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 2c3p_1_A DATA FIRST_RESID 2 DATA SEQUENCE GKKMMTTDGN TATAHVAYAM SEVAAIYPIT PSSTMGEEAD DWAAQGRKNI DATA SEQUENCE FGQTLTIREM QSEAGAAGAV HGALAAGALT TTFTASQGLL LMIPNMYKIS DATA SEQUENCE GELLPGVFHV TARAIAAHAL SIFGDHQDIY AARQTGFAML ASSSVQEAHD DATA SEQUENCE MALVAHLAAI ESNVPFMHFF DGFRTSHEIQ KIEVLDYADM ASLVNQKALA DATA SEQUENCE EFRAKSMNPE HPHVRGTAQN PDIYFQGREA ANPYYLKVPG IVAEYMQKVA DATA SEQUENCE SLTGRSYKLF DYVGAPDAER VIVSMGSSCE TIEEVINHLA AKGEKIGLIK DATA SEQUENCE VRLYRPFVSE AFFAALPASA KVITVLDRTK EPGAPGDPLY LDVCSAFVER DATA SEQUENCE GEAMPKILAG RYGLGSKEFS PAMVKSVYDN MSGAKKNHFT VGIEDDVTGT DATA SEQUENCE SLPVDNAFAD TTPKGTIQCQ FWGLGADGTV GANKQAIKII GDNTDLFAQG DATA SEQUENCE YFSYDSKKSG GITISHLRFG EKPIQSTYLV NRADYVACHN PAYVGIYDIL DATA SEQUENCE EGIKDGGTFV LNSPWSSLED MDKHLPSGIK RTIANKKLKF YNIDAVKIAT DATA SEQUENCE DVGLGGRINM IMQTAFFKLA GVLPFEKAVD LLKKSIHKAY GKKGEKIVKM DATA SEQUENCE NTDAVDQAVT SLQEFKYPDS WKDAPAETKA EPMTNEFFKN VVKPILTQQG DATA SEQUENCE DKLPVSAFEA DGRFPLGTSQ FEKRGVAINV PQWVPENCIQ CNQCAFVCPH DATA SEQUENCE SAILPVLAKE EELVGAPANF TALEAKGKEL KGYKFRIQIN TLDCMGCGNC DATA SEQUENCE ADICPPKEKA LVMQPLDTQR DAQVPNLEYA ARIPVKSEVL PRDSLKGSQF DATA SEQUENCE QEPLMEFSGA CSGCGETPYV RVITQLFGER MFIANATGCS SIWGASAPSM DATA SEQUENCE PYKTNRLGQG PAWGNSLFED AAEYGFGMNM SMFARRTHLA DLAAKALESD DATA SEQUENCE ASGDVKEALQ GWLAGKNDPI KSKEYGDKLK KLLAGQKDGL LGQIAAMSDL DATA SEQUENCE YTKKSVWIFG GDGWAYDIGY GGLDHVLASG EDVNVFVMDT EVYSNTGGQS DATA SEQUENCE SKATPTGAVA KFAAAGKRTG KKDLARMVMT YGYVYVATVS MGYSKQQFLK DATA SEQUENCE VLKEAESFPG PSLVIAYATC INQGLRKGMG KSQDVMNTAV KSGYWPLFRY DATA SEQUENCE DPRLAAQGKN PFQLDSKAPD GSVEEFLMAQ NRFAVLDRSF PEDAKRLRAQ DATA SEQUENCE VAHELDVRFK ELEHMAATNI FESFAPAGGK ADGSVDFGEG AEFcTRDDTP DATA SEQUENCE MMARPDSGEA cDQNRAGTSE QQGDLSKRTK K 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 2 G C 0.000 174.916 174.900 0.026 0.000 0.946 2 G CA 0.000 45.112 45.100 0.020 0.000 0.502 3 K N -0.220 120.186 120.400 0.009 0.000 2.399 3 K HA 0.751 5.070 4.320 -0.001 0.000 0.247 3 K C -0.329 176.256 176.600 -0.025 0.000 1.036 3 K CA -0.616 55.668 56.287 -0.004 0.000 0.977 3 K CB 1.095 33.587 32.500 -0.014 0.000 1.272 3 K HN 0.584 nan 8.250 nan 0.000 0.501 4 K N 0.781 121.150 120.400 -0.052 0.000 2.594 4 K HA 0.125 4.444 4.320 -0.001 0.000 0.262 4 K C -1.599 174.942 176.600 -0.099 0.000 0.954 4 K CA -0.477 55.767 56.287 -0.071 0.000 0.917 4 K CB 0.802 33.256 32.500 -0.075 0.000 1.343 4 K HN 0.375 nan 8.250 nan 0.000 0.428 5 M N 5.138 124.685 119.600 -0.087 0.000 2.314 5 M HA 0.542 5.022 4.480 -0.001 0.000 0.342 5 M C 0.038 176.285 176.300 -0.089 0.000 1.171 5 M CA -0.336 54.910 55.300 -0.091 0.000 1.098 5 M CB 0.831 33.383 32.600 -0.080 0.000 1.559 5 M HN 0.797 nan 8.290 nan 0.000 0.459 6 M N 0.634 120.184 119.600 -0.084 0.000 2.605 6 M HA 0.512 4.991 4.480 -0.001 0.000 0.281 6 M C -1.253 175.026 176.300 -0.035 0.000 1.166 6 M CA -0.749 54.512 55.300 -0.065 0.000 0.875 6 M CB 2.247 34.789 32.600 -0.096 0.000 1.732 6 M HN 0.594 nan 8.290 nan 0.000 0.504 7 T N 0.415 114.967 114.554 -0.003 0.000 2.756 7 T HA 0.824 5.174 4.350 -0.001 0.000 0.290 7 T C -0.189 174.531 174.700 0.033 0.000 0.985 7 T CA 0.099 62.216 62.100 0.028 0.000 0.955 7 T CB 0.858 69.763 68.868 0.062 0.000 0.930 7 T HN 1.015 nan 8.240 nan 0.000 0.451 8 T N 0.007 114.581 114.554 0.034 0.000 2.731 8 T HA 0.639 4.989 4.350 -0.001 0.000 0.300 8 T C -1.432 173.299 174.700 0.051 0.000 1.283 8 T CA -0.988 61.138 62.100 0.042 0.000 1.005 8 T CB 1.307 70.193 68.868 0.030 0.000 1.420 8 T HN 0.670 nan 8.240 nan 0.000 0.503 9 D N -0.790 119.639 120.400 0.048 0.000 2.387 9 D HA 0.503 5.143 4.640 -0.001 0.000 0.255 9 D C 1.665 177.975 176.300 0.017 0.000 1.081 9 D CA -0.267 53.764 54.000 0.052 0.000 0.994 9 D CB 0.273 41.096 40.800 0.037 0.000 1.127 9 D HN 0.776 nan 8.370 nan 0.000 0.513 10 G N 0.029 108.838 108.800 0.016 0.000 2.469 10 G HA2 -0.375 3.585 3.960 -0.001 0.000 0.219 10 G HA3 -0.375 3.585 3.960 -0.001 0.000 0.219 10 G C 1.251 176.032 174.900 -0.197 0.000 1.150 10 G CA 0.913 45.923 45.100 -0.149 0.000 0.763 10 G HN 0.668 nan 8.290 nan 0.000 0.561 11 N N -0.355 118.365 118.700 0.034 0.000 2.043 11 N HA -0.113 4.627 4.740 -0.001 0.000 0.193 11 N C 2.326 177.855 175.510 0.032 0.000 1.037 11 N CA 1.721 54.827 53.050 0.094 0.000 0.851 11 N CB -0.144 38.338 38.487 -0.009 0.000 1.027 11 N HN 0.245 nan 8.380 nan 0.000 0.422 12 T N 0.436 115.008 114.554 0.031 0.000 2.821 12 T HA -0.049 4.300 4.350 -0.001 0.000 0.267 12 T C 1.992 176.810 174.700 0.196 0.000 1.046 12 T CA 1.038 63.218 62.100 0.134 0.000 1.139 12 T CB -0.304 68.641 68.868 0.129 0.000 0.871 12 T HN 0.316 nan 8.240 nan 0.000 0.454 13 A N 1.657 124.533 122.820 0.093 0.000 1.908 13 A HA -0.151 4.169 4.320 -0.001 0.000 0.218 13 A C 2.634 180.308 177.584 0.150 0.000 1.181 13 A CA 2.391 54.499 52.037 0.120 0.000 0.627 13 A CB -1.246 17.783 19.000 0.048 0.000 0.818 13 A HN 0.585 nan 8.150 nan 0.000 0.445 14 T N -2.461 112.112 114.554 0.030 0.000 2.942 14 T HA 0.215 4.565 4.350 -0.001 0.000 0.265 14 T C 1.911 176.661 174.700 0.084 0.000 1.062 14 T CA 1.516 63.625 62.100 0.015 0.000 1.139 14 T CB -0.413 68.469 68.868 0.023 0.000 0.883 14 T HN 0.541 nan 8.240 nan 0.000 0.468 15 A N 0.881 123.806 122.820 0.175 0.000 1.972 15 A HA -0.083 4.236 4.320 -0.001 0.000 0.219 15 A C 2.124 180.059 177.584 0.584 0.000 1.169 15 A CA 2.095 54.295 52.037 0.272 0.000 0.635 15 A CB -1.335 17.682 19.000 0.029 0.000 0.810 15 A HN 0.820 nan 8.150 nan 0.000 0.446 16 H N -0.214 119.123 119.070 0.444 0.000 2.319 16 H HA -0.120 4.435 4.556 -0.001 0.000 0.297 16 H C 1.749 177.208 175.328 0.220 0.000 1.097 16 H CA 2.354 58.581 56.048 0.298 0.000 1.285 16 H CB -0.152 29.731 29.762 0.201 0.000 1.368 16 H HN 0.151 nan 8.280 nan 0.000 0.495 17 V N 0.439 120.398 119.914 0.076 0.000 2.346 17 V HA -0.118 4.002 4.120 -0.001 0.000 0.244 17 V C 2.765 178.727 176.094 -0.219 0.000 1.037 17 V CA 1.343 63.531 62.300 -0.187 0.000 1.029 17 V CB -1.171 30.516 31.823 -0.226 0.000 0.663 17 V HN 0.686 nan 8.190 nan 0.000 0.454 18 A N -0.726 122.084 122.820 -0.017 0.000 1.917 18 A HA -0.316 4.004 4.320 -0.001 0.000 0.219 18 A C 2.164 179.798 177.584 0.083 0.000 1.182 18 A CA 2.366 54.461 52.037 0.097 0.000 0.633 18 A CB -0.862 18.415 19.000 0.461 0.000 0.819 18 A HN 0.650 nan 8.150 nan 0.000 0.448 19 Y N 0.339 120.720 120.300 0.135 0.000 2.145 19 Y HA -0.103 4.446 4.550 -0.001 0.000 0.286 19 Y C 2.717 178.552 175.900 -0.108 0.000 1.145 19 Y CA 1.532 59.737 58.100 0.174 0.000 1.148 19 Y CB -0.416 38.316 38.460 0.454 0.000 0.981 19 Y HN 0.328 nan 8.280 nan 0.000 0.507 20 A N 0.027 122.653 122.820 -0.324 0.000 1.908 20 A HA -0.209 4.110 4.320 -0.001 0.000 0.218 20 A C 1.959 179.231 177.584 -0.520 0.000 1.181 20 A CA 2.100 53.605 52.037 -0.887 0.000 0.627 20 A CB -0.549 17.341 19.000 -1.849 0.000 0.818 20 A HN 0.505 nan 8.150 nan 0.000 0.445 21 M N 0.017 119.329 119.600 -0.480 0.000 2.495 21 M HA 0.183 4.662 4.480 -0.001 0.000 0.237 21 M C -0.023 176.181 176.300 -0.160 0.000 1.131 21 M CA 0.326 55.384 55.300 -0.404 0.000 1.032 21 M CB -0.741 31.425 32.600 -0.723 0.000 1.513 21 M HN 0.195 nan 8.290 nan 0.000 0.488 22 S N -0.119 115.519 115.700 -0.103 0.000 2.568 22 S HA 0.413 4.883 4.470 -0.001 0.000 0.302 22 S C 0.704 175.324 174.600 0.034 0.000 1.082 22 S CA -0.723 57.493 58.200 0.028 0.000 1.009 22 S CB 2.545 65.773 63.200 0.046 0.000 1.069 22 S HN 0.216 nan 8.310 nan 0.000 0.500 23 E N 0.071 120.302 120.200 0.050 0.000 2.330 23 E HA 0.213 4.562 4.350 -0.001 0.000 0.200 23 E C -0.378 176.215 176.600 -0.011 0.000 0.922 23 E CA 0.351 56.754 56.400 0.005 0.000 0.935 23 E CB 0.581 30.239 29.700 -0.069 0.000 0.917 23 E HN 0.279 nan 8.360 nan 0.000 0.491 24 V N 0.555 120.476 119.914 0.012 0.000 2.876 24 V HA 0.721 4.840 4.120 -0.001 0.000 0.312 24 V C -1.112 174.996 176.094 0.022 0.000 1.085 24 V CA -0.942 61.368 62.300 0.017 0.000 0.945 24 V CB 1.897 33.734 31.823 0.024 0.000 1.017 24 V HN 0.122 nan 8.190 nan 0.000 0.428 25 A N 2.514 125.348 122.820 0.024 0.000 2.408 25 A HA 0.921 5.240 4.320 -0.001 0.000 0.295 25 A C -0.592 176.991 177.584 -0.002 0.000 1.040 25 A CA -0.181 51.862 52.037 0.010 0.000 0.707 25 A CB 1.650 20.708 19.000 0.097 0.000 1.235 25 A HN 1.501 nan 8.150 nan 0.000 0.418 26 A N 3.062 125.855 122.820 -0.046 0.000 2.287 26 A HA 0.767 5.087 4.320 -0.001 0.000 0.317 26 A C -0.117 177.420 177.584 -0.078 0.000 1.220 26 A CA -0.416 51.592 52.037 -0.049 0.000 0.835 26 A CB -0.006 18.971 19.000 -0.038 0.000 1.180 26 A HN 1.716 nan 8.150 nan 0.000 0.500 27 I N -1.084 119.432 120.570 -0.090 0.000 3.145 27 I HA 0.885 5.055 4.170 -0.001 0.000 0.313 27 I C -1.498 174.565 176.117 -0.091 0.000 1.122 27 I CA -1.177 60.067 61.300 -0.093 0.000 0.987 27 I CB 2.306 40.258 38.000 -0.081 0.000 1.236 27 I HN 0.554 nan 8.210 nan 0.000 0.453 28 Y N 2.704 122.885 120.300 -0.199 0.000 2.482 28 Y HA 0.548 5.097 4.550 -0.001 0.000 0.334 28 Y C -2.792 173.020 175.900 -0.145 0.000 1.091 28 Y CA -1.831 56.152 58.100 -0.194 0.000 1.027 28 Y CB 2.460 40.853 38.460 -0.113 0.000 1.306 28 Y HN 0.445 nan 8.280 nan 0.000 0.446 29 P HA 0.412 nan 4.420 nan 0.000 0.282 29 P C -1.033 176.141 177.300 -0.211 0.000 1.262 29 P CA 0.147 63.033 63.100 -0.355 0.000 0.773 29 P CB 1.778 33.222 31.700 -0.426 0.000 0.879 30 I N 1.593 122.117 120.570 -0.077 0.000 2.685 30 I HA 0.162 4.331 4.170 -0.001 0.000 0.289 30 I C -0.552 175.532 176.117 -0.054 0.000 1.292 30 I CA -0.346 60.931 61.300 -0.038 0.000 1.050 30 I CB 2.193 40.216 38.000 0.037 0.000 1.301 30 I HN 0.156 nan 8.210 nan 0.000 0.425 31 T N 8.752 123.262 114.554 -0.072 0.000 2.930 31 T HA 0.230 4.579 4.350 -0.001 0.000 0.306 31 T C -2.091 172.537 174.700 -0.121 0.000 1.045 31 T CA -0.495 61.548 62.100 -0.094 0.000 1.134 31 T CB 0.714 69.537 68.868 -0.075 0.000 0.961 31 T HN 0.482 nan 8.240 nan 0.000 0.545 32 P HA 0.171 nan 4.420 nan 0.000 0.266 32 P C 0.770 178.008 177.300 -0.103 0.000 1.561 32 P CA -0.158 62.757 63.100 -0.309 0.000 1.089 32 P CB 0.107 31.241 31.700 -0.943 0.000 1.534 33 S N -2.114 113.540 115.700 -0.076 0.000 2.524 33 S HA 0.017 4.486 4.470 -0.001 0.000 0.216 33 S C 1.836 176.419 174.600 -0.027 0.000 0.987 33 S CA 0.337 58.524 58.200 -0.022 0.000 0.909 33 S CB -0.838 62.377 63.200 0.024 0.000 0.781 33 S HN -0.032 nan 8.310 nan 0.000 0.521 34 S N 2.341 118.016 115.700 -0.042 0.000 2.389 34 S HA -0.174 4.296 4.470 -0.001 0.000 0.231 34 S C 1.940 176.486 174.600 -0.090 0.000 1.052 34 S CA 2.122 60.296 58.200 -0.044 0.000 1.053 34 S CB -1.181 61.987 63.200 -0.054 0.000 0.886 34 S HN 0.757 nan 8.310 nan 0.000 0.456 35 T N 2.314 116.789 114.554 -0.132 0.000 2.737 35 T HA -0.140 4.209 4.350 -0.001 0.000 0.269 35 T C 1.737 176.258 174.700 -0.299 0.000 1.040 35 T CA 1.498 63.476 62.100 -0.203 0.000 1.142 35 T CB -0.359 68.377 68.868 -0.219 0.000 0.861 35 T HN 0.390 nan 8.240 nan 0.000 0.456 36 M N 0.557 119.947 119.600 -0.351 0.000 2.086 36 M HA -0.010 4.470 4.480 -0.001 0.000 0.261 36 M C 2.846 178.628 176.300 -0.863 0.000 1.067 36 M CA 1.781 56.668 55.300 -0.688 0.000 1.116 36 M CB -0.808 31.255 32.600 -0.894 0.000 1.348 36 M HN 0.392 nan 8.290 nan 0.000 0.407 37 G N 0.264 108.736 108.800 -0.546 0.000 2.421 37 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.216 37 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.216 37 G C 1.304 176.252 174.900 0.080 0.000 1.171 37 G CA 0.823 45.889 45.100 -0.056 0.000 0.775 37 G HN 0.510 nan 8.290 nan 0.000 0.543 38 E N 0.413 120.568 120.200 -0.076 0.000 2.110 38 E HA -0.113 4.236 4.350 -0.001 0.000 0.193 38 E C 2.411 178.754 176.600 -0.428 0.000 0.988 38 E CA 1.061 57.251 56.400 -0.350 0.000 0.804 38 E CB -0.101 29.376 29.700 -0.372 0.000 0.745 38 E HN 0.577 nan 8.360 nan 0.000 0.458 39 E N 0.714 120.574 120.200 -0.567 0.000 2.047 39 E HA -0.164 4.185 4.350 -0.001 0.000 0.191 39 E C 2.170 178.065 176.600 -1.176 0.000 0.987 39 E CA 0.816 56.606 56.400 -1.017 0.000 0.799 39 E CB -0.136 28.804 29.700 -1.266 0.000 0.752 39 E HN 0.223 nan 8.360 nan 0.000 0.449 40 A N 1.487 123.906 122.820 -0.668 0.000 1.917 40 A HA -0.308 4.012 4.320 -0.001 0.000 0.219 40 A C 1.867 179.527 177.584 0.125 0.000 1.182 40 A CA 2.201 54.214 52.037 -0.039 0.000 0.633 40 A CB -0.690 18.447 19.000 0.228 0.000 0.819 40 A HN 0.248 nan 8.150 nan 0.000 0.448 41 D N -0.599 119.824 120.400 0.039 0.000 2.084 41 D HA -0.148 4.492 4.640 -0.001 0.000 0.194 41 D C 1.409 177.709 176.300 0.001 0.000 0.990 41 D CA 1.472 55.528 54.000 0.093 0.000 0.826 41 D CB -0.099 40.733 40.800 0.053 0.000 0.971 41 D HN 0.360 nan 8.370 nan 0.000 0.453 42 D N -0.357 119.942 120.400 -0.167 0.000 2.133 42 D HA -0.173 4.466 4.640 -0.001 0.000 0.195 42 D C 1.890 178.226 176.300 0.060 0.000 0.997 42 D CA 0.770 54.703 54.000 -0.111 0.000 0.840 42 D CB -0.356 40.317 40.800 -0.212 0.000 0.947 42 D HN 0.477 nan 8.370 nan 0.000 0.452 43 W N 1.219 122.484 121.300 -0.059 0.000 2.388 43 W HA 0.111 4.770 4.660 -0.001 0.000 0.294 43 W C 2.535 179.017 176.519 -0.061 0.000 1.212 43 W CA 0.446 57.680 57.345 -0.184 0.000 1.271 43 W CB -1.292 27.846 29.460 -0.538 0.000 1.126 43 W HN -0.038 nan 8.180 nan 0.000 0.535 44 A N 0.608 123.656 122.820 0.380 0.000 1.902 44 A HA 0.020 4.340 4.320 -0.001 0.000 0.217 44 A C 2.259 179.980 177.584 0.229 0.000 1.181 44 A CA 2.588 54.877 52.037 0.420 0.000 0.623 44 A CB -1.030 18.216 19.000 0.409 0.000 0.818 44 A HN 0.114 nan 8.150 nan 0.000 0.443 45 A N -0.780 122.137 122.820 0.163 0.000 1.969 45 A HA -0.142 4.177 4.320 -0.001 0.000 0.218 45 A C 2.027 179.670 177.584 0.099 0.000 1.169 45 A CA 1.463 53.560 52.037 0.101 0.000 0.635 45 A CB -0.442 18.596 19.000 0.064 0.000 0.810 45 A HN 0.646 nan 8.150 nan 0.000 0.445 46 Q N -1.757 118.114 119.800 0.118 0.000 2.378 46 Q HA 0.205 4.544 4.340 -0.001 0.000 0.205 46 Q C 1.142 177.189 176.000 0.078 0.000 0.954 46 Q CA 0.567 56.428 55.803 0.096 0.000 0.901 46 Q CB 0.056 28.854 28.738 0.101 0.000 0.981 46 Q HN 0.881 nan 8.270 nan 0.000 0.483 47 G N 1.454 110.315 108.800 0.102 0.000 2.148 47 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.203 47 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.203 47 G C -0.044 174.913 174.900 0.096 0.000 0.993 47 G CA -0.174 44.985 45.100 0.098 0.000 0.661 47 G HN 0.237 nan 8.290 nan 0.000 0.518 48 R N 0.709 121.255 120.500 0.076 0.000 2.522 48 R HA 0.405 4.745 4.340 -0.001 0.000 0.284 48 R C 0.179 176.639 176.300 0.267 0.000 1.032 48 R CA 0.217 56.320 56.100 0.005 0.000 1.049 48 R CB 0.374 30.493 30.300 -0.302 0.000 0.956 48 R HN -0.019 nan 8.270 nan 0.000 0.422 49 K N 2.846 123.388 120.400 0.237 0.000 2.098 49 K HA 0.186 4.505 4.320 -0.001 0.000 0.258 49 K C -0.140 176.743 176.600 0.473 0.000 0.973 49 K CA -0.805 55.674 56.287 0.321 0.000 0.898 49 K CB 1.163 33.770 32.500 0.178 0.000 1.057 49 K HN 0.738 nan 8.250 nan 0.000 0.447 50 N N 0.401 119.304 118.700 0.337 0.000 2.538 50 N HA 0.147 4.886 4.740 -0.001 0.000 0.292 50 N C 1.177 176.709 175.510 0.036 0.000 1.262 50 N CA -0.543 52.611 53.050 0.174 0.000 0.976 50 N CB -0.051 38.453 38.487 0.027 0.000 1.161 50 N HN 0.604 nan 8.380 nan 0.000 0.598 51 I N -4.215 116.215 120.570 -0.234 0.000 2.850 51 I HA -0.001 4.169 4.170 -0.001 0.000 0.266 51 I C 0.255 176.080 176.117 -0.487 0.000 1.257 51 I CA 1.182 62.246 61.300 -0.394 0.000 1.465 51 I CB -0.578 37.064 38.000 -0.596 0.000 1.091 51 I HN 0.197 nan 8.210 nan 0.000 0.467 52 F N 2.078 122.036 119.950 0.013 0.000 2.727 52 F HA 0.449 4.976 4.527 -0.001 0.000 0.302 52 F C 1.863 177.685 175.800 0.038 0.000 1.097 52 F CA 0.378 58.391 58.000 0.022 0.000 1.330 52 F CB 0.206 39.215 39.000 0.014 0.000 1.084 52 F HN 0.258 nan 8.300 nan 0.000 0.578 53 G N 0.324 109.211 108.800 0.144 0.000 2.147 53 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.244 53 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.244 53 G C -0.021 174.967 174.900 0.148 0.000 1.005 53 G CA -0.218 44.960 45.100 0.130 0.000 0.713 53 G HN 0.262 nan 8.290 nan 0.000 0.515 54 Q N 0.238 120.146 119.800 0.180 0.000 2.351 54 Q HA 0.638 4.977 4.340 -0.001 0.000 0.273 54 Q C 0.454 176.557 176.000 0.172 0.000 1.077 54 Q CA 0.016 55.911 55.803 0.153 0.000 0.843 54 Q CB 1.467 30.285 28.738 0.132 0.000 1.367 54 Q HN 0.552 nan 8.270 nan 0.000 0.449 55 T N -1.397 113.255 114.554 0.163 0.000 2.910 55 T HA 0.402 4.752 4.350 -0.001 0.000 0.293 55 T C 0.385 175.150 174.700 0.108 0.000 1.015 55 T CA -0.820 61.414 62.100 0.224 0.000 1.094 55 T CB 0.606 69.604 68.868 0.216 0.000 0.968 55 T HN 0.397 nan 8.240 nan 0.000 0.521 56 L N 2.610 123.838 121.223 0.007 0.000 2.485 56 L HA 0.262 4.601 4.340 -0.001 0.000 0.275 56 L C 0.410 177.299 176.870 0.031 0.000 1.207 56 L CA 0.690 55.459 54.840 -0.120 0.000 0.855 56 L CB 0.360 42.194 42.059 -0.376 0.000 1.114 56 L HN 0.855 nan 8.230 nan 0.000 0.485 57 T N 7.046 121.612 114.554 0.019 0.000 2.762 57 T HA 0.525 4.874 4.350 -0.001 0.000 0.303 57 T C -0.052 174.680 174.700 0.053 0.000 0.977 57 T CA 0.002 62.127 62.100 0.042 0.000 0.961 57 T CB -0.274 68.608 68.868 0.023 0.000 0.944 57 T HN 0.385 nan 8.240 nan 0.000 0.481 58 I N 3.787 124.407 120.570 0.083 0.000 2.509 58 I HA 0.604 4.774 4.170 -0.001 0.000 0.293 58 I C -0.032 176.124 176.117 0.064 0.000 1.020 58 I CA -1.127 60.228 61.300 0.092 0.000 1.088 58 I CB 1.582 39.682 38.000 0.168 0.000 1.267 58 I HN 0.206 nan 8.210 nan 0.000 0.430 59 R N 3.838 124.345 120.500 0.012 0.000 2.673 59 R HA 0.373 4.713 4.340 -0.001 0.000 0.281 59 R C -1.047 175.193 176.300 -0.100 0.000 0.991 59 R CA -0.832 55.259 56.100 -0.015 0.000 0.896 59 R CB 2.457 32.758 30.300 0.002 0.000 1.201 59 R HN 0.668 nan 8.270 nan 0.000 0.457 60 E N 3.580 123.698 120.200 -0.136 0.000 2.200 60 E HA 0.268 4.617 4.350 -0.001 0.000 0.283 60 E C -0.231 176.355 176.600 -0.024 0.000 1.015 60 E CA -0.498 55.774 56.400 -0.213 0.000 0.819 60 E CB 0.812 30.331 29.700 -0.302 0.000 1.081 60 E HN 0.214 nan 8.360 nan 0.000 0.397 61 M N 2.468 122.099 119.600 0.051 0.000 2.513 61 M HA 0.050 4.529 4.480 -0.001 0.000 0.250 61 M C 1.097 177.527 176.300 0.217 0.000 1.145 61 M CA -0.242 55.114 55.300 0.094 0.000 0.948 61 M CB 0.484 33.104 32.600 0.033 0.000 1.405 61 M HN 0.637 nan 8.290 nan 0.000 0.546 62 Q N 0.712 120.577 119.800 0.108 0.000 2.398 62 Q HA 0.067 4.407 4.340 -0.001 0.000 0.204 62 Q C -0.173 175.740 176.000 -0.145 0.000 0.932 62 Q CA 0.659 56.540 55.803 0.130 0.000 0.916 62 Q CB 0.283 29.054 28.738 0.055 0.000 1.024 62 Q HN 0.738 nan 8.270 nan 0.000 0.504 63 S N -1.447 113.912 115.700 -0.569 0.000 2.636 63 S HA 0.313 4.783 4.470 -0.001 0.000 0.266 63 S C -0.284 173.859 174.600 -0.762 0.000 1.147 63 S CA -0.492 56.981 58.200 -1.212 0.000 0.815 63 S CB 0.720 63.592 63.200 -0.546 0.000 1.119 63 S HN -0.039 nan 8.310 