 -0.221 0.000 2.401 518 C HA 0.607 5.067 4.460 0.001 0.000 0.365 518 C C 0.053 175.055 174.990 0.020 0.000 1.250 518 C CA -0.578 58.440 59.018 -0.001 0.000 2.131 518 C CB 0.518 28.334 27.740 0.127 0.000 2.445 518 C HN 0.612 nan 8.230 nan 0.000 0.550 519 I N 3.896 124.475 120.570 0.016 0.000 2.355 519 I HA 0.298 4.469 4.170 0.001 0.000 0.288 519 I C -0.193 175.897 176.117 -0.045 0.000 0.999 519 I CA -0.247 61.045 61.300 -0.014 0.000 1.163 519 I CB 0.945 38.932 38.000 -0.022 0.000 1.316 519 I HN 0.276 nan 8.210 nan 0.000 0.454 520 V N 6.163 126.073 119.914 -0.007 0.000 2.328 520 V HA 0.376 4.497 4.120 0.001 0.000 0.278 520 V C 0.686 176.826 176.094 0.077 0.000 1.021 520 V CA -0.408 61.917 62.300 0.042 0.000 0.838 520 V CB 1.334 33.217 31.823 0.101 0.000 0.999 520 V HN 0.906 nan 8.190 nan 0.000 0.447 521 T N 2.673 117.186 114.554 -0.069 0.000 2.948 521 T HA 0.489 4.840 4.350 0.001 0.000 0.285 521 T C -1.950 172.791 174.700 0.067 0.000 1.019 521 T CA -2.205 59.796 62.100 -0.164 0.000 1.013 521 T CB 2.212 70.668 68.868 -0.688 0.000 1.117 521 T HN 0.290 nan 8.240 nan 0.000 0.533 522 P HA -0.055 nan 4.420 nan 0.000 0.217 522 P C 0.729 178.026 177.300 -0.005 0.000 1.148 522 P CA 1.174 64.180 63.100 -0.157 0.000 0.828 522 P CB 0.075 31.543 31.700 -0.386 0.000 0.783 523 E N -1.617 118.597 120.200 0.023 0.000 2.451 523 E HA 0.146 4.497 4.350 0.001 0.000 0.194 523 E C 0.455 177.207 176.600 0.254 0.000 1.027 523 E CA -0.130 56.343 56.400 0.121 0.000 0.914 523 E CB 0.213 29.972 29.700 0.100 0.000 1.054 523 E HN 0.047 nan 8.360 nan 0.000 0.461 524 R N 1.315 121.895 120.500 0.134 0.000 2.921 524 R HA 0.151 4.491 4.340 0.001 0.000 0.269 524 R C -0.916 175.393 176.300 0.015 0.000 1.696 524 R CA -0.284 55.815 56.100 -0.003 0.000 1.161 524 R CB 1.105 31.256 30.300 -0.249 0.000 1.337 524 R HN -0.024 nan 8.270 nan 0.000 0.496 525 V N 2.870 122.845 119.914 0.102 0.000 3.209 525 V HA 0.132 4.252 4.120 0.001 0.000 0.305 525 V C 1.003 177.141 176.094 0.073 0.000 1.127 525 V CA 1.238 63.605 62.300 0.112 0.000 1.235 525 V CB 0.726 32.637 31.823 0.147 0.000 0.987 525 V HN 0.841 nan 8.190 nan 0.000 0.499 526 G N 4.499 113.351 108.800 0.086 0.000 2.368 526 G HA2 0.084 4.045 3.960 0.001 0.000 0.233 526 G HA3 0.084 4.045 3.960 0.001 0.000 0.233 526 G C 0.666 175.634 174.900 0.114 0.000 1.267 526 G CA 0.207 45.363 45.100 0.093 0.000 0.873 526 G HN 1.359 nan 8.290 nan 0.000 0.539 527 L N 1.242 122.551 121.223 0.143 0.000 2.353 527 L HA -0.081 4.259 4.340 0.001 0.000 0.220 527 L C 2.531 179.500 176.870 0.166 0.000 1.133 527 L CA 1.745 56.695 54.840 0.184 0.000 0.798 527 L CB -1.342 40.864 42.059 0.245 0.000 0.922 527 L HN 0.605 nan 8.230 nan 0.000 0.445 528 C N -1.193 118.172 119.300 0.108 0.000 2.481 528 C HA 0.582 5.043 4.460 0.001 0.000 0.275 528 C C 2.108 177.132 174.990 0.056 0.000 1.419 528 C CA -0.321 58.730 59.018 0.056 0.000 1.773 528 C CB -1.306 26.446 27.740 0.020 0.000 1.862 528 C HN 0.924 nan 8.230 nan 0.000 0.530 529 G N 0.227 109.077 108.800 0.084 0.000 2.159 529 G HA2 -0.013 3.947 3.960 0.001 0.000 0.256 529 G HA3 -0.013 3.947 3.960 0.001 0.000 0.256 529 G C 0.689 175.631 174.900 0.069 0.000 0.977 529 G CA 0.359 45.511 45.100 0.087 0.000 0.652 529 G HN 1.607 nan 8.290 nan 0.000 0.531 530 A N -0.907 121.944 122.820 0.052 0.000 2.469 530 A HA 0.705 5.026 4.320 0.001 0.000 0.245 530 A C 0.434 178.040 177.584 0.036 0.000 1.221 530 A CA 0.903 52.963 52.037 0.037 0.000 0.946 530 A CB 0.917 19.926 19.000 0.016 0.000 1.049 530 A HN 1.046 nan 8.150 nan 0.000 0.529 531 V N 2.168 122.112 119.914 0.050 0.000 2.398 531 V HA 0.387 4.507 4.120 0.001 0.000 0.282 531 V C 0.148 176.287 176.094 0.074 0.000 1.014 531 V CA -0.296 62.030 62.300 0.044 0.000 0.838 531 V CB 1.031 32.873 31.823 0.032 0.000 1.018 531 V HN 0.488 nan 8.190 nan 0.000 0.432 532 S N 2.743 118.496 115.700 0.088 0.000 2.693 532 S HA 0.345 4.816 4.470 0.001 0.000 0.276 532 S C 0.686 175.392 174.600 0.178 0.000 1.192 532 S CA -0.452 57.836 58.200 0.147 0.000 0.994 532 S CB 1.254 64.552 63.200 0.162 0.000 1.012 532 S HN 0.757 nan 8.310 nan 0.000 0.550 533 W N 1.367 122.698 121.300 0.052 0.000 2.290 533 W HA -0.215 4.446 4.660 0.001 0.000 0.318 533 W C 1.682 178.209 176.519 0.014 0.000 1.248 533 W CA 1.721 59.115 57.345 0.082 0.000 1.263 533 W CB -0.420 29.122 29.460 0.137 0.000 1.147 533 W HN 0.699 nan 8.180 nan 0.000 0.494 534 L N 0.062 121.544 121.223 0.431 0.000 2.056 534 L HA -0.243 4.098 4.340 0.001 0.000 0.207 534 L C 2.397 179.299 176.870 0.053 0.000 1.078 534 L CA 1.691 56.728 54.840 0.328 0.000 0.749 534 L CB -0.993 41.303 42.059 0.396 0.000 0.901 534 L HN -0.045 nan 8.230 nan 0.000 0.433 535 D N 0.351 120.768 120.400 0.029 0.000 2.106 535 D HA -0.247 4.393 4.640 0.001 0.000 0.191 535 D C 2.149 178.329 176.300 -0.200 0.000 0.997 535 D CA 1.846 55.811 54.000 -0.059 0.000 0.834 535 D CB -0.074 40.725 40.800 -0.001 0.000 0.956 535 D HN 0.372 nan 8.370 nan 0.000 0.448 536 A N 1.011 123.668 122.820 -0.272 0.000 1.930 536 A HA -0.196 4.124 4.320 0.001 0.000 0.217 536 A C 2.090 179.197 177.584 -0.796 0.000 1.175 536 A CA 1.649 53.438 52.037 -0.412 0.000 0.627 536 A CB -0.464 18.342 19.000 -0.323 0.000 0.815 536 A HN 0.141 nan 8.150 nan 0.000 0.443 537 K N -0.153 119.548 120.400 -1.166 0.000 2.009 537 K HA -0.178 4.143 4.320 0.001 0.000 0.210 537 K C 2.210 178.563 176.600 -0.411 0.000 1.049 537 K CA 1.432 57.067 56.287 -1.086 0.000 0.929 537 K CB -0.390 31.612 32.500 -0.830 0.000 0.714 537 K HN 0.364 nan 8.250 nan 0.000 0.440 538 A N 0.763 123.294 122.820 -0.482 0.000 1.892 538 A HA -0.221 4.100 4.320 0.001 0.000 0.218 538 A C 2.213 179.591 177.584 -0.343 0.000 1.188 538 A CA 2.468 54.061 52.037 -0.740 0.000 0.631 538 A CB -1.074 17.382 19.000 -0.906 0.000 0.822 538 A HN 0.542 nan 8.150 nan 0.000 0.447 539 S N -1.912 113.633 115.700 -0.258 0.000 2.370 539 S HA -0.243 4.228 4.470 0.001 0.000 0.226 539 S C 1.925 176.457 174.600 -0.113 0.000 1.033 539 S CA 1.833 59.934 58.200 -0.167 0.000 1.011 539 S CB -0.608 62.507 63.200 -0.142 0.000 0.852 539 S HN 0.674 nan 8.310 nan 0.000 0.457 540 Y N 2.100 122.253 120.300 -0.244 0.000 2.145 540 Y HA -0.059 4.492 4.550 0.001 0.000 0.286 540 Y C 2.400 178.147 175.900 -0.254 0.000 1.145 540 Y CA 2.211 60.177 58.100 -0.223 0.000 1.148 540 Y CB -0.564 37.778 38.460 -0.197 0.000 0.981 540 Y HN 0.214 nan 8.280 nan 0.000 0.507 541 E N 0.545 120.608 120.200 -0.228 0.000 2.171 541 E HA -0.220 4.131 4.350 0.001 0.000 0.197 541 E C 2.314 178.866 176.600 -0.080 0.000 0.997 541 E CA 1.641 57.955 56.400 -0.145 0.000 0.810 541 E CB -0.433 29.327 29.700 0.100 0.000 0.738 541 E HN 0.641 nan 8.360 nan 0.000 0.467 542 I N 0.251 120.762 120.570 -0.098 0.000 2.286 542 I HA -0.170 4.001 4.170 0.001 0.000 0.245 542 I C 0.790 176.889 176.117 -0.030 0.000 1.104 542 I CA 0.650 61.921 61.300 -0.048 0.000 1.397 542 I CB 0.130 38.087 38.000 -0.070 0.000 1.072 542 I HN -0.022 nan 8.210 nan 0.000 0.417 543 N N -0.650 118.013 118.700 -0.060 0.000 2.572 543 N HA 0.119 4.859 4.740 0.001 0.000 0.287 543 N C 0.168 175.644 175.510 -0.056 0.000 1.136 543 N CA -0.352 52.688 53.050 -0.016 0.000 0.900 543 N CB 0.701 39.181 38.487 -0.012 0.000 1.484 543 N HN 0.097 nan 8.380 nan 0.000 0.526 544 H N 1.800 120.711 119.070 -0.265 0.000 2.462 544 H HA 0.048 4.604 4.556 0.001 0.000 0.292 544 H C 1.263 