nan 0.000 0.470 64 E N 0.698 120.560 120.200 -0.563 0.000 2.274 64 E HA 0.180 4.529 4.350 -0.001 0.000 0.194 64 E C 2.041 178.553 176.600 -0.147 0.000 0.996 64 E CA 1.302 57.578 56.400 -0.207 0.000 0.840 64 E CB -0.412 29.230 29.700 -0.097 0.000 0.772 64 E HN 0.686 nan 8.360 nan 0.000 0.491 65 A N 0.555 123.281 122.820 -0.157 0.000 1.898 65 A HA -0.030 4.290 4.320 -0.001 0.000 0.216 65 A C 2.395 179.940 177.584 -0.066 0.000 1.181 65 A CA 1.567 53.554 52.037 -0.084 0.000 0.620 65 A CB -1.076 17.875 19.000 -0.081 0.000 0.819 65 A HN 0.358 nan 8.150 nan 0.000 0.442 66 G N -0.458 108.281 108.800 -0.102 0.000 2.402 66 G HA2 0.027 3.987 3.960 -0.001 0.000 0.216 66 G HA3 0.027 3.987 3.960 -0.001 0.000 0.216 66 G C 1.738 176.614 174.900 -0.041 0.000 1.162 66 G CA 1.373 46.436 45.100 -0.063 0.000 0.777 66 G HN 0.767 nan 8.290 nan 0.000 0.539 67 A N 1.175 123.958 122.820 -0.062 0.000 1.902 67 A HA 0.261 4.580 4.320 -0.001 0.000 0.217 67 A C 2.799 180.357 177.584 -0.043 0.000 1.181 67 A CA 2.239 54.244 52.037 -0.053 0.000 0.623 67 A CB -0.738 18.220 19.000 -0.069 0.000 0.818 67 A HN 0.766 nan 8.150 nan 0.000 0.443 68 A N -0.567 122.235 122.820 -0.030 0.000 1.930 68 A HA 0.148 4.467 4.320 -0.001 0.000 0.217 68 A C 2.370 180.035 177.584 0.134 0.000 1.175 68 A CA 1.837 53.909 52.037 0.059 0.000 0.627 68 A CB -1.254 17.798 19.000 0.085 0.000 0.815 68 A HN 0.707 nan 8.150 nan 0.000 0.443 69 G N -0.708 108.146 108.800 0.089 0.000 2.408 69 G HA2 0.083 4.043 3.960 -0.001 0.000 0.217 69 G HA3 0.083 4.043 3.960 -0.001 0.000 0.217 69 G C 1.673 176.621 174.900 0.079 0.000 1.150 69 G CA 1.230 46.395 45.100 0.108 0.000 0.776 69 G HN 0.740 nan 8.290 nan 0.000 0.542 70 A N 0.193 123.040 122.820 0.045 0.000 1.898 70 A HA 0.139 4.458 4.320 -0.001 0.000 0.216 70 A C 2.567 180.187 177.584 0.060 0.000 1.181 70 A CA 1.564 53.618 52.037 0.028 0.000 0.620 70 A CB -0.571 18.433 19.000 0.007 0.000 0.819 70 A HN 0.213 nan 8.150 nan 0.000 0.442 71 V N -0.262 119.705 119.914 0.088 0.000 2.343 71 V HA -0.318 3.802 4.120 -0.001 0.000 0.247 71 V C 2.451 178.677 176.094 0.219 0.000 1.051 71 V CA 2.336 64.716 62.300 0.134 0.000 1.036 71 V CB -0.975 30.937 31.823 0.148 0.000 0.654 71 V HN 0.851 nan 8.190 nan 0.000 0.451 72 H N -0.182 118.962 119.070 0.123 0.000 2.353 72 H HA -0.127 4.429 4.556 -0.001 0.000 0.300 72 H C 2.256 177.635 175.328 0.086 0.000 1.090 72 H CA 1.287 57.406 56.048 0.118 0.000 1.327 72 H CB -0.106 29.723 29.762 0.113 0.000 1.383 72 H HN 0.457 nan 8.280 nan 0.000 0.508 73 G N 0.167 108.963 108.800 -0.007 0.000 2.402 73 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.216 73 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.216 73 G C 1.880 176.779 174.900 -0.002 0.000 1.162 73 G CA 0.729 45.774 45.100 -0.091 0.000 0.777 73 G HN 0.548 nan 8.290 nan 0.000 0.539 74 A N 0.578 123.426 122.820 0.046 0.000 1.877 74 A HA 0.071 4.391 4.320 -0.001 0.000 0.216 74 A C 2.450 180.103 177.584 0.115 0.000 1.186 74 A CA 1.365 53.438 52.037 0.060 0.000 0.620 74 A CB -0.453 18.587 19.000 0.066 0.000 0.822 74 A HN 0.349 nan 8.150 nan 0.000 0.443 75 L N -0.853 120.483 121.223 0.188 0.000 2.056 75 L HA -0.157 4.183 4.340 -0.001 0.000 0.207 75 L C 3.068 180.103 176.870 0.275 0.000 1.078 75 L CA 1.015 56.039 54.840 0.305 0.000 0.749 75 L CB -0.470 41.752 42.059 0.271 0.000 0.901 75 L HN 0.424 nan 8.230 nan 0.000 0.433 76 A N -0.100 122.840 122.820 0.199 0.000 1.972 76 A HA -0.091 4.228 4.320 -0.001 0.000 0.219 76 A C 2.225 179.835 177.584 0.042 0.000 1.169 76 A CA 1.567 53.690 52.037 0.143 0.000 0.635 76 A CB -0.559 18.485 19.000 0.073 0.000 0.810 76 A HN 0.385 nan 8.150 nan 0.000 0.446 77 A N -1.636 121.184 122.820 -0.000 0.000 2.302 77 A HA 0.441 4.760 4.320 -0.001 0.000 0.219 77 A C 1.535 179.038 177.584 -0.134 0.000 1.243 77 A CA 0.983 52.982 52.037 -0.063 0.000 0.856 77 A CB -1.026 17.940 19.000 -0.057 0.000 0.893 77 A HN 1.870 nan 8.150 nan 0.000 0.491 78 G N -2.076 106.588 108.800 -0.227 0.000 2.142 78 G HA2 0.174 4.134 3.960 -0.001 0.000 0.225 78 G HA3 0.174 4.134 3.960 -0.001 0.000 0.225 78 G C 0.140 174.823 174.900 -0.361 0.000 1.015 78 G CA 0.188 44.931 45.100 -0.594 0.000 0.716 78 G HN 1.682 nan 8.290 nan 0.000 0.508 79 A N 0.060 122.903 122.820 0.037 0.000 2.343 79 A HA 0.804 5.124 4.320 -0.001 0.000 0.316 79 A C 0.338 178.122 177.584 0.333 0.000 1.104 79 A CA -0.683 51.435 52.037 0.135 0.000 0.768 79 A CB 1.036 20.054 19.000 0.030 0.000 1.213 79 A HN 0.785 nan 8.150 nan 0.000 0.456 80 L N 2.363 123.751 121.223 0.275 0.000 2.513 80 L HA 0.245 4.584 4.340 -0.001 0.000 0.272 80 L C 0.102 177.042 176.870 0.118 0.000 1.187 80 L CA 0.506 55.440 54.840 0.156 0.000 0.895 80 L CB 0.302 42.450 42.059 0.149 0.000 1.147 80 L HN 0.769 nan 8.230 nan 0.000 0.483 81 T N 1.238 115.854 114.554 0.103 0.000 2.900 81 T HA 0.516 4.866 4.350 -0.001 0.000 0.295 81 T C -0.301 174.456 174.700 0.095 0.000 1.044 81 T CA -0.539 61.618 62.100 0.095 0.000 0.995 81 T CB 2.380 71.313 68.868 0.108 0.000 1.072 81 T HN 0.578 nan 8.240 nan 0.000 0.473 82 T N 0.430 115.008 114.554 0.040 0.000 2.865 82 T HA 0.809 5.158 4.350 -0.001 0.000 0.294 82 T C -1.325 173.198 174.700 -0.294 0.000 1.119 82 T CA -0.349 61.727 62.100 -0.040 0.000 1.007 82 T CB 2.161 71.072 68.868 0.070 0.000 1.225 82 T HN 0.753 nan 8.240 nan 0.000 0.515 83 T N 0.991 115.214 114.554 -0.552 0.000 2.802 83 T HA 0.712 5.061 4.350 -0.001 0.000 0.311 83 T C -2.078 172.107 174.700 -0.858 0.000 1.405 83 T CA -0.511 61.143 62.100 -0.743 0.000 1.016 83 T CB 0.707 69.183 68.868 -0.654 0.000 1.352 83 T HN 0.409 nan 8.240 nan 0.000 0.498 84 F N 1.459 121.388 119.950 -0.035 0.000 2.529 84 F HA 0.758 5.285 4.527 -0.001 0.000 0.320 84 F C 0.633 176.404 175.800 -0.047 0.000 1.118 84 F CA -0.616 57.403 58.000 0.032 0.000 0.915 84 F CB 2.453 41.503 39.000 0.083 0.000 1.161 84 F HN 0.616 nan 8.300 nan 0.000 0.445 85 T N 1.015 115.623 114.554 0.091 0.000 2.653 85 T HA 0.891 5.240 4.350 -0.001 0.000 0.306 85 T C -1.834 172.859 174.700 -0.013 0.000 1.426 85 T CA -0.173 61.937 62.100 0.017 0.000 1.008 85 T CB 1.496 70.327 68.868 -0.063 0.000 1.692 85 T HN 1.198 nan 8.240 nan 0.000 0.483 86 A N 0.188 122.994 122.820 -0.025 0.000 2.544 86 A HA 0.772 5.092 4.320 -0.001 0.000 0.291 86 A C 0.664 178.229 177.584 -0.031 0.000 1.055 86 A CA 0.685 52.693 52.037 -0.048 0.000 0.651 86 A CB 0.348 19.310 19.000 -0.064 0.000 1.296 86 A HN 2.010 nan 8.150 nan 0.000 0.431 87 S N -0.772 114.904 115.700 -0.040 0.000 4.135 87 S HA -0.371 4.099 4.470 -0.001 0.000 0.538 87 S C 1.740 176.334 174.600 -0.010 0.000 1.522 87 S CA 2.533 60.718 58.200 -0.024 0.000 3.869 87 S CB -1.026 62.166 63.200 -0.013 0.000 1.628 87 S HN 1.172 nan 8.310 nan 0.000 0.492 88 Q N 0.903 120.710 119.800 0.011 0.000 2.152 88 Q HA -0.081 4.259 4.340 -0.001 0.000 0.206 88 Q C 2.369 178.386 176.000 0.029 0.000 0.985 88 Q CA 2.073 57.893 55.803 0.028 0.000 0.863 88 Q CB -1.392 27.384 28.738 0.063 0.000 0.904 88 Q HN 0.813 nan 8.270 nan 0.000 0.422 89 G N 0.836 109.657 108.800 0.036 0.000 2.394 89 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.215 89 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.215 89 G C 1.479 176.371 174.900 -0.013 0.000 1.165 89 G CA 0.564 45.680 45.100 0.026 0.000 0.784 89 G HN 0.313 nan 8.290 nan 0.000 0.535 90 L N 0.705 121.915 121.223 -0.022 0.000 2.083 90 L HA 0.097 4.436 4.340 -0.001 0.000 0.209 90 L C 2.693 179.542 176.870 -0.035 0.000 1.083 90 L CA 1.249 56.068 54.840 -0.035 0.000 0.752 90 L CB -0.434 41.592 42.059 -0.056 0.000 0.899 90 L HN 0.185 nan 8.230 nan 0.000 0.433 91 L N -1.241 119.965 121.223 -0.028 0.000 2.042 91 L HA -0.264 4.076 4.340 -0.001 0.000 0.210 91 L C 2.446 179.309 176.870 -0.013 0.000 1.076 91 L CA 1.309 56.136 54.840 -0.021 0.000 0.749 91 L CB -0.665 41.387 42.059 -0.011 0.000 0.893 91 L HN 0.309 nan 8.230 nan 0.000 0.432 92 L N -0.936 120.278 121.223 -0.015 0.000 2.362 92 L HA -0.169 4.171 4.340 -0.001 0.000 0.219 92 L C 2.402 179.266 176.870 -0.010 0.000 1.134 92 L CA 0.925 55.752 54.840 -0.021 0.000 0.807 92 L CB -0.284 41.747 42.059 -0.047 0.000 0.927 92 L HN 0.405 nan 8.230 nan 0.000 0.447 93 M N -1.096 118.503 119.600 -0.002 0.000 2.514 93 M HA -0.041 4.439 4.480 -0.001 0.000 0.258 93 M C 2.156 178.477 176.300 0.036 0.000 1.119 93 M CA 0.804 56.127 55.300 0.039 0.000 1.111 93 M CB 0.050 32.701 32.600 0.084 0.000 1.390 93 M HN 0.166 nan 8.290 nan 0.000 0.475 94 I N 1.109 121.677 120.570 -0.004 0.000 2.143 94 I HA -0.294 3.875 4.170 -0.001 0.000 0.245 94 I C -0.636 175.553 176.117 0.119 0.000 1.068 94 I CA 1.989 63.282 61.300 -0.013 0.000 1.326 94 I CB -1.824 36.184 38.000 0.013 0.000 1.028 94 I HN 0.164 nan 8.210 nan 0.000 0.412 95 P HA -0.130 nan 4.420 nan 0.000 0.215 95 P C 1.262 178.667 177.300 0.174 0.000 1.153 95 P CA 1.406 64.611 63.100 0.174 0.000 0.853 95 P CB -0.090 31.659 31.700 0.081 0.000 0.788 96 N N -1.467 117.310 118.700 0.128 0.000 2.396 96 N HA 0.009 4.748 4.740 -0.001 0.000 0.180 96 N C 1.608 177.178 175.510 0.099 0.000 1.028 96 N CA 0.897 54.024 53.050 0.128 0.000 0.893 96 N CB -0.287 38.301 38.487 0.169 0.000 0.967 96 N HN 0.201 nan 8.380 nan 0.000 0.440 97 M N -0.620 119.005 119.600 0.043 0.000 2.117 97 M HA -0.179 4.300 4.480 -0.001 0.000 0.262 97 M C 1.640 177.992 176.300 0.088 0.000 1.065 97 M CA 1.469 56.732 55.300 -0.061 0.000 1.114 97 M CB -0.496 31.767 32.600 -0.561 0.000 1.361 97 M HN 0.112 nan 8.290 nan 0.000 0.408 98 Y N 0.561 120.869 120.300 0.014 0.000 2.207 98 Y HA -0.245 4.304 4.550 -0.001 0.000 0.287 98 Y C 2.564 178.464 175.900 -0.001 0.000 1.156 98 Y CA 1.180 59.294 58.100 0.022 0.000 1.182 98 Y CB -0.239 38.226 38.460 0.008 0.000 0.979 98 Y HN 0.079 nan 8.280 nan 0.000 0.521 99 K N 0.162 120.634 120.400 0.119 0.000 2.062 99 K HA -0.100 4.220 4.320 -0.001 0.000 0.205 99 K C 2.005 178.476 176.600 -0.216 0.000 1.051 99 K CA 1.233 57.479 56.287 -0.068 0.000 0.941 99 K CB -0.536 31.863 32.500 -0.169 0.000 0.719 99 K HN 0.386 nan 8.250 nan 0.000 0.440 100 I N 1.443 121.899 120.570 -0.191 0.000 2.286 100 I HA -0.268 3.901 4.170 -0.001 0.000 0.248 100 I C 2.448 178.469 176.117 -0.160 0.000 1.115 100 I CA 1.409 62.602 61.300 -0.179 0.000 1.392 100 I CB -0.265 37.725 38.000 -0.018 0.000 1.065 100 I HN 0.153 nan 8.210 nan 0.000 0.418 101 S N 0.406 116.056 115.700 -0.084 0.000 2.406 101 S HA 0.004 4.474 4.470 -0.001 0.000 0.224 101 S C 2.173 176.764 174.600 -0.015 0.000 1.030 101 S CA 0.647 58.781 58.200 -0.111 0.000 0.958 101 S CB -0.896 62.312 63.200 0.014 0.000 0.811 101 S HN 0.419 nan 8.310 nan 0.000 0.489 102 G N 1.332 110.147 108.800 0.025 0.000 2.432 102 G HA2 -0.108 3.852 3.960 -0.001 0.000 0.219 102 G HA3 -0.108 3.852 3.960 -0.001 0.000 0.219 102 G C 1.215 176.110 174.900 -0.008 0.000 1.135 102 G CA 0.601 45.722 45.100 0.035 0.000 0.767 102 G HN 0.649 nan 8.290 nan 0.000 0.550 103 E N -0.057 120.123 120.200 -0.034 0.000 2.444 103 E HA 0.324 4.674 4.350 -0.001 0.000 0.191 103 E C 0.286 176.843 176.600 -0.073 0.000 1.041 103 E CA -0.459 55.928 56.400 -0.021 0.000 0.883 103 E CB -0.032 29.693 29.700 0.041 0.000 1.024 103 E HN 0.269 nan 8.360 nan 0.000 0.470 104 L N 1.453 122.594 121.223 -0.137 0.000 3.895 104 L HA -0.243 4.097 4.340 -0.001 0.000 0.511 104 L C -0.698 176.073 176.870 -0.164 0.000 1.222 104 L CA 0.344 55.049 54.840 -0.224 0.000 0.739 104 L CB -1.424 40.407 42.059 -0.381 0.000 1.425 104 L HN 0.309 nan 8.230 nan 0.000 0.817 105 L N 2.431 123.561 121.223 -0.155 0.000 2.317 105 L HA 0.438 4.778 4.340 -0.001 0.000 0.281 105 L C -1.422 175.306 176.870 -0.237 0.000 1.024 105 L CA -1.688 53.091 54.840 -0.102 0.000 0.810 105 L CB 1.567 43.629 42.059 0.005 0.000 1.240 105 L HN -0.057 nan 8.230 nan 0.000 0.427 106 P HA 0.054 nan 4.420 nan 0.000 0.232 106 P C 0.153 177.277 177.300 -0.294 0.000 1.738 106 P CA 0.040 62.919 63.100 -0.369 0.000 0.948 106 P CB 0.005 31.364 31.700 -0.568 0.000 1.943 107 G N 0.092 108.742 108.800 -0.251 0.000 2.451 107 G HA2 0.483 4.442 3.960 -0.001 0.000 0.303 107 G HA3 0.483 4.442 3.960 -0.001 0.000 0.303 107 G C -0.952 173.860 174.900 -0.145 0.000 1.166 107 G CA -0.350 44.678 45.100 -0.120 0.000 0.884 107 G HN 0.134 nan 8.290 nan 0.000 0.514 108 V N 1.159 121.056 119.914 -0.028 0.000 2.525 108 V HA 0.402 4.521 4.120 -0.001 0.000 0.299 108 V C -0.875 175.298 176.094 0.133 0.000 1.034 108 V CA -0.595 61.624 62.300 -0.134 0.000 0.863 108 V CB 1.364 32.763 31.823 -0.707 0.000 0.999 108 V HN 0.660 nan 8.190 nan 0.000 0.423 109 F N 2.904 122.781 119.950 -0.121 0.000 2.427 109 F HA 0.521 5.047 4.527 -0.001 0.000 0.346 109 F C 0.370 176.055 175.800 -0.192 0.000 1.120 109 F CA -0.713 57.220 58.000 -0.113 0.000 1.033 109 F CB 1.401 40.405 39.000 0.007 0.000 1.126 109 F HN 0.552 nan 8.300 nan 0.000 0.462 110 H N 2.224 121.439 119.070 0.242 0.000 2.556 110 H HA 0.446 5.002 4.556 -0.001 0.000 0.310 110 H C -0.789 174.641 175.328 0.170 0.000 1.057 110 H CA -0.550 55.691 56.048 0.323 0.000 1.264 110 H CB 1.449 31.540 29.762 0.549 0.000 1.404 110 H HN 0.229 nan 8.280 nan 0.000 0.462 111 V N 3.370 123.350 119.914 0.111 0.000 2.448 111 V HA 0.215 4.334 4.120 -0.001 0.000 0.295 111 V C 0.166 176.016 176.094 -0.405 0.000 1.025 111 V CA -0.974 61.282 62.300 -0.073 0.000 0.859 111 V CB 1.749 33.554 31.823 -0.030 0.000 0.988 111 V HN 0.911 nan 8.190 nan 0.000 0.431 112 T N 2.062 116.366 114.554 -0.417 0.000 2.794 112 T HA 0.635 4.985 4.350 -0.001 0.000 0.304 112 T C 0.261 174.812 174.700 -0.247 0.000 0.973 112 T CA -0.229 61.535 62.100 -0.561 0.000 0.972 112 T CB 0.851 69.501 68.868 -0.363 0.000 0.952 112 T HN 0.986 nan 8.240 nan 0.000 0.509 113 A N 4.354 127.075 122.820 -0.165 0.000 2.545 113 A HA 0.449 4.769 4.320 -0.001 0.000 0.253 113 A C 0.656 178.246 177.584 0.011 0.000 1.074 113 A CA -0.359 51.650 52.037 -0.046 0.000 0.760 113 A CB -0.085 18.962 19.000 0.079 0.000 1.005 113 A HN 1.000 nan 8.150 nan 0.000 0.506 114 R N 2.488 122.983 120.500 -0.009 0.000 2.725 114 R HA 0.634 4.973 4.340 -0.001 0.000 0.277 114 R C -0.155 176.156 176.300 0.019 0.000 0.987 114 R CA -0.252 55.863 56.100 0.025 0.000 0.901 114 R CB 1.543 31.843 30.300 -0.000 0.000 1.207 114 R HN 0.933 nan 8.270 nan 0.000 0.463 115 A N 3.929 126.775 122.820 0.044 0.000 2.507 115 A HA 0.244 4.563 4.320 -0.001 0.000 0.235 115 A C 0.120 177.712 177.584 0.014 0.000 1.070 115 A CA -0.109 51.947 52.037 0.031 0.000 0.768 115 A CB 0.095 19.127 19.000 0.054 0.000 1.011 115 A HN 0.511 nan 8.150 nan 0.000 0.502 116 I N 0.882 121.457 120.570 0.009 0.000 2.499 116 I HA 0.387 4.557 4.170 -0.001 0.000 0.296 116 I C 0.992 177.104 176.117 -0.008 0.000 0.992 116 I CA -0.510 60.790 61.300 0.000 0.000 1.297 116 I CB 0.959 38.960 38.000 0.002 0.000 1.410 116 I HN 0.706 nan 8.210 nan 0.000 0.507 117 A N 4.383 127.190 122.820 -0.020 0.000 2.404 117 A HA 0.624 4.944 4.320 -0.001 0.000 0.273 117 A C 0.432 177.991 177.584 -0.041 0.000 1.144 117 A CA 0.466 52.474 52.037 -0.048 0.000 0.806 117 A CB 0.208 19.181 19.000 -0.045 0.000 1.080 117 A HN 0.986 nan 8.150 nan 0.000 0.509 118 A N 1.973 124.758 122.820 -0.058 0.000 2.017 118 A HA 0.376 4.696 4.320 -0.001 0.000 0.194 118 A C 1.598 179.181 177.584 -0.002 0.000 1.985 118 A CA 0.529 52.569 52.037 0.004 0.000 1.584 118 A CB -0.532 18.516 19.000 0.081 0.000 1.244 118 A HN 1.048 nan 8.150 nan 0.000 0.587 119 H N 0.409 119.497 119.070 0.031 0.000 2.491 119 H HA 0.429 4.985 4.556 -0.001 0.000 0.290 119 H C 0.433 175.802 175.328 0.068 0.000 1.050 119 H CA 1.475 57.556 56.048 0.055 0.000 1.309 119 H CB -0.226 29.570 29.762 0.057 0.000 1.392 119 H HN 0.725 nan 8.280 nan 0.000 0.554 120 A N 0.690 123.036 122.820 -0.790 0.000 2.610 120 A HA 0.514 4.833 4.320 -0.001 0.000 0.291 120 A C -1.357 176.046 177.584 -0.301 0.000 1.086 120 A CA -0.801 50.943 52.037 -0.489 0.000 0.677 120 A CB 1.248 19.917 19.000 -0.552 0.000 1.278 120 A HN 0.282 nan 8.150 nan 0.000 0.414 121 L N 0.834 121.969 121.223 -0.146 0.000 2.334 121 L HA 0.784 5.123 4.340 -0.001 0.000 0.277 121 L C -0.047 176.797 176.870 -0.042 0.000 1.075 121 L CA -0.074 54.720 54.840 -0.077 0.000 0.804 121 L CB 1.531 43.568 42.059 -0.038 0.000 1.174 121 L HN 0.768 nan 8.230 nan 0.000 0.438 122 S N 3.983 119.679 115.700 -0.007 0.000 2.571 122 S HA 0.397 4.867 4.470 -0.001 0.000 0.284 122 S C 0.385 175.000 174.600 0.025 0.000 1.128 122 S CA -0.855 57.384 58.200 0.066 0.000 0.970 122 S CB 1.394 64.666 63.200 0.121 0.000 1.039 122 S HN 0.685 nan 8.310 nan 0.000 0.485 123 I N 1.058 121.588 120.570 -0.067 0.000 3.793 123 I HA 0.440 4.609 4.170 -0.001 0.000 0.315 123 I C -0.335 175.679 176.117 -0.172 0.000 1.275 123 I CA -0.204 60.996 61.300 -0.167 0.000 1.214 123 I CB -0.170 37.663 38.000 -0.278 0.000 1.018 123 I HN 0.302 nan 8.210 nan 0.000 0.439 124 F N 2.267 122.294 119.950 0.128 0.000 2.368 124 F HA 0.592 5.119 4.527 -0.001 0.000 0.308 124 F C 1.510 177.405 175.800 0.158 0.000 1.198 124 F CA -0.383 57.725 58.000 0.180 0.000 1.130 124 F CB 0.260 39.285 39.000 0.042 0.000 1.300 124 F HN -0.122 nan 8.300 nan 0.000 0.537 125 G N 0.659 109.716 108.800 0.428 0.000 2.355 125 G HA2 0.479 4.439 3.960 -0.001 0.000 0.276 125 G HA3 0.479 4.439 3.960 -0.001 0.000 0.276 125 G C -1.359 173.600 174.900 0.099 0.000 1.198 125 G CA -0.139 45.105 45.100 0.240 0.000 0.876 125 G HN 0.711 nan 8.290 nan 0.000 0.478 126 D N -0.829 119.602 120.400 0.051 0.000 2.738 126 D HA 0.075 4.714 4.640 -0.001 0.000 0.308 126 D C -0.188 176.135 176.300 0.037 0.000 1.311 126 D CA -0.767 53.182 54.000 -0.085 0.000 0.799 126 D CB 0.137 40.861 40.800 -0.126 0.000 1.332 126 D HN 0.392 nan 8.370 nan 0.000 0.441 127 H N -0.634 118.346 119.070 -0.149 0.000 2.517 127 H HA 0.189 4.745 4.556 -0.001 0.000 0.282 127 H C 0.878 176.093 175.328 -0.189 0.000 1.023 127 H CA -0.070 55.809 56.048 -0.281 0.000 1.169 127 H CB 0.624 30.087 29.762 -0.498 0.000 1.454 127 H HN 0.283 nan 8.280 nan 0.000 0.556 128 Q N 0.990 120.818 119.800 0.047 0.000 2.135 128 Q HA -0.177 4.163 4.340 -0.001 0.000 0.204 128 Q C 1.700 177.703 176.000 0.006 0.000 0.981 128 Q CA 1.732 57.572 55.803 0.063 0.000 0.856 128 Q CB 0.089 28.845 28.738 0.030 0.000 0.902 128 Q HN 0.666 nan 8.270 nan 0.000 0.425 129 D N 0.944 121.311 120.400 -0.054 0.000 2.091 129 D HA -0.180 4.460 4.640 -0.001 0.000 0.199 129 D C 1.890 178.086 176.300 -0.173 0.000 0.980 129 D CA 1.292 55.237 54.000 -0.091 0.000 0.831 129 D CB -0.629 40.119 40.800 -0.087 0.000 0.987 129 D HN 0.442 nan 8.370 nan 0.000 0.460 130 I N -2.155 118.216 120.570 -0.332 0.000 2.361 130 I HA -0.140 4.029 4.170 -0.001 0.000 0.251 130 I C 2.278 178.171 176.117 -0.373 0.000 1.133 130 I CA 0.984 61.978 61.300 -0.509 0.000 1.413 130 I CB -1.113 36.251 38.000 -1.060 0.000 1.073 130 I HN -0.079 nan 8.210 nan 0.000 0.424 131 Y N 1.240 121.388 120.300 -0.254 0.000 2.373 131 Y HA 0.075 4.625 4.550 -0.001 0.000 0.293 131 Y C 2.697 178.538 175.900 -0.098 0.000 1.129 131 Y CA 0.406 58.416 58.100 -0.150 0.000 1.226 131 Y CB -0.183 38.209 38.460 -0.113 0.000 1.000 131 Y HN 0.273 nan 8.280 nan 0.000 0.549 132 A N -0.109 122.737 122.820 0.044 0.000 2.121 132 A HA 0.018 4.338 4.320 -0.001 0.000 0.218 132 A C 1.968 179.528 177.584 -0.041 0.000 1.154 132 A CA 1.456 53.496 52.037 0.005 0.000 0.679 132 A CB -0.582 18.409 19.000 -0.014 0.000 0.795 132 A HN 0.336 nan 8.150 nan 0.000 0.458 133 A N -0.164 122.601 122.820 -0.091 0.000 2.503 133 A HA 0.264 4.584 4.320 -0.001 0.000 0.263 133 A C 1.632 179.124 177.584 -0.154 0.000 1.258 133 A CA 0.314 52.247 52.037 -0.174 0.000 0.936 133 A CB -0.311 18.530 19.000 -0.266 0.000 1.070 133 A HN 0.615 nan 8.150 nan 0.000 0.522 134 R N 0.285 120.767 120.500 -0.029 0.000 2.293 134 R HA -0.116 4.223 4.340 -0.001 0.000 0.219 134 R C 1.280 177.561 176.300 -0.032 0.000 1.091 134 R CA 1.454 57.581 56.100 0.045 0.000 1.004 134 R CB -0.098 30.346 30.300 0.240 0.000 0.865 134 R HN 0.482 nan 8.270 nan 0.000 0.469 135 Q N 1.171 120.917 119.800 -0.088 0.000 2.282 135 Q HA 0.011 4.351 4.340 -0.001 0.000 0.206 135 Q C 0.962 176.797 176.000 -0.276 0.000 0.878 135 Q CA 1.056 56.800 55.803 -0.098 0.000 0.944 135 Q CB 0.351 29.091 28.738 0.003 0.000 1.100 135 Q HN 0.376 nan 8.270 nan 0.000 0.509 136 T N -3.083 111.187 114.554 -0.474 0.000 3.072 136 T HA 0.242 4.591 4.350 -0.001 0.000 0.266 136 T C 1.427 175.942 174.700 -0.310 0.000 1.127 136 T CA 0.956 62.560 62.100 -0.826 0.000 1.107 136 T CB -0.160 68.267 68.868 -0.735 0.000 0.910 136 T HN 0.541 nan 8.240 nan 0.000 0.513 137 G N 0.372 109.109 108.800 -0.106 0.000 2.175 137 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.244 137 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.244 137 G C -0.167 174.845 174.900 0.186 0.000 0.982 137 G CA -0.344 44.781 45.100 0.042 0.000 0.641 137 G HN 0.486 nan 8.290 nan 0.000 0.527 138 F N 1.835 121.682 119.950 -0.172 0.000 2.389 138 F HA 0.678 5.204 4.527 -0.001 0.000 0.337 138 F C 1.043 176.689 175.800 -0.256 0.000 1.112 138 F CA -0.193 57.658 58.000 -0.249 0.000 1.192 138 F CB 1.241 40.052 39.000 -0.316 0.000 1.185 138 F HN 0.336 nan 8.300 nan 0.000 0.552 139 A N 4.756 127.337 122.820 -0.400 0.000 2.351 139 A HA 0.620 4.939 4.320 -0.001 0.000 0.257 139 A C -0.474 176.946 177.584 -0.274 0.000 1.087 139 A CA -0.388 51.300 52.037 -0.582 0.000 0.798 139 A CB 0.203 18.210 19.000 -1.655 0.000 1.033 139 A HN 0.774 nan 8.150 nan 0.000 0.488 140 M N 1.948 121.526 119.600 -0.036 0.000 2.106 140 M HA 0.347 4.826 4.480 -0.001 0.000 0.288 140 M C -1.327 175.175 176.300 0.337 0.000 0.941 140 M CA -0.327 55.133 55.300 0.266 0.000 0.934 140 M CB 1.738 34.569 32.600 0.386 0.000 1.551 140 M HN 0.535 nan 8.290 nan 0.000 0.437 141 L N 3.449 124.875 121.223 0.338 0.000 2.305 141 L HA 0.860 5.199 4.340 -0.001 0.000 0.284 141 L C -0.590 176.177 176.870 -0.171 0.000 1.013 141 L CA -0.154 54.786 54.840 0.166 0.000 0.819 141 L CB 1.449 43.662 42.059 0.257 0.000 1.227 141 L HN 0.772 nan 8.230 nan 0.000 0.417 142 A N 3.333 125.899 122.820 -0.424 0.000 2.306 142 A HA 0.796 5.115 4.320 -0.001 0.000 0.314 142 A C -0.334 177.059 177.584 -0.318 0.000 1.164 142 A CA -0.199 51.301 52.037 -0.895 0.000 0.822 142 A CB 0.686 19.206 19.000 -0.800 0.000 1.130 142 A HN 0.790 nan 8.150 nan 0.000 0.496 143 S N 0.517 116.096 115.700 -0.202 0.000 2.503 143 S HA 0.574 5.044 4.470 -0.001 0.000 0.301 143 S C 0.314 174.942 174.600 0.047 0.000 1.087 143 S CA 0.097 58.300 58.200 0.004 0.000 1.042 143 S CB 1.630 64.936 63.200 0.177 0.000 1.043 143 S HN 1.406 nan 8.310 nan 0.000 0.489 144 S N 0.178 115.930 115.700 0.086 0.000 2.578 144 S HA 0.449 4.918 4.470 -0.001 0.000 0.231 144 S C 0.301 174.987 174.600 0.143 0.000 0.994 144 S CA 0.140 58.420 58.200 0.134 0.000 0.956 144 S CB -0.668 62.616 63.200 0.140 0.000 0.870 144 S HN 1.429 nan 8.310 nan 0.000 0.494 145 S N -0.915 114.859 115.700 0.123 0.000 2.588 145 S HA 0.527 4.996 4.470 -0.001 0.000 0.269 145 S C 0.562 175.206 174.600 0.074 0.000 1.157 145 S CA -0.311 57.954 58.200 0.109 0.000 0.824 145 S CB 0.805 64.070 63.200 0.108 0.000 1.126 145 S HN -0.001 nan 8.310 nan 0.000 0.464 146 V N 1.320 121.272 119.914 0.063 0.000 2.332 146 V HA -0.181 3.938 4.120 -0.001 0.000 0.248 146 V C 2.904 179.020 176.094 0.037 0.000 1.055 146 V CA 2.651 64.966 62.300 0.025 0.000 1.038 146 V CB -1.079 30.770 31.823 0.044 0.000 0.651 146 V HN 0.986 nan 8.190 nan 0.000 0.450 147 Q N 0.321 120.164 119.800 0.071 0.000 2.124 147 Q HA -0.206 4.133 4.340 -0.001 0.000 0.202 147 Q C 2.073 178.156 176.000 0.138 0.000 0.977 147 Q CA 1.931 57.789 55.803 0.092 0.000 0.850 147 Q CB -0.259 28.543 28.738 0.106 0.000 0.901 147 Q HN 0.707 nan 8.270 nan 0.000 0.429 148 E N -0.678 119.596 120.200 0.123 0.000 2.152 148 E HA -0.091 4.258 4.350 -0.001 0.000 0.192 148 E C 1.874 178.486 176.600 0.020 0.000 0.983 148 E CA 0.613 57.061 56.400 0.080 0.000 0.818 148 E CB -0.152 29.594 29.700 0.078 0.000 0.758 148 E HN 0.490 nan 8.360 nan 0.000 0.467 149 A N 1.764 124.593 122.820 0.014 0.000 1.917 149 A HA -0.269 4.051 4.320 -0.001 0.000 0.219 149 A C 2.090 179.655 177.584 -0.032 0.000 1.182 149 A CA 1.849 53.871 52.037 -0.025 0.000 0.633 149 A CB -0.845 17.905 19.000 -0.416 0.000 0.819 149 A HN 0.369 nan 8.150 nan 0.000 0.448 150 H N 0.226 119.254 119.070 -0.070 0.000 2.293 150 H HA -0.146 4.410 4.556 -0.001 0.000 0.300 150 H C 1.463 176.759 175.328 -0.053 0.000 1.082 150 H CA 2.073 58.102 56.048 -0.030 0.000 1.308 150 H CB -0.269 29.499 29.762 0.011 0.000 1.375 150 H HN 0.410 nan 8.280 nan 0.000 0.495 151 D N 0.529 121.010 120.400 0.134 0.000 2.097 151 D HA -0.143 4.497 4.640 -0.001 0.000 0.195 151 D C 2.459 178.638 176.300 -0.201 0.000 0.989 151 D CA 0.963 54.986 54.000 0.039 0.000 0.827 151 D CB -0.193 40.681 40.800 0.123 0.000 0.966 151 D HN 0.344 nan 8.370 nan 0.000 0.456 152 M N 0.617 120.035 119.600 -0.304 0.000 2.229 152 M HA 0.002 4.482 4.480 -0.001 0.000 0.264 152 M C 2.297 178.275 176.300 -0.537 0.000 1.063 152 M CA 0.651 55.720 55.300 -0.384 0.000 1.114 152 M CB -1.196 31.239 32.600 -0.274 0.000 1.387 152 M HN -0.035 nan 8.290 nan 0.000 0.420 153 A N 0.365 122.759 122.820 -0.710 0.000 1.908 153 A HA -0.149 4.171 4.320 -0.001 0.000 0.218 153 A C 2.341 179.864 177.584 -0.101 0.000 1.181 153 A CA 1.297 53.075 52.037 -0.431 0.000 0.627 153 A CB -0.883 17.975 19.000 -0.237 0.000 0.818 153 A HN 0.463 nan 8.150 nan 0.000 0.445 154 L N -0.275 120.823 121.223 -0.208 0.000 2.027 154 L HA -0.125 4.215 4.340 -0.001 0.000 0.206 154 L C 2.506 179.262 176.870 -0.190 0.000 1.074 154 L CA 1.444 56.182 54.840 -0.169 0.000 0.745 154 L CB -0.329 41.615 42.059 -0.191 0.000 0.898 154 L HN 0.284 nan 8.230 nan 0.000 0.433 155 V N 0.350 120.140 119.914 -0.208 0.000 2.287 155 V HA -0.324 3.796 4.120 -0.001 0.000 0.248 155 V C 2.844 178.675 176.094 -0.439 0.000 1.053 155 V CA 1.754 63.910 62.300 -0.239 0.000 1.027 155 V CB -1.127 30.600 31.823 -0.160 0.000 0.646 155 V HN 0.574 nan 8.190 nan 0.000 0.447 156 A N -0.904 121.652 122.820 -0.440 0.000 1.892 156 A HA -0.306 4.014 4.320 -0.001 0.000 0.218 156 A C 2.152 179.282 177.584 -0.757 0.000 1.188 156 A CA 2.253 53.869 52.037 -0.701 0.000 0.631 156 A CB -0.888 17.930 19.000 -0.303 0.000 0.822 156 A HN 0.689 nan 8.150 nan 0.000 0.447 157 H N -0.532 118.296 119.070 -0.403 0.000 2.326 157 H HA -0.038 4.518 4.556 -0.001 0.000 0.301 157 H C 2.180 177.241 175.328 -0.446 0.000 1.081 157 H CA 1.771 57.618 56.048 -0.334 0.000 1.334 157 H CB -0.285 29.354 29.762 -0.205 0.000 1.385 157 H HN 0.431 nan 8.280 nan 0.000 0.504 158 L N 0.139 121.098 121.223 -0.439 0.000 2.017 158 L HA -0.136 4.204 4.340 -0.001 0.000 0.208 158 L C 2.944 179.290 176.870 -0.874 0.000 1.073 158 L CA 1.031 55.421 54.840 -0.751 0.000 0.745 158 L CB -0.474 40.911 42.059 -1.122 0.000 0.894 158 L HN 0.194 nan 8.230 nan 0.000 0.432 159 A N -0.114 122.215 122.820 -0.817 0.000 1.930 159 A HA -0.093 4.226 4.320 -0.001 0.000 0.217 159 A C 2.525 179.860 177.584 -0.415 0.000 1.175 159 A CA 1.525 53.241 52.037 -0.535 0.000 0.627 159 A CB -0.631 17.993 19.000 -0.628 0.000 0.815 159 A HN 0.389 nan 8.150 nan 0.000 0.443 160 A N 0.075 122.537 122.820 -0.596 0.000 1.902 160 A HA -0.073 4.247 4.320 -0.001 0.000 0.217 160 A C 2.101 179.551 177.584 -0.222 0.000 1.181 160 A CA 1.501 53.386 52.037 -0.253 0.000 0.623 160 A CB -0.581 18.253 19.000 -0.277 0.000 0.818 160 A HN 0.488 nan 8.150 nan 0.000 0.443 161 I N -0.821 119.591 120.570 -0.265 0.000 2.226 161 I HA -0.240 3.930 4.170 -0.001 0.000 0.245 161 I C 2.585 178.632 176.117 -0.116 0.000 1.100 161 I CA 1.874 63.042 61.300 -0.220 0.000 1.374 161 I CB -0.224 37.670 38.000 -0.177 0.000 1.057 161 I HN 0.532 nan 8.210 nan 0.000 0.413 162 E N 0.606 120.761 120.200 -0.076 0.000 2.112 162 E HA -0.166 4.183 4.350 -0.001 0.000 0.190 162 E C 2.242 178.879 176.600 0.062 0.000 0.979 162 E CA 1.267 57.693 56.400 0.042 0.000 0.814 162 E CB 0.145 29.949 29.700 0.173 0.000 0.762 162 E HN 0.480 nan 8.360 nan 0.000 0.460 163 S N -0.027 115.703 115.700 0.050 0.000 2.425 163 S HA -0.041 4.429 4.470 -0.001 0.000 0.225 163 S C 1.041 175.685 174.600 0.074 0.000 1.024 163 S CA 0.656 58.905 58.200 0.082 0.000 0.951 163 S CB 0.037 63.305 63.200 0.113 0.000 0.796 163 S HN 0.356 nan 8.310 nan 0.000 0.498 164 N N -0.050 118.635 118.700 -0.025 0.000 2.925 164 N HA -0.116 4.623 4.740 -0.001 0.000 0.244 164 N C -1.056 174.323 175.510 -0.218 0.000 1.000 164 N CA 0.829 53.811 53.050 -0.113 0.000 0.895 164 N CB -1.483 36.953 38.487 -0.085 0.000 1.119 164 N HN 0.390 nan 8.380 nan 0.000 0.569 165 V N 2.517 122.306 119.914 -0.208 0.000 2.398 165 V HA 0.382 4.502 4.120 -0.001 0.000 0.286 165 V C -1.766 174.123 176.094 -0.341 0.000 1.026 165 V CA -1.226 60.845 62.300 -0.381 0.000 0.868 165 V CB 1.967 33.459 31.823 -0.551 0.000 0.982 165 V HN -0.055 nan 8.190 nan 0.000 0.443 166 P HA 0.182 nan 4.420 nan 0.000 0.269 166 P C -1.133 175.724 177.300 -0.739 0.000 1.209 166 P CA 0.008 62.621 63.100 -0.812 0.000 0.776 166 P CB 0.652 31.367 31.700 -1.640 0.000 0.876 167 F N 1.288 120.907 119.950 -0.551 0.000 2.508 167 F HA 0.504 5.030 4.527 -0.001 0.000 0.325 167 F C 0.821 176.645 175.800 0.041 0.000 1.090 167 F CA -0.871 56.999 58.000 -0.216 0.000 0.945 167 F CB 2.010 40.896 39.000 -0.189 0.000 1.156 167 F HN 0.158 nan 8.300 nan 0.000 0.463 168 M N 4.570 124.373 119.600 0.338 0.000 2.044 168 M HA 0.306 4.786 4.480 -0.001 0.000 0.333 168 M C -1.611 174.939 176.300 0.417 0.000 1.004 168 M CA -0.624 54.880 55.300 0.341 0.000 0.954 168 M CB 0.412 33.144 32.600 0.220 0.000 1.468 168 M HN 0.721 nan 8.290 nan 0.000 0.414 169 H N 6.330 125.558 119.070 0.264 0.000 2.552 169 H HA 0.553 5.108 4.556 -0.001 0.000 0.311 169 H C -1.913 173.661 175.328 0.409 0.000 1.071 169 H CA -0.389 55.837 56.048 0.296 0.000 1.307 169 H CB 0.435 30.382 29.762 0.308 0.000 1.416 169 H HN 0.577 nan 8.280 nan 0.000 0.464 170 F N 4.322 124.152 119.950 -0.200 0.000 2.588 170 F HA 0.692 5.218 4.527 -0.001 0.000 0.314 170 F C -1.930 173.813 175.800 -0.096 0.000 1.069 170 F CA -1.468 56.367 58.000 -0.275 0.000 0.931 170 F CB 1.276 40.129 39.000 -0.246 0.000 1.260 170 F HN 0.378 nan 8.300 nan 0.000 0.465 171 F N -1.086 118.818 119.950 -0.077 0.000 2.645 171 F HA 0.555 5.082 4.527 -0.001 0.000 0.310 171 F C -1.250 174.641 175.800 0.151 0.000 1.102 171 F CA -1.435 56.558 58.000 -0.012 0.000 0.952 171 F CB 0.899 39.892 39.000 -0.012 0.000 1.326 171 F HN 0.332 nan 8.300 nan 0.000 0.456 172 D N 1.521 122.121 120.400 0.334 0.000 2.425 172 D HA 0.298 4.937 4.640 -0.001 0.000 0.247 172 D C 0.508 176.946 176.300 0.230 0.000 1.147 172 D CA 0.397 54.566 54.000 0.283 0.000 0.879 172 D CB 1.278 42.263 40.800 0.309 0.000 1.179 172 D HN 0.989 nan 8.370 nan 0.000 0.456 173 G N 1.399 110.291 108.800 0.152 0.000 2.305 173 G HA2 0.180 4.139 3.960 -0.001 0.000 0.243 173 G HA3 0.180 4.139 3.960 -0.001 0.000 0.243 173 G C 0.455 175.547 174.900 0.321 0.000 1.288 173 G CA -0.179 44.986 45.100 0.107 0.000 0.901 173 G HN 0.486 nan 8.290 nan 0.000 0.516 174 F N 0.316 120.421 119.950 0.258 0.000 2.575 174 F HA -0.349 4.178 4.527 -0.001 0.000 0.673 174 F C 2.403 178.510 175.800 0.510 0.000 0.487 174 F CA 2.382 60.584 58.000 0.336 0.000 0.705 174 F CB -1.067 38.117 39.000 0.306 0.000 1.604 174 F HN 0.529 nan 8.300 nan 0.000 0.262 175 R N 0.384 121.223 120.500 0.564 0.000 2.139 175 R HA -0.086 4.253 4.340 -0.001 0.000 0.243 175 R C 1.791 178.278 176.300 0.312 0.000 1.145 175 R CA 2.552 58.845 56.100 0.322 0.000 0.976 175 R CB -0.866 29.556 30.300 0.204 0.000 0.866 175 R HN 0.623 nan 8.270 nan 0.000 0.449 176 T N -1.800 112.976 114.554 0.371 0.000 3.058 176 T HA 0.028 4.378 4.350 -0.001 0.000 0.247 176 T C 1.568 176.510 174.700 0.403 0.000 0.987 176 T CA 0.562 62.873 62.100 0.351 0.000 1.062 176 T CB 0.031 69.126 68.868 0.378 0.000 1.048 176 T HN 0.392 nan 8.240 nan 0.000 0.468 177 S N 1.585 117.603 115.700 0.529 0.000 2.382 177 S HA -0.158 4.311 4.470 -0.001 0.000 0.228 177 S C 1.391 176.181 174.600 0.317 0.000 1.027 177 S CA 1.321 59.831 58.200 0.518 0.000 0.991 177 S CB -0.488 62.973 63.200 0.434 0.000 0.823 177 S HN 0.550 nan 8.310 nan 0.000 0.469 178 H N 0.831 120.041 119.070 0.234 0.000 2.542 178 H HA 0.490 5.045 4.556 -0.001 0.000 0.283 178 H C 0.040 175.559 175.328 0.318 0.000 1.059 178 H CA -0.350 55.850 56.048 0.253 0.000 1.162 178 H CB 0.150 30.102 29.762 0.318 0.000 1.539 178 H HN 0.624 nan 8.280 nan 0.000 0.543 179 E N 1.274 121.722 120.200 0.414 0.000 2.249 179 E HA 0.258 4.608 4.350 -0.001 0.000 0.280 179 E C -0.587 176.129 176.600 0.194 0.000 1.016 179 E CA -0.511 56.095 56.400 0.344 0.000 0.830 179 E CB 0.865 30.739 29.700 0.291 0.000 1.081 179 E HN 0.236 nan 8.360 nan 0.000 0.395 180 I N 3.962 124.616 120.570 0.141 0.000 2.353 180 I HA 0.225 4.394 4.170 -0.001 0.000 0.293 180 I C 0.120 176.273 176.117 0.061 0.000 0.992 180 I CA -0.483 60.879 61.300 0.103 0.000 1.268 180 I CB 1.283 39.358 38.000 0.125 0.000 1.387 180 I HN 0.433 nan 8.210 nan 0.000 0.478 181 Q N 4.910 124.747 119.800 0.062 0.000 2.379 181 Q HA 0.304 4.643 4.340 -0.001 0.000 0.278 181 Q C -1.053 174.985 176.000 0.063 0.000 1.068 181 Q CA -0.970 54.870 55.803 0.062 0.000 0.816 181 Q CB 3.379 32.158 28.738 0.069 0.000 1.387 181 Q HN 0.492 nan 8.270 nan 0.000 0.413 182 K N 3.299 123.748 120.400 0.081 0.000 2.312 182 K HA 0.431 4.750 4.320 -0.001 0.000 0.287 182 K C -0.272 176.358 176.600 0.051 0.000 1.062 182 K CA 0.079 56.395 56.287 0.048 0.000 0.934 182 K CB 0.108 32.623 32.500 0.024 0.000 1.027 182 K HN 0.619 nan 8.250 nan 0.000 0.478 183 I N -0.571 120.000 120.570 0.001 0.000 3.466 183 I HA 0.514 4.684 4.170 -0.001 0.000 0.311 183 I C -1.338 174.728 176.117 -0.085 0.000 1.155 183 I CA -1.112 60.178 61.300 -0.016 0.000 0.959 183 I CB 2.014 39.997 38.000 -0.027 0.000 1.332 183 I HN 0.600 nan 8.210 nan 0.000 0.483 184 E N 1.813 121.936 120.200 -0.127 0.000 2.187 184 E HA 0.628 4.978 4.350 -0.001 0.000 0.268 184 E C -1.493 174.880 176.600 -0.379 0.000 0.896 184 E CA -0.865 55.429 56.400 -0.177 0.000 0.766 184 E CB 2.349 31.987 29.700 -0.102 0.000 1.142 184 E HN 0.679 nan 8.360 nan 0.000 0.408 185 V N 1.962 121.658 119.914 -0.363 0.000 2.864 185 V HA 0.597 4.716 4.120 -0.001 0.000 0.314 185 V C -0.500 175.573 176.094 -0.036 0.000 1.073 185 V CA -0.998 61.019 62.300 -0.471 0.000 0.956 185 V CB 1.410 32.988 31.823 -0.409 0.000 1.023 185 V HN 0.690 nan 8.190 nan 0.000 0.435 186 L N 1.768 123.171 121.223 0.301 0.000 2.399 186 L HA 0.515 4.854 4.340 -0.001 0.000 0.265 186 L C 0.245 177.310 176.870 0.325 0.000 1.089 186 L CA -0.576 54.425 54.840 0.269 0.000 0.802 186 L CB 1.012 43.237 42.059 0.277 0.000 1.180 186 L HN 0.701 nan 8.230 nan 0.000 0.454 187 D N -0.147 120.366 120.400 0.189 0.000 2.357 187 D HA -0.016 4.624 4.640 -0.001 0.000 0.242 187 D C 0.640 177.087 176.300 0.246 0.000 1.153 187 D CA -0.026 54.065 54.000 0.153 0.000 0.918 187 D CB 0.815 41.655 40.800 0.066 0.000 1.181 187 D HN 0.313 nan 8.370 nan 0.000 0.435 188 Y N 0.772 121.041 120.300 -0.052 0.000 2.293 188 Y HA -0.098 4.452 4.550 -0.001 0.000 0.291 188 Y C 2.276 178.127 175.900 -0.083 0.000 1.137 188 Y CA 0.598 58.639 58.100 -0.098 0.000 1.202 188 Y CB -0.899 37.491 38.460 -0.117 0.000 0.990 188 Y HN 0.450 nan 8.280 nan 0.000 0.537 189 A N -0.159 122.725 122.820 0.107 0.000 1.969 189 A HA -0.159 4.160 4.320 -0.001 0.000 0.218 189 A C 1.870 179.466 177.584 0.020 0.000 1.169 189 A CA 1.841 53.900 52.037 0.035 0.000 0.635 189 A CB -0.588 18.427 19.000 0.026 0.000 0.810 189 A HN 0.313 nan 8.150 nan 0.000 0.445 190 D N -0.480 119.946 120.400 0.043 0.000 2.144 190 D HA -0.088 4.551 4.640 -0.001 0.000 0.200 190 D C 2.070 178.379 176.300 0.016 0.000 0.978 190 D CA 1.277 55.300 54.000 0.038 0.000 0.833 190 D CB -0.267 40.571 40.800 0.064 0.000 0.961 190 D HN 0.468 nan 8.370 nan 0.000 0.470 191 M N 0.246 119.843 119.600 -0.005 0.000 2.099 191 M HA -0.088 4.391 4.480 -0.001 0.000 0.262 191 M C 2.340 178.580 176.300 -0.101 0.000 1.067 191 M CA 1.345 56.602 55.300 -0.071 0.000 1.124 191 M CB -0.293 32.211 32.600 -0.160 0.000 1.353 191 M HN -0.005 nan 8.290 nan 0.000 0.410 192 A N 0.760 123.512 122.820 -0.114 0.000 1.940 192 A HA -0.195 4.125 4.320 -0.001 0.000 0.219 192 A C 2.310 179.849 177.584 -0.075 0.000 1.176 192 A CA 2.325 54.278 52.037 -0.140 0.000 0.631 192 A CB -1.020 17.896 19.000 -0.140 0.000 0.814 192 A HN 0.615 nan 8.150 nan 0.000 0.446 193 S N -0.970 114.710 115.700 -0.033 0.000 2.423 193 S HA -0.047 4.423 4.470 -0.001 0.000 0.231 193 S C 1.500 176.111 174.600 0.019 0.000 1.014 193 S CA 1.351 59.549 58.200 -0.004 0.000 0.965 193 S CB -0.330 62.875 63.200 0.009 0.000 0.785 193 S HN 0.212 nan 8.310 nan 0.000 0.495 194 L N 1.714 122.952 121.223 0.024 0.000 2.492 194 L HA 0.343 4.683 4.340 -0.001 0.000 0.223 194 L C 0.582 177.515 176.870 0.104 0.000 1.132 194 L CA 0.118 55.011 54.840 0.088 0.000 0.850 194 L CB -0.792 41.331 42.059 0.107 0.000 0.966 194 L HN 0.184 nan 8.230 nan 0.000 0.454 195 V N 1.514 121.435 119.914 0.013 0.000 2.599 195 V HA -0.045 4.074 4.120 -0.001 0.000 0.300 195 V C 0.845 176.976 176.094 0.062 0.000 1.034 195 V CA -0.290 62.010 62.300 0.000 0.000 1.115 195 V CB 0.306 32.102 31.823 -0.044 0.000 0.934 195 V HN 0.351 nan 8.190 nan 0.000 0.485 196 N N 5.177 123.934 118.700 0.094 0.000 2.406 196 N HA 0.025 4.765 4.740 -0.001 0.000 0.265 196 N C 1.017 176.576 175.510 0.081 0.000 1.203 196 N CA -0.039 53.076 53.050 0.109 0.000 0.945 196 N CB 1.209 39.782 38.487 0.144 0.000 1.165 196 N HN 0.580 nan 8.380 nan 0.000 0.485 197 Q N 3.009 122.852 119.800 0.072 0.000 2.119 197 Q HA -0.140 4.199 4.340 -0.001 0.000 0.201 197 Q C 1.488 