176.612 175.328 0.034 0.000 1.049 544 H CA 1.142 57.011 56.048 -0.298 0.000 1.334 544 H CB 0.662 30.248 29.762 -0.292 0.000 1.404 544 H HN 0.643 nan 8.280 nan 0.000 0.544 545 A N 1.417 124.320 122.820 0.138 0.000 2.119 545 A HA 0.065 4.386 4.320 0.001 0.000 0.217 545 A C 1.865 179.517 177.584 0.114 0.000 1.153 545 A CA 0.708 52.817 52.037 0.120 0.000 0.692 545 A CB -0.523 18.522 19.000 0.076 0.000 0.799 545 A HN 0.356 nan 8.150 nan 0.000 0.458 546 G N -0.343 108.516 108.800 0.099 0.000 2.486 546 G HA2 0.334 4.294 3.960 0.001 0.000 0.272 546 G HA3 0.334 4.294 3.960 0.001 0.000 0.272 546 G C -1.058 173.902 174.900 0.099 0.000 1.426 546 G CA 0.062 45.209 45.100 0.078 0.000 1.058 546 G HN 0.189 nan 8.290 nan 0.000 0.531 547 P HA 0.036 nan 4.420 nan 0.000 0.245 547 P C -0.340 177.018 177.300 0.096 0.000 1.212 547 P CA 0.417 63.568 63.100 0.085 0.000 0.774 547 P CB 0.158 31.893 31.700 0.059 0.000 0.999 548 N N 0.009 118.768 118.700 0.099 0.000 2.346 548 N HA 0.344 5.084 4.740 0.001 0.000 0.289 548 N C -0.755 174.856 175.510 0.169 0.000 1.027 548 N CA -0.494 52.613 53.050 0.095 0.000 0.864 548 N CB 1.670 40.161 38.487 0.007 0.000 1.370 548 N HN -0.109 nan 8.380 nan 0.000 0.481 549 Q N 1.682 121.535 119.800 0.089 0.000 2.323 549 Q HA 0.431 4.771 4.340 0.001 0.000 0.271 549 Q C -2.661 173.140 176.000 -0.331 0.000 1.048 549 Q CA -2.126 53.640 55.803 -0.062 0.000 0.792 549 Q CB 2.865 31.612 28.738 0.015 0.000 1.280 549 Q HN 0.350 nan 8.270 nan 0.000 0.441 550 P HA 0.102 nan 4.420 nan 0.000 0.271 550 P C -0.756 176.172 177.300 -0.618 0.000 1.220 550 P CA 0.417 62.981 63.100 -0.895 0.000 0.768 550 P CB 0.589 31.775 31.700 -0.856 0.000 0.848 551 I N 5.462 125.657 120.570 -0.626 0.000 2.382 551 I HA 0.254 4.424 4.170 0.001 0.000 0.285 551 I C -2.110 173.767 176.117 -0.400 0.000 1.007 551 I CA -2.977 58.061 61.300 -0.437 0.000 1.142 551 I CB 2.025 39.784 38.000 -0.402 0.000 1.289 551 I HN 0.075 nan 8.210 nan 0.000 0.453 552 P HA -0.044 nan 4.420 nan 0.000 0.267 552 P C -0.484 176.600 177.300 -0.360 0.000 1.209 552 P CA -0.237 62.694 63.100 -0.281 0.000 0.763 552 P CB 0.646 32.250 31.700 -0.159 0.000 0.816 553 K N 4.161 124.241 120.400 -0.534 0.000 2.081 553 K HA 0.065 4.386 4.320 0.001 0.000 0.230 553 K C -0.299 176.127 176.600 -0.291 0.000 1.199 553 K CA 0.171 55.975 56.287 -0.805 0.000 1.130 553 K CB -0.202 31.603 32.500 -1.158 0.000 1.386 553 K HN 0.444 nan 8.250 nan 0.000 0.280 554 E N -0.138 120.032 120.200 -0.049 0.000 2.393 554 E HA 0.365 4.716 4.350 0.001 0.000 0.273 554 E C -0.156 176.570 176.600 0.210 0.000 0.918 554 E CA -0.656 55.811 56.400 0.112 0.000 0.773 554 E CB 1.790 31.501 29.700 0.018 0.000 1.275 554 E HN 0.418 nan 8.360 nan 0.000 0.451 555 G N 1.729 110.617 108.800 0.147 0.000 2.198 555 G HA2 -0.341 3.620 3.960 0.001 0.000 0.257 555 G HA3 -0.341 3.620 3.960 0.001 0.000 0.257 555 G C 0.041 174.980 174.900 0.064 0.000 1.042 555 G CA 0.732 45.890 45.100 0.097 0.000 0.791 555 G HN 0.585 nan 8.290 nan 0.000 0.502 556 E N -0.722 119.506 120.200 0.048 0.000 2.765 556 E HA 0.180 4.531 4.350 0.001 0.000 0.256 556 E C 1.331 177.786 176.600 -0.242 0.000 0.935 556 E CA 0.403 56.633 56.400 -0.284 0.000 0.954 556 E CB 0.044 29.641 29.700 -0.172 0.000 0.908 556 E HN 0.445 nan 8.360 nan 0.000 0.500 557 I N 2.719 123.090 120.570 -0.332 0.000 4.244 557 I HA 0.150 4.321 4.170 0.001 0.000 0.318 557 I C 0.091 176.080 176.117 -0.213 0.000 1.282 557 I CA -0.038 61.143 61.300 -0.198 0.000 1.276 557 I CB 0.680 38.593 38.000 -0.145 0.000 1.183 557 I HN 0.467 nan 8.210 nan 0.000 0.431 558 D N 0.441 120.640 120.400 -0.334 0.000 2.484 558 D HA 0.139 4.780 4.640 0.001 0.000 0.206 558 D C -2.379 173.699 176.300 -0.369 0.000 1.322 558 D CA -1.124 52.719 54.000 -0.262 0.000 0.913 558 D CB 2.198 42.896 40.800 -0.169 0.000 1.559 558 D HN -0.167 nan 8.370 nan 0.000 0.565 559 P HA 0.099 nan 4.420 nan 0.000 0.245 559 P C 1.521 178.861 177.300 0.067 0.000 1.203 559 P CA -0.087 62.932 63.100 -0.135 0.000 0.792 559 P CB 0.859 32.539 31.700 -0.034 0.000 0.997 560 I N 0.905 121.491 120.570 0.027 0.000 2.233 560 I HA -0.086 4.085 4.170 0.001 0.000 0.243 560 I C 2.064 178.274 176.117 0.155 0.000 1.093 560 I CA 1.372 62.722 61.300 0.082 0.000 1.380 560 I CB -1.468 36.549 38.000 0.028 0.000 1.067 560 I HN -0.011 nan 8.210 nan 0.000 0.413 561 K N 0.290 120.725 120.400 0.059 0.000 2.365 561 K HA 0.222 4.542 4.320 0.001 0.000 0.197 561 K C 0.878 177.467 176.600 -0.019 0.000 1.042 561 K CA 0.677 56.994 56.287 0.050 0.000 0.987 561 K CB 0.044 32.537 32.500 -0.013 0.000 0.779 561 K HN 0.428 nan 8.250 nan 0.000 0.484 562 G N 2.352 111.066 108.800 -0.144 0.000 2.370 562 G HA2 -0.216 3.744 3.960 0.001 0.000 0.268 562 G HA3 -0.216 3.744 3.960 0.001 0.000 0.268 562 G C -0.280 174.431 174.900 -0.315 0.000 1.122 562 G CA -0.356 44.471 45.100 -0.455 0.000 0.963 562 G HN 0.202 nan 8.290 nan 0.000 0.500 563 I N -0.098 120.188 120.570 -0.474 0.000 2.354 563 I HA 0.521 4.692 4.170 0.001 0.000 0.292 563 I C 0.159 175.999 176.117 -0.461 0.000 0.989 563 I CA -0.877 60.273 61.300 -0.250 0.000 1.188 563 I CB 1.138 39.043 38.000 -0.158 0.000 1.342 563 I HN 0.102 nan 8.210 nan 0.000 0.457 564 W N 5.062 126.375 121.300 0.021 0.000 2.656 564 W HA 0.266 4.927 4.660 0.001 0.000 0.327 564 W C 0.953 177.482 176.519 0.017 0.000 1.041 564 W CA -0.879 56.476 57.345 0.016 0.000 1.229 564 W CB 2.151 31.618 29.460 0.013 0.000 1.397 564 W HN 0.613 nan 8.180 nan 0.000 0.479 565 K N 1.325 121.826 120.400 0.169 0.000 2.032 565 K HA -0.240 4.080 4.320 0.001 0.000 0.209 565 K C 1.915 178.599 176.600 0.140 0.000 1.048 565 K CA 2.776 59.130 56.287 0.113 0.000 0.927 565 K CB -0.197 32.342 32.500 0.066 0.000 0.712 565 K HN 0.325 nan 8.250 nan 0.000 0.441 566 S N -0.555 115.241 115.700 0.160 0.000 2.423 566 S HA -0.086 4.384 4.470 0.001 0.000 0.231 566 S C 1.967 176.661 174.600 0.156 0.000 1.014 566 S CA 1.148 59.421 58.200 0.121 0.000 0.965 566 S CB -0.425 62.810 63.200 0.058 0.000 0.785 566 S HN 0.116 nan 8.310 nan 0.000 0.495 567 V N 2.803 122.841 119.914 0.205 0.000 2.407 567 V HA -0.095 4.026 4.120 0.001 0.000 0.245 567 V C 2.441 178.680 176.094 0.241 0.000 1.041 567 V CA 1.727 64.159 62.300 0.221 0.000 1.040 567 V CB -1.026 30.965 31.823 0.280 0.000 0.671 567 V HN 0.427 nan 8.190 nan 0.000 0.455 568 N N 0.761 119.584 118.700 0.205 0.000 2.069 568 N HA -0.177 4.563 4.740 0.001 0.000 0.191 568 N C 1.536 177.146 175.510 0.168 0.000 1.031 568 N CA 1.814 54.963 53.050 0.165 0.000 0.852 568 N CB -0.526 38.029 38.487 0.113 0.000 1.018 568 N HN 0.455 nan 8.380 nan 0.000 0.423 569 D N -0.412 120.077 120.400 0.149 0.000 2.117 569 D HA -0.151 4.490 4.640 0.001 0.000 0.197 569 D C 1.866 178.269 176.300 0.172 0.000 0.987 569 D CA 0.671 54.751 54.000 0.134 0.000 0.829 569 D CB -0.522 40.338 40.800 0.100 0.000 0.961 569 D HN 0.332 nan 8.370 nan 0.000 0.460 570 Y N 1.574 121.927 120.300 0.088 0.000 2.097 570 Y HA -0.194 4.356 4.550 0.001 0.000 0.282 570 Y C 2.311 178.261 175.900 0.083 0.000 1.152 570 Y CA 1.322 59.465 58.100 0.072 0.000 1.136 570 Y CB -0.490 37.994 38.460 0.040 0.000 0.975 570 Y HN -0.085 nan 8.280 nan 0.000 0.498 571 L N -0.764 120.566 121.223 0.178 0.000 1.997 571 L HA -0.334 4.006 4.340 0.001 0.000 0.216 571 L C 2.389 179.261 176.870 0.004 0.000 1.074 571 L CA 2.268 57.163 54.840 0.092 0.000 0.763 571 L CB -0.836 41.321 42.059 0.164 0.000 0.890 571 L HN 0.425 nan 8.230 nan 0.000 0.434 572 Y N 0.725 121.001 120.300 -0.039 0.000 2.040 572 Y HA -0.366 4.185 4.550 0.001 0.000 0.275 572 Y C 2.653 178.504 175.900 -0.082 0.000 1.171 572 Y CA 2.691 60.768 58.100 -0.039 0.000 1.123 572 Y CB -0.636 37.816 38.460 -0.014 0.000 0.963 572 Y HN 0.168 nan 8.280 nan 0.000 0.493 573 T N 0.209 114.713 114.554 -0.084 0.000 2.770 573 T HA -0.077 4.274 4.350 0.001 0.000 0.263 573 T C 2.105 176.648 174.700 -0.262 0.000 1.039 573 T CA 1.249 63.245 62.100 -0.173 0.000 1.142 573 T CB -0.782 68.036 68.868 -0.083 0.000 0.868 573 T HN 0.460 nan 8.240 nan 0.000 0.435 574 A N 2.041 124.620 122.820 -0.401 0.000 1.940 574 A HA -0.088 4.232 4.320 0.001 0.000 0.219 574 A C 2.372 179.840 177.584 -0.192 0.000 1.176 574 A CA 1.931 53.742 52.037 -0.377 0.000 0.631 574 A CB -0.761 17.841 19.000 -0.662 0.000 0.814 574 A HN 0.579 nan 8.150 nan 0.000 0.446 575 S N -0.366 115.230 115.700 -0.173 0.000 2.720 575 S HA 0.015 4.485 4.470 0.001 0.000 0.222 575 S C 0.416 174.937 174.600 -0.131 0.000 0.958 575 S CA 0.325 58.458 58.200 -0.111 0.000 0.943 575 S CB -0.687 62.467 63.200 -0.077 0.000 0.779 575 S HN 0.557 nan 8.310 nan 0.000 0.526 576 N N 2.319 120.916 118.700 -0.171 0.000 2.740 576 N HA -0.196 4.544 4.740 0.001 0.000 0.248 576 N C -0.196 175.168 175.510 -0.244 0.000 1.062 576 N CA 1.062 54.012 53.050 -0.166 0.000 0.704 576 N CB -1.347 37.092 38.487 -0.081 0.000 0.968 576 N HN 0.741 nan 8.380 nan 0.000 0.547 577 R N -2.480 117.744 120.500 -0.461 0.000 3.872 577 R HA -0.185 4.155 4.340 0.001 0.000 0.341 577 R C 0.559 176.639 176.300 -0.366 0.000 1.172 577 R CA 0.998 56.637 56.100 -0.768 0.000 0.901 577 R CB -1.701 28.244 30.300 -0.592 0.000 1.422 577 R HN 0.392 nan 8.270 nan 0.000 0.523 578 N N 0.204 118.781 118.700 -0.206 0.000 2.409 578 N HA 0.116 4.857 4.740 0.001 0.000 0.174 578 N C 0.339 175.850 175.510 0.001 0.000 1.037 578 N CA 0.815 53.828 53.050 -0.061 0.000 0.898 578 N CB 0.401 38.873 38.487 -0.025 0.000 1.010 578 N HN 0.183 nan 8.380 nan 0.000 0.445 579 L N 0.366 121.593 121.223 0.007 0.000 2.354 579 L HA 0.332 4.672 4.340 0.001 0.000 0.269 579 L C 0.784 177.766 176.870 0.187 0.000 1.005 579 L CA -0.407 54.484 54.840 0.086 0.000 0.819 579 L CB 2.613 44.718 42.059 0.077 0.000 1.311 579 L HN -0.149 nan 8.230 nan 0.000 0.423 580 E N 0.469 120.786 120.200 0.195 0.000 2.372 580 E HA 0.085 4.436 4.350 0.001 0.000 0.201 580 E C -0.121 176.560 176.600 0.136 0.000 0.938 580 E CA 0.132 56.661 56.400 0.215 0.000 0.944 580 E CB 1.163 30.947 29.700 0.140 0.000 0.937 580 E HN 0.499 nan 8.360 nan 0.000 0.495 581 Q N 0.578 120.445 119.800 0.111 0.000 2.377 581 Q HA 0.469 4.809 4.340 0.001 0.000 0.279 581 Q C -2.099 173.954 176.000 0.089 0.000 1.049 581 Q CA -0.601 55.257 55.803 0.092 0.000 0.825 581 Q CB 2.784 31.560 28.738 0.062 0.000 1.401 581 Q HN -0.003 nan 8.270 nan 0.000 0.404 582 V N 2.895 122.865 119.914 0.093 0.000 2.709 582 V HA 0.650 4.770 4.120 0.001 0.000 0.308 582 V C -1.331 174.800 176.094 0.063 0.000 1.062 582 V CA -0.457 61.890 62.300 0.078 0.000 0.901 582 V CB 1.738 33.612 31.823 0.085 0.000 1.003 582 V HN 1.029 nan 8.190 nan 0.000 0.425 583 C N 6.646 125.965 119.300 0.032 0.000 2.295 583 C HA 0.447 4.908 4.460 0.001 0.000 0.331 583 C C 1.519 176.489 174.990 -0.034 0.000 1.280 583 C CA -0.561 58.452 59.018 -0.007 0.000 1.746 583 C CB 0.451 28.189 27.740 -0.003 0.000 2.328 583 C HN 0.927 nan 8.230 nan 0.000 0.521 584 L N 1.636 122.768 121.223 -0.152 0.000 2.509 584 L HA 0.070 4.410 4.340 0.001 0.000 0.222 584 L C 0.638 177.456 176.870 -0.086 0.000 1.123 584 L CA 1.194 55.901 54.840 -0.221 0.000 0.856 584 L CB -0.178 41.660 42.059 -0.369 0.000 0.985 584 L HN 0.828 nan 8.230 nan 0.000 0.456 585 Y N -1.861 118.517 120.300 0.131 0.000 2.707 585 Y HA 0.266 4.817 4.550 0.001 0.000 0.249 585 Y C 0.652 176.587 175.900 0.058 0.000 1.166 585 Y CA -0.526 57.648 58.100 0.123 0.000 1.184 585 Y CB 1.166 39.700 38.460 0.123 0.000 1.240 585 Y HN -0.111 nan 8.280 nan 0.000 0.547 586 T N 0.042 114.682 114.554 0.144 0.000 2.896 586 T HA 0.337 4.687 4.350 0.001 0.000 0.297 586 T C -0.297 174.428 174.700 0.042 0.000 1.108 586 T CA -0.432 61.710 62.100 0.070 0.000 1.004 586 T CB 1.854 70.752 68.868 0.049 0.000 1.159 586 T HN 0.141 nan 8.240 nan 0.000 0.499 587 L N 2.761 123.986 121.223 0.003 0.000 2.515 587 L HA 0.436 4.777 4.340 0.001 0.000 0.223 587 L C 1.461 178.324 176.870 -0.011 0.000 1.079 587 L CA 0.929 55.762 54.840 -0.011 0.000 0.857 587 L CB -0.059 41.964 42.059 -0.061 0.000 1.050 587 L HN 0.571 nan 8.230 nan 0.000 0.476 588 M N -0.929 118.665 119.600 -0.009 0.000 2.461 588 M HA 0.295 4.776 4.480 0.001 0.000 0.255 588 M C 0.181 176.488 176.300 0.010 0.000 1.137 588 M CA 0.363 55.657 55.300 -0.009 0.000 1.086 588 M CB -0.270 32.319 32.600 -0.018 0.000 1.356 588 M HN 0.172 nan 8.290 nan 0.000 0.487 589 E N 1.278 121.488 120.200 0.017 0.000 2.263 589 E HA 0.229 4.580 4.350 0.001 0.000 0.268 589 E C -0.626 175.992 176.600 0.030 0.000 0.884 589 E CA -0.264 56.149 56.400 0.022 0.000 0.766 589 E CB 0.938 30.646 29.700 0.014 0.000 1.196 589 E HN 0.137 nan 8.360 nan 0.000 0.416 590 N N 3.091 121.814 118.700 0.038 0.000 2.699 590 N HA -0.132 4.609 4.740 0.001 0.000 0.256 590 N C -2.478 173.064 175.510 0.053 0.000 0.993 590 N CA 0.688 53.767 53.050 0.047 0.000 0.759 590 N CB -0.955 37.559 38.487 0.044 0.000 0.906 590 N HN 0.448 nan 8.380 nan 0.000 0.541 591 P HA -0.024 nan 4.420 nan 0.000 0.272 591 P C 0.768 178.114 177.300 0.077 0.000 1.240 591 P CA -0.289 62.848 63.100 0.062 0.000 0.791 591 P CB 0.770 32.508 31.700 0.064 0.000 0.978 592 M N 1.196 120.843 119.600 0.078 0.000 2.250 592 M HA 0.082 4.562 4.480 0.001 0.000 0.325 592 M C 0.742 177.125 176.300 0.138 0.000 1.084 592 M CA 0.491 55.852 55.300 0.102 0.000 1.161 592 M CB 0.437 33.090 32.600 0.088 0.000 1.481 592 M HN 0.476 nan 8.290 nan 0.000 0.449 593 T N 0.639 115.309 114.554 0.194 0.000 2.880 593 T HA 0.657 5.007 4.350 0.001 0.000 0.279 593 T C -0.329 174.555 174.700 0.307 0.000 0.990 593 T CA -0.930 61.305 62.100 0.226 0.000 0.938 593 T CB 1.367 70.388 68.868 0.254 0.000 1.206 593 T HN 0.660 nan 8.240 nan 0.000 0.573 594 S N -1.091 114.722 115.700 0.187 0.000 2.595 594 S HA 0.477 4.948 4.470 0.001 0.000 0.281 594 S C 1.018 175.472 174.600 -0.243 0.000 1.117 594 S CA -0.652 57.548 58.200 0.001 0.000 0.873 594 S CB 1.282 64.653 63.200 0.285 0.000 1.108 594 S HN 1.096 nan 8.310 nan 0.000 0.477 595 C N -0.043 118.963 119.300 -0.490 0.000 2.823 595 C HA 0.738 5.199 4.460 0.001 0.000 0.284 595 C C 1.693 176.708 174.990 0.042 0.000 1.358 595 C CA 0.737 59.643 59.018 -0.187 0.000 1.697 595 C CB -1.421 26.209 27.740 -0.182 0.000 2.137 595 C HN 1.080 nan 8.230 nan 0.000 0.564 596 G N -0.860 107.842 108.800 -0.163 0.000 4.362 596 G HA2 -0.014 3.947 3.960 0.001 0.000 0.220 596 G HA3 -0.014 3.947 3.960 0.001 0.000 0.220 596 G C 0.441 174.862 174.900 -0.798 0.000 0.795 596 G CA 0.578 45.320 45.100 -0.596 0.000 0.920 596 G HN 1.051 nan 8.290 nan 0.000 0.715 597 C N 0.953 119.949 119.300 -0.505 0.000 2.780 597 C HA 0.672 5.133 4.460 0.001 0.000 0.287 597 C C 1.239 176.044 174.990 -0.309 0.000 1.288 597 C CA -1.598 57.236 59.018 -0.308 0.000 1.713 597 C CB -2.573 25.076 27.740 -0.151 0.000 1.955 597 C HN 0.424 nan 8.230 