177.535 176.000 0.078 0.000 0.972 197 Q CA 1.066 56.915 55.803 0.077 0.000 0.847 197 Q CB -0.074 28.702 28.738 0.062 0.000 0.903 197 Q HN 0.650 nan 8.270 nan 0.000 0.433 198 K N 0.482 120.922 120.400 0.066 0.000 2.057 198 K HA -0.093 4.226 4.320 -0.001 0.000 0.207 198 K C 1.917 178.563 176.600 0.076 0.000 1.049 198 K CA 1.229 57.552 56.287 0.061 0.000 0.931 198 K CB 0.023 32.552 32.500 0.048 0.000 0.714 198 K HN 0.116 nan 8.250 nan 0.000 0.440 199 A N 1.529 124.399 122.820 0.084 0.000 1.898 199 A HA -0.153 4.166 4.320 -0.001 0.000 0.216 199 A C 2.079 179.742 177.584 0.132 0.000 1.181 199 A CA 1.230 53.324 52.037 0.095 0.000 0.620 199 A CB -0.608 18.439 19.000 0.079 0.000 0.819 199 A HN 0.372 nan 8.150 nan 0.000 0.442 200 L N -0.064 121.240 121.223 0.136 0.000 2.042 200 L HA -0.129 4.211 4.340 -0.001 0.000 0.210 200 L C 2.645 179.637 176.870 0.204 0.000 1.076 200 L CA 2.333 57.295 54.840 0.204 0.000 0.749 200 L CB -0.797 41.381 42.059 0.199 0.000 0.893 200 L HN 0.349 nan 8.230 nan 0.000 0.432 201 A N -1.117 121.780 122.820 0.129 0.000 1.930 201 A HA -0.207 4.113 4.320 -0.001 0.000 0.217 201 A C 2.187 179.813 177.584 0.069 0.000 1.175 201 A CA 1.675 53.761 52.037 0.082 0.000 0.627 201 A CB -0.584 18.450 19.000 0.057 0.000 0.815 201 A HN 0.606 nan 8.150 nan 0.000 0.443 202 E N -1.367 118.889 120.200 0.095 0.000 2.106 202 E HA -0.151 4.198 4.350 -0.001 0.000 0.192 202 E C 1.706 178.380 176.600 0.123 0.000 0.984 202 E CA 1.179 57.630 56.400 0.086 0.000 0.806 202 E CB -0.245 29.511 29.700 0.093 0.000 0.750 202 E HN 0.700 nan 8.360 nan 0.000 0.458 203 F N 1.917 121.875 119.950 0.014 0.000 2.075 203 F HA -0.163 4.363 4.527 -0.001 0.000 0.297 203 F C 2.161 177.970 175.800 0.015 0.000 1.113 203 F CA 1.399 59.405 58.000 0.010 0.000 1.218 203 F CB -0.173 38.833 39.000 0.010 0.000 0.984 203 F HN -0.206 nan 8.300 nan 0.000 0.472 204 R N 0.859 121.228 120.500 -0.218 0.000 2.096 204 R HA -0.114 4.226 4.340 -0.001 0.000 0.240 204 R C 2.473 178.681 176.300 -0.153 0.000 1.139 204 R CA 1.786 57.709 56.100 -0.294 0.000 0.952 204 R CB -1.495 28.735 30.300 -0.118 0.000 0.854 204 R HN 0.427 nan 8.270 nan 0.000 0.436 205 A N 1.056 123.831 122.820 -0.076 0.000 2.015 205 A HA -0.162 4.158 4.320 -0.001 0.000 0.219 205 A C 1.740 179.303 177.584 -0.034 0.000 1.163 205 A CA 1.703 53.696 52.037 -0.073 0.000 0.646 205 A CB -0.402 18.543 19.000 -0.092 0.000 0.806 205 A HN 0.470 nan 8.150 nan 0.000 0.448 206 K N -0.485 119.897 120.400 -0.029 0.000 2.426 206 K HA 0.201 4.521 4.320 -0.001 0.000 0.193 206 K C 0.260 176.862 176.600 0.003 0.000 1.028 206 K CA 0.369 56.637 56.287 -0.031 0.000 1.047 206 K CB 0.056 32.534 32.500 -0.036 0.000 0.821 206 K HN 0.219 nan 8.250 nan 0.000 0.513 207 S N 1.557 117.256 115.700 -0.002 0.000 2.608 207 S HA 0.172 4.641 4.470 -0.001 0.000 0.261 207 S C 0.285 174.976 174.600 0.152 0.000 1.314 207 S CA -0.612 57.597 58.200 0.016 0.000 0.992 207 S CB 0.452 63.526 63.200 -0.210 0.000 0.935 207 S HN 0.202 nan 8.310 nan 0.000 0.564 208 M N 2.901 122.562 119.600 0.102 0.000 2.248 208 M HA 0.135 4.614 4.480 -0.001 0.000 0.345 208 M C 0.311 176.527 176.300 -0.140 0.000 1.243 208 M CA 0.709 55.986 55.300 -0.039 0.000 1.090 208 M CB -0.122 32.405 32.600 -0.122 0.000 1.683 208 M HN 0.541 nan 8.290 nan 0.000 0.450 209 N N 3.747 122.300 118.700 -0.244 0.000 3.186 209 N HA 0.158 4.897 4.740 -0.001 0.000 0.230 209 N C -2.619 172.685 175.510 -0.343 0.000 1.062 209 N CA -0.850 51.995 53.050 -0.341 0.000 1.084 209 N CB 2.062 40.214 38.487 -0.559 0.000 1.662 209 N HN 0.230 nan 8.380 nan 0.000 0.627 210 P HA -0.024 nan 4.420 nan 0.000 0.234 210 P C 0.577 177.800 177.300 -0.128 0.000 1.167 210 P CA 0.966 63.976 63.100 -0.150 0.000 0.763 210 P CB 0.678 32.315 31.700 -0.106 0.000 0.835 211 E N -0.150 119.944 120.200 -0.178 0.000 2.216 211 E HA -0.089 4.260 4.350 -0.001 0.000 0.192 211 E C 0.843 177.458 176.600 0.024 0.000 0.988 211 E CA 0.684 57.048 56.400 -0.060 0.000 0.834 211 E CB -0.098 29.605 29.700 0.005 0.000 0.772 211 E HN 0.516 nan 8.360 nan 0.000 0.479 212 H N -2.082 116.992 119.070 0.006 0.000 2.600 212 H HA 0.299 4.855 4.556 -0.001 0.000 0.224 212 H C -2.817 172.545 175.328 0.056 0.000 1.413 212 H CA -1.935 54.127 56.048 0.024 0.000 1.401 212 H CB -0.129 29.644 29.762 0.020 0.000 1.772 212 H HN -0.030 nan 8.280 nan 0.000 0.528 213 P HA 0.160 nan 4.420 nan 0.000 0.274 213 P C -0.160 177.204 177.300 0.108 0.000 1.237 213 P CA 0.328 63.422 63.100 -0.011 0.000 0.793 213 P CB 1.708 33.365 31.700 -0.073 0.000 0.977 214 H N -1.710 117.358 119.070 -0.003 0.000 2.966 214 H HA 0.539 5.094 4.556 -0.001 0.000 0.330 214 H C -1.520 173.810 175.328 0.003 0.000 1.292 214 H CA -1.134 54.921 56.048 0.012 0.000 1.127 214 H CB 0.740 30.518 29.762 0.027 0.000 1.863 214 H HN 0.092 nan 8.280 nan 0.000 0.543 215 V N 2.271 122.226 119.914 0.069 0.000 2.417 215 V HA 0.425 4.544 4.120 -0.001 0.000 0.291 215 V C 0.337 176.489 176.094 0.096 0.000 1.024 215 V CA -0.809 61.490 62.300 -0.001 0.000 0.861 215 V CB 1.257 33.094 31.823 0.024 0.000 0.985 215 V HN 0.824 nan 8.190 nan 0.000 0.436 216 R N 2.852 123.376 120.500 0.040 0.000 2.803 216 R HA 0.775 5.114 4.340 -0.001 0.000 0.276 216 R C 0.334 176.680 176.300 0.077 0.000 0.978 216 R CA -0.177 55.992 56.100 0.114 0.000 0.939 216 R CB 1.865 32.261 30.300 0.159 0.000 1.179 216 R HN 1.120 nan 8.270 nan 0.000 0.472 217 G N 1.556 110.414 108.800 0.098 0.000 2.341 217 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.278 217 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.278 217 G C 0.015 174.955 174.900 0.068 0.000 1.111 217 G CA 0.293 45.447 45.100 0.089 0.000 0.982 217 G HN 1.060 nan 8.290 nan 0.000 0.502 218 T N -2.070 112.527 114.554 0.072 0.000 2.816 218 T HA 0.775 5.124 4.350 -0.001 0.000 0.282 218 T C 0.579 175.321 174.700 0.071 0.000 0.993 218 T CA 0.311 62.449 62.100 0.062 0.000 0.994 218 T CB 2.142 71.048 68.868 0.064 0.000 1.025 218 T HN 1.836 nan 8.240 nan 0.000 0.529 219 A N 1.508 124.362 122.820 0.057 0.000 2.276 219 A HA 0.579 4.898 4.320 -0.001 0.000 0.316 219 A C -0.080 177.546 177.584 0.069 0.000 1.229 219 A CA -0.824 51.245 52.037 0.053 0.000 0.851 219 A CB 0.484 19.499 19.000 0.025 0.000 1.165 219 A HN 0.847 nan 8.150 nan 0.000 0.513 220 Q N 1.741 121.602 119.800 0.102 0.000 2.345 220 Q HA 0.343 4.682 4.340 -0.001 0.000 0.268 220 Q C -0.663 175.390 176.000 0.089 0.000 1.054 220 Q CA -1.080 54.798 55.803 0.126 0.000 0.835 220 Q CB 1.867 30.739 28.738 0.223 0.000 1.339 220 Q HN 0.801 nan 8.270 nan 0.000 0.447 221 N N 1.150 119.897 118.700 0.078 0.000 2.405 221 N HA 0.200 4.939 4.740 -0.001 0.000 0.269 221 N C -1.855 173.704 175.510 0.081 0.000 1.249 221 N CA -1.641 51.439 53.050 0.050 0.000 0.974 221 N CB 0.065 38.575 38.487 0.037 0.000 1.204 221 N HN 0.277 nan 8.380 nan 0.000 0.565 222 P HA -0.125 nan 4.420 nan 0.000 0.219 222 P C 0.454 177.823 177.300 0.116 0.000 1.146 222 P CA 1.137 64.286 63.100 0.082 0.000 0.808 222 P CB 0.113 31.840 31.700 0.045 0.000 0.779 223 D N 0.082 120.536 120.400 0.089 0.000 2.178 223 D HA -0.171 4.469 4.640 -0.001 0.000 0.201 223 D C 1.648 178.004 176.300 0.093 0.000 0.980 223 D CA 1.383 55.431 54.000 0.079 0.000 0.842 223 D CB -1.046 39.787 40.800 0.054 0.000 0.948 223 D HN 0.364 nan 8.370 nan 0.000 0.472 224 I N -5.072 115.570 120.570 0.119 0.000 4.526 224 I HA 0.290 4.459 4.170 -0.001 0.000 0.330 224 I C 1.806 178.014 176.117 0.152 0.000 1.323 224 I CA -0.710 60.656 61.300 0.111 0.000 1.218 224 I CB -0.117 37.928 38.000 0.075 0.000 1.233 224 I HN -0.174 nan 8.210 nan 0.000 0.430 225 Y N 2.163 122.515 120.300 0.087 0.000 2.081 225 Y HA -0.293 4.256 4.550 -0.001 0.000 0.280 225 Y C 2.306 178.306 175.900 0.165 0.000 1.163 225 Y CA 2.645 60.800 58.100 0.092 0.000 1.135 225 Y CB -0.476 38.017 38.460 0.055 0.000 0.970 225 Y HN 0.265 nan 8.280 nan 0.000 0.498 226 F N 0.543 120.543 119.950 0.084 0.000 2.091 226 F HA -0.410 4.116 4.527 -0.001 0.000 0.299 226 F C 2.233 177.983 175.800 -0.084 0.000 1.103 226 F CA 1.650 59.649 58.000 -0.002 0.000 1.228 226 F CB -0.107 38.933 39.000 0.067 0.000 0.984 226 F HN 0.212 nan 8.300 nan 0.000 0.477 227 Q N 0.194 120.053 119.800 0.098 0.000 2.050 227 Q HA -0.137 4.202 4.340 -0.001 0.000 0.202 227 Q C 2.394 178.380 176.000 -0.022 0.000 0.980 227 Q CA 1.712 57.495 55.803 -0.032 0.000 0.840 227 Q CB -1.023 27.691 28.738 -0.040 0.000 0.898 227 Q HN 0.536 nan 8.270 nan 0.000 0.424 228 G N 0.279 109.050 108.800 -0.049 0.000 2.450 228 G HA2 -0.322 3.638 3.960 -0.001 0.000 0.220 228 G HA3 -0.322 3.638 3.960 -0.001 0.000 0.220 228 G C 1.534 176.360 174.900 -0.125 0.000 1.130 228 G CA 0.859 45.908 45.100 -0.085 0.000 0.760 228 G HN 0.165 nan 8.290 nan 0.000 0.557 229 R N 0.385 120.765 120.500 -0.200 0.000 2.115 229 R HA 0.042 4.381 4.340 -0.001 0.000 0.226 229 R C 2.167 178.454 176.300 -0.022 0.000 1.100 229 R CA 1.050 57.047 56.100 -0.172 0.000 0.980 229 R CB -0.078 30.070 30.300 -0.254 0.000 0.875 229 R HN 0.219 nan 8.270 nan 0.000 0.445 230 E N -0.345 119.879 120.200 0.041 0.000 2.442 230 E HA 0.048 4.397 4.350 -0.001 0.000 0.195 230 E C 1.482 178.109 176.600 0.046 0.000 1.030 230 E CA 0.728 57.160 56.400 0.054 0.000 0.869 230 E CB 0.296 30.024 29.700 0.047 0.000 0.857 230 E HN 0.400 nan 8.360 nan 0.000 0.505 231 A N 1.140 123.983 122.820 0.037 0.000 2.125 231 A HA 0.003 4.322 4.320 -0.001 0.000 0.219 231 A C 2.183 179.851 177.584 0.141 0.000 1.156 231 A CA 1.383 53.459 52.037 0.065 0.000 0.671 231 A CB -0.169 18.856 19.000 0.041 0.000 0.794 231 A HN 0.197 nan 8.150 nan 0.000 0.459 232 A N -0.387 122.526 122.820 0.155 0.000 2.218 232 A HA 0.052 4.372 4.320 -0.001 0.000 0.209 232 A C 1.600 179.419 177.584 0.392 0.000 1.168 232 A CA 0.695 52.906 52.037 0.290 0.000 0.804 232 A CB -0.410 18.735 19.000 0.242 0.000 0.834 232 A HN 0.463 nan 8.150 nan 0.000 0.482 233 N N 1.259 120.097 118.700 0.231 0.000 2.073 233 N HA -0.183 4.556 4.740 -0.001 0.000 0.199 233 N C -0.888 174.740 175.510 0.197 0.000 1.023 233 N CA 2.218 55.382 53.050 0.190 0.000 0.880 233 N CB -1.700 36.843 38.487 0.094 0.000 1.052 233 N HN 0.317 nan 8.380 nan 0.000 0.449 234 P HA -0.128 nan 4.420 nan 0.000 0.216 234 P C 1.131 178.391 177.300 -0.068 0.000 1.153 234 P CA 1.210 64.298 63.100 -0.020 0.000 0.858 234 P CB -0.166 31.453 31.700 -0.134 0.000 0.789 235 Y N -2.676 117.655 120.300 0.051 0.000 2.181 235 Y HA -0.191 4.358 4.550 -0.001 0.000 0.288 235 Y C 2.277 178.116 175.900 -0.102 0.000 1.146 235 Y CA 1.332 59.408 58.100 -0.041 0.000 1.164 235 Y CB -1.252 37.148 38.460 -0.101 0.000 0.982 235 Y HN -0.007 nan 8.280 nan 0.000 0.515 236 Y N -0.812 119.565 120.300 0.129 0.000 2.439 236 Y HA -0.118 4.431 4.550 -0.001 0.000 0.292 236 Y C 2.081 178.002 175.900 0.035 0.000 1.130 236 Y CA 0.771 58.904 58.100 0.054 0.000 1.254 236 Y CB -0.426 38.051 38.460 0.030 0.000 1.000 236 Y HN 0.094 nan 8.280 nan 0.000 0.554 237 L N -0.403 120.913 121.223 0.156 0.000 2.156 237 L HA -0.184 4.155 4.340 -0.001 0.000 0.208 237 L C 1.933 178.833 176.870 0.050 0.000 1.095 237 L CA 1.421 56.313 54.840 0.088 0.000 0.770 237 L CB -0.316 41.775 42.059 0.054 0.000 0.914 237 L HN 0.137 nan 8.230 nan 0.000 0.439 238 K N -0.390 120.022 120.400 0.020 0.000 2.314 238 K HA -0.046 4.273 4.320 -0.001 0.000 0.198 238 K C 2.007 178.628 176.600 0.035 0.000 1.045 238 K CA 0.804 57.095 56.287 0.006 0.000 0.988 238 K CB 0.120 32.595 32.500 -0.041 0.000 0.783 238 K HN 0.224 nan 8.250 nan 0.000 0.484 239 V N -0.638 119.298 119.914 0.037 0.000 2.332 239 V HA -0.163 3.957 4.120 -0.001 0.000 0.248 239 V C -0.993 175.171 176.094 0.115 0.000 1.055 239 V CA 1.202 63.547 62.300 0.076 0.000 1.038 239 V CB -1.829 29.995 31.823 0.001 0.000 0.651 239 V HN 0.088 nan 8.190 nan 0.000 0.450 240 P HA -0.073 nan 4.420 nan 0.000 0.215 240 P C 1.941 179.293 177.300 0.087 0.000 1.157 240 P CA 2.347 65.502 63.100 0.092 0.000 0.874 240 P CB -0.633 31.116 31.700 0.081 0.000 0.790 241 G N -0.684 108.155 108.800 0.066 0.000 2.432 241 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.219 241 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.219 241 G C 1.514 176.440 174.900 0.042 0.000 1.135 241 G CA 0.463 45.591 45.100 0.045 0.000 0.767 241 G HN 0.238 nan 8.290 nan 0.000 0.550 242 I N 0.265 120.880 120.570 0.074 0.000 2.315 242 I HA -0.117 4.053 4.170 -0.001 0.000 0.248 242 I C 2.687 178.909 176.117 0.174 0.000 1.117 242 I CA 0.317 61.681 61.300 0.107 0.000 1.404 242 I CB -0.057 38.039 38.000 0.160 0.000 1.071 242 I HN 0.020 nan 8.210 nan 0.000 0.419 243 V N 0.943 120.960 119.914 0.172 0.000 2.358 243 V HA -0.270 3.850 4.120 -0.001 0.000 0.246 243 V C 2.707 178.874 176.094 0.122 0.000 1.047 243 V CA 1.936 64.335 62.300 0.165 0.000 1.035 243 V CB -0.949 30.984 31.823 0.183 0.000 0.658 243 V HN 0.478 nan 8.190 nan 0.000 0.452 244 A N 0.959 123.832 122.820 0.089 0.000 1.877 244 A HA -0.279 4.040 4.320 -0.001 0.000 0.216 244 A C 2.239 179.843 177.584 0.032 0.000 1.186 244 A CA 2.040 54.117 52.037 0.068 0.000 0.620 244 A CB -0.572 18.463 19.000 0.058 0.000 0.822 244 A HN 0.789 nan 8.150 nan 0.000 0.443 245 E N -1.550 118.632 120.200 -0.029 0.000 2.077 245 E HA -0.252 4.097 4.350 -0.001 0.000 0.193 245 E C 1.815 178.301 176.600 -0.191 0.000 0.989 245 E CA 1.563 57.878 56.400 -0.142 0.000 0.800 245 E CB -0.606 28.941 29.700 -0.255 0.000 0.746 245 E HN 0.730 nan 8.360 nan 0.000 0.452 246 Y N 0.570 120.869 120.300 -0.002 0.000 2.373 246 Y HA 0.005 4.555 4.550 -0.001 0.000 0.293 246 Y C 2.482 178.389 175.900 0.011 0.000 1.129 246 Y CA 1.067 59.157 58.100 -0.016 0.000 1.226 246 Y CB -0.036 38.386 38.460 -0.063 0.000 1.000 246 Y HN 0.016 nan 8.280 nan 0.000 0.549 247 M N -0.554 119.139 119.600 0.154 0.000 2.117 247 M HA -0.285 4.194 4.480 -0.001 0.000 0.262 247 M C 1.988 178.379 176.300 0.152 0.000 1.065 247 M CA 1.798 57.200 55.300 0.170 0.000 1.114 247 M CB -0.367 32.341 32.600 0.180 0.000 1.361 247 M HN 0.296 nan 8.290 nan 0.000 0.408 248 Q N 0.092 119.943 119.800 0.085 0.000 2.123 248 Q HA -0.112 4.227 4.340 -0.001 0.000 0.199 248 Q C 1.988 178.011 176.000 0.040 0.000 0.966 248 Q CA 1.153 56.987 55.803 0.051 0.000 0.845 248 Q CB 0.011 28.757 28.738 0.015 0.000 0.907 248 Q HN 0.461 nan 8.270 nan 0.000 0.439 249 K N -0.051 120.363 120.400 0.022 0.000 2.057 249 K HA -0.099 4.220 4.320 -0.001 0.000 0.206 249 K C 2.043 178.691 176.600 0.080 0.000 1.050 249 K CA 1.180 57.484 56.287 0.028 0.000 0.935 249 K CB 0.005 32.504 32.500 -0.001 0.000 0.715 249 K HN 0.017 nan 8.250 nan 0.000 0.439 250 V N 1.282 121.269 119.914 0.122 0.000 2.427 250 V HA -0.217 3.902 4.120 -0.001 0.000 0.248 250 V C 2.299 178.466 176.094 0.121 0.000 1.051 250 V CA 1.921 64.299 62.300 0.130 0.000 1.048 250 V CB -0.555 31.358 31.823 0.149 0.000 0.666 250 V HN 0.340 nan 8.190 nan 0.000 0.456 251 A N 0.858 123.749 122.820 0.119 0.000 1.933 251 A HA -0.217 4.102 4.320 -0.001 0.000 0.218 251 A C 2.506 180.122 177.584 0.054 0.000 1.175 251 A CA 2.197 54.285 52.037 0.085 0.000 0.628 251 A CB -0.768 18.269 19.000 0.061 0.000 0.814 251 A HN 0.698 nan 8.150 nan 0.000 0.444 252 S N -0.628 115.101 115.700 0.047 0.000 2.474 252 S HA 0.026 4.495 4.470 -0.001 0.000 0.235 252 S C 1.597 176.220 174.600 0.037 0.000 0.997 252 S CA 1.292 59.512 58.200 0.033 0.000 0.949 252 S CB -0.405 62.810 63.200 0.025 0.000 0.766 252 S HN 0.468 nan 8.310 nan 0.000 0.517 253 L N 1.031 122.286 121.223 0.052 0.000 2.408 253 L HA 0.122 4.461 4.340 -0.001 0.000 0.215 253 L C 2.673 179.576 176.870 0.055 0.000 1.081 253 L CA 1.262 56.135 54.840 0.054 0.000 0.840 253 L CB -0.249 41.850 42.059 0.067 0.000 1.002 253 L HN 0.590 nan 8.230 nan 0.000 0.468 254 T N -5.381 109.212 114.554 0.065 0.000 2.969 254 T HA 0.242 4.591 4.350 -0.001 0.000 0.250 254 T C 1.473 176.196 174.700 0.038 0.000 1.021 254 T CA 0.638 62.775 62.100 0.061 0.000 1.003 254 T CB 0.963 69.890 68.868 0.098 0.000 1.040 254 T HN 0.303 nan 8.240 nan 0.000 0.492 255 G N 2.005 110.822 108.800 0.029 0.000 2.176 255 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.253 255 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.253 255 G C 0.119 175.006 174.900 -0.022 0.000 0.979 255 G CA -0.151 44.953 45.100 0.007 0.000 0.641 255 G HN 0.667 nan 8.290 nan 0.000 0.530 256 R N 1.064 121.547 120.500 -0.028 0.000 2.239 256 R HA 0.541 4.881 4.340 -0.001 0.000 0.332 256 R C -0.307 175.826 176.300 -0.278 0.000 0.988 256 R CA -0.229 55.783 56.100 -0.148 0.000 0.859 256 R CB 1.330 31.577 30.300 -0.088 0.000 1.148 256 R HN 0.172 nan 8.270 nan 0.000 0.482 257 S N 2.341 117.846 115.700 -0.324 0.000 2.586 257 S HA 0.472 4.942 4.470 -0.001 0.000 0.274 257 S C -0.868 173.442 174.600 -0.483 0.000 1.281 257 S CA -0.245 57.801 58.200 -0.255 0.000 1.035 257 S CB 0.575 63.712 63.200 -0.104 0.000 0.962 257 S HN 0.348 nan 8.310 nan 0.000 0.512 258 Y N 0.377 120.707 120.300 0.049 0.000 2.588 258 Y HA 0.524 5.073 4.550 -0.001 0.000 0.343 258 Y C 0.187 176.119 175.900 0.053 0.000 1.065 258 Y CA -1.047 57.084 58.100 0.051 0.000 1.038 258 Y CB 1.681 40.167 38.460 0.045 0.000 1.297 258 Y HN 0.396 nan 8.280 nan 0.000 0.467 259 K N 1.130 121.669 120.400 0.233 0.000 2.395 259 K HA 0.475 4.794 4.320 -0.001 0.000 0.245 259 K C 0.374 177.046 176.600 0.121 0.000 1.017 259 K CA -0.844 55.541 56.287 0.163 0.000 0.852 259 K CB 2.171 34.766 32.500 0.159 0.000 1.311 259 K HN 0.571 nan 8.250 nan 0.000 0.452 260 L N 0.413 121.686 121.223 0.082 0.000 2.079 260 L HA -0.075 4.264 4.340 -0.001 0.000 0.210 260 L C 0.199 176.862 176.870 -0.344 0.000 1.081 260 L CA 1.617 56.407 54.840 -0.084 0.000 0.752 260 L CB -0.247 41.810 42.059 -0.004 0.000 0.896 260 L HN 0.388 nan 8.230 nan 0.000 0.433 261 F N -0.933 119.070 119.950 0.088 0.000 2.557 261 F HA 0.381 4.908 4.527 -0.001 0.000 0.316 261 F C -0.288 175.587 175.800 0.125 0.000 1.141 261 F CA -1.030 57.039 58.000 0.115 0.000 0.922 261 F CB 1.586 40.646 39.000 0.100 0.000 1.194 261 F HN -0.208 nan 8.300 nan 0.000 0.443 262 D N 1.933 122.510 120.400 0.295 0.000 2.248 262 D HA 0.197 4.836 4.640 -0.001 0.000 0.246 262 D C -1.465 174.985 176.300 0.250 0.000 1.027 262 D CA -0.322 53.820 54.000 0.237 0.000 0.853 262 D CB 2.643 43.553 40.800 0.183 0.000 1.243 262 D HN 0.501 nan 8.370 nan 0.000 0.462 263 Y N 1.735 122.102 120.300 0.112 0.000 2.377 263 Y HA 0.452 5.001 4.550 -0.001 0.000 0.339 263 Y C -0.662 175.289 175.900 0.085 0.000 1.011 263 Y CA -0.576 57.581 58.100 0.095 0.000 1.093 263 Y CB 1.127 39.623 38.460 0.059 0.000 1.201 263 Y HN 0.167 nan 8.280 nan 0.000 0.455 264 V N 2.728 122.141 119.914 -0.836 0.000 2.962 264 V HA 1.059 5.179 4.120 -0.001 0.000 0.313 264 V C -0.095 175.549 176.094 -0.750 0.000 1.099 264 V CA -0.239 61.745 62.300 -0.527 0.000 0.971 264 V CB 1.054 32.755 31.823 -0.203 0.000 1.028 264 V HN 1.453 nan 8.190 nan 0.000 0.430 265 G N 1.180 109.799 108.800 -0.302 0.000 2.422 265 G HA2 0.468 4.428 3.960 -0.001 0.000 0.607 265 G HA3 0.468 4.428 3.960 -0.001 0.000 0.607 265 G C 0.013 174.973 174.900 0.101 0.000 1.270 265 G CA -0.156 44.873 45.100 -0.119 0.000 0.992 265 G HN 2.326 nan 8.290 nan 0.000 0.499 266 A N 0.441 123.339 122.820 0.131 0.000 2.548 266 A HA 0.561 4.881 4.320 -0.001 0.000 0.247 266 A C -0.536 177.198 177.584 0.249 0.000 1.067 266 A CA 0.556 52.684 52.037 0.151 0.000 0.757 266 A CB 0.041 19.095 19.000 0.089 0.000 0.996 266 A HN 0.483 nan 8.150 nan 0.000 0.504 267 P HA -0.081 nan 4.420 nan 0.000 0.225 267 P C 0.267 177.587 177.300 0.034 0.000 1.148 267 P CA 1.430 64.595 63.100 0.108 0.000 0.779 267 P CB 0.196 31.940 31.700 0.073 0.000 0.780 268 D N -1.704 118.730 120.400 0.057 0.000 2.670 268 D HA 0.208 4.847 4.640 -0.001 0.000 0.255 268 D C 0.077 176.411 176.300 0.056 0.000 1.286 268 D CA -0.641 53.381 54.000 0.036 0.000 0.830 268 D CB -0.334 40.483 40.800 0.029 0.000 1.065 268 D HN -0.077 nan 8.370 nan 0.000 0.486 269 A N 0.566 123.443 122.820 0.095 0.000 2.498 269 A HA 0.144 4.463 4.320 -0.001 0.000 0.239 269 A C 0.902 178.546 177.584 0.099 0.000 1.068 269 A CA -0.035 52.074 52.037 0.120 0.000 0.766 269 A CB 0.517 19.650 19.000 0.222 0.000 1.003 269 A HN 0.234 nan 8.150 nan 0.000 0.497 270 E N 0.639 120.895 120.200 0.094 0.000 2.340 270 E HA 0.046 4.396 4.350 -0.001 0.000 0.198 270 E C -0.008 176.662 176.600 0.117 0.000 0.961 270 E CA 0.339 56.791 56.400 0.087 0.000 0.905 270 E CB 0.361 30.099 29.700 0.063 0.000 0.884 270 E HN 0.660 nan 8.360 nan 0.000 0.491 271 R N 1.090 121.684 120.500 0.157 0.000 2.360 271 R HA 0.461 4.800 4.340 -0.001 0.000 0.318 271 R C -1.289 175.205 176.300 0.324 0.000 0.950 271 R CA -0.399 55.834 56.100 0.221 0.000 0.837 271 R CB 2.337 32.788 30.300 0.253 0.000 1.165 271 R HN -0.146 nan 8.270 nan 0.000 0.458 272 V N 5.045 125.136 119.914 0.295 0.000 2.656 272 V HA 0.494 4.613 4.120 -0.001 0.000 0.307 272 V C -0.089 176.166 176.094 0.268 0.000 1.051 272 V CA -0.794 61.709 62.300 0.339 0.000 0.893 272 V CB 2.367 34.385 31.823 0.325 0.000 0.999 272 V HN 0.632 nan 8.190 nan 0.000 0.426 273 I N 3.642 124.360 120.570 0.248 0.000 2.437 273 I HA 0.506 4.675 4.170 -0.001 0.000 0.298 273 I C -0.672 175.584 176.117 0.232 0.000 0.984 273 I CA -0.806 60.581 61.300 0.146 0.000 1.214 273 I CB 2.059 40.057 38.000 -0.003 0.000 1.365 273 I HN 0.264 nan 8.210 nan 0.000 0.469 274 V N 5.101 125.165 119.914 0.250 0.000 2.409 274 V HA 0.500 4.619 4.120 -0.001 0.000 0.291 274 V C -0.152 176.099 176.094 0.262 0.000 1.020 274 V CA -0.129 62.370 62.300 0.332 0.000 0.848 274 V CB 1.423 33.501 31.823 0.425 0.000 0.990 274 V HN 0.810 nan 8.190 nan 0.000 0.430 275 S N 4.655 120.510 115.700 0.259 0.000 2.685 275 S HA 0.882 5.351 4.470 -0.001 0.000 0.282 275 S C -1.150 173.608 174.600 0.263 0.000 1.159 275 S CA -0.656 57.672 58.200 0.214 0.000 0.833 275 S CB 1.972 65.221 63.200 0.081 0.000 1.151 275 S HN 0.723 nan 8.310 nan 0.000 0.485 276 M N 1.539 121.310 119.600 0.286 0.000 2.421 276 M HA 0.606 5.085 4.480 -0.001 0.000 0.287 276 M C -0.309 176.214 176.300 0.371 0.000 1.183 276 M CA 0.698 56.177 55.300 0.298 0.000 0.916 276 M CB 1.512 34.297 32.600 0.309 0.000 1.701 276 M HN 1.212 nan 8.290 nan 0.000 0.470 277 G N 1.616 110.577 108.800 0.268 0.000 2.660 277 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.247 277 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.247 277 G C 0.280 175.332 174.900 0.252 0.000 1.328 277 G CA 0.191 45.472 45.100 0.301 0.000 0.884 277 G HN 1.453 nan 8.290 nan 0.000 0.531 278 S N -0.587 115.270 115.700 0.261 0.000 2.440 278 S HA -0.165 4.304 4.470 -0.001 0.000 0.240 278 S C 2.642 177.386 174.600 0.240 0.000 1.014 278 S CA 2.652 60.989 58.200 0.228 0.000 0.980 278 S CB -0.724 62.611 63.200 0.225 0.000 0.775 278 S HN 2.348 nan 8.310 nan 0.000 0.499 279 S N 0.979 116.837 115.700 0.263 0.000 2.400 279 S HA -0.155 4.314 4.470 -0.001 0.000 0.232 279 S C 1.980 176.723 174.600 0.238 0.000 1.025 279 S CA 1.029 59.389 58.200 0.266 0.000 0.993 279 S CB -1.578 61.576 63.200 -0.076 0.000 0.808 279 S HN 0.695 nan 8.310 nan 0.000 0.478 280 C N 2.036 121.450 119.300 0.190 0.000 2.403 280 C HA -0.035 4.425 4.460 -0.001 0.000 0.277 280 C C 2.992 178.077 174.990 0.158 0.000 1.248 280 C CA 0.836 59.955 59.018 0.169 0.000 1.762 280 C CB -1.234 26.603 27.740 0.161 0.000 2.014 280 C HN 0.602 nan 8.230 nan 0.000 0.486 281 E N 0.340 120.635 120.200 0.159 0.000 2.047 281 E HA -0.142 4.207 4.350 -0.001 0.000 0.191 281 E C 2.245 178.932 176.600 0.146 0.000 0.987 281 E CA 1.615 58.095 56.400 0.133 0.000 0.799 281 E CB -0.769 29.004 29.700 0.122 0.000 0.752 281 E HN 0.588 nan 8.360 nan 0.000 0.449 282 T N 1.862 116.529 114.554 0.189 0.000 2.746 282 T HA -0.088 4.261 4.350 -0.001 0.000 0.267 282 T C 2.131 176.901 174.700 0.118 0.000 1.039 282 T CA 0.885 63.096 62.100 0.184 0.000 1.142 282 T CB -0.219 68.763 68.868 0.190 0.000 0.866 282 T HN 0.098 nan 8.240 nan 0.000 0.444 283 I N 0.853 121.517 120.570 0.156 0.000 2.208 283 I HA -0.184 3.985 4.170 -0.001 0.000 0.245 283 I C 2.706 178.914 176.117 0.153 0.000 1.097 283 I CA 1.447 62.847 61.300 0.166 0.000 1.363 283 I CB -0.364 37.758 38.000 0.204 0.000 1.051 283 I HN 0.327 nan 8.210 nan 0.000 0.413 284 E N 1.037 121.310 120.200 0.122 0.000 2.077 284 E HA -0.300 4.050 4.350 -0.001 0.000 0.193 284 E C 2.144 178.791 176.600 0.077 0.000 0.989 284 E CA 1.383 57.832 56.400 0.082 0.000 0.800 284 E CB -0.031 29.704 29.700 0.060 0.000 0.746 284 E HN 0.456 nan 8.360 nan 0.000 0.452 285 E N -0.118 120.136 120.200 0.090 0.000 2.118 285 E HA -0.175 4.175 4.350 -0.001 0.000 0.195 285 E C 1.968 178.629 176.600 0.102 0.000 0.992 285 E CA 1.274 57.727 56.400 0.089 0.000 0.804 285 E CB 0.182 29.951 29.700 0.115 0.000 0.741 285 E HN 0.180 nan 8.360 nan 0.000 0.458 286 V N 1.096 121.076 119.914 0.109 0.000 2.548 286 V HA -0.196 3.923 4.120 -0.001 0.000 0.249 286 V C 2.295 178.471 176.094 0.138 0.000 1.055 286 V CA 1.168 63.551 62.300 0.139 0.000 1.065 286 V CB -0.280 31.626 31.823 0.138 0.000 0.681 286 V HN 0.332 nan 8.190 nan 0.000 0.462 287 I N 0.557 121.181 120.570 0.090 0.000 2.226 287 I HA -0.207 3.962 4.170 -0.001 0.000 0.245 287 I C 2.370 178.502 176.117 0.025 0.000 1.100 287 I CA 1.284 62.590 61.300 0.010 0.000 1.374 287 I CB -0.471 37.532 38.000 0.005 0.000 1.057 287 I HN 0.365 nan 8.210 nan 0.000 0.413 288 N N 0.107 118.838 118.700 0.052 0.000 2.069 288 N HA -0.249 4.491 4.740 -0.001 0.000 0.191 288 N C 1.844 177.391 175.510 0.062 0.000 1.031 288 N CA 1.362 54.438 53.050 0.043 0.000 0.852 288 N CB -0.764 37.750 38.487 0.045 0.000 1.018 288 N HN 0.460 nan 8.380 nan 0.000 0.423 289 H N 1.148 120.220 119.070 0.003 0.000 2.270 289 H HA 0.001 4.557 4.556 -0.001 0.000 0.299 289 H C 2.090 177.419 175.328 0.002 0.000 1.077 289 H CA 1.288 57.336 56.048 -0.000 0.000 1.294 289 H CB -0.290 29.474 29.762 0.003 0.000 1.371 289 H HN 0.116 nan 8.280 nan 0.000 0.491 290 L N 0.301 121.632 121.223 0.180 0.000 2.093 290 L HA -0.093 4.246 4.340 -0.001 0.000 0.208 290 L C 3.144 179.991 176.870 -0.038 0.000 1.085 290 L CA 0.911 55.796 54.840 0.076 0.000 0.755 290 L CB -0.539 41.562 42.059 0.070 0.000 0.904 290 L HN 0.292 nan 8.230 nan 0.000 0.435 291 A N 0.063 122.857 122.820 -0.043 0.000 1.972 291 A HA -0.116 4.204 4.320 -0.001 0.000 0.219 291 A C 2.464 180.020 177.584 -0.045 0.000 1.169 291 A CA 1.499 53.509 52.037 -0.046 0.000 0.635 291 A CB -0.561 18.419 19.000 -0.032 0.000 0.810 291 A HN 0.389 nan 8.150 nan 0.000 0.446 292 A N -0.483 122.299 122.820 -0.063 0.000 2.121 292 A HA -0.056 4.264 4.320 -0.001 0.000 0.218 292 A C 1.869 179.401 177.584 -0.086 0.000 1.154 292 A CA 1.405 53.399 52.037 -0.073 0.000 0.679 292 A CB -0.260 18.685 19.000 -0.092 0.000 0.795 292 A HN 0.507 nan 8.150 nan 0.000 0.458 293 K N -1.554 118.785 120.400 -0.101 0.000 2.387 293 K HA 0.268 4.588 4.320 -0.001 0.000 0.198 293 K C 0.996 177.568 176.600 -0.047 0.000 1.022 293 K CA 0.459 56.696 56.287 -0.084 0.000 1.128 293 K CB 0.226 32.666 32.500 -0.099 0.000 0.853 293 K HN 0.572 nan 8.250 nan 0.000 0.523 294 G N 1.499 110.276 108.800 -0.039 0.000 2.195 294 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.224 294 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.224 294 G C -0.257 174.629 174.900 -0.022 0.000 0.990 294 G CA -0.413 44.672 45.100 -0.024 0.000 0.639 294 G HN 0.333 nan 8.290 nan 0.000 0.514 295 E N 1.225 121.405 120.200 -0.035 0.000 2.414 295 E HA 0.219 4.568 4.350 -0.001 0.000 0.263 295 E C 0.010 176.581 176.600 -0.048 0.000 1.000 295 E CA 0.075 56.447 56.400 -0.046 0.000 0.914 295 E CB 0.430 30.083 29.700 -0.078 0.000 0.948 295 E HN 0.076 nan 8.360 nan 0.000 0.444 296 K N 4.380 124.765 120.400 -0.026 0.000 2.222 296 K HA 0.262 4.582 4.320 -0.001 0.000 0.243 296 K C 0.146 176.749 176.600 0.005 0.000 1.160 296 K CA -0.021 56.268 56.287 0.004 0.000 1.090 296 K CB -0.797 31.718 32.500 0.026 0.000 1.694 296 K HN 0.452 nan 8.250 nan 0.000 0.361 297 I N -3.006 117.534 120.570 -0.050 0.000 2.892 297 I HA 0.865 5.035 4.170 -0.001 0.000 0.306 297 I C -0.056 176.089 176.117 0.046 0.000 1.078 297 I CA -1.135 60.120 61.300 -0.075 0.000 1.032 297 I CB 2.593 40.235 38.000 -0.596 0.000 1.229 297 I HN 0.230 nan 8.210 nan 0.000 0.435 298 G N 2.705 111.631 108.800 0.209 0.000 2.687 298 G HA2 0.660 4.619 3.960 -0.001 0.000 0.291 298 G HA3 0.660 4.619 3.960 -0.001 0.000 0.291 298 G C -2.215 172.822 174.900 0.228 0.000 1.420 298 G CA -0.733 44.474 45.100 0.178 0.000 0.796 298 G HN 0.778 nan 8.290 nan 0.000 0.485 299 L N -0.433 120.772 121.223 -0.029 0.000 2.455 299 L HA 0.771 5.110 4.340 -0.001 0.000 0.264 299 L C -1.388 175.530 176.870 0.081 0.000 0.968 299 L CA -0.711 54.187 54.840 0.098 0.000 0.827 299 L CB 1.900 44.017 42.059 0.097 0.000 1.317 299 L HN 0.485 nan 8.230 nan 0.000 0.407 300 I N 4.427 125.157 120.570 0.266 0.000 2.330 300 I HA 0.366 4.536 4.170 -0.001 0.000 0.289 300 I C -0.250 176.064 176.117 0.328 0.000 1.001 300 I CA -0.634 60.869 61.300 0.337 0.000 1.193 300 I CB 1.239 39.476 38.000 0.396 0.000 1.345 300 I HN 0.561 nan 8.210 nan 0.000 0.461 301 K N 5.682 126.248 120.400 0.277 0.000 2.276 301 K HA 0.384 4.704 4.320 -0.001 0.000 0.285 301 K C -0.712 176.043 176.600 0.259 0.000 1.062 301 K CA -0.532 55.901 56.287 0.243 0.000 0.918 301 K CB 1.648 34.256 32.500 0.181 0.000 1.055 301 K HN 0.319 nan 8.250 nan 0.000 0.477 302 V N 4.962 125.025 119.914 0.248 0.000 2.408 302 V HA 0.094 4.213 4.120 -0.001 0.000 0.267 302 V C 0.914 176.990 176.094 -0.030 0.000 1.047 302 V CA -0.112 62.252 62.300 0.107 0.000 0.937 302 V CB 0.972 32.974 31.823 0.297 0.000 0.999 302 V HN 0.707 nan 8.190 nan 0.000 0.472 303 R N 3.393 123.769 120.500 -0.206 0.000 2.056 303 R HA 0.313 4.653 4.340 -0.001 0.000 0.215 303 R C 0.307 176.529 176.300 -0.131 0.000 1.205 303 R CA 0.122 56.142 56.100 -0.133 0.000 1.020 303 R CB -0.216 30.025 30.300 -0.099 0.000 0.911 303 R HN 0.543 nan 8.270 nan 0.000 0.451 304 L N 1.598 122.677 121.223 -0.240 0.000 2.268 304 L HA 0.173 4.513 4.340 -0.001 0.000 0.289 304 L C 0.143 176.954 176.870 -0.098 0.000 1.064 304 L CA -0.044 54.729 54.840 -0.111 0.000 0.824 304 L CB 0.706 42.707 42.059 -0.098 0.000 1.202 304 L HN 0.244 nan 8.230 nan 0.000 0.433 305 Y N 4.880 125.198 120.300 0.032 0.000 2.420 305 Y HA 0.295 4.844 4.550 -0.001 0.000 0.292 305 Y C 0.352 176.407 175.900 0.259 0.000 1.119 305 Y CA 0.512 58.734 58.100 0.204 0.000 1.229 305 Y CB 0.293 38.930 38.460 0.295 0.000 1.026 305 Y HN 0.426 nan 8.280 nan 0.000 0.554 306 R N 0.402 120.900 120.500 -0.004 0.000 2.510 306 R HA 0.317 4.657 4.340 -0.001 0.000 0.287 306 R C -3.082 173.191 176.300 -0.045 0.000 1.084 306 R CA -2.300 53.759 56.100 -0.069 0.000 0.934 306 R CB 1.493 31.751 30.300 -0.070 0.000 1.201 306 R HN -0.028 nan 8.270 nan 0.000 0.431 307 P HA 0.102 nan 4.420 nan 0.000 0.269 307 P C -0.582 176.762 177.300 0.073 0.000 1.209 307 P CA -0.159 62.974 63.100 0.055 0.000 0.776 307 P CB 0.368 32.129 31.700 0.102 0.000 0.876 308 F N 3.665 123.588 119.950 -0.045 0.000 2.375 308 F HA 0.244 4.770 4.527 -0.001 0.000 0.362 308 F C -0.382 175.481 175.800 0.105 0.000 1.129 308 F CA -0.300 57.719 58.000 0.030 0.000 1.154 308 F CB 0.349 39.300 39.000 -0.083 0.000 1.205 308 F HN -0.053 nan 8.300 nan 0.000 0.513 309 V N 6.872 126.770 119.914 -0.027 0.000 2.320 309 V HA 0.064 4.184 4.120 -0.001 0.000 0.265 309 V C 0.932 176.988 176.094 -0.064 0.000 1.048 309 V CA 0.241 62.574 62.300 0.054 0.000 0.865 309 V CB 0.461 32.355 31.823 0.118 0.000 1.043 309 V HN 0.931 nan 8.190 nan 0.000 0.474 310 S N 2.807 118.527 115.700 0.032 0.000 2.400 310 S HA -0.256 4.213 4.470 -0.001 0.000 0.232 310 S C 1.664 176.299 174.600 0.059 0.000 1.025 310 S CA 1.532 59.739 58.200 0.012 0.000 0.993 310 S CB -0.226 63.082 63.200 0.181 0.000 0.808 310 S HN 0.852 nan 8.310 nan 0.000 0.478 311 E N 2.104 122.375 120.200 0.119 0.000 2.077 311 E HA -0.129 4.220 4.350 -0.001 0.000 0.193 311 E C 2.109 178.750 176.600 0.068 0.000 0.989 311 E CA 1.075 57.561 56.400 0.143 0.000 0.800 311 E CB -0.581 29.180 29.700 0.103 0.000 0.746 311 E HN 0.643 nan 8.360 nan 0.000 0.452 312 A N 0.380 123.227 122.820 0.045 0.000 1.969 312 A HA -0.110 4.210 4.320 -0.001 0.000 0.218 312 A C 1.946 179.455 177.584 -0.125 0.000 1.169 312 A CA 1.049 53.140 52.037 0.091 0.000 0.635 312 A CB -0.785 18.395 19.000 0.300 0.000 0.810 312 A HN 0.540 nan 8.150 nan 0.000 0.445 313 F N -0.313 119.175 119.950 -0.768 0.000 2.113 313 F HA -0.089 4.438 4.527 -0.001 0.000 0.297 313 F C 1.825 177.221 175.800 -0.672 0.000 1.103 313 F CA 1.449 58.669 58.000 -1.300 0.000 1.248 313 F CB -0.473 37.577 39.000 -1.582 0.000 0.999 313 F HN 0.217 nan 8.300 nan 0.000 0.475 314 F N 0.445 120.127 119.950 -0.447 0.000 2.186 314 F HA -0.072 4.455 4.527 -0.001 0.000 0.299 314 F C 2.575 178.188 175.800 -0.312 0.000 1.090 314 F CA 0.895 58.642 58.000 -0.422 0.000 1.307 314 F CB -0.930 37.938 39.000 -0.222 0.000 1.019 314 F HN 0.075 nan 8.300 nan 0.000 0.489 315 A N -0.161 122.630 122.820 -0.048 0.000 2.076 315 A HA -0.065 4.254 4.320 -0.001 0.000 0.220 315 A C 2.150 179.688 177.584 -0.075 0.000 1.160 315 A CA 1.665 53.684 52.037 -0.029 0.000 0.653 315 A CB -0.894 18.116 19.000 0.017 0.000 0.801 315 A HN 0.313 nan 8.150 nan 0.000 0.455 316 A N -1.591 121.132 122.820 -0.162 0.000 2.267 316 A HA 0.460 4.779 4.320 -0.001 0.000 0.213 316 A C 0.750 178.172 177.584 -0.271 0.000 1.192 316 A CA -0.156 51.814 52.037 -0.112 0.000 0.851 316 A CB 0.028 19.042 19.000 0.024 0.000 0.881 316 A HN 0.401 nan 8.150 nan 0.000 0.494 317 L N 1.841 122.840 121.223 -0.372 0.000 2.265 317 L HA 0.398 4.738 4.340 -0.001 0.000 0.288 317 L C -2.814 173.903 176.870 -0.256 0.000 1.058 317 L CA -1.770 52.868 54.840 -0.337 0.000 0.809 317 L CB 1.289 43.134 42.059 -0.356 0.000 1.179 317 L HN 0.008 nan 8.230 nan 0.000 0.429 318 P HA 0.118 nan 4.420 nan 0.000 0.271 318 P C 0.202 177.457 177.300 -0.074 0.000 1.216 318 P CA -0.130 62.820 63.100 -0.250 0.000 0.771 318 P CB 0.971 32.504 31.700 -0.278 0.000 0.864 319 A N 2.679 125.470 122.820 -0.047 0.000 2.015 319 A HA -0.138 4.181 4.320 -0.001 0.000 0.219 319 A C 1.906 179.503 177.584 0.021 0.000 1.163 319 A CA 1.855 53.893 52.037 0.002 0.000 0.646 319 A CB -1.270 17.724 19.000 -0.010 0.000 0.806 319 A HN 0.582 nan 8.150 nan 0.000 0.448 320 S N -0.325 115.379 115.700 0.007 0.000 2.607 320 S HA 0.434 4.904 4.470 -0.001 0.000 0.224 320 S C 0.904 175.530 174.600 0.045 0.000 0.969 320 S CA 0.267 58.481 58.200 0.024 0.000 0.927 320 S CB -0.651 62.560 63.200 0.018 0.000 0.772 320 S HN 0.839 nan 8.310 nan 0.000 0.533 321 A N 1.496 124.351 122.820 0.058 0.000 2.492 321 A HA 0.421 4.740 4.320 -0.001 0.000 0.254 321 A C 0.956 178.589 177.584 0.082 0.000 1.091 321 A CA -0.355 51.736 52.037 0.089 0.000 0.768 321 A CB 0.289 19.362 19.000 0.122 0.000 1.028 321 A HN 0.466 nan 8.150 nan 0.000 0.498 322 K N 1.187 121.629 120.400 0.071 0.000 2.425 322 K HA 0.276 4.596 4.320 -0.001 0.000 0.201 322 K C -0.770 175.852 176.600 0.036 0.000 1.128 322 K CA 0.385 56.700 56.287 0.046 0.000 1.000 322 K CB 0.964 33.488 32.500 0.040 0.000 0.961 322 K HN 0.497 nan 8.250 nan 0.000 0.555 323 V N 2.275 122.227 119.914 0.063 0.000 2.623 323 V HA 0.424 4.544 4.120 -0.001 0.000 0.304 323 V C -0.869 175.285 176.094 0.099 0.000 1.054 323 V CA -0.750 61.587 62.300 0.062 0.000 0.882 323 V CB 2.028 33.892 31.823 0.069 0.000 1.002 323 V HN 0.060 nan 8.190 nan 0.000 0.424 324 I N 3.187 123.809 120.570 0.087 0.000 2.436 324 I HA 0.488 4.658 4.170 -0.001 0.000 0.289 324 I C -0.149 176.059 176.117 0.151 0.000 1.010 324 I CA -0.175 61.213 61.300 0.147 0.000 1.098 324 I CB 2.439 40.545 38.000 0.177 0.000 1.266 324 I HN 0.518 nan 8.210 nan 0.000 0.434 325 T N 5.657 120.309 114.554 0.164 0.000 2.770 325 T HA 0.421 4.771 4.350 -0.001 0.000 0.283 325 T C -0.260 174.543 174.700 0.172 0.000 0.988 325 T CA -0.419 61.779 62.100 0.164 0.000 0.957 325 T CB 1.427 70.388 68.868 0.155 0.000 0.930 325 T HN 0.140 nan 8.240 nan 0.000 0.443 326 V N 5.129 125.152 119.914 0.183 0.000 2.383 326 V HA 0.372 4.492 4.120 -0.001 0.000 0.275 326 V C -0.422 175.733 176.094 0.102 0.000 1.036 326 V CA -0.893 61.526 62.300 0.198 0.000 0.889 326 V CB 1.152 33.143 31.823 0.280 0.000 0.985 326 V HN 0.588 nan 8.190 nan 0.000 0.459 327 L N 4.897 126.183 121.223 0.105 0.000 2.264 327 L HA 0.522 4.862 4.340 -0.001 0.000 0.289 327 L C 0.071 177.085 176.870 0.240 0.000 1.044 327 L CA 0.160 55.049 54.840 0.081 0.000 0.807 327 L CB 1.086 43.068 42.059 -0.129 0.000 1.192 327 L HN 0.604 nan 8.230 nan 0.000 0.425 328 D N 3.085 123.590 120.400 0.175 0.000 2.278 328 D HA 0.244 4.883 4.640 -0.001 0.000 0.245 328 D C 0.074 176.342 176.300 -0.054 0.000 1.052 328 D CA -0.430 53.656 54.000 0.144 0.000 0.834 328 D CB 2.001 42.812 40.800 0.018 0.000 1.194 328 D HN 0.332 nan 8.370 nan 0.000 0.481 329 R N 1.942 122.324 120.500 -0.196 0.000 4.141 329 R HA 0.182 4.521 4.340 -0.001 0.000 0.281 329 R C -0.396 175.735 176.300 -0.281 0.000 1.608 329 R CA 0.085 55.765 56.100 -0.699 0.000 1.426 329 R CB 0.077 29.680 30.300 -1.161 0.000 1.432 329 R HN 0.349 nan 8.270 nan 0.000 0.708 330 T N -0.732 113.751 114.554 -0.120 0.000 2.693 330 T HA 0.273 4.622 4.350 -0.001 0.000 0.304 330 T C -2.029 172.632 174.700 -0.066 0.000 1.471 330 T CA -0.750 61.335 62.100 -0.026 0.000 0.993 330 T CB 1.461 70.428 68.868 0.165 0.000 1.554 330 T HN 0.244 nan 8.240 nan 0.000 0.496 331 K N 1.673 122.046 120.400 -0.045 0.000 2.565 331 K HA 0.446 4.765 4.320 -0.001 0.000 0.249 331 K C -1.416 175.155 176.600 -0.048 0.000 0.958 331 K CA -0.437 55.815 56.287 -0.058 0.000 0.806 331 K CB 1.313 33.785 32.500 -0.047 0.000 1.194 331 K HN 0.599 nan 8.250 nan 