nan 0.000 0.613 598 F N 1.433 121.464 119.950 0.136 0.000 2.629 598 F HA 0.240 4.768 4.527 0.001 0.000 0.369 598 F C 1.256 177.160 175.800 0.174 0.000 1.125 598 F CA -0.286 57.802 58.000 0.146 0.000 1.330 598 F CB -0.002 39.089 39.000 0.152 0.000 1.071 598 F HN 0.201 nan 8.300 nan 0.000 0.595 599 E N 1.146 121.526 120.200 0.300 0.000 2.216 599 E HA 0.264 4.615 4.350 0.001 0.000 0.192 599 E C 0.455 177.190 176.600 0.224 0.000 0.988 599 E CA 0.823 57.316 56.400 0.154 0.000 0.834 599 E CB 0.174 29.905 29.700 0.052 0.000 0.772 599 E HN 0.738 nan 8.360 nan 0.000 0.479 600 A N 0.544 123.585 122.820 0.369 0.000 2.593 600 A HA 0.723 5.044 4.320 0.001 0.000 0.290 600 A C -1.484 176.291 177.584 0.319 0.000 1.126 600 A CA -0.673 51.567 52.037 0.339 0.000 0.695 600 A CB 1.412 20.541 19.000 0.216 0.000 1.290 600 A HN 0.065 nan 8.150 nan 0.000 0.414 601 I N 0.514 121.233 120.570 0.247 0.000 2.610 601 I HA 0.313 4.483 4.170 0.001 0.000 0.289 601 I C -0.751 175.450 176.117 0.140 0.000 1.163 601 I CA -0.197 61.157 61.300 0.089 0.000 1.044 601 I CB 2.179 40.137 38.000 -0.071 0.000 1.251 601 I HN 0.641 nan 8.210 nan 0.000 0.424 602 M N 4.902 124.579 119.600 0.127 0.000 2.277 602 M HA 0.741 5.221 4.480 0.001 0.000 0.350 602 M C -0.184 176.141 176.300 0.041 0.000 1.180 602 M CA -0.325 55.047 55.300 0.120 0.000 1.103 602 M CB 1.810 34.483 32.600 0.122 0.000 1.577 602 M HN 0.686 nan 8.290 nan 0.000 0.459 603 A N 3.053 125.861 122.820 -0.019 0.000 2.427 603 A HA 0.733 5.054 4.320 0.001 0.000 0.298 603 A C -0.640 176.763 177.584 -0.302 0.000 1.036 603 A CA -0.910 51.005 52.037 -0.205 0.000 0.701 603 A CB 0.721 19.766 19.000 0.075 0.000 1.250 603 A HN 0.858 nan 8.150 nan 0.000 0.412 604 I N 0.222 120.442 120.570 -0.583 0.000 2.813 604 I HA 0.278 4.448 4.170 0.001 0.000 0.287 604 I C -0.148 175.841 176.117 -0.214 0.000 1.196 604 I CA 0.378 61.469 61.300 -0.348 0.000 1.421 604 I CB 0.103 37.883 38.000 -0.368 0.000 1.365 604 I HN 0.447 nan 8.210 nan 0.000 0.591 605 L N 6.374 127.530 121.223 -0.112 0.000 2.502 605 L HA 0.310 4.651 4.340 0.001 0.000 0.247 605 L C -1.692 175.150 176.870 -0.047 0.000 1.180 605 L CA -1.307 53.493 54.840 -0.066 0.000 0.956 605 L CB 0.961 42.992 42.059 -0.047 0.000 1.282 605 L HN 0.460 nan 8.230 nan 0.000 0.470 606 P HA -0.269 nan 4.420 nan 0.000 0.217 606 P C 1.282 178.574 177.300 -0.015 0.000 1.158 606 P CA 1.414 64.498 63.100 -0.028 0.000 0.887 606 P CB 0.356 32.044 31.700 -0.019 0.000 0.792 607 E N -1.773 118.419 120.200 -0.013 0.000 2.409 607 E HA -0.132 4.218 4.350 0.001 0.000 0.198 607 E C 0.585 177.184 176.600 -0.001 0.000 1.024 607 E CA 0.625 57.022 56.400 -0.005 0.000 0.861 607 E CB -0.162 29.534 29.700 -0.005 0.000 0.788 607 E HN 0.229 nan 8.360 nan 0.000 0.521 608 C N 0.285 119.581 119.300 -0.006 0.000 3.038 608 C HA 0.220 4.680 4.460 0.001 0.000 0.279 608 C C 0.763 175.754 174.990 0.001 0.000 1.276 608 C CA -0.359 58.656 59.018 -0.005 0.000 1.697 608 C CB -1.283 26.447 27.740 -0.017 0.000 2.032 608 C HN 0.531 nan 8.230 nan 0.000 0.636 609 N N 0.467 119.170 118.700 0.004 0.000 2.696 609 N HA -0.137 4.603 4.740 0.001 0.000 0.249 609 N C 0.019 175.542 175.510 0.022 0.000 1.090 609 N CA 1.134 54.192 53.050 0.013 0.000 0.716 609 N CB -0.852 37.651 38.487 0.027 0.000 1.020 609 N HN 0.727 nan 8.380 nan 0.000 0.548 610 G N -1.326 107.480 108.800 0.009 0.000 2.846 610 G HA2 0.664 4.625 3.960 0.001 0.000 0.299 610 G HA3 0.664 4.625 3.960 0.001 0.000 0.299 610 G C -0.838 174.067 174.900 0.007 0.000 1.242 610 G CA -0.337 44.781 45.100 0.030 0.000 0.800 610 G HN 0.562 nan 8.290 nan 0.000 0.538 611 I N -1.868 118.731 120.570 0.049 0.000 2.785 611 I HA 0.823 4.993 4.170 0.001 0.000 0.302 611 I C -0.175 176.009 176.117 0.112 0.000 1.069 611 I CA -1.373 59.955 61.300 0.047 0.000 1.045 611 I CB 2.328 40.364 38.000 0.061 0.000 1.236 611 I HN 0.716 nan 8.210 nan 0.000 0.429 612 M N 3.885 123.550 119.600 0.108 0.000 2.598 612 M HA 0.731 5.212 4.480 0.001 0.000 0.317 612 M C -1.258 175.180 176.300 0.231 0.000 1.201 612 M CA -0.484 54.946 55.300 0.216 0.000 0.971 612 M CB 2.079 34.759 32.600 0.133 0.000 1.657 612 M HN 0.516 nan 8.290 nan 0.000 0.470 613 I N 0.274 121.028 120.570 0.308 0.000 2.545 613 I HA 0.593 4.764 4.170 0.001 0.000 0.292 613 I C -0.455 175.852 176.117 0.316 0.000 1.040 613 I CA -0.618 60.836 61.300 0.257 0.000 1.068 613 I CB 2.354 40.470 38.000 0.194 0.000 1.251 613 I HN 0.867 nan 8.210 nan 0.000 0.424 614 T N 2.707 117.436 114.554 0.292 0.000 2.888 614 T HA 0.747 5.097 4.350 0.001 0.000 0.288 614 T C -0.610 174.266 174.700 0.294 0.000 1.063 614 T CA -0.300 61.995 62.100 0.325 0.000 1.010 614 T CB 1.913 71.031 68.868 0.417 0.000 1.214 614 T HN 0.831 nan 8.240 nan 0.000 0.533 615 T N -0.636 114.047 114.554 0.215 0.000 2.901 615 T HA 0.466 4.816 4.350 0.001 0.000 0.293 615 T C 0.989 175.416 174.700 -0.454 0.000 1.084 615 T CA -0.875 61.227 62.100 0.003 0.000 1.008 615 T CB 1.717 70.535 68.868 -0.082 0.000 1.170 615 T HN 0.619 nan 8.240 nan 0.000 0.509 616 R N 0.038 120.024 120.500 -0.856 0.000 2.096 616 R HA -0.101 4.239 4.340 0.001 0.000 0.235 616 R C 0.926 176.805 176.300 -0.701 0.000 1.127 616 R CA 1.933 57.163 56.100 -1.450 0.000 0.968 616 R CB -0.421 29.389 30.300 -0.816 0.000 0.861 616 R HN 0.664 nan 8.270 nan 0.000 0.440 617 D N -0.939 119.236 120.400 -0.376 0.000 2.347 617 D HA -0.083 4.558 4.640 0.001 0.000 0.215 617 D C -0.142 176.107 176.300 -0.085 0.000 0.976 617 D CA 0.796 54.676 54.000 -0.199 0.000 0.884 617 D CB -0.125 40.588 40.800 -0.145 0.000 0.915 617 D HN 0.293 nan 8.370 nan 0.000 0.526 618 H N -0.013 118.967 119.070 -0.150 0.000 2.705 618 H HA 0.472 5.029 4.556 0.001 0.000 0.291 618 H C 0.780 176.126 175.328 0.030 0.000 1.085 618 H CA -0.417 55.616 56.048 -0.026 0.000 1.357 618 H CB 1.169 30.955 29.762 0.039 0.000 1.419 618 H HN -0.111 nan 8.280 nan 0.000 0.462 619 A N 3.909 126.532 122.820 -0.329 0.000 2.021 619 A HA 0.179 4.500 4.320 0.001 0.000 0.216 619 A C 1.592 179.058 177.584 -0.196 0.000 1.163 619 A CA 0.529 52.461 52.037 -0.176 0.000 0.676 619 A CB -0.520 18.414 19.000 -0.110 0.000 0.818 619 A HN 0.784 nan 8.150 nan 0.000 0.453 620 G N -0.629 107.887 108.800 -0.473 0.000 2.614 620 G HA2 0.341 4.302 3.960 0.001 0.000 0.239 620 G HA3 0.341 4.302 3.960 0.001 0.000 0.239 620 G C 0.144 175.070 174.900 0.042 0.000 1.240 620 G CA -0.047 44.952 45.100 -0.168 0.000 0.842 620 G HN 0.345 nan 8.290 nan 0.000 0.584 621 M N 1.064 120.684 119.600 0.033 0.000 2.252 621 M HA 0.352 4.832 4.480 0.001 0.000 0.321 621 M C 0.837 177.093 176.300 -0.075 0.000 1.070 621 M CA 0.079 55.371 55.300 -0.014 0.000 1.143 621 M CB 0.508 33.085 32.600 -0.038 0.000 1.498 621 M HN 0.740 nan 8.290 nan 0.000 0.445 622 T N 1.558 115.970 114.554 -0.236 0.000 2.916 622 T HA 0.679 5.030 4.350 0.001 0.000 0.292 622 T C -2.436 171.939 174.700 -0.541 0.000 1.064 622 T CA -1.669 60.054 62.100 -0.628 0.000 1.011 622 T CB 1.521 70.075 68.868 -0.523 0.000 1.152 622 T HN 0.532 nan 8.240 nan 0.000 0.510 623 P HA -0.041 nan 4.420 nan 0.000 0.225 623 P C 1.621 178.776 177.300 -0.243 0.000 1.148 623 P CA 0.918 63.760 63.100 -0.429 0.000 0.779 623 P CB -0.097 31.333 31.700 -0.450 0.000 0.780 624 S N -1.526 114.048 115.700 -0.210 0.000 2.507 624 S HA 0.060 4.531 4.470 0.001 0.000 0.235 624 S C 1.780 176.337 174.600 -0.072 0.000 0.988 624 S CA 0.946 59.099 58.200 -0.078 0.000 0.944 624 S CB -1.408 61.802 63.200 0.016 0.000 0.762 624 S HN 0.288 nan 8.310 nan 0.000 0.526 625 G N 0.249 108.979 108.800 -0.117 0.000 2.176 625 G HA2 -0.212 3.748 3.960 0.001 0.000 0.232 625 G HA3 -0.212 3.748 3.960 0.001 0.000 0.232 625 G C -0.126 174.716 174.900 -0.097 0.000 0.986 625 G CA 0.231 45.273 45.100 -0.097 0.000 0.643 625 G HN 0.531 nan 8.290 nan 0.000 0.522 626 M N 1.627 121.166 119.600 -0.102 0.000 2.395 626 M HA 0.478 4.959 4.480 0.001 0.000 0.307 626 M C 0.875 177.129 176.300 -0.076 0.000 1.091 626 M CA -0.301 54.938 55.300 -0.102 0.000 0.919 626 M CB 2.170 34.700 32.600 -0.117 0.000 1.662 626 M HN 0.354 nan 8.290 nan 0.000 0.440 627 T N -0.946 113.573 114.554 -0.058 0.000 2.701 627 T HA 0.112 4.463 4.350 0.001 0.000 0.303 627 T C 0.847 175.577 174.700 0.051 0.000 1.030 627 T CA -0.213 61.898 62.100 0.018 0.000 1.010 627 T CB 0.473 69.352 68.868 0.017 0.000 1.007 627 T HN 0.600 nan 8.240 nan 0.000 0.532 628 F N 1.101 121.067 119.950 0.028 0.000 2.091 628 F HA -0.118 4.409 4.527 0.001 0.000 0.299 628 F C 2.607 178.416 175.800 0.015 0.000 1.103 628 F CA 2.219 60.248 58.000 0.049 0.000 1.228 628 F CB -0.871 38.184 39.000 0.092 0.000 0.984 628 F HN 0.583 nan 8.300 nan 0.000 0.477 629 S N -0.313 115.426 115.700 0.065 0.000 2.368 629 S HA -0.189 4.281 4.470 0.001 0.000 0.225 629 S C 1.928 176.387 174.600 -0.235 0.000 1.030 629 S CA 1.767 59.929 58.200 -0.064 0.000 0.999 629 S CB -0.711 62.516 63.200 0.044 0.000 0.844 629 S HN 0.520 nan 8.310 nan 0.000 0.459 630 T N 2.638 117.062 114.554 -0.217 0.000 2.708 630 T HA -0.002 4.349 4.350 0.001 0.000 0.266 630 T C 1.691 176.218 174.700 -0.289 0.000 1.037 630 T CA 0.810 62.747 62.100 -0.272 0.000 1.146 630 T CB -0.328 68.402 68.868 -0.230 0.000 0.865 630 T HN 0.091 nan 8.240 nan 0.000 0.435 631 L N 1.347 122.405 121.223 -0.276 0.000 2.046 631 L HA 0.078 4.418 4.340 0.001 0.000 0.208 631 L C 2.826 179.471 176.870 -0.375 0.000 1.077 631 L CA 1.564 56.227 54.840 -0.295 0.000 0.747 631 L CB -1.615 40.307 42.059 -0.229 0.000 0.896 631 L HN 0.257 nan 8.230 nan 0.000 0.432 632 A N -0.575 121.951 122.820 -0.489 0.000 1.917 632 A HA -0.172 4.148 4.320 0.001 0.000 0.219 632 A C 2.382 179.880 177.584 -0.144 0.000 1.182 632 A CA 1.783 53.607 52.037 -0.355 0.000 0.633 632 A CB -1.271 17.506 19.000 -0.371 0.000 0.819 632 A HN 0.461 nan 8.150 nan 0.000 0.448 633 G N -1.040 107.629 108.800 -0.218 0.000 2.443 633 G HA2 -0.183 3.777 3.960 0.001 0.000 0.219 633 G HA3 -0.183 3.777 3.960 0.001 0.000 0.219 633 G C 1.563 176.370 174.900 -0.155 0.000 1.131 633 G CA 1.121 46.105 45.100 -0.194 0.000 0.775 633 G HN 0.550 nan 8.290 nan 0.000 0.547 634 M N 0.548 120.019 119.600 -0.214 0.000 2.388 634 M HA 0.176 4.657 4.480 0.001 0.000 0.265 634 M C 2.152 178.345 176.300 -0.180 0.000 1.088 634 M CA 1.097 56.264 55.300 -0.221 0.000 1.134 634 M CB 0.046 32.449 32.600 -0.328 0.000 1.384 634 M HN 0.323 nan 8.290 nan 0.000 0.447 635 I N -2.464 118.000 120.570 -0.175 0.000 4.035 635 I HA 0.459 4.629 4.170 0.001 0.000 0.321 635 I C 1.033 177.137 176.117 -0.022 0.000 1.289 635 I CA -0.212 61.005 61.300 -0.140 0.000 1.236 635 I CB -0.419 37.436 38.000 -0.242 0.000 1.076 635 I HN 0.047 nan 8.210 nan 0.000 0.418 636 G N 0.169 109.009 108.800 0.065 0.000 2.537 636 G HA2 0.434 4.395 3.960 0.001 0.000 0.297 636 G HA3 0.434 4.395 3.960 0.001 0.000 0.297 636 G C 0.817 175.777 174.900 0.100 0.000 1.310 636 G CA -0.292 44.926 45.100 0.197 0.000 1.027 636 G HN 0.785 nan 8.290 nan 0.000 0.505 637 G N -2.243 106.616 108.800 0.098 0.000 2.143 637 G HA2 0.227 4.188 3.960 0.001 0.000 0.248 637 G HA3 0.227 4.188 3.960 0.001 0.000 0.248 637 G C 1.420 176.391 174.900 0.118 0.000 0.991 637 G CA 1.061 46.217 45.100 0.094 0.000 0.689 637 G HN 2.553 nan 8.290 nan 0.000 0.522 638 G N -1.699 107.187 108.800 0.143 0.000 2.143 638 G HA2 0.076 4.037 3.960 0.001 0.000 0.248 638 G HA3 0.076 4.037 3.960 0.001 0.000 0.248 638 G C 0.528 175.511 174.900 0.139 0.000 0.991 638 G CA 1.307 46.520 45.100 0.188 0.000 0.689 638 G HN 2.350 nan 8.290 nan 0.000 0.522 639 T N -1.845 112.769 114.554 0.100 0.000 2.882 639 T HA 0.635 4.986 4.350 0.001 0.000 0.287 639 T C 0.041 174.787 174.700 0.077 0.000 0.992 639 T CA -0.440 61.706 62.100 0.076 0.000 1.076 639 T CB 2.400 71.296 68.868 0.047 0.000 0.961 639 T HN 0.346 nan 8.240 nan 0.000 0.490 640 Q N 1.723 121.569 119.800 0.077 0.000 2.304 640 Q HA 0.383 4.723 4.340 0.001 0.000 0.260 640 Q C -0.230 175.812 176.000 0.070 0.000 0.965 640 Q CA -0.174 55.677 55.803 0.079 0.000 0.898 640 Q CB 0.530 29.314 28.738 0.076 0.000 1.196 640 Q HN 0.914 nan 8.270 nan 0.000 0.402 641 T N 1.864 116.470 114.554 0.086 0.000 3.226 641 T HA 0.405 4.755 4.350 0.001 0.000 0.378 641 T C -2.626 172.185 174.700 0.184 0.000 1.380 641 T CA -2.038 60.128 62.100 0.110 0.000 1.396 641 T CB 0.838 69.752 68.868 0.076 0.000 1.044 641 T HN 0.348 nan 8.240 nan 0.000 0.586 642 P HA 0.275 nan 4.420 nan 0.000 0.260 642 P C 1.273 178.657 177.300 0.139 0.000 1.172 642 P CA 1.379 64.546 63.100 0.112 0.000 0.760 642 P CB 0.132 31.880 31.700 0.080 0.000 0.773 643 G N 1.506 110.289 108.800 -0.028 0.000 2.176 643 G HA2 -0.197 3.764 3.960 0.001 0.000 0.232 643 G HA3 -0.197 3.764 3.960 0.001 0.000 0.232 643 G C -0.236 174.219 174.900 -0.742 0.000 0.986 643 G CA -0.590 44.283 45.100 -0.378 0.000 0.643 643 G HN 0.421 nan 8.290 nan 0.000 0.522 644 F N -0.560 119.376 119.950 -0.023 0.000 2.651 644 F HA 0.761 5.288 4.527 0.001 0.000 0.329 644 F C -0.107 175.659 175.800 -0.056 0.000 1.186 644 F CA -0.742 57.228 58.000 -0.050 0.000 1.046 644 F CB 1.931 40.882 39.000 -0.081 0.000 1.296 644 F HN 0.152 nan 8.300 nan 0.000 0.497 645 M N 1.710 121.355 119.600 0.076 0.000 2.470 645 M HA 0.773 5.254 4.480 0.001 0.000 0.285 645 M C -0.879 175.403 176.300 -0.031 0.000 1.213 645 M CA -0.431 54.890 55.300 0.036 0.000 0.901 645 M CB 2.503 35.152 32.600 0.080 0.000 1.718 645 M HN 0.729 nan 8.290 nan 0.000 0.469 646 G N 3.728 112.475 108.800 -0.089 0.000 2.377 646 G HA2 0.698 4.659 3.960 0.001 0.000 0.299 646 G HA3 0.698 4.659 3.960 0.001 0.000 0.299 646 G C -1.067 173.947 174.900 0.189 0.000 1.150 646 G CA -0.657 44.401 45.100 -0.071 0.000 0.847 646 G HN 0.927 nan 8.290 nan 0.000 0.501 647 I N -0.760 119.973 120.570 0.272 0.000 2.913 647 I HA 0.789 4.959 4.170 0.001 0.000 0.302 647 I C 0.272 176.567 176.117 0.296 0.000 1.246 647 I CA -1.396 60.083 61.300 0.298 0.000 1.010 647 I CB 2.113 40.374 38.000 0.435 0.000 1.259 647 I HN 0.637 nan 8.210 nan 0.000 0.434 648 G N 2.542 111.498 108.800 0.261 0.000 2.467 648 G HA2 0.332 4.293 3.960 0.001 0.000 0.257 648 G HA3 0.332 4.293 3.960 0.001 0.000 0.257 648 G C 0.333 175.386 174.900 0.255 0.000 1.227 648 G CA -0.656 44.578 45.100 0.223 0.000 0.835 648 G HN 0.849 nan 8.290 nan 0.000 0.556 649 R N 0.285 120.897 120.500 0.186 0.000 2.105 649 R HA -0.111 4.229 4.340 0.001 0.000 0.239 649 R C 2.764 179.199 176.300 0.225 0.000 1.135 649 R CA 1.970 58.179 56.100 0.183 0.000 0.967 649 R CB -0.381 29.976 30.300 0.095 0.000 0.861 649 R HN 0.568 nan 8.270 nan 0.000 0.442 650 T N 0.257 114.962 114.554 0.252 0.000 2.759 650 T HA -0.214 4.136 4.350 0.001 0.000 0.269 650 T C 1.336 176.146 174.700 0.183 0.000 1.042 650 T CA 1.284 63.507 62.100 0.204 0.000 1.140 650 T CB -0.416 68.564 68.868 0.187 0.000 