0.000 0.434 332 E N 5.120 125.279 120.200 -0.067 0.000 2.256 332 E HA 0.237 4.587 4.350 -0.001 0.000 0.243 332 E C -2.496 174.070 176.600 -0.056 0.000 0.925 332 E CA -2.035 54.330 56.400 -0.058 0.000 0.748 332 E CB 1.439 31.093 29.700 -0.077 0.000 1.206 332 E HN 0.395 nan 8.360 nan 0.000 0.428 333 P HA -0.062 nan 4.420 nan 0.000 0.264 333 P C 0.953 178.226 177.300 -0.045 0.000 1.183 333 P CA 0.925 64.000 63.100 -0.042 0.000 0.763 333 P CB 0.577 32.263 31.700 -0.024 0.000 0.807 334 G N 1.701 110.468 108.800 -0.056 0.000 2.245 334 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.264 334 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.264 334 G C 0.523 175.387 174.900 -0.061 0.000 0.985 334 G CA 0.124 45.191 45.100 -0.055 0.000 0.625 334 G HN 0.882 nan 8.290 nan 0.000 0.536 335 A N 0.984 123.765 122.820 -0.065 0.000 2.386 335 A HA 0.664 4.983 4.320 -0.001 0.000 0.248 335 A C 0.082 177.620 177.584 -0.077 0.000 1.082 335 A CA -0.152 51.850 52.037 -0.058 0.000 0.789 335 A CB 0.469 19.436 19.000 -0.055 0.000 1.025 335 A HN 0.238 nan 8.150 nan 0.000 0.490 336 P HA 0.155 nan 4.420 nan 0.000 0.242 336 P C 0.444 177.750 177.300 0.010 0.000 1.197 336 P CA 1.243 64.318 63.100 -0.042 0.000 0.765 336 P CB 0.127 31.841 31.700 0.023 0.000 0.936 337 G N -0.547 108.271 108.800 0.030 0.000 2.404 337 G HA2 0.139 4.098 3.960 -0.001 0.000 0.298 337 G HA3 0.139 4.098 3.960 -0.001 0.000 0.298 337 G C -1.844 173.085 174.900 0.048 0.000 1.577 337 G CA -0.676 44.481 45.100 0.094 0.000 0.847 337 G HN -0.208 nan 8.290 nan 0.000 0.598 338 D N 1.338 121.728 120.400 -0.017 0.000 2.357 338 D HA 0.280 4.919 4.640 -0.001 0.000 0.242 338 D C -1.161 175.076 176.300 -0.105 0.000 1.153 338 D CA -1.195 52.739 54.000 -0.110 0.000 0.918 338 D CB 1.447 42.155 40.800 -0.154 0.000 1.181 338 D HN 0.022 nan 8.370 nan 0.000 0.435 339 P HA -0.223 nan 4.420 nan 0.000 0.216 339 P C 1.572 178.833 177.300 -0.066 0.000 1.167 339 P CA 0.901 63.814 63.100 -0.311 0.000 0.933 339 P CB 0.120 31.297 31.700 -0.873 0.000 0.793 340 L N -2.010 119.211 121.223 -0.004 0.000 2.042 340 L HA -0.185 4.154 4.340 -0.001 0.000 0.210 340 L C 2.441 179.378 176.870 0.111 0.000 1.076 340 L CA 1.718 56.683 54.840 0.208 0.000 0.749 340 L CB -1.710 40.526 42.059 0.296 0.000 0.893 340 L HN -0.034 nan 8.230 nan 0.000 0.432 341 Y N -0.458 119.828 120.300 -0.023 0.000 2.128 341 Y HA -0.248 4.302 4.550 -0.001 0.000 0.284 341 Y C 2.226 178.091 175.900 -0.059 0.000 1.154 341 Y CA 1.972 60.053 58.100 -0.030 0.000 1.149 341 Y CB -0.344 38.092 38.460 -0.041 0.000 0.976 341 Y HN 0.182 nan 8.280 nan 0.000 0.505 342 L N -0.113 121.052 121.223 -0.096 0.000 2.083 342 L HA -0.219 4.120 4.340 -0.001 0.000 0.209 342 L C 2.069 178.752 176.870 -0.312 0.000 1.083 342 L CA 1.481 56.188 54.840 -0.221 0.000 0.752 342 L CB -0.644 41.365 42.059 -0.083 0.000 0.899 342 L HN 0.236 nan 8.230 nan 0.000 0.433 343 D N -0.221 119.958 120.400 -0.368 0.000 2.117 343 D HA -0.133 4.507 4.640 -0.001 0.000 0.198 343 D C 2.351 178.238 176.300 -0.689 0.000 0.982 343 D CA 1.081 54.652 54.000 -0.715 0.000 0.828 343 D CB -0.150 39.927 40.800 -1.205 0.000 0.967 343 D HN 0.112 nan 8.370 nan 0.000 0.464 344 V N 0.751 120.382 119.914 -0.472 0.000 2.358 344 V HA -0.245 3.875 4.120 -0.001 0.000 0.246 344 V C 2.743 178.762 176.094 -0.125 0.000 1.047 344 V CA 1.156 63.237 62.300 -0.364 0.000 1.035 344 V CB -0.543 31.174 31.823 -0.176 0.000 0.658 344 V HN 0.273 nan 8.190 nan 0.000 0.452 345 C N 0.725 119.884 119.300 -0.234 0.000 2.413 345 C HA -0.172 4.287 4.460 -0.001 0.000 0.276 345 C C 3.324 178.299 174.990 -0.025 0.000 1.248 345 C CA 1.655 60.585 59.018 -0.146 0.000 1.742 345 C CB -1.131 26.371 27.740 -0.397 0.000 2.017 345 C HN 0.786 nan 8.230 nan 0.000 0.481 346 S N 1.560 117.184 115.700 -0.127 0.000 2.382 346 S HA -0.115 4.355 4.470 -0.001 0.000 0.228 346 S C 1.950 176.550 174.600 0.001 0.000 1.027 346 S CA 1.550 59.705 58.200 -0.074 0.000 0.991 346 S CB -0.491 62.626 63.200 -0.140 0.000 0.823 346 S HN 0.624 nan 8.310 nan 0.000 0.469 347 A N 1.006 123.803 122.820 -0.039 0.000 1.877 347 A HA 0.120 4.440 4.320 -0.001 0.000 0.216 347 A C 1.936 179.643 177.584 0.206 0.000 1.186 347 A CA 1.383 53.438 52.037 0.029 0.000 0.620 347 A CB -1.124 17.700 19.000 -0.293 0.000 0.822 347 A HN 0.577 nan 8.150 nan 0.000 0.443 348 F N -0.072 120.043 119.950 0.276 0.000 2.186 348 F HA -0.162 4.364 4.527 -0.001 0.000 0.299 348 F C 2.572 178.455 175.800 0.138 0.000 1.090 348 F CA 1.669 59.843 58.000 0.289 0.000 1.307 348 F CB -0.337 38.784 39.000 0.202 0.000 1.019 348 F HN 0.191 nan 8.300 nan 0.000 0.489 349 V N -1.517 118.543 119.914 0.242 0.000 2.427 349 V HA -0.220 3.899 4.120 -0.001 0.000 0.248 349 V C 1.884 178.037 176.094 0.098 0.000 1.051 349 V CA 2.180 64.563 62.300 0.137 0.000 1.048 349 V CB -0.751 31.120 31.823 0.080 0.000 0.666 349 V HN 0.429 nan 8.190 nan 0.000 0.456 350 E N 0.215 120.472 120.200 0.095 0.000 2.208 350 E HA -0.194 4.155 4.350 -0.001 0.000 0.193 350 E C 2.441 179.068 176.600 0.046 0.000 0.988 350 E CA 0.800 57.240 56.400 0.066 0.000 0.828 350 E CB -0.153 29.590 29.700 0.071 0.000 0.763 350 E HN 0.616 nan 8.360 nan 0.000 0.478 351 R N 0.253 120.779 120.500 0.044 0.000 2.092 351 R HA -0.100 4.239 4.340 -0.001 0.000 0.231 351 R C 0.942 177.214 176.300 -0.047 0.000 1.119 351 R CA 1.237 57.289 56.100 -0.080 0.000 0.970 351 R CB -0.417 29.714 30.300 -0.280 0.000 0.864 351 R HN 0.271 nan 8.270 nan 0.000 0.440 352 G N 1.294 110.106 108.800 0.020 0.000 2.314 352 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.292 352 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.292 352 G C -0.371 174.536 174.900 0.011 0.000 1.059 352 G CA 1.054 46.169 45.100 0.025 0.000 0.982 352 G HN 0.576 nan 8.290 nan 0.000 0.505 353 E N -0.600 119.615 120.200 0.026 0.000 4.380 353 E HA 0.695 5.044 4.350 -0.001 0.000 0.137 353 E C 0.925 177.560 176.600 0.058 0.000 1.142 353 E CA -0.598 55.812 56.400 0.016 0.000 0.794 353 E CB -0.060 29.621 29.700 -0.032 0.000 1.904 353 E HN 0.891 nan 8.360 nan 0.000 0.423 354 A N 1.639 124.497 122.820 0.062 0.000 2.546 354 A HA 0.201 4.521 4.320 -0.001 0.000 0.243 354 A C -0.238 177.429 177.584 0.139 0.000 1.063 354 A CA 0.607 52.694 52.037 0.083 0.000 0.757 354 A CB -0.119 18.930 19.000 0.082 0.000 0.991 354 A HN 0.287 nan 8.150 nan 0.000 0.503 355 M N 5.171 124.811 119.600 0.065 0.000 2.065 355 M HA 0.274 4.754 4.480 -0.001 0.000 0.332 355 M C -2.228 174.018 176.300 -0.089 0.000 0.988 355 M CA -2.000 53.298 55.300 -0.003 0.000 0.944 355 M CB 0.539 33.143 32.600 0.007 0.000 1.357 355 M HN 0.556 nan 8.290 nan 0.000 0.388 356 P HA 0.257 nan 4.420 nan 0.000 0.275 356 P C -0.495 176.705 177.300 -0.167 0.000 1.266 356 P CA -0.531 62.489 63.100 -0.135 0.000 0.793 356 P CB 0.956 32.591 31.700 -0.108 0.000 1.074 357 K N 0.865 121.217 120.400 -0.079 0.000 2.383 357 K HA 0.266 4.585 4.320 -0.001 0.000 0.286 357 K C -0.517 176.051 176.600 -0.053 0.000 1.051 357 K CA 0.247 56.504 56.287 -0.049 0.000 0.974 357 K CB -0.879 31.618 32.500 -0.005 0.000 0.968 357 K HN 0.317 nan 8.250 nan 0.000 0.475 358 I N 6.374 126.917 120.570 -0.046 0.000 2.404 358 I HA 0.323 4.492 4.170 -0.001 0.000 0.293 358 I C -0.456 175.731 176.117 0.117 0.000 0.992 358 I CA -0.842 60.468 61.300 0.016 0.000 1.149 358 I CB 1.033 39.008 38.000 -0.041 0.000 1.315 358 I HN 0.378 nan 8.210 nan 0.000 0.446 359 L N 5.297 126.601 121.223 0.134 0.000 2.341 359 L HA 0.814 5.154 4.340 -0.001 0.000 0.267 359 L C -0.239 176.625 176.870 -0.010 0.000 1.009 359 L CA -0.830 54.045 54.840 0.059 0.000 0.819 359 L CB 2.093 44.225 42.059 0.121 0.000 1.323 359 L HN 0.626 nan 8.230 nan 0.000 0.425 360 A N 0.958 123.539 122.820 -0.398 0.000 2.318 360 A HA 0.861 5.181 4.320 -0.001 0.000 0.324 360 A C -0.203 176.900 177.584 -0.802 0.000 1.170 360 A CA -0.351 51.321 52.037 -0.608 0.000 0.810 360 A CB 1.433 19.691 19.000 -1.237 0.000 1.198 360 A HN 0.772 nan 8.150 nan 0.000 0.484 361 G N 0.864 109.166 108.800 -0.830 0.000 2.591 361 G HA2 0.593 4.552 3.960 -0.001 0.000 0.306 361 G HA3 0.593 4.552 3.960 -0.001 0.000 0.306 361 G C -0.800 173.762 174.900 -0.563 0.000 1.334 361 G CA -0.687 43.507 45.100 -1.512 0.000 0.981 361 G HN 0.873 nan 8.290 nan 0.000 0.491 362 R N 0.575 120.824 120.500 -0.417 0.000 2.562 362 R HA 0.721 5.060 4.340 -0.001 0.000 0.298 362 R C -1.207 175.121 176.300 0.047 0.000 0.961 362 R CA -0.765 55.258 56.100 -0.128 0.000 0.881 362 R CB 1.380 31.593 30.300 -0.144 0.000 1.159 362 R HN 0.733 nan 8.270 nan 0.000 0.450 363 Y N 0.113 120.315 120.300 -0.164 0.000 2.705 363 Y HA 0.532 5.081 4.550 -0.001 0.000 0.332 363 Y C 0.471 176.284 175.900 -0.144 0.000 1.221 363 Y CA -1.006 57.011 58.100 -0.138 0.000 1.059 363 Y CB 0.517 38.787 38.460 -0.317 0.000 1.298 363 Y HN 0.729 nan 8.280 nan 0.000 0.459 364 G N 1.003 109.727 108.800 -0.126 0.000 2.337 364 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.290 364 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.290 364 G C -0.562 174.213 174.900 -0.208 0.000 1.003 364 G CA 0.378 45.376 45.100 -0.170 0.000 0.825 364 G HN 0.603 nan 8.290 nan 0.000 0.509 365 L N 0.277 121.402 121.223 -0.165 0.000 2.499 365 L HA 0.485 4.825 4.340 -0.001 0.000 0.273 365 L C 1.707 178.557 176.870 -0.034 0.000 1.195 365 L CA 1.373 56.149 54.840 -0.106 0.000 0.882 365 L CB 0.439 42.454 42.059 -0.073 0.000 1.133 365 L HN 1.244 nan 8.230 nan 0.000 0.483 366 G N 2.975 111.786 108.800 0.018 0.000 2.338 366 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.296 366 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.296 366 G C 0.778 175.724 174.900 0.077 0.000 1.040 366 G CA 0.486 45.647 45.100 0.102 0.000 1.004 366 G HN 0.856 nan 8.290 nan 0.000 0.509 367 S N -2.312 113.441 115.700 0.090 0.000 3.521 367 S HA -0.244 4.225 4.470 -0.001 0.000 0.328 367 S C 1.123 175.712 174.600 -0.018 0.000 1.165 367 S CA 1.910 60.155 58.200 0.074 0.000 0.941 367 S CB -0.619 62.672 63.200 0.151 0.000 0.951 367 S HN 1.530 nan 8.310 nan 0.000 0.539 368 K N 2.495 122.883 120.400 -0.020 0.000 2.485 368 K HA 0.073 4.392 4.320 -0.001 0.000 0.277 368 K C 0.263 176.900 176.600 0.063 0.000 0.990 368 K CA 0.392 56.676 56.287 -0.005 0.000 0.994 368 K CB 0.413 32.922 32.500 0.016 0.000 0.906 368 K HN 0.149 nan 8.250 nan 0.000 0.488 369 E N 2.728 122.959 120.200 0.052 0.000 2.442 369 E HA -0.064 4.285 4.350 -0.001 0.000 0.262 369 E C -0.774 175.957 176.600 0.217 0.000 1.004 369 E CA 0.523 56.978 56.400 0.092 0.000 0.928 369 E CB 0.227 29.948 29.700 0.033 0.000 0.937 369 E HN 0.538 nan 8.360 nan 0.000 0.446 370 F N 2.787 122.772 119.950 0.057 0.000 2.564 370 F HA 0.132 4.659 4.527 -0.001 0.000 0.368 370 F C 0.110 175.882 175.800 -0.046 0.000 1.127 370 F CA -0.477 57.552 58.000 0.048 0.000 1.170 370 F CB 0.446 39.523 39.000 0.129 0.000 1.397 370 F HN 0.293 nan 8.300 nan 0.000 0.493 371 S N 3.773 119.225 115.700 -0.414 0.000 2.707 371 S HA 0.522 4.992 4.470 -0.001 0.000 0.276 371 S C -2.111 172.052 174.600 -0.728 0.000 1.179 371 S CA -1.280 56.556 58.200 -0.607 0.000 0.992 371 S CB 1.572 64.533 63.200 -0.398 0.000 1.030 371 S HN 0.336 nan 8.310 nan 0.000 0.554 372 P HA -0.063 nan 4.420 nan 0.000 0.216 372 P C 1.551 178.659 177.300 -0.321 0.000 1.153 372 P CA 1.989 64.866 63.100 -0.371 0.000 0.858 372 P CB -0.268 31.325 31.700 -0.178 0.000 0.789 373 A N -1.129 121.546 122.820 -0.242 0.000 1.933 373 A HA -0.199 4.121 4.320 -0.001 0.000 0.218 373 A C 2.148 179.483 177.584 -0.415 0.000 1.175 373 A CA 1.820 53.644 52.037 -0.355 0.000 0.628 373 A CB -1.405 17.520 19.000 -0.124 0.000 0.814 373 A HN 0.138 nan 8.150 nan 0.000 0.444 374 M N -0.918 118.443 119.600 -0.399 0.000 2.254 374 M HA -0.087 4.393 4.480 -0.001 0.000 0.265 374 M C 1.979 178.040 176.300 -0.398 0.000 1.066 374 M CA 0.995 56.085 55.300 -0.350 0.000 1.123 374 M CB -0.249 32.150 32.600 -0.335 0.000 1.388 374 M HN 0.241 nan 8.290 nan 0.000 0.425 375 V N 0.327 119.910 119.914 -0.552 0.000 2.427 375 V HA -0.229 3.891 4.120 -0.001 0.000 0.248 375 V C 2.357 178.322 176.094 -0.214 0.000 1.051 375 V CA 1.598 63.687 62.300 -0.351 0.000 1.048 375 V CB -0.648 31.024 31.823 -0.251 0.000 0.666 375 V HN 0.359 nan 8.190 nan 0.000 0.456 376 K N 0.857 121.024 120.400 -0.390 0.000 2.032 376 K HA -0.143 4.176 4.320 -0.001 0.000 0.209 376 K C 2.361 178.806 176.600 -0.259 0.000 1.048 376 K CA 1.996 58.027 56.287 -0.427 0.000 0.927 376 K CB -0.804 31.074 32.500 -1.036 0.000 0.712 376 K HN 0.378 nan 8.250 nan 0.000 0.441 377 S N -0.234 115.295 115.700 -0.285 0.000 2.365 377 S HA -0.143 4.327 4.470 -0.001 0.000 0.225 377 S C 1.920 176.371 174.600 -0.248 0.000 1.039 377 S CA 1.531 59.592 58.200 -0.233 0.000 1.033 377 S CB -0.418 62.655 63.200 -0.211 0.000 0.887 377 S HN 0.160 nan 8.310 nan 0.000 0.447 378 V N 0.164 119.930 119.914 -0.246 0.000 2.332 378 V HA -0.209 3.910 4.120 -0.001 0.000 0.248 378 V C 1.838 177.775 176.094 -0.261 0.000 1.055 378 V CA 1.719 63.846 62.300 -0.287 0.000 1.038 378 V CB -0.823 30.890 31.823 -0.183 0.000 0.651 378 V HN 0.538 nan 8.190 nan 0.000 0.450 379 Y N 0.070 120.313 120.300 -0.094 0.000 2.263 379 Y HA -0.154 4.395 4.550 -0.001 0.000 0.292 379 Y C 2.554 178.408 175.900 -0.077 0.000 1.130 379 Y CA 1.305 59.370 58.100 -0.057 0.000 1.179 379 Y CB -0.136 38.295 38.460 -0.049 0.000 0.998 379 Y HN 0.270 nan 8.280 nan 0.000 0.532 380 D N -0.229 120.187 120.400 0.026 0.000 2.144 380 D HA -0.179 4.461 4.640 -0.001 0.000 0.199 380 D C 1.745 178.009 176.300 -0.059 0.000 0.984 380 D CA 1.111 55.097 54.000 -0.023 0.000 0.834 380 D CB -0.487 40.271 40.800 -0.070 0.000 0.955 380 D HN 0.284 nan 8.370 nan 0.000 0.465 381 N N 0.246 118.868 118.700 -0.131 0.000 2.166 381 N HA -0.115 4.625 4.740 -0.001 0.000 0.186 381 N C 1.720 177.181 175.510 -0.081 0.000 1.019 381 N CA 0.957 53.907 53.050 -0.167 0.000 0.856 381 N CB -0.150 38.120 38.487 -0.361 0.000 0.993 381 N HN 0.094 nan 8.380 nan 0.000 0.426 382 M N -0.583 118.996 119.600 -0.035 0.000 2.374 382 M HA -0.063 4.416 4.480 -0.001 0.000 0.264 382 M C 1.359 177.680 176.300 0.035 0.000 1.067 382 M CA 1.237 56.551 55.300 0.024 0.000 1.103 382 M CB -0.076 32.571 32.600 0.077 0.000 1.402 382 M HN 0.330 nan 8.290 nan 0.000 0.444 383 S N -1.678 114.039 115.700 0.029 0.000 2.523 383 S HA 0.262 4.732 4.470 -0.001 0.000 0.217 383 S C 1.059 175.664 174.600 0.008 0.000 0.996 383 S CA -0.063 58.152 58.200 0.026 0.000 0.921 383 S CB 0.267 63.487 63.200 0.034 0.000 0.829 383 S HN 0.395 nan 8.310 nan 0.000 0.495 384 G N 1.383 110.177 108.800 -0.008 0.000 3.441 384 G HA2 0.587 4.546 3.960 -0.001 0.000 0.195 384 G HA3 0.587 4.546 3.960 -0.001 0.000 0.195 384 G C 1.311 176.200 174.900 -0.018 0.000 1.633 384 G CA 0.005 45.095 45.100 -0.017 0.000 0.895 384 G HN 0.424 nan 8.290 nan 0.000 0.654 385 A N -0.568 122.234 122.820 -0.031 0.000 1.908 385 A HA 0.073 4.392 4.320 -0.001 0.000 0.218 385 A C 1.395 178.970 177.584 -0.016 0.000 1.181 385 A CA 2.256 54.280 52.037 -0.023 0.000 0.627 385 A CB -0.617 18.363 19.000 -0.032 0.000 0.818 385 A HN 0.672 nan 8.150 nan 0.000 0.445 386 K N -1.435 118.947 120.400 -0.029 0.000 3.200 386 K HA -0.150 4.170 4.320 -0.001 0.000 0.272 386 K C -0.083 176.526 176.600 0.014 0.000 1.150 386 K CA 0.844 57.126 56.287 -0.009 0.000 0.801 386 K CB -1.551 30.955 32.500 0.009 0.000 1.269 386 K HN 0.696 nan 8.250 nan 0.000 0.500 387 K N 1.359 121.759 120.400 -0.000 0.000 2.485 387 K HA 0.031 4.351 4.320 -0.001 0.000 0.277 387 K C 0.137 176.829 176.600 0.153 0.000 0.990 387 K CA 0.099 56.420 56.287 0.057 0.000 0.994 387 K CB 0.475 33.000 32.500 0.041 0.000 0.906 387 K HN 0.122 nan 8.250 nan 0.000 0.488 388 N N 1.381 120.149 118.700 0.113 0.000 2.459 388 N HA 0.156 4.895 4.740 -0.001 0.000 0.288 388 N C -1.173 174.333 175.510 -0.007 0.000 1.186 388 N CA -0.228 52.820 53.050 -0.003 0.000 0.917 388 N CB 0.552 38.963 38.487 -0.128 0.000 1.219 388 N HN 0.704 nan 8.380 nan 0.000 0.525 389 H N -0.574 118.412 119.070 -0.141 0.000 2.527 389 H HA -0.212 4.344 4.556 -0.001 0.000 0.321 389 H C -0.578 174.669 175.328 -0.135 0.000 1.092 389 H CA 1.023 56.927 56.048 -0.240 0.000 1.118 389 H CB -1.789 27.867 29.762 -0.176 0.000 1.536 389 H HN 0.343 nan 8.280 nan 0.000 0.407 390 F N -1.129 118.812 119.950 -0.016 0.000 2.411 390 F HA 0.733 5.260 4.527 -0.001 0.000 0.324 390 F C 0.498 176.304 175.800 0.009 0.000 1.086 390 F CA -0.584 57.416 58.000 -0.000 0.000 1.028 390 F CB 1.088 40.080 39.000 -0.013 0.000 1.284 390 F HN 0.050 nan 8.300 nan 0.000 0.501 391 T N -0.408 114.329 114.554 0.304 0.000 2.908 391 T HA 0.701 5.051 4.350 -0.001 0.000 0.290 391 T C -1.277 173.636 174.700 0.355 0.000 1.034 391 T CA -0.889 61.335 62.100 0.207 0.000 1.010 391 T CB 1.525 70.454 68.868 0.101 0.000 1.068 391 T HN 1.060 nan 8.240 nan 0.000 0.481 392 V N 1.062 121.163 119.914 0.311 0.000 2.668 392 V HA 0.694 4.813 4.120 -0.001 0.000 0.304 392 V C 0.541 176.774 176.094 0.232 0.000 1.071 392 V CA 0.789 63.257 62.300 0.279 0.000 0.894 392 V CB 0.988 33.031 31.823 0.366 0.000 1.008 392 V HN 1.711 nan 8.190 nan 0.000 0.425 393 G N 5.410 114.299 108.800 0.149 0.000 2.229 393 G HA2 -0.092 3.868 3.960 -0.001 0.000 0.189 393 G HA3 -0.092 3.868 3.960 -0.001 0.000 0.189 393 G C -0.156 174.791 174.900 0.078 0.000 1.000 393 G CA 0.112 45.284 45.100 0.120 0.000 0.663 393 G HN 1.718 nan 8.290 nan 0.000 0.493 394 I N -2.665 117.951 120.570 0.077 0.000 3.074 394 I HA 0.848 5.017 4.170 -0.001 0.000 0.310 394 I C -0.711 175.441 176.117 0.060 0.000 1.153 394 I CA -1.430 59.907 61.300 0.062 0.000 0.993 394 I CB 2.289 40.320 38.000 0.053 0.000 1.237 394 I HN -0.023 nan 8.210 nan 0.000 0.443 395 E N 2.496 122.731 120.200 0.058 0.000 2.063 395 E HA 0.147 4.496 4.350 -0.001 0.000 0.265 395 E C -1.364 175.268 176.600 0.054 0.000 0.919 395 E CA -0.483 55.947 56.400 0.049 0.000 0.756 395 E CB 0.902 30.626 29.700 0.040 0.000 1.120 395 E HN 0.638 nan 8.360 nan 0.000 0.414 396 D N 4.433 124.863 120.400 0.050 0.000 2.494 396 D HA -0.010 4.630 4.640 -0.001 0.000 0.217 396 D C 0.164 176.486 176.300 0.037 0.000 1.153 396 D CA -0.416 53.612 54.000 0.047 0.000 0.954 396 D CB 0.527 41.355 40.800 0.046 0.000 1.034 396 D HN 0.432 nan 8.370 nan 0.000 0.518 397 D N 1.995 122.416 120.400 0.034 0.000 2.328 397 D HA -0.059 4.580 4.640 -0.001 0.000 0.226 397 D C 1.124 177.436 176.300 0.019 0.000 1.066 397 D CA -0.033 53.980 54.000 0.022 0.000 0.861 397 D CB 0.356 41.165 40.800 0.015 0.000 0.912 397 D HN 0.254 nan 8.370 nan 0.000 0.521 398 V N 0.407 120.336 119.914 0.025 0.000 2.690 398 V HA -0.026 4.093 4.120 -0.001 0.000 0.240 398 V C 2.143 178.247 176.094 0.016 0.000 1.078 398 V CA 1.784 64.096 62.300 0.020 0.000 1.102 398 V CB 0.214 32.052 31.823 0.025 0.000 0.800 398 V HN 0.412 nan 8.190 nan 0.000 0.479 399 T N -2.428 112.137 114.554 