0.864 650 T HN 0.316 nan 8.240 nan 0.000 0.455 651 Y N 1.789 122.170 120.300 0.135 0.000 2.365 651 Y HA -0.124 4.427 4.550 0.001 0.000 0.287 651 Y C 1.743 177.715 175.900 0.121 0.000 1.162 651 Y CA 0.293 58.501 58.100 0.180 0.000 1.260 651 Y CB -0.788 37.825 38.460 0.256 0.000 0.976 651 Y HN 0.268 nan 8.280 nan 0.000 0.548 652 I N -0.421 120.009 120.570 -0.233 0.000 2.493 652 I HA -0.207 3.964 4.170 0.001 0.000 0.254 652 I C 1.795 177.543 176.117 -0.615 0.000 1.160 652 I CA 1.361 62.141 61.300 -0.866 0.000 1.445 652 I CB -0.262 37.474 38.000 -0.441 0.000 1.086 652 I HN 0.229 nan 8.210 nan 0.000 0.433 653 V N -3.135 116.640 119.914 -0.232 0.000 3.483 653 V HA 0.232 4.353 4.120 0.001 0.000 0.301 653 V C 0.808 176.841 176.094 -0.102 0.000 1.389 653 V CA -0.446 61.765 62.300 -0.148 0.000 1.101 653 V CB -0.427 31.367 31.823 -0.048 0.000 0.971 653 V HN 0.247 nan 8.190 nan 0.000 0.434 654 S N 0.620 116.276 115.700 -0.074 0.000 2.580 654 S HA 0.307 4.778 4.470 0.001 0.000 0.274 654 S C 1.069 175.657 174.600 -0.021 0.000 1.329 654 S CA -0.158 58.043 58.200 0.002 0.000 1.036 654 S CB 1.494 64.777 63.200 0.138 0.000 0.919 654 S HN 0.504 nan 8.310 nan 0.000 0.515 655 K N 2.245 122.634 120.400 -0.019 0.000 2.152 655 K HA 0.009 4.330 4.320 0.001 0.000 0.206 655 K C 1.526 178.102 176.600 -0.041 0.000 1.048 655 K CA 1.131 57.394 56.287 -0.041 0.000 0.933 655 K CB 0.019 32.487 32.500 -0.052 0.000 0.721 655 K HN 0.434 nan 8.250 nan 0.000 0.447 656 K N 0.452 120.843 120.400 -0.016 0.000 2.525 656 K HA 0.001 4.322 4.320 0.001 0.000 0.192 656 K C -0.003 176.655 176.600 0.096 0.000 1.029 656 K CA -0.039 56.223 56.287 -0.041 0.000 1.029 656 K CB -0.385 32.105 32.500 -0.017 0.000 0.814 656 K HN 0.150 nan 8.250 nan 0.000 0.503 657 F N 3.280 123.096 119.950 -0.223 0.000 2.506 657 F HA -0.101 4.426 4.527 0.001 0.000 0.387 657 F C 1.045 176.762 175.800 -0.138 0.000 1.053 657 F CA -0.225 57.468 58.000 -0.512 0.000 1.083 657 F CB -0.519 38.179 39.000 -0.503 0.000 1.010 657 F HN 0.198 nan 8.300 nan 0.000 0.551 658 I N 3.361 123.687 120.570 -0.408 0.000 3.140 658 I HA -0.407 3.764 4.170 0.001 0.000 0.126 658 I C 1.141 177.193 176.117 -0.108 0.000 0.942 658 I CA 0.880 62.046 61.300 -0.224 0.000 2.770 658 I CB -1.962 35.783 38.000 -0.425 0.000 0.936 658 I HN 0.593 nan 8.210 nan 0.000 0.348 659 S N 1.932 117.624 115.700 -0.014 0.000 2.423 659 S HA 0.023 4.494 4.470 0.001 0.000 0.231 659 S C 1.985 176.584 174.600 -0.001 0.000 1.014 659 S CA 0.572 58.749 58.200 -0.039 0.000 0.965 659 S CB -0.099 63.033 63.200 -0.113 0.000 0.785 659 S HN 0.963 nan 8.310 nan 0.000 0.495 660 A N 1.548 124.407 122.820 0.065 0.000 2.168 660 A HA 0.008 4.328 4.320 0.001 0.000 0.215 660 A C 1.600 179.194 177.584 0.016 0.000 1.152 660 A CA 1.206 53.276 52.037 0.055 0.000 0.716 660 A CB -0.295 18.764 19.000 0.097 0.000 0.794 660 A HN 0.471 nan 8.150 nan 0.000 0.465 661 D N -1.932 118.464 120.400 -0.008 0.000 2.389 661 D HA 0.269 4.910 4.640 0.001 0.000 0.206 661 D C 1.292 177.580 176.300 -0.021 0.000 1.055 661 D CA 1.143 55.129 54.000 -0.023 0.000 0.856 661 D CB 0.675 41.445 40.800 -0.050 0.000 0.957 661 D HN 0.537 nan 8.370 nan 0.000 0.509 662 G N -0.076 108.711 108.800 -0.023 0.000 2.273 662 G HA2 -0.012 3.948 3.960 0.001 0.000 0.162 662 G HA3 -0.012 3.948 3.960 0.001 0.000 0.162 662 G C 0.907 175.806 174.900 -0.001 0.000 1.006 662 G CA 0.172 45.265 45.100 -0.011 0.000 0.704 662 G HN 0.624 nan 8.290 nan 0.000 0.487 663 G N 0.720 109.512 108.800 -0.013 0.000 2.578 663 G HA2 -0.195 3.765 3.960 0.001 0.000 0.284 663 G HA3 -0.195 3.765 3.960 0.001 0.000 0.284 663 G C 1.423 176.456 174.900 0.221 0.000 1.283 663 G CA 1.600 46.736 45.100 0.060 0.000 0.944 663 G HN 1.757 nan 8.290 nan 0.000 0.558 664 I N -1.609 119.142 120.570 0.301 0.000 2.530 664 I HA 0.119 4.289 4.170 0.001 0.000 0.257 664 I C 2.644 178.978 176.117 0.361 0.000 1.179 664 I CA 2.360 63.872 61.300 0.354 0.000 1.440 664 I CB -0.666 37.377 38.000 0.070 0.000 1.087 664 I HN 0.811 nan 8.210 nan 0.000 0.440 665 A N 1.569 124.447 122.820 0.097 0.000 2.125 665 A HA -0.052 4.269 4.320 0.001 0.000 0.219 665 A C 2.287 180.075 177.584 0.340 0.000 1.156 665 A CA 0.893 52.918 52.037 -0.020 0.000 0.671 665 A CB -0.483 18.415 19.000 -0.169 0.000 0.794 665 A HN 0.435 nan 8.150 nan 0.000 0.459 666 R N -0.286 120.404 120.500 0.316 0.000 2.275 666 R HA 0.155 4.495 4.340 0.001 0.000 0.199 666 R C 0.030 176.535 176.300 0.341 0.000 0.989 666 R CA 0.117 56.390 56.100 0.289 0.000 1.016 666 R CB -0.413 29.978 30.300 0.151 0.000 0.918 666 R HN 0.521 nan 8.270 nan 0.000 0.473 667 I N 2.760 123.617 120.570 0.478 0.000 2.576 667 I HA -0.078 4.092 4.170 0.001 0.000 0.288 667 I C 1.724 178.032 176.117 0.318 0.000 1.126 667 I CA 0.016 61.551 61.300 0.391 0.000 1.362 667 I CB 0.803 39.056 38.000 0.422 0.000 1.419 667 I HN -0.134 nan 8.210 nan 0.000 0.533 668 V N 3.248 123.232 119.914 0.117 0.000 3.590 668 V HA 0.220 4.340 4.120 0.001 0.000 0.265 668 V C 0.017 176.187 176.094 0.126 0.000 1.239 668 V CA -0.046 62.221 62.300 -0.056 0.000 1.117 668 V CB -0.423 31.311 31.823 -0.149 0.000 0.818 668 V HN 0.813 nan 8.190 nan 0.000 0.451 669 W N -0.031 121.242 121.300 -0.044 0.000 3.827 669 W HA 0.724 5.385 4.660 0.001 0.000 0.307 669 W C -1.383 175.091 176.519 -0.075 0.000 1.204 669 W CA -0.642 56.661 57.345 -0.069 0.000 1.250 669 W CB 1.604 31.028 29.460 -0.061 0.000 1.281 669 W HN -0.051 nan 8.180 nan 0.000 0.494 670 M N 6.444 125.706 119.600 -0.563 0.000 2.531 670 M HA 0.395 4.876 4.480 0.001 0.000 0.286 670 M C -2.503 173.141 176.300 -1.093 0.000 1.232 670 M CA -1.847 53.127 55.300 -0.544 0.000 0.877 670 M CB 3.161 35.523 32.600 -0.396 0.000 1.726 670 M HN 0.051 nan 8.290 nan 0.000 0.463 671 P HA 0.134 nan 4.420 nan 0.000 0.275 671 P C -0.176 176.798 177.300 -0.542 0.000 1.228 671 P CA -0.254 62.304 63.100 -0.903 0.000 0.786 671 P CB 0.673 31.833 31.700 -0.900 0.000 0.927 672 K N 2.004 122.147 120.400 -0.430 0.000 2.127 672 K HA -0.204 4.117 4.320 0.001 0.000 0.208 672 K C 1.736 178.232 176.600 -0.173 0.000 1.047 672 K CA 2.379 58.507 56.287 -0.265 0.000 0.927 672 K CB -0.435 31.953 32.500 -0.186 0.000 0.716 672 K HN 0.566 nan 8.250 nan 0.000 0.450 673 S N 0.701 116.319 115.700 -0.137 0.000 2.419 673 S HA -0.147 4.323 4.470 0.001 0.000 0.233 673 S C 1.975 176.557 174.600 -0.030 0.000 1.016 673 S CA 0.824 58.991 58.200 -0.055 0.000 0.974 673 S CB -0.284 62.903 63.200 -0.022 0.000 0.786 673 S HN 0.376 nan 8.310 nan 0.000 0.492 674 L N 0.593 121.753 121.223 -0.104 0.000 2.127 674 L HA 0.070 4.411 4.340 0.001 0.000 0.203 674 L C 2.538 179.378 176.870 -0.049 0.000 1.080 674 L CA 1.110 55.916 54.840 -0.056 0.000 0.768 674 L CB -0.307 41.669 42.059 -0.137 0.000 0.924 674 L HN 0.309 nan 8.230 nan 0.000 0.444 675 K N -0.026 120.268 120.400 -0.177 0.000 2.020 675 K HA -0.226 4.095 4.320 0.001 0.000 0.212 675 K C 1.629 178.202 176.600 -0.046 0.000 1.050 675 K CA 1.959 58.121 56.287 -0.208 0.000 0.929 675 K CB -0.186 32.170 32.500 -0.238 0.000 0.714 675 K HN 0.331 nan 8.250 nan 0.000 0.443 676 D N 0.217 120.607 120.400 -0.017 0.000 2.117 676 D HA -0.158 4.482 4.640 0.001 0.000 0.197 676 D C 1.685 178.029 176.300 0.074 0.000 0.987 676 D CA 0.902 54.914 54.000 0.020 0.000 0.829 676 D CB -0.265 40.536 40.800 0.002 0.000 0.961 676 D HN 0.105 nan 8.370 nan 0.000 0.460 677 