0.019 0.000 3.044 399 T HA 0.336 4.685 4.350 -0.001 0.000 0.260 399 T C 1.385 176.099 174.700 0.023 0.000 1.019 399 T CA 0.511 62.620 62.100 0.016 0.000 0.921 399 T CB 0.644 69.518 68.868 0.010 0.000 1.053 399 T HN 0.840 nan 8.240 nan 0.000 0.533 400 G N 2.466 111.282 108.800 0.027 0.000 2.323 400 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.292 400 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.292 400 G C 0.706 175.634 174.900 0.046 0.000 1.040 400 G CA 0.753 45.872 45.100 0.032 0.000 0.942 400 G HN 0.874 nan 8.290 nan 0.000 0.506 401 T N -2.596 111.992 114.554 0.058 0.000 3.060 401 T HA 0.446 4.796 4.350 -0.001 0.000 0.249 401 T C 1.432 176.212 174.700 0.133 0.000 1.079 401 T CA 0.872 63.026 62.100 0.091 0.000 1.013 401 T CB 0.234 69.147 68.868 0.076 0.000 0.975 401 T HN 1.398 nan 8.240 nan 0.000 0.518 402 S N 1.746 117.505 115.700 0.097 0.000 2.565 402 S HA 0.578 5.047 4.470 -0.001 0.000 0.274 402 S C -0.053 174.580 174.600 0.055 0.000 1.309 402 S CA -0.983 57.279 58.200 0.104 0.000 1.043 402 S CB 0.521 63.765 63.200 0.074 0.000 0.939 402 S HN 0.394 nan 8.310 nan 0.000 0.504 403 L N 3.508 124.748 121.223 0.029 0.000 2.326 403 L HA 0.415 4.755 4.340 -0.001 0.000 0.278 403 L C -1.783 175.053 176.870 -0.057 0.000 1.092 403 L CA -2.076 52.711 54.840 -0.089 0.000 0.810 403 L CB 0.615 42.527 42.059 -0.245 0.000 1.153 403 L HN 0.547 nan 8.230 nan 0.000 0.439 404 P HA 0.108 nan 4.420 nan 0.000 0.271 404 P C -0.921 176.338 177.300 -0.067 0.000 1.218 404 P CA -0.209 62.862 63.100 -0.048 0.000 0.780 404 P CB 1.536 33.210 31.700 -0.044 0.000 0.901 405 V N 2.982 122.865 119.914 -0.052 0.000 2.407 405 V HA 0.151 4.271 4.120 -0.001 0.000 0.291 405 V C -0.027 176.034 176.094 -0.055 0.000 1.018 405 V CA -0.409 61.848 62.300 -0.071 0.000 0.842 405 V CB 1.459 33.245 31.823 -0.061 0.000 0.996 405 V HN 0.535 nan 8.190 nan 0.000 0.426 406 D N 4.017 124.378 120.400 -0.066 0.000 2.393 406 D HA 0.153 4.793 4.640 -0.001 0.000 0.232 406 D C 0.910 177.211 176.300 0.001 0.000 1.192 406 D CA -0.056 53.928 54.000 -0.026 0.000 0.882 406 D CB 0.643 41.432 40.800 -0.019 0.000 1.038 406 D HN 0.442 nan 8.370 nan 0.000 0.499 407 N N 2.511 121.217 118.700 0.009 0.000 2.571 407 N HA -0.056 4.683 4.740 -0.001 0.000 0.189 407 N C 0.944 176.486 175.510 0.053 0.000 1.154 407 N CA 0.127 53.192 53.050 0.026 0.000 0.907 407 N CB 0.441 38.934 38.487 0.011 0.000 0.977 407 N HN 0.429 nan 8.380 nan 0.000 0.449 408 A N 0.214 123.072 122.820 0.064 0.000 2.251 408 A HA 0.084 4.404 4.320 -0.001 0.000 0.209 408 A C 0.591 178.236 177.584 0.103 0.000 1.187 408 A CA -0.557 51.517 52.037 0.061 0.000 0.823 408 A CB -0.508 18.521 19.000 0.048 0.000 0.846 408 A HN 0.283 nan 8.150 nan 0.000 0.486 409 F N 1.091 121.008 119.950 -0.054 0.000 2.629 409 F HA 0.262 4.788 4.527 -0.001 0.000 0.369 409 F C 0.994 176.748 175.800 -0.076 0.000 1.125 409 F CA -0.272 57.684 58.000 -0.073 0.000 1.330 409 F CB 0.532 39.462 39.000 -0.117 0.000 1.071 409 F HN 0.299 nan 8.300 nan 0.000 0.595 410 A N 5.475 127.882 122.820 -0.689 0.000 2.445 410 A HA 0.024 4.343 4.320 -0.001 0.000 0.242 410 A C -0.033 177.170 177.584 -0.636 0.000 1.075 410 A CA -0.445 51.261 52.037 -0.552 0.000 0.777 410 A CB 0.069 18.821 19.000 -0.413 0.000 1.013 410 A HN 0.833 nan 8.150 nan 0.000 0.493 411 D N 1.118 121.338 120.400 -0.299 0.000 2.458 411 D HA 0.043 4.683 4.640 -0.001 0.000 0.243 411 D C 0.929 177.076 176.300 -0.255 0.000 1.146 411 D CA 1.131 55.017 54.000 -0.190 0.000 0.877 411 D CB 0.677 41.442 40.800 -0.058 0.000 1.176 411 D HN 0.559 nan 8.370 nan 0.000 0.461 412 T N -0.654 113.771 114.554 -0.216 0.000 3.129 412 T HA 0.077 4.427 4.350 -0.001 0.000 0.267 412 T C 0.894 175.598 174.700 0.006 0.000 1.018 412 T CA -0.439 61.546 62.100 -0.192 0.000 0.903 412 T CB -0.100 68.594 68.868 -0.289 0.000 1.067 412 T HN 0.423 nan 8.240 nan 0.000 0.549 413 T N 1.444 116.023 114.554 0.043 0.000 2.926 413 T HA 0.373 4.723 4.350 -0.001 0.000 0.307 413 T C -2.521 172.204 174.700 0.041 0.000 1.059 413 T CA -1.206 60.926 62.100 0.053 0.000 1.122 413 T CB -0.008 68.886 68.868 0.042 0.000 0.972 413 T HN -0.000 nan 8.240 nan 0.000 0.545 414 P HA 0.097 nan 4.420 nan 0.000 0.269 414 P C -0.093 177.228 177.300 0.035 0.000 1.205 414 P CA -0.308 62.807 63.100 0.025 0.000 0.780 414 P CB 0.370 32.068 31.700 -0.003 0.000 0.858 415 K N 1.482 121.903 120.400 0.035 0.000 2.472 415 K HA 0.229 4.549 4.320 -0.001 0.000 0.280 415 K C 1.051 177.681 176.600 0.049 0.000 1.028 415 K CA 1.129 57.441 56.287 0.040 0.000 1.045 415 K CB -0.691 31.829 32.500 0.034 0.000 0.902 415 K HN 0.776 nan 8.250 nan 0.000 0.478 416 G N 2.551 111.386 108.800 0.058 0.000 2.144 416 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.218 416 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.218 416 G C -0.010 174.944 174.900 0.091 0.000 0.988 416 G CA 0.030 45.173 45.100 0.072 0.000 0.659 416 G HN 0.610 nan 8.290 nan 0.000 0.522 417 T N 1.389 115.992 114.554 0.083 0.000 2.780 417 T HA 0.577 4.926 4.350 -0.001 0.000 0.294 417 T C 0.659 175.428 174.700 0.115 0.000 0.949 417 T CA 0.062 62.220 62.100 0.097 0.000 1.074 417 T CB 1.310 70.214 68.868 0.059 0.000 0.910 417 T HN 0.292 nan 8.240 nan 0.000 0.501 418 I N 3.823 124.494 120.570 0.168 0.000 2.336 418 I HA 0.260 4.430 4.170 -0.001 0.000 0.292 418 I C 0.368 176.611 176.117 0.210 0.000 0.991 418 I CA -0.603 60.812 61.300 0.193 0.000 1.227 418 I CB 1.156 39.289 38.000 0.222 0.000 1.366 418 I HN 0.453 nan 8.210 nan 0.000 0.466 419 Q N 5.628 125.527 119.800 0.164 0.000 2.316 419 Q HA 0.574 4.913 4.340 -0.001 0.000 0.264 419 Q C -1.338 174.755 176.000 0.155 0.000 0.987 419 Q CA -0.692 55.187 55.803 0.127 0.000 0.852 419 Q CB 2.624 31.407 28.738 0.075 0.000 1.287 419 Q HN 0.626 nan 8.270 nan 0.000 0.448 420 C N 1.558 120.939 119.300 0.134 0.000 2.802 420 C HA 0.564 5.023 4.460 -0.001 0.000 0.307 420 C C -0.610 174.306 174.990 -0.123 0.000 1.222 420 C CA -0.823 58.235 59.018 0.067 0.000 1.580 420 C CB 1.802 29.642 27.740 0.166 0.000 2.119 420 C HN 0.800 nan 8.230 nan 0.000 0.479 421 Q N 0.625 120.237 119.800 -0.314 0.000 2.305 421 Q HA 0.667 5.007 4.340 -0.001 0.000 0.271 421 Q C -1.823 173.918 176.000 -0.432 0.000 1.046 421 Q CA -0.256 55.332 55.803 -0.359 0.000 0.798 421 Q CB 2.328 30.913 28.738 -0.256 0.000 1.286 421 Q HN 0.639 nan 8.270 nan 0.000 0.435 422 F N 0.646 120.526 119.950 -0.116 0.000 2.518 422 F HA 0.447 4.973 4.527 -0.001 0.000 0.323 422 F C -0.996 174.710 175.800 -0.156 0.000 1.129 422 F CA -0.706 57.239 58.000 -0.091 0.000 0.920 422 F CB 1.138 40.045 39.000 -0.155 0.000 1.160 422 F HN 0.440 nan 8.300 nan 0.000 0.440 423 W N 2.568 123.865 121.300 -0.004 0.000 2.283 423 W HA 0.651 5.311 4.660 -0.001 0.000 0.317 423 W C 0.335 176.946 176.519 0.153 0.000 1.042 423 W CA -0.788 56.621 57.345 0.106 0.000 1.348 423 W CB 1.531 31.127 29.460 0.225 0.000 1.216 423 W HN 0.642 nan 8.180 nan 0.000 0.404 424 G N 2.317 111.308 108.800 0.318 0.000 2.568 424 G HA2 0.687 4.647 3.960 -0.001 0.000 0.313 424 G HA3 0.687 4.647 3.960 -0.001 0.000 0.313 424 G C -1.974 173.143 174.900 0.361 0.000 1.227 424 G CA -0.957 44.316 45.100 0.289 0.000 0.979 424 G HN 0.341 nan 8.290 nan 0.000 0.486 425 L N 0.457 121.823 121.223 0.237 0.000 2.331 425 L HA 0.757 5.097 4.340 -0.001 0.000 0.275 425 L C 0.916 177.885 176.870 0.164 0.000 1.022 425 L CA -0.363 54.611 54.840 0.223 0.000 0.812 425 L CB 1.456 43.574 42.059 0.098 0.000 1.257 425 L HN 0.742 nan 8.230 nan 0.000 0.435 426 G N 3.575 112.474 108.800 0.165 0.000 2.178 426 G HA2 0.363 4.322 3.960 -0.001 0.000 0.244 426 G HA3 0.363 4.322 3.960 -0.001 0.000 0.244 426 G C 0.766 175.721 174.900 0.092 0.000 1.213 426 G CA 0.347 45.524 45.100 0.127 0.000 0.912 426 G HN 1.901 nan 8.290 nan 0.000 0.474 427 A N 2.058 124.925 122.820 0.077 0.000 2.860 427 A HA -0.191 4.129 4.320 -0.001 0.000 0.267 427 A C 1.429 179.041 177.584 0.048 0.000 1.421 427 A CA 1.654 53.722 52.037 0.052 0.000 0.831 427 A CB -1.729 17.297 19.000 0.044 0.000 1.041 427 A HN 1.276 nan 8.150 nan 0.000 0.623 428 D N -1.367 119.070 120.400 0.062 0.000 2.340 428 D HA 0.384 5.023 4.640 -0.001 0.000 0.217 428 D C 1.379 177.711 176.300 0.054 0.000 1.081 428 D CA 0.809 54.844 54.000 0.058 0.000 0.842 428 D CB -0.666 40.180 40.800 0.076 0.000 0.934 428 D HN 1.783 nan 8.370 nan 0.000 0.511 429 G N -0.214 108.611 108.800 0.042 0.000 2.155 429 G HA2 -0.383 3.576 3.960 -0.001 0.000 0.257 429 G HA3 -0.383 3.576 3.960 -0.001 0.000 0.257 429 G C 1.136 176.048 174.900 0.021 0.000 0.983 429 G CA 0.868 45.981 45.100 0.022 0.000 0.676 429 G HN 0.374 nan 8.290 nan 0.000 0.528 430 T N 0.190 114.781 114.554 0.062 0.000 2.674 430 T HA -0.105 4.245 4.350 -0.001 0.000 0.265 430 T C 2.575 177.223 174.700 -0.086 0.000 1.039 430 T CA 1.815 63.965 62.100 0.083 0.000 1.150 430 T CB -0.226 68.757 68.868 0.192 0.000 0.864 430 T HN 0.309 nan 8.240 nan 0.000 0.427 431 V N 1.453 121.279 119.914 -0.147 0.000 2.332 431 V HA -0.127 3.993 4.120 -0.001 0.000 0.248 431 V C 2.883 178.779 176.094 -0.330 0.000 1.055 431 V CA 2.015 64.093 62.300 -0.370 0.000 1.038 431 V CB -1.393 30.136 31.823 -0.489 0.000 0.651 431 V HN 0.617 nan 8.190 nan 0.000 0.450 432 G N -0.533 108.155 108.800 -0.188 0.000 2.422 432 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.218 432 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.218 432 G C 1.692 176.544 174.900 -0.080 0.000 1.146 432 G CA 1.012 46.037 45.100 -0.125 0.000 0.769 432 G HN 0.625 nan 8.290 nan 0.000 0.547 433 A N 0.899 123.676 122.820 -0.071 0.000 2.014 433 A HA 0.018 4.338 4.320 -0.001 0.000 0.218 433 A C 2.243 179.765 177.584 -0.103 0.000 1.163 433 A CA 1.545 53.561 52.037 -0.035 0.000 0.652 433 A CB -0.249 18.746 19.000 -0.007 0.000 0.808 433 A HN 0.325 nan 8.150 nan 0.000 0.449 434 N N 0.323 118.900 118.700 -0.204 0.000 2.171 434 N HA -0.090 4.649 4.740 -0.001 0.000 0.184 434 N C 1.521 177.040 175.510 0.014 0.000 1.021 434 N CA 1.349 54.253 53.050 -0.243 0.000 0.854 434 N CB -0.305 38.077 38.487 -0.174 0.000 0.994 434 N HN 0.531 nan 8.380 nan 0.000 0.426 435 K N 0.479 120.911 120.400 0.054 0.000 2.148 435 K HA -0.016 4.304 4.320 -0.001 0.000 0.204 435 K C 1.910 178.566 176.600 0.093 0.000 1.050 435 K CA 0.708 57.064 56.287 0.115 0.000 0.942 435 K CB 0.099 32.616 32.500 0.029 0.000 0.724 435 K HN 0.124 nan 8.250 nan 0.000 0.446 436 Q N 0.073 119.912 119.800 0.065 0.000 2.123 436 Q HA -0.007 4.332 4.340 -0.001 0.000 0.199 436 Q C 2.087 178.198 176.000 0.185 0.000 0.966 436 Q CA 1.256 57.119 55.803 0.100 0.000 0.845 436 Q CB 0.021 28.810 28.738 0.085 0.000 0.907 436 Q HN 0.297 nan 8.270 nan 0.000 0.439 437 A N 0.549 123.482 122.820 0.188 0.000 1.930 437 A HA -0.125 4.195 4.320 -0.001 0.000 0.217 437 A C 2.096 179.850 177.584 0.283 0.000 1.175 437 A CA 0.901 53.106 52.037 0.280 0.000 0.627 437 A CB -0.543 18.397 19.000 -0.101 0.000 0.815 437 A HN 0.329 nan 8.150 nan 0.000 0.443 438 I N -1.076 119.651 120.570 0.262 0.000 2.252 438 I HA -0.220 3.950 4.170 -0.001 0.000 0.245 438 I C 2.451 178.719 176.117 0.251 0.000 1.102 438 I CA 1.397 62.903 61.300 0.343 0.000 1.385 438 I CB -0.122 38.025 38.000 0.245 0.000 1.064 438 I HN 0.148 nan 8.210 nan 0.000 0.414 439 K N 0.979 121.488 120.400 0.181 0.000 2.025 439 K HA -0.053 4.267 4.320 -0.001 0.000 0.207 439 K C 1.906 178.582 176.600 0.127 0.000 1.049 439 K CA 1.390 57.753 56.287 0.127 0.000 0.933 439 K CB -0.347 32.206 32.500 0.089 0.000 0.714 439 K HN 0.187 nan 8.250 nan 0.000 0.438 440 I N 0.363 121.030 120.570 0.162 0.000 2.127 440 I HA -0.312 3.857 4.170 -0.001 0.000 0.241 440 I C 2.039 178.241 176.117 0.141 0.000 1.075 440 I CA 1.408 62.793 61.300 0.143 0.000 1.334 440 I CB -0.242 37.874 38.000 0.194 0.000 1.040 440 I HN 0.117 nan 8.210 nan 0.000 0.405 441 I N 0.413 121.104 120.570 0.202 0.000 2.286 441 I HA -0.211 3.958 4.170 -0.001 0.000 0.248 441 I C 2.559 178.750 176.117 0.123 0.000 1.115 441 I CA 1.579 62.962 61.300 0.140 0.000 1.392 441 I CB -0.760 37.275 38.000 0.059 0.000 1.065 441 I HN 0.287 nan 8.210 nan 0.000 0.418 442 G N 0.123 109.013 108.800 0.151 0.000 2.421 442 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.217 442 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.217 442 G C 1.109 176.030 174.900 0.035 0.000 1.143 442 G CA 0.565 45.724 45.100 0.098 0.000 0.784 442 G HN 0.288 nan 8.290 nan 0.000 0.541 443 D N 0.277 120.699 120.400 0.037 0.000 2.347 443 D HA 0.017 4.656 4.640 -0.001 0.000 0.213 443 D C 1.387 177.685 176.300 -0.003 0.000 0.985 443 D CA 0.402 54.406 54.000 0.007 0.000 0.879 443 D CB 0.094 40.899 40.800 0.008 0.000 0.919 443 D HN 0.252 nan 8.370 nan 0.000 0.526 444 N N -0.043 118.661 118.700 0.007 0.000 2.197 444 N HA 0.042 4.782 4.740 -0.001 0.000 0.228 444 N C 0.059 175.564 175.510 -0.007 0.000 1.212 444 N CA 0.190 53.236 53.050 -0.006 0.000 0.883 444 N CB 1.688 40.170 38.487 -0.008 0.000 1.107 444 N HN 0.201 nan 8.380 nan 0.000 0.519 445 T N -3.322 111.229 114.554 -0.005 0.000 2.754 445 T HA 0.320 4.670 4.350 -0.001 0.000 0.296 445 T C -0.550 174.129 174.700 -0.036 0.000 1.205 445 T CA -0.521 61.574 62.100 -0.009 0.000 1.009 445 T CB 1.993 70.868 68.868 0.012 0.000 1.368 445 T HN -0.334 nan 8.240 nan 0.000 0.509 446 D N 0.213 120.588 120.400 -0.042 0.000 2.369 446 D HA 0.311 4.951 4.640 -0.001 0.000 0.211 446 D C 0.519 176.727 176.300 -0.154 0.000 1.077 446 D CA -0.020 53.918 54.000 -0.103 0.000 0.842 446 D CB -0.029 40.734 40.800 -0.062 0.000 0.947 446 D HN 0.440 nan 8.370 nan 0.000 0.509 447 L N 0.560 121.761 121.223 -0.037 0.000 2.461 447 L HA 0.149 4.488 4.340 -0.001 0.000 0.272 447 L C 0.264 177.138 176.870 0.006 0.000 1.197 447 L CA -0.203 54.680 54.840 0.072 0.000 0.836 447 L CB 0.293 42.461 42.059 0.182 0.000 1.105 447 L HN -0.195 nan 8.230 nan 0.000 0.477 448 F N 1.179 121.196 119.950 0.112 0.000 2.384 448 F HA 0.563 5.089 4.527 -0.001 0.000 0.338 448 F C 0.574 176.432 175.800 0.097 0.000 1.103 448 F CA -0.291 57.757 58.000 0.080 0.000 1.157 448 F CB 1.279 40.305 39.000 0.043 0.000 1.167 448 F HN 0.434 nan 8.300 nan 0.000 0.529 449 A N 2.913 125.860 122.820 0.211 0.000 2.435 449 A HA 0.699 5.018 4.320 -0.001 0.000 0.304 449 A C -1.258 176.280 177.584 -0.076 0.000 1.064 449 A CA -0.626 51.423 52.037 0.020 0.000 0.727 449 A CB 1.903 21.025 19.000 0.202 0.000 1.284 449 A HN 0.709 nan 8.150 nan 0.000 0.415 450 Q N 1.110 120.744 119.800 -0.277 0.000 2.331 450 Q HA 0.604 4.944 4.340 -0.001 0.000 0.272 450 Q C -0.892 174.960 176.000 -0.248 0.000 1.062 450 Q CA -0.594 55.101 55.803 -0.181 0.000 0.806 450 Q CB 2.305 30.953 28.738 -0.150 0.000 1.312 450 Q HN 1.166 nan 8.270 nan 0.000 0.431 451 G N 2.063 110.769 108.800 -0.158 0.000 2.638 451 G HA2 0.576 4.535 3.960 -0.001 0.000 0.302 451 G HA3 0.576 4.535 3.960 -0.001 0.000 0.302 451 G C -2.422 172.295 174.900 -0.304 0.000 1.365 451 G CA -0.282 44.643 45.100 -0.291 0.000 0.987 451 G HN 0.500 nan 8.290 nan 0.000 0.495 452 Y N 1.057 120.920 120.300 -0.728 0.000 2.513 452 Y HA 0.725 5.275 4.550 -0.001 0.000 0.340 452 Y C -1.902 173.552 175.900 -0.744 0.000 1.055 452 Y CA -1.666 56.135 58.100 -0.499 0.000 1.020 452 Y CB 1.926 40.254 38.460 -0.221 0.000 1.301 452 Y HN 0.488 nan 8.280 nan 0.000 0.453 453 F N 2.773 122.356 119.950 -0.612 0.000 2.529 453 F HA 0.576 5.102 4.527 -0.001 0.000 0.320 453 F C -0.082 175.324 175.800 -0.657 0.000 1.118 453 F CA -0.837 56.857 58.000 -0.510 0.000 0.915 453 F CB 2.346 41.045 39.000 -0.500 0.000 1.161 453 F HN 0.308 nan 8.300 nan 0.000 0.445 454 S N 2.366 117.887 115.700 -0.298 0.000 2.462 454 S HA 0.594 5.063 4.470 -0.001 0.000 0.294 454 S C -0.993 173.400 174.600 -0.345 0.000 1.144 454 S CA -0.501 57.566 58.200 -0.222 0.000 1.088 454 S CB 0.533 63.663 63.200 -0.117 0.000 1.009 454 S HN 0.419 nan 8.310 nan 0.000 0.484 455 Y N 0.643 120.918 120.300 -0.042 0.000 2.699 455 Y HA 0.526 5.075 4.550 -0.001 0.000 0.326 455 Y C 0.513 176.398 175.900 -0.025 0.000 1.141 455 Y CA -1.096 56.991 58.100 -0.022 0.000 1.246 455 Y CB 0.674 39.132 38.460 -0.003 0.000 1.426 455 Y HN 0.420 nan 8.280 nan 0.000 0.559 456 D N -1.163 119.357 120.400 0.199 0.000 2.228 456 D HA 0.248 4.887 4.640 -0.001 0.000 0.247 456 D C 0.235 176.610 176.300 0.126 0.000 0.995 456 D CA -0.147 53.923 54.000 0.117 0.000 0.903 456 D CB 2.156 43.021 40.800 0.109 0.000 1.205 456 D HN 0.471 nan 8.370 nan 0.000 0.459 457 S N 0.917 116.681 115.700 0.106 0.000 2.481 457 S HA -0.024 4.446 4.470 -0.001 0.000 0.231 457 S C 0.574 175.244 174.600 0.118 0.000 0.996 457 S CA 0.434 58.697 58.200 0.105 0.000 0.942 457 S CB 0.100 63.357 63.200 0.094 0.000 0.768 457 S HN 0.281 nan 8.310 nan 0.000 0.520 458 K N 2.171 122.647 120.400 0.127 0.000 2.368 458 K HA 0.175 4.494 4.320 -0.001 0.000 0.282 458 K C 0.578 177.257 176.600 0.131 0.000 1.035 458 K CA 0.100 56.471 56.287 0.140 0.000 0.973 458 K CB 0.642 33.228 32.500 0.144 0.000 0.957 458 K HN 0.200 nan 8.250 nan 0.000 0.474 459 K N 0.288 120.769 120.400 0.135 0.000 2.365 459 K HA -0.012 4.307 4.320 -0.001 0.000 0.197 459 K C 0.728 177.390 176.600 0.103 0.000 1.042 459 K CA 0.344 56.700 56.287 0.115 0.000 0.987 459 K CB 0.413 32.988 32.500 0.125 0.000 0.779 459 K HN 0.416 nan 8.250 nan 0.000 0.484 460 S N -0.725 115.039 115.700 0.107 0.000 2.571 460 S HA 0.469 4.938 4.470 -0.001 0.000 0.284 460 S C 0.219 174.875 174.600 0.093 0.000 1.128 460 S CA -0.028 58.224 58.200 0.086 0.000 0.970 460 S CB 1.502 64.739 63.200 0.062 0.000 1.039 460 S HN 0.442 nan 8.310 nan 0.000 0.485 461 G N 3.066 111.926 108.800 0.100 0.000 2.179 461 G HA2 -0.159 3.800 3.960 -0.001 0.000 0.257 461 G HA3 -0.159 3.800 3.960 -0.001 0.000 0.257 461 G C 0.617 175.622 174.900 0.174 0.000 1.010 461 G CA 0.136 45.311 45.100 0.125 0.000 0.736 461 G HN 1.279 nan 8.290 nan 0.000 0.513 462 G N -0.473 108.425 108.800 0.165 0.000 2.606 462 G HA2 0.630 4.590 3.960 -0.001 0.000 0.252 462 G HA3 0.630 4.590 3.960 -0.001 0.000 0.252 462 G C 0.473 175.498 174.900 0.208 0.000 1.206 462 G CA -0.224 44.980 45.100 0.174 0.000 0.861 462 G HN 1.460 nan 8.290 nan 0.000 0.561 463 I N -1.310 119.353 120.570 0.156 0.000 2.392 463 I HA 0.687 4.857 4.170 -0.001 0.000 0.295 463 I C -0.420 175.708 176.117 0.019 0.000 0.985 463 I CA -0.505 60.878 61.300 0.139 0.000 1.221 463 I CB 2.219 40.138 38.000 -0.136 0.000 1.366 463 I HN 0.257 nan 8.210 nan 0.000 0.467 464 T N 7.017 121.586 114.554 0.026 0.000 2.885 464 T HA 0.663 5.012 4.350 -0.001 0.000 0.285 464 T C -0.336 174.233 174.700 -0.217 0.000 1.019 464 T CA -0.429 61.599 62.100 -0.120 0.000 1.010 464 T CB 1.691 70.499 68.868 -0.100 0.000 1.022 464 T HN 0.485 nan 8.240 nan 0.000 0.466 465 I N 2.037 122.417 120.570 -0.316 0.000 2.468 465 I HA 0.313 4.482 4.170 -0.001 0.000 0.285 465 I C -0.211 175.806 176.117 -0.166 0.000 1.039 465 I