F N 0.960 120.890 119.950 -0.033 0.000 2.186 677 F HA -0.049 4.479 4.527 0.001 0.000 0.299 677 F C 1.952 177.756 175.800 0.007 0.000 1.090 677 F CA 1.064 59.056 58.000 -0.014 0.000 1.307 677 F CB -0.005 38.978 39.000 -0.028 0.000 1.019 677 F HN -0.125 nan 8.300 nan 0.000 0.489 678 L N -0.972 120.262 121.223 0.018 0.000 2.529 678 L HA -0.021 4.319 4.340 0.001 0.000 0.223 678 L C 2.145 179.026 176.870 0.018 0.000 1.113 678 L CA 0.502 55.329 54.840 -0.020 0.000 0.861 678 L CB -0.885 41.219 42.059 0.075 0.000 1.012 678 L HN 0.205 nan 8.230 nan 0.000 0.461 679 H N 1.035 120.071 119.070 -0.056 0.000 2.292 679 H HA -0.269 4.288 4.556 0.001 0.000 0.292 679 H C 1.760 177.113 175.328 0.040 0.000 1.100 679 H CA 2.538 58.580 56.048 -0.011 0.000 1.238 679 H CB 0.188 29.926 29.762 -0.041 0.000 1.355 679 H HN 0.218 nan 8.280 nan 0.000 0.484 680 D N -0.065 120.354 120.400 0.032 0.000 2.078 680 D HA -0.146 4.495 4.640 0.001 0.000 0.193 680 D C 2.206 178.469 176.300 -0.062 0.000 0.990 680 D CA 1.720 55.715 54.000 -0.008 0.000 0.827 680 D CB -0.309 40.507 40.800 0.025 0.000 0.975 680 D HN 0.690 nan 8.370 nan 0.000 0.451 681 E N -0.174 119.999 120.200 -0.044 0.000 2.274 681 E HA -0.147 4.203 4.350 0.001 0.000 0.194 681 E C 2.123 178.694 176.600 -0.048 0.000 0.996 681 E CA 0.251 56.620 56.400 -0.050 0.000 0.840 681 E CB -0.467 29.202 29.700 -0.052 0.000 0.772 681 E HN 0.328 nan 8.360 nan 0.000 0.491 682 F N 2.224 122.087 119.950 -0.145 0.000 2.113 682 F HA -0.184 4.344 4.527 0.001 0.000 0.297 682 F C 2.295 178.021 175.800 -0.123 0.000 1.103 682 F CA 1.047 58.969 58.000 -0.130 0.000 1.248 682 F CB -0.028 38.893 39.000 -0.132 0.000 0.999 682 F HN -0.226 nan 8.300 nan 0.000 0.475 683 V N 0.640 120.542 119.914 -0.021 0.000 2.287 683 V HA -0.331 3.790 4.120 0.001 0.000 0.248 683 V C 2.525 178.555 176.094 -0.106 0.000 1.053 683 V CA 2.282 64.532 62.300 -0.083 0.000 1.027 683 V CB -0.754 30.949 31.823 -0.199 0.000 0.646 683 V HN 0.276 nan 8.190 nan 0.000 0.447 684 R N -0.511 119.924 120.500 -0.109 0.000 2.105 684 R HA -0.145 4.196 4.340 0.001 0.000 0.239 684 R C 2.556 178.778 176.300 -0.130 0.000 1.135 684 R CA 1.316 57.356 56.100 -0.099 0.000 0.967 684 R CB -0.095 30.157 30.300 -0.079 0.000 0.861 684 R HN 0.385 nan 8.270 nan 0.000 0.442 685 R N -0.541 119.842 120.500 -0.195 0.000 2.119 685 R HA 0.036 4.376 4.340 0.001 0.000 0.222 685 R C 2.203 178.343 176.300 -0.266 0.000 1.088 685 R CA 1.186 57.140 56.100 -0.243 0.000 0.984 685 R CB -0.182 29.927 30.300 -0.319 0.000 0.884 685 R HN 0.200 nan 8.270 nan 0.000 0.447 686 S N 0.863 116.390 115.700 -0.289 0.000 2.368 686 S HA -0.096 4.375 4.470 0.001 0.000 0.225 686 S C 2.242 176.750 174.600 -0.154 0.000 1.030 686 S CA 1.317 59.392 58.200 -0.208 0.000 0.999 686 S CB -0.408 62.775 63.200 -0.027 0.000 0.844 686 S HN 0.015 nan 8.310 nan 0.000 0.459 687 V N 2.061 121.906 119.914 -0.114 0.000 2.261 687 V HA -0.222 3.899 4.120 0.001 0.000 0.246 687 V C 2.436 178.469 176.094 -0.101 0.000 1.047 687 V CA 1.907 64.152 62.300 -0.090 0.000 1.015 687 V CB -0.877 30.906 31.823 -0.067 0.000 0.642 687 V HN 0.438 nan 8.190 nan 0.000 0.446 688 E N -0.130 120.006 120.200 -0.107 0.000 2.136 688 E HA -0.258 4.092 4.350 0.001 0.000 0.202 688 E C 2.047 178.581 176.600 -0.111 0.000 1.019 688 E CA 1.657 57.996 56.400 -0.101 0.000 0.819 688 E CB -0.103 29.536 29.700 -0.102 0.000 0.739 688 E HN 0.576 nan 8.360 nan 0.000 0.458 689 E N -1.083 119.031 120.200 -0.144 0.000 2.489 689 E HA 0.048 4.398 4.350 0.001 0.000 0.193 689 E C 0.923 177.427 176.600 -0.159 0.000 1.057 689 E CA 0.668 56.974 56.400 -0.157 0.000 0.866 689 E CB 0.838 30.415 29.700 -0.204 0.000 0.916 689 E HN 0.373 nan 8.360 nan 0.000 0.500 690 G N 1.665 110.381 108.800 -0.140 0.000 2.182 690 G HA2 -0.271 3.690 3.960 0.001 0.000 0.248 690 G HA3 -0.271 3.690 3.960 0.001 0.000 0.248 690 G C 0.726 175.538 174.900 -0.147 0.000 1.042 690 G CA 0.438 45.466 45.100 -0.121 0.000 0.775 690 G HN 0.335 nan 8.290 nan 0.000 0.501 691 L N -0.051 121.058 121.223 -0.190 0.000 2.554 691 L HA 0.476 4.816 4.340 0.001 0.000 0.225 691 L C 1.524 178.333 176.870 -0.101 0.000 1.104 691 L CA 0.464 55.153 54.840 -0.252 0.000 0.866 691 L CB -0.008 41.727 42.059 -0.539 0.000 1.047 691 L HN 1.197 nan 8.230 nan 0.000 0.468 692 G N 1.008 109.773 108.800 -0.058 0.000 2.879 692 G HA2 -0.186 3.774 3.960 0.001 0.000 0.686 692 G HA3 -0.186 3.774 3.960 0.001 0.000 0.686 692 G C 0.317 175.238 174.900 0.035 0.000 1.115 692 G CA -0.291 44.805 45.100 -0.006 0.000 0.770 692 G HN 0.311 nan 8.290 nan 0.000 0.601 693 E N 0.917 121.128 120.200 0.019 0.000 2.271 693 E HA -0.240 4.110 4.350 0.001 0.000 0.209 693 E C 1.931 178.574 176.600 0.071 0.000 1.046 693 E CA 2.138 58.555 56.400 0.029 0.000 0.840 693 E CB -0.008 29.703 29.700 0.018 0.000 0.738 693 E HN 0.808 nan 8.360 nan 0.000 0.470 694 D N -0.425 120.027 120.400 0.087 0.000 2.349 694 D HA -0.064 4.577 4.640 0.001 0.000 0.214 694 D C 1.382 177.764 176.300 0.137 0.000 1.063 694 D CA -0.292 53.764 54.000 0.094 0.000 0.847 694 D CB -0.394 40.443 40.800 0.062 0.000 0.933 694 D HN 0.186 nan 8.370 nan 0.000 0.513 695 F N 2.035 121.998 119.950 0.022 0.000 2.115 695 F HA -0.203 4.325 4.527 0.001 0.000 0.300 695 F C 1.948 177.821 175.800 0.121 0.000 1.092 695 F CA 1.082 59.102 58.000 0.032 0.000 1.245 695 F CB -0.526 38.481 39.000 0.011 0.000 0.995 695 F HN -0.008 nan 8.300 nan 0.000 0.481 696 I N 0.144 120.724 120.570 0.016 0.000 2.381 696 I HA -0.347 3.823 4.170 0.001 0.000 0.255 696 I C 1.504 177.523 176.117 -0.164 0.000 1.140 696 I CA 1.995 63.214 61.300 -0.136 0.000 1.404 696 I CB -0.406 37.580 38.000 -0.024 0.000 1.075 696 I HN 0.128 nan 8.210 nan 0.000 0.433 697 D N 0.181 120.550 120.400 -0.051 0.000 2.348 697 D HA -0.060 4.581 4.640 0.001 0.000 0.211 697 D C 1.829 178.165 176.300 0.060 0.000 0.998 697 D CA 0.618 54.625 54.000 0.012 0.000 0.873 697 D CB 0.107 40.933 40.800 0.043 0.000 0.925 697 D HN 0.377 nan 8.370 nan 0.000 0.524 698 K N 0.140 120.535 120.400 -0.008 0.000 2.418 698 K HA 0.147 4.467 4.320 0.001 0.000 0.195 698 K C 0.656 177.407 176.600 0.252 0.000 1.035 698 K CA 0.194 56.517 56.287 0.060 0.000 1.003 698 K CB 0.616 33.144 32.500 0.047 0.000 0.793 698 K HN 0.106 nan 8.250 nan 0.000 0.494 699 I N 1.780 122.377 120.570 0.044 0.000 2.416 699 I HA 0.082 4.252 4.170 0.001 0.000 0.288 699 I C 0.479 176.596 176.117 0.001 0.000 1.051 699 I CA -0.691 60.620 61.300 0.019 0.000 1.375 699 I CB 1.083 38.936 38.000 -0.245 0.000 1.407 699 I HN 0.030 nan 8.210 nan 0.000 0.516 700 A N 5.276 128.094 122.820 -0.003 0.000 2.310 700 A HA 0.537 4.857 4.320 0.001 0.000 0.260 700 A C -0.369 176.879 177.584 -0.560 0.000 1.112 700 A CA -0.067 51.816 52.037 -0.256 0.000 0.804 700 A CB 0.388 19.356 19.000 -0.054 0.000 1.081 700 A HN 0.874 nan 8.150 nan 0.000 0.499 701 D N -2.841 117.149 120.400 -0.683 0.000 2.838 701 D HA 0.384 5.024 4.640 0.001 0.000 0.334 701 D C -0.055 176.000 176.300 -0.409 0.000 1.315 701 D CA -0.342 53.041 54.000 -1.028 0.000 0.917 701 D CB -0.084 40.299 40.800 -0.695 0.000 1.435 701 D HN 0.266 nan 8.370 nan 0.000 0.517 702 E N -0.791 119.272 120.200 -0.230 0.000 2.265 702 E HA -0.056 4.295 4.350 0.001 0.000 0.196 702 E C 1.683 178.318 176.600 0.058 0.000 0.996 702 E CA 1.815 58.315 56.400 0.167 0.000 0.832 702 E CB -0.759 29.065 29.700 0.208 0.000 0.756 702 E HN 0.629 nan 8.360 nan 0.000 0.491 703 T N -1.685 112.832 114.554 -0.061 0.000 3.085 703 T HA 0.034 4.385 4.350 0.001 0.000 0.263 703 T C 1.463 176.113 174.700 -0.083 0.000 1.127 703 T CA 0.380 62.444 62.100 -0.060 0.000 1.103 703 T CB -0.017 68.802 68.868 -0.082 0.000 0.921 703 T HN -0.005 nan 8.240 nan 0.000 0.510 704 I N 0.919 121.414 120.570 -0.125 0.000 2.899 704 I HA 0.480 4.651 4.170 0.001 0.000 0.257 704 I C 1.486 177.582 176.117 -0.035 0.000 1.115 704 I CA 0.600 61.791 61.300 -0.181 0.000 1.451 704 I CB -0.891 36.831 38.000 -0.462 0.000 1.251 704 I HN 0.541 nan 8.210 nan 0.000 0.456 705 G N 0.000 108.848 108.800 0.080 0.000 2.356 705 G HA2 0.355 4.315 3.960 0.001 0.000 0.294 705 G HA3 0.355 4.315 3.960 0.001 0.000 0.294 705 G C -0.221 174.804 174.900 0.209 0.000 1.423 705 G CA 0.408 45.575 45.100 0.112 0.000 0.806 705 G HN 0.028 nan 8.290 nan 0.000 0.527 706 T N -3.124 111.463 114.554 0.056 0.000 3.058 706 T HA 0.457 4.807 4.350 0.001 0.000 0.278 706 T C 0.807 175.391 174.700 -0.193 0.000 0.974 706 T CA 1.115 63.172 62.100 -0.072 0.000 0.893 706 T CB 0.179 69.045 68.868 -0.002 0.000 1.138 706 T HN 1.466 nan 8.240 nan 0.000 0.529 707 T N -1.376 113.108 114.554 -0.118 0.000 2.924 707 T HA 0.621 4.972 4.350 0.001 0.000 0.291 707 T C 1.200 175.847 174.700 -0.088 0.000 1.045 707 T CA -0.490 61.543 62.100 -0.111 0.000 1.015 707 T CB 1.772 70.603 68.868 -0.062 0.000 1.103 707 T HN -0.179 nan 8.240 nan 0.000 0.496 708 V N 1.318 121.184 119.914 -0.080 0.000 2.332 708 V HA -0.126 3.995 4.120 0.001 0.000 0.248 708 V C 2.292 178.382 176.094 -0.007 0.000 1.055 708 V CA 2.130 64.405 62.300 -0.042 0.000 1.038 708 V CB -0.736 31.064 31.823 -0.038 0.000 0.651 708 V HN 0.891 nan 8.190 nan 0.000 0.450 709 D N -0.379 120.016 120.400 -0.008 0.000 2.219 709 D HA -0.125 4.516 4.640 0.001 0.000 0.205 709 D C 2.199 178.511 176.300 0.021 0.000 0.970 709 D CA 0.936 54.941 54.000 0.007 0.000 0.851 709 D CB -0.078 40.722 40.800 0.001 0.000 0.943 709 D HN 0.566 nan 8.370 nan 0.000 0.488 710 E N -0.347 119.862 120.200 0.016 0.000 2.299 710 E HA 0.013 4.364 4.350 0.001 0.000 0.193 710 E C 2.060 178.692 176.600 0.054 0.000 0.998 710 E CA 0.305 56.723 56.400 0.030 0.000 0.851 710 E CB 0.293 30.005 29.700 0.020 0.000 0.795 710 E HN 0.454 nan 8.360 nan 0.000 0.492 711 I N -2.345 118.262 120.570 0.062 0.000 4.035 711 I HA 0.087 4.258 4.170 0.001 0.000 0.321 711 I C 1.898 178.104 176.117 0.148 0.000 1.289 711 I CA -0.066 61.298 61.300 0.107 0.000 1.236 711 I CB 0.242 38.324 38.000 0.136 0.000 1.076 711 I HN -0.044 nan 8.210 nan 0.000 0.418 712 L N 2.723 124.004 121.223 0.097 0.000 2.017 712 L HA 0.097 4.438 4.340 0.001 0.000 0.208 712 L C -0.527 176.409 176.870 0.109 0.000 1.073 712 L CA 2.372 57.265 54.840 0.089 0.000 0.745 712 L CB -1.558 40.532 42.059 0.051 0.000 0.894 712 L HN 0.110 nan 8.230 nan 0.000 0.432 713 P HA -0.253 nan 4.420 nan 0.000 0.216 713 P C 1.317 178.697 177.300 0.134 0.000 1.150 713 P CA 1.628 64.788 63.100 0.100 0.000 0.843 713 P CB -0.260 31.494 31.700 0.091 0.000 0.787 714 Y N 0.158 120.485 120.300 0.045 0.000 2.181 714 Y HA -0.167 4.384 4.550 0.001 0.000 0.288 714 Y C 2.065 178.005 175.900 0.068 0.000 1.146 714 Y CA 1.442 59.572 58.100 0.051 0.000 1.164 714 Y CB -0.876 37.615 38.460 0.052 0.000 0.982 714 Y HN -0.209 nan 8.280 nan 0.000 0.515 715 L N -0.066 121.303 121.223 0.243 0.000 2.056 715 L HA -0.199 4.141 4.340 0.001 0.000 0.207 715 L C 2.355 179.281 176.870 0.093 0.000 1.078 715 L CA 1.660 56.603 54.840 0.171 0.000 0.749 715 L CB -0.575 41.568 42.059 0.140 0.000 0.901 715 L HN 0.278 nan 8.230 nan 0.000 0.433 716 E N 0.108 120.350 120.200 0.071 0.000 2.038 716 E HA -0.304 4.047 4.350 0.001 0.000 0.195 716 E C 2.060 178.664 176.600 0.007 0.000 1.000 716 E CA 1.532 57.959 56.400 0.046 0.000 0.803 716 E CB -0.172 29.555 29.700 0.045 0.000 0.750 716 E HN 0.471 nan 8.360 nan 0.000 0.448 717 E N 0.955 121.140 120.200 -0.025 0.000 2.171 717 E HA -0.219 4.132 4.350 0.001 0.000 0.197 717 E C 1.411 177.943 176.600 -0.113 0.000 0.997 717 E CA 1.013 57.374 56.400 -0.065 0.000 0.810 717 E CB 0.199 29.854 29.700 -0.075 0.000 0.738 717 E HN -0.042 nan 8.360 nan 0.000 0.467 718 K N -0.212 120.086 120.400 -0.171 0.000 2.444 718 K HA 0.059 4.380 4.320 0.001 0.000 0.193 718 K C 0.767 177.343 176.600 -0.040 0.000 1.024 718 K CA 0.674 56.858 56.287 -0.170 0.000 1.077 718 K CB 0.354 32.673 32.500 -0.302 0.000 0.833 718 K HN 0.308 nan 8.250 nan 0.000 0.517 719 G N 2.966 111.766 108.800 0.001 0.000 2.395 719 G HA2 -0.296 3.665 3.960 0.001 0.000 0.300 719 G HA3 -0.296 3.665 3.960 0.001 0.000 0.300 719 G C -0.014 174.936 174.900 0.083 0.000 0.998 719 G CA 0.400 45.522 45.100 0.038 0.000 1.046 719 G HN 0.509 nan 8.290 nan 0.000 0.513 720 H N 1.049 120.159 119.070 0.068 0.000 3.070 720 H HA 0.064 4.621 4.556 0.001 0.000 0.313 720 H C -0.421 174.982 175.328 0.126 0.000 0.997 720 H CA -0.317 55.823 56.048 0.154 0.000 1.438 720 H CB 1.270 31.133 29.762 0.169 0.000 1.455 720 H HN 0.224 nan 8.280 nan 0.000 0.575 721 P HA -0.097 nan 4.420 nan 0.000 0.225 721 P C 1.071 178.481 177.300 0.184 0.000 1.148 721 P CA 1.160 64.290 63.100 0.049 0.000 0.779 721 P CB 0.101 31.709 31.700 -0.152 0.000 0.780 722 A N 0.525 123.633 122.820 0.480 0.000 1.972 722 A HA -0.115 4.206 4.320 0.001 0.000 0.219 722 A C 2.311 179.996 177.584 0.169 0.000 1.169 722 A CA 1.117 53.334 52.037 0.300 0.000 0.635 722 A CB -1.514 17.650 19.000 0.273 0.000 0.810 722 A HN 0.158 nan 8.150 nan 0.000 0.446 723 L N -0.240 121.090 121.223 0.180 0.000 2.265 723 L HA -0.103 4.237 4.340 0.001 0.000 0.215 723 L C 2.142 179.052 176.870 0.068 0.000 1.117 723 L CA 1.605 56.506 54.840 0.102 0.000 0.782 723 L CB -0.419 41.703 42.059 0.105 0.000 0.914 723 L HN 0.636 nan 8.230 nan 0.000 0.441 724 T N -5.420 109.173 114.554 0.066 0.000 3.091 724 T HA 0.310 4.661 4.350 0.001 0.000 0.277 724 T C 0.605 175.323 174.700 0.029 0.000 0.996 724 T CA -0.354 61.769 62.100 0.039 0.000 0.897 724 T CB 0.129 69.015 68.868 0.029 0.000 1.109 724 T HN -0.061 nan 8.240 nan 0.000 0.534 725 M N 2.236 121.859 119.600 0.039 0.000 2.219 725 M HA 0.171 4.651 4.480 0.001 0.000 0.307 725 M C 0.173 176.484 176.300 0.018 0.000 1.116 725 M CA 0.054 55.369 55.300 0.024 0.000 1.181 725 M CB 0.201 32.820 32.600 0.032 0.000 1.410 725 M HN 0.138 nan 8.290 nan 0.000 0.454 726 D N 1.959 122.365 120.400 0.009 0.000 2.443 726 D HA 0.105 4.746 4.640 0.001 0.000 0.239 726 D C -2.193 174.111 176.300 0.008 0.000 1.136 726 D CA -0.557 53.447 54.000 0.006 0.000 0.879 726 D CB 0.105 40.906 40.800 0.001 0.000 1.195 726 D HN 0.207 nan 8.370 nan 0.000 0.443 727 P HA -0.075 nan 4.420 nan 0.000 0.257 727 P C 0.728 178.028 177.300 -0.000 0.000 1.153 727 P CA 0.439 63.541 63.100 0.004 0.000 0.762 727 P CB 0.451 32.152 31.700 0.002 0.000 0.743 728 I N 3.229 123.798 120.570 -0.002 0.000 2.585 728 I HA -0.068 4.103 4.170 0.001 0.000 0.254 728 I C 1.203 177.311 176.117 -0.016 0.000 1.129 728 I CA 0.438 61.731 61.300 -0.011 0.000 1.455 728 I CB 0.009 38.000 38.000 -0.015 0.000 1.111 728 I HN 0.381 nan 8.210 nan 0.000 0.433 729 M N 0.000 119.592 119.600 -0.014 0.000 2.572 729 M HA 0.000 4.481 4.480 0.001 0.000 0.227 729 M CA 0.000 55.291 55.300 -0.015 0.000 0.988 729 M CB 0.000 32.596 32.600 -0.006 0.000 1.302 729 M HN 0.000 nan 8.290 nan 0.000 0.411