CA -0.617 60.425 61.300 -0.431 0.000 1.074 465 I CB 2.003 39.583 38.000 -0.701 0.000 1.228 465 I HN 0.494 nan 8.210 nan 0.000 0.436 466 S N 4.214 119.879 115.700 -0.058 0.000 2.508 466 S HA 0.497 4.966 4.470 -0.001 0.000 0.284 466 S C -0.771 173.780 174.600 -0.080 0.000 1.192 466 S CA -0.546 57.724 58.200 0.117 0.000 1.070 466 S CB 0.621 64.034 63.200 0.354 0.000 1.004 466 S HN 0.423 nan 8.310 nan 0.000 0.493 467 H N 1.727 120.719 119.070 -0.131 0.000 2.638 467 H HA 0.545 5.101 4.556 -0.001 0.000 0.317 467 H C -0.614 174.624 175.328 -0.149 0.000 1.006 467 H CA -0.418 55.579 56.048 -0.086 0.000 1.222 467 H CB 0.528 30.244 29.762 -0.078 0.000 1.419 467 H HN 0.343 nan 8.280 nan 0.000 0.489 468 L N 3.122 124.357 121.223 0.019 0.000 2.354 468 L HA 0.676 5.016 4.340 -0.001 0.000 0.269 468 L C -0.098 176.665 176.870 -0.179 0.000 1.005 468 L CA -0.900 53.870 54.840 -0.118 0.000 0.819 468 L CB 2.324 44.409 42.059 0.043 0.000 1.311 468 L HN 0.473 nan 8.230 nan 0.000 0.423 469 R N 2.007 122.224 120.500 -0.471 0.000 2.621 469 R HA 0.684 5.024 4.340 -0.001 0.000 0.284 469 R C -1.797 174.101 176.300 -0.670 0.000 0.998 469 R CA -0.645 55.248 56.100 -0.345 0.000 0.895 469 R CB 2.628 32.810 30.300 -0.196 0.000 1.195 469 R HN 0.346 nan 8.270 nan 0.000 0.450 470 F N 0.064 120.079 119.950 0.109 0.000 2.556 470 F HA 0.728 5.255 4.527 -0.001 0.000 0.314 470 F C 0.549 176.422 175.800 0.121 0.000 1.106 470 F CA -0.625 57.451 58.000 0.128 0.000 0.911 470 F CB 2.850 41.931 39.000 0.134 0.000 1.190 470 F HN 0.644 nan 8.300 nan 0.000 0.448 471 G N 1.489 110.476 108.800 0.312 0.000 2.646 471 G HA2 0.371 4.330 3.960 -0.001 0.000 0.291 471 G HA3 0.371 4.330 3.960 -0.001 0.000 0.291 471 G C -0.557 174.535 174.900 0.319 0.000 1.445 471 G CA -0.717 44.529 45.100 0.243 0.000 0.814 471 G HN 0.597 nan 8.290 nan 0.000 0.495 472 E N -0.492 119.854 120.200 0.243 0.000 2.371 472 E HA 0.054 4.404 4.350 -0.001 0.000 0.194 472 E C 0.351 177.147 176.600 0.327 0.000 1.012 472 E CA 0.534 57.103 56.400 0.281 0.000 0.860 472 E CB 0.232 30.031 29.700 0.166 0.000 0.811 472 E HN 0.088 nan 8.360 nan 0.000 0.502 473 K N 1.117 121.579 120.400 0.104 0.000 2.208 473 K HA 0.382 4.702 4.320 -0.001 0.000 0.247 473 K C -2.671 173.519 176.600 -0.684 0.000 0.953 473 K CA -2.779 53.388 56.287 -0.199 0.000 0.837 473 K CB 0.897 33.334 32.500 -0.105 0.000 1.131 473 K HN -0.245 nan 8.250 nan 0.000 0.431 474 P HA 0.046 nan 4.420 nan 0.000 0.263 474 P C -0.378 176.663 177.300 -0.431 0.000 1.175 474 P CA 0.379 62.843 63.100 -1.060 0.000 0.761 474 P CB 0.231 31.560 31.700 -0.618 0.000 0.794 475 I N 3.793 124.205 120.570 -0.262 0.000 2.291 475 I HA 0.107 4.276 4.170 -0.001 0.000 0.290 475 I C 1.285 177.352 176.117 -0.084 0.000 1.050 475 I CA 0.231 61.456 61.300 -0.124 0.000 1.245 475 I CB 0.433 38.386 38.000 -0.079 0.000 1.405 475 I HN 0.303 nan 8.210 nan 0.000 0.478 476 Q N 3.158 122.923 119.800 -0.059 0.000 2.220 476 Q HA 0.155 4.495 4.340 -0.001 0.000 0.205 476 Q C 0.146 176.156 176.000 0.016 0.000 0.865 476 Q CA -0.086 55.715 55.803 -0.004 0.000 0.960 476 Q CB 0.450 29.201 28.738 0.022 0.000 1.097 476 Q HN 0.588 nan 8.270 nan 0.000 0.493 477 S N 2.241 117.893 115.700 -0.079 0.000 3.065 477 S HA 0.028 4.497 4.470 -0.001 0.000 0.311 477 S C 0.587 174.995 174.600 -0.320 0.000 1.204 477 S CA -0.105 57.938 58.200 -0.262 0.000 1.040 477 S CB -0.133 62.722 63.200 -0.574 0.000 1.436 477 S HN 0.261 nan 8.310 nan 0.000 0.532 478 T N 1.374 115.915 114.554 -0.022 0.000 3.783 478 T HA 0.471 4.820 4.350 -0.001 0.000 0.262 478 T C -0.322 174.412 174.700 0.056 0.000 1.381 478 T CA -0.645 61.444 62.100 -0.018 0.000 1.155 478 T CB -1.103 67.820 68.868 0.092 0.000 1.256 478 T HN 0.591 nan 8.240 nan 0.000 0.807 479 Y N -1.375 118.835 120.300 -0.151 0.000 2.677 479 Y HA 0.645 5.195 4.550 -0.001 0.000 0.334 479 Y C -1.018 174.742 175.900 -0.234 0.000 1.196 479 Y CA -2.133 55.860 58.100 -0.179 0.000 1.059 479 Y CB 0.669 39.067 38.460 -0.102 0.000 1.315 479 Y HN 0.068 nan 8.280 nan 0.000 0.455 480 L N 1.780 122.912 121.223 -0.152 0.000 2.476 480 L HA 0.347 4.686 4.340 -0.001 0.000 0.264 480 L C -0.032 176.828 176.870 -0.017 0.000 1.224 480 L CA -1.116 53.538 54.840 -0.311 0.000 0.821 480 L CB 0.361 42.167 42.059 -0.421 0.000 1.101 480 L HN 0.524 nan 8.230 nan 0.000 0.488 481 V N 1.456 121.495 119.914 0.209 0.000 2.555 481 V HA 0.010 4.129 4.120 -0.001 0.000 0.286 481 V C 0.525 176.748 176.094 0.215 0.000 1.044 481 V CA 0.117 62.537 62.300 0.201 0.000 1.026 481 V CB 1.040 32.981 31.823 0.196 0.000 0.981 481 V HN 0.990 nan 8.190 nan 0.000 0.480 482 N N 3.180 121.983 118.700 0.172 0.000 2.166 482 N HA 0.137 4.877 4.740 -0.001 0.000 0.213 482 N C 0.340 175.904 175.510 0.091 0.000 1.222 482 N CA -0.262 52.868 53.050 0.133 0.000 0.900 482 N CB 0.528 39.088 38.487 0.121 0.000 1.055 482 N HN 0.553 nan 8.380 nan 0.000 0.515 483 R N 0.686 121.237 120.500 0.086 0.000 2.629 483 R HA 0.559 4.899 4.340 -0.001 0.000 0.275 483 R C -1.165 175.173 176.300 0.063 0.000 1.719 483 R CA -0.447 55.689 56.100 0.059 0.000 1.472 483 R CB 1.455 31.783 30.300 0.047 0.000 1.237 483 R HN 0.186 nan 8.270 nan 0.000 0.589 484 A N 0.949 123.804 122.820 0.057 0.000 2.340 484 A HA 0.209 4.528 4.320 -0.001 0.000 0.268 484 A C 0.421 178.053 177.584 0.081 0.000 1.100 484 A CA -0.475 51.600 52.037 0.064 0.000 0.803 484 A CB 0.498 19.520 19.000 0.037 0.000 1.043 484 A HN 0.571 nan 8.150 nan 0.000 0.488 485 D N -0.588 119.885 120.400 0.122 0.000 2.216 485 D HA 0.010 4.649 4.640 -0.001 0.000 0.208 485 D C -0.540 175.883 176.300 0.204 0.000 0.960 485 D CA 1.591 55.682 54.000 0.151 0.000 0.861 485 D CB 0.221 41.120 40.800 0.164 0.000 0.985 485 D HN 0.590 nan 8.370 nan 0.000 0.493 486 Y N 1.068 121.405 120.300 0.061 0.000 2.361 486 Y HA 0.394 4.943 4.550 -0.001 0.000 0.337 486 Y C -1.290 174.595 175.900 -0.025 0.000 0.965 486 Y CA -0.690 57.441 58.100 0.052 0.000 1.091 486 Y CB 1.585 40.086 38.460 0.067 0.000 1.182 486 Y HN -0.396 nan 8.280 nan 0.000 0.450 487 V N 5.383 125.035 119.914 -0.436 0.000 2.577 487 V HA 0.855 4.974 4.120 -0.001 0.000 0.303 487 V C -0.825 175.088 176.094 -0.302 0.000 1.042 487 V CA -0.578 61.560 62.300 -0.270 0.000 0.872 487 V CB 1.490 33.251 31.823 -0.102 0.000 0.998 487 V HN 0.921 nan 8.190 nan 0.000 0.423 488 A N 3.244 125.967 122.820 -0.163 0.000 2.356 488 A HA 0.702 5.021 4.320 -0.001 0.000 0.310 488 A C -0.673 177.078 177.584 0.278 0.000 1.075 488 A CA -0.450 51.646 52.037 0.099 0.000 0.746 488 A CB 1.485 20.683 19.000 0.331 0.000 1.221 488 A HN 1.017 nan 8.150 nan 0.000 0.443 489 C N 3.240 122.759 119.300 0.365 0.000 2.264 489 C HA 0.552 5.011 4.460 -0.001 0.000 0.322 489 C C 0.820 176.025 174.990 0.358 0.000 1.210 489 C CA -0.365 58.864 59.018 0.352 0.000 1.539 489 C CB -1.387 26.544 27.740 0.317 0.000 2.167 489 C HN 1.004 nan 8.230 nan 0.000 0.463 490 H N 2.727 121.922 119.070 0.207 0.000 2.539 490 H HA 0.123 4.678 4.556 -0.001 0.000 0.267 490 H C 0.286 175.578 175.328 -0.060 0.000 0.982 490 H CA 0.029 56.129 56.048 0.086 0.000 1.146 490 H CB 0.334 30.178 29.762 0.137 0.000 1.382 490 H HN 0.564 nan 8.280 nan 0.000 0.577 491 N N 0.994 119.657 118.700 -0.061 0.000 2.491 491 N HA 0.069 4.808 4.740 -0.001 0.000 0.274 491 N C -2.026 173.310 175.510 -0.289 0.000 1.023 491 N CA -2.453 50.398 53.050 -0.333 0.000 0.902 491 N CB 1.750 39.714 38.487 -0.872 0.000 1.267 491 N HN -0.066 nan 8.380 nan 0.000 0.503 492 P HA -0.096 nan 4.420 nan 0.000 0.222 492 P C 0.857 178.158 177.300 0.001 0.000 1.147 492 P CA 0.690 63.648 63.100 -0.235 0.000 0.790 492 P CB 0.335 31.704 31.700 -0.552 0.000 0.780 493 A N -0.573 122.230 122.820 -0.029 0.000 1.972 493 A HA -0.178 4.142 4.320 -0.001 0.000 0.219 493 A C 2.256 179.992 177.584 0.252 0.000 1.169 493 A CA 0.991 53.095 52.037 0.112 0.000 0.635 493 A CB -1.781 17.271 19.000 0.087 0.000 0.810 493 A HN 0.214 nan 8.150 nan 0.000 0.446 494 Y N -0.734 119.650 120.300 0.140 0.000 2.224 494 Y HA -0.209 4.341 4.550 -0.001 0.000 0.289 494 Y C 2.544 178.457 175.900 0.022 0.000 1.146 494 Y CA 0.400 58.588 58.100 0.146 0.000 1.182 494 Y CB -0.397 38.206 38.460 0.238 0.000 0.983 494 Y HN 0.122 nan 8.280 nan 0.000 0.524 495 V N 0.301 120.350 119.914 0.225 0.000 2.257 495 V HA -0.419 3.701 4.120 -0.001 0.000 0.257 495 V C 2.398 178.527 176.094 0.058 0.000 1.077 495 V CA 2.318 64.713 62.300 0.157 0.000 1.063 495 V CB -1.267 30.744 31.823 0.314 0.000 0.664 495 V HN 0.650 nan 8.190 nan 0.000 0.450 496 G N -1.053 107.786 108.800 0.064 0.000 2.494 496 G HA2 -0.073 3.886 3.960 -0.001 0.000 0.216 496 G HA3 -0.073 3.886 3.960 -0.001 0.000 0.216 496 G C 1.405 176.254 174.900 -0.085 0.000 1.140 496 G CA 0.817 45.909 45.100 -0.015 0.000 0.801 496 G HN 0.686 nan 8.290 nan 0.000 0.536 497 I N -3.590 116.888 120.570 -0.153 0.000 2.731 497 I HA 0.371 4.540 4.170 -0.001 0.000 0.260 497 I C 0.366 176.228 176.117 -0.424 0.000 1.138 497 I CA -0.225 60.869 61.300 -0.343 0.000 1.461 497 I CB 0.150 37.828 38.000 -0.536 0.000 1.128 497 I HN -0.043 nan 8.210 nan 0.000 0.438 498 Y N 1.706 121.950 120.300 -0.094 0.000 2.420 498 Y HA 0.357 4.907 4.550 -0.001 0.000 0.334 498 Y C -0.103 175.633 175.900 -0.274 0.000 1.094 498 Y CA -1.056 56.940 58.100 -0.174 0.000 1.126 498 Y CB 0.885 39.184 38.460 -0.269 0.000 1.217 498 Y HN -0.065 nan 8.280 nan 0.000 0.462 499 D N 3.563 123.960 120.400 -0.004 0.000 2.597 499 D HA -0.002 4.638 4.640 -0.001 0.000 0.228 499 D C 1.090 177.263 176.300 -0.213 0.000 1.120 499 D CA 0.158 54.104 54.000 -0.090 0.000 1.083 499 D CB -0.265 40.534 40.800 -0.001 0.000 1.116 499 D HN 0.619 nan 8.370 nan 0.000 0.487 500 I N -1.325 118.959 120.570 -0.477 0.000 2.394 500 I HA -0.142 4.028 4.170 -0.001 0.000 0.251 500 I C 1.265 177.120 176.117 -0.437 0.000 1.136 500 I CA 0.793 61.644 61.300 -0.749 0.000 1.425 500 I CB -0.140 37.291 38.000 -0.948 0.000 1.079 500 I HN 0.143 nan 8.210 nan 0.000 0.425 501 L N 1.488 122.465 121.223 -0.410 0.000 2.611 501 L HA 0.217 4.557 4.340 -0.001 0.000 0.229 501 L C 0.965 177.726 176.870 -0.181 0.000 1.137 501 L CA -0.153 54.460 54.840 -0.378 0.000 0.901 501 L CB -0.480 41.282 42.059 -0.496 0.000 1.098 501 L HN 0.332 nan 8.230 nan 0.000 0.456 502 E N 1.232 121.372 120.200 -0.100 0.000 2.608 502 E HA -0.048 4.302 4.350 -0.001 0.000 0.259 502 E C 1.337 177.933 176.600 -0.006 0.000 0.951 502 E CA 0.804 57.185 56.400 -0.030 0.000 0.945 502 E CB 0.335 30.052 29.700 0.028 0.000 0.916 502 E HN 0.359 nan 8.360 nan 0.000 0.477 503 G N 4.262 113.057 108.800 -0.008 0.000 2.205 503 G HA2 -0.350 3.610 3.960 -0.001 0.000 0.269 503 G HA3 -0.350 3.610 3.960 -0.001 0.000 0.269 503 G C 0.458 175.361 174.900 0.005 0.000 0.977 503 G CA 0.394 45.498 45.100 0.008 0.000 0.652 503 G HN 0.721 nan 8.290 nan 0.000 0.539 504 I N 0.911 121.468 120.570 -0.021 0.000 2.775 504 I HA 0.181 4.350 4.170 -0.001 0.000 0.290 504 I C 1.078 177.199 176.117 0.007 0.000 1.203 504 I CA -0.131 61.159 61.300 -0.016 0.000 1.433 504 I CB 0.267 38.225 38.000 -0.070 0.000 1.354 504 I HN 0.147 nan 8.210 nan 0.000 0.579 505 K N 5.318 125.737 120.400 0.033 0.000 2.286 505 K HA 0.035 4.355 4.320 -0.001 0.000 0.256 505 K C -0.517 176.113 176.600 0.051 0.000 0.999 505 K CA -0.412 55.901 56.287 0.043 0.000 0.908 505 K CB 0.205 32.741 32.500 0.060 0.000 0.981 505 K HN 0.524 nan 8.250 nan 0.000 0.500 506 D N 0.033 120.465 120.400 0.052 0.000 2.389 506 D HA 0.139 4.778 4.640 -0.001 0.000 0.247 506 D C 1.102 177.453 176.300 0.085 0.000 1.128 506 D CA 1.004 55.042 54.000 0.064 0.000 0.884 506 D CB 0.960 41.794 40.800 0.055 0.000 1.194 506 D HN 0.719 nan 8.370 nan 0.000 0.441 507 G N 1.499 110.364 108.800 0.109 0.000 2.184 507 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.264 507 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.264 507 G C 0.797 175.789 174.900 0.154 0.000 0.975 507 G CA 0.190 45.369 45.100 0.132 0.000 0.642 507 G HN 0.811 nan 8.290 nan 0.000 0.536 508 G N -0.728 108.156 108.800 0.141 0.000 2.636 508 G HA2 0.496 4.456 3.960 -0.001 0.000 0.246 508 G HA3 0.496 4.456 3.960 -0.001 0.000 0.246 508 G C 0.141 175.170 174.900 0.215 0.000 1.216 508 G CA 0.722 45.916 45.100 0.156 0.000 0.854 508 G HN 0.551 nan 8.290 nan 0.000 0.572 509 T N 0.977 115.669 114.554 0.230 0.000 2.767 509 T HA 0.364 4.713 4.350 -0.001 0.000 0.288 509 T C -1.077 173.748 174.700 0.208 0.000 0.963 509 T CA 0.042 62.314 62.100 0.286 0.000 1.019 509 T CB 0.860 69.911 68.868 0.304 0.000 0.923 509 T HN 0.326 nan 8.240 nan 0.000 0.468 510 F N 5.251 125.297 119.950 0.159 0.000 2.434 510 F HA 0.585 5.112 4.527 -0.001 0.000 0.355 510 F C -1.014 174.927 175.800 0.236 0.000 1.115 510 F CA -1.743 56.317 58.000 0.099 0.000 1.010 510 F CB 0.471 39.562 39.000 0.151 0.000 1.234 510 F HN 0.232 nan 8.300 nan 0.000 0.439 511 V N 7.234 127.136 119.914 -0.021 0.000 2.472 511 V HA 0.515 4.634 4.120 -0.001 0.000 0.290 511 V C -0.721 175.234 176.094 -0.232 0.000 1.037 511 V CA -0.711 61.525 62.300 -0.107 0.000 0.908 511 V CB 1.477 33.309 31.823 0.015 0.000 0.985 511 V HN 0.661 nan 8.190 nan 0.000 0.454 512 L N 4.556 125.603 121.223 -0.294 0.000 2.408 512 L HA 0.524 4.863 4.340 -0.001 0.000 0.268 512 L C -0.334 176.429 176.870 -0.179 0.000 0.986 512 L CA -0.205 54.487 54.840 -0.246 0.000 0.820 512 L CB 1.958 43.812 42.059 -0.341 0.000 1.303 512 L HN 0.745 nan 8.230 nan 0.000 0.411 513 N N 3.207 121.830 118.700 -0.128 0.000 2.426 513 N HA 0.614 5.353 4.740 -0.001 0.000 0.257 513 N C -1.148 174.153 175.510 -0.348 0.000 1.002 513 N CA 0.204 53.147 53.050 -0.178 0.000 0.942 513 N CB 0.701 39.123 38.487 -0.107 0.000 1.112 513 N HN 0.813 nan 8.380 nan 0.000 0.499 514 S N 3.051 118.490 115.700 -0.436 0.000 2.611 514 S HA 0.365 4.835 4.470 -0.001 0.000 0.270 514 S C -2.892 171.369 174.600 -0.566 0.000 1.131 514 S CA -0.800 56.941 58.200 -0.766 0.000 0.826 514 S CB 2.073 64.431 63.200 -1.404 0.000 1.095 514 S HN 0.455 nan 8.310 nan 0.000 0.461 515 P HA 0.307 nan 4.420 nan 0.000 0.266 515 P C -0.468 176.832 177.300 0.001 0.000 1.381 515 P CA 0.010 62.977 63.100 -0.222 0.000 0.940 515 P CB -0.200 31.428 31.700 -0.121 0.000 1.435 516 W N 1.180 122.443 121.300 -0.061 0.000 1.496 516 W HA 0.280 4.940 4.660 -0.001 0.000 0.422 516 W C 0.946 177.499 176.519 0.057 0.000 0.638 516 W CA -0.765 56.581 57.345 0.002 0.000 2.105 516 W CB -1.347 28.111 29.460 -0.003 0.000 1.639 516 W HN -0.012 nan 8.180 nan 0.000 0.304 517 S N 0.826 116.666 115.700 0.233 0.000 2.368 517 S HA -0.139 4.331 4.470 -0.001 0.000 0.225 517 S C 1.327 176.115 174.600 0.312 0.000 1.030 517 S CA 1.270 59.600 58.200 0.216 0.000 0.999 517 S CB -0.209 63.070 63.200 0.132 0.000 0.844 517 S HN 0.410 nan 8.310 nan 0.000 0.459 518 S N 1.919 117.785 115.700 0.275 0.000 2.565 518 S HA 0.276 4.745 4.470 -0.001 0.000 0.276 518 S C 0.895 175.704 174.600 0.349 0.000 1.326 518 S CA -0.725 57.626 58.200 0.252 0.000 1.045 518 S CB 0.967 64.272 63.200 0.177 0.000 0.918 518 S HN 0.163 nan 8.310 nan 0.000 0.505 519 L N 2.717 124.126 121.223 0.310 0.000 2.081 519 L HA -0.142 4.197 4.340 -0.001 0.000 0.212 519 L C 2.478 179.546 176.870 0.331 0.000 1.080 519 L CA 2.538 57.609 54.840 0.384 0.000 0.754 519 L CB -1.075 41.089 42.059 0.175 0.000 0.893 519 L HN 1.005 nan 8.230 nan 0.000 0.433 520 E N -2.086 118.243 120.200 0.215 0.000 2.072 520 E HA -0.208 4.141 4.350 -0.001 0.000 0.190 520 E C 1.657 178.343 176.600 0.142 0.000 0.982 520 E CA 1.218 57.711 56.400 0.156 0.000 0.803 520 E CB -0.570 29.190 29.700 0.101 0.000 0.755 520 E HN 0.463 nan 8.360 nan 0.000 0.453 521 D N 0.433 120.944 120.400 0.186 0.000 2.097 521 D HA -0.150 4.489 4.640 -0.001 0.000 0.195 521 D C 1.922 178.333 176.300 0.184 0.000 0.989 521 D CA 1.362 55.478 54.000 0.194 0.000 0.827 521 D CB -0.147 40.826 40.800 0.288 0.000 0.966 521 D HN 0.199 nan 8.370 nan 0.000 0.456 522 M N 1.273 121.055 119.600 0.303 0.000 2.065 522 M HA -0.157 4.323 4.480 -0.001 0.000 0.259 522 M C 1.311 177.700 176.300 0.148 0.000 1.071 522 M CA 1.572 57.055 55.300 0.305 0.000 1.109 522 M CB -0.539 32.345 32.600 0.474 0.000 1.313 522 M HN -0.220 nan 8.290 nan 0.000 0.408 523 D N -0.075 120.474 120.400 0.249 0.000 2.228 523 D HA -0.214 4.425 4.640 -0.001 0.000 0.203 523 D C 1.917 178.172 176.300 -0.074 0.000 0.988 523 D CA 1.226 55.306 54.000 0.134 0.000 0.864 523 D CB -0.316 40.621 40.800 0.229 0.000 0.928 523 D HN 0.506 nan 8.370 nan 0.000 0.469 524 K N -0.680 119.633 120.400 -0.145 0.000 2.167 524 K HA -0.104 4.216 4.320 -0.001 0.000 0.203 524 K C 1.336 177.567 176.600 -0.614 0.000 1.052 524 K CA 0.968 57.043 56.287 -0.354 0.000 0.956 524 K CB 0.165 32.423 32.500 -0.405 0.000 0.735 524 K HN 0.230 nan 8.250 nan 0.000 0.451 525 H N -0.839 117.895 119.070 -0.559 0.000 2.481 525 H HA 0.140 4.696 4.556 -0.001 0.000 0.291 525 H C -0.441 174.556 175.328 -0.552 0.000 1.009 525 H CA -0.394 55.171 56.048 -0.805 0.000 1.282 525 H CB 0.309 28.880 29.762 -1.986 0.000 1.457 525 H HN -0.038 nan 8.280 nan 0.000 0.525 526 L N 3.976 125.017 121.223 -0.302 0.000 2.562 526 L HA 0.101 4.440 4.340 -0.001 0.000 0.271 526 L C -2.165 174.549 176.870 -0.260 0.000 1.167 526 L CA -1.854 52.868 54.840 -0.196 0.000 0.917 526 L CB 0.092 42.007 42.059 -0.239 0.000 1.187 526 L HN 0.023 nan 8.230 nan 0.000 0.482 527 P HA 0.053 nan 4.420 nan 0.000 0.268 527 P C 0.628 177.772 177.300 -0.260 0.000 1.208 527 P CA 0.071 63.053 63.100 -0.196 0.000 0.777 527 P CB 0.550 32.164 31.700 -0.143 0.000 0.875 528 S N 1.411 116.977 115.700 -0.224 0.000 2.365 528 S HA -0.188 4.282 4.470 -0.001 0.000 0.225 528 S C 2.227 176.692 174.600 -0.226 0.000 1.039 528 S CA 1.578 59.638 58.200 -0.233 0.000 1.033 528 S CB -1.958 61.149 63.200 -0.155 0.000 0.887 528 S HN 0.569 nan 8.310 nan 0.000 0.447 529 G N 2.452 111.146 108.800 -0.177 0.000 2.505 529 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.220 529 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.220 529 G C 1.389 176.171 174.900 -0.197 0.000 1.145 529 G CA 1.221 46.226 45.100 -0.158 0.000 0.761 529 G HN 0.492 nan 8.290 nan 0.000 0.571 530 I N 0.907 121.330 120.570 -0.244 0.000 2.202 530 I HA -0.074 4.095 4.170 -0.001 0.000 0.242 530 I C 2.634 178.535 176.117 -0.361 0.000 1.091 530 I CA 1.163 62.288 61.300 -0.292 0.000 1.368 530 I CB -1.038 36.797 38.000 -0.274 0.000 1.058 530 I HN 0.234 nan 8.210 nan 0.000 0.410 531 K N 0.514 120.612 120.400 -0.503 0.000 2.032 531 K HA -0.183 4.137 4.320 -0.001 0.000 0.209 531 K C 2.269 178.736 176.600 -0.221 0.000 1.048 531 K CA 1.435 57.315 56.287 -0.677 0.000 0.927 531 K CB -0.221 31.599 32.500 -1.134 0.000 0.712 531 K HN 0.248 nan 8.250 nan 0.000 0.441 532 R N 0.222 120.619 120.500 -0.172 0.000 2.081 532 R HA -0.096 4.243 4.340 -0.001 0.000 0.235 532 R C 2.412 178.687 176.300 -0.041 0.000 1.131 532 R CA 1.793 57.863 56.100 -0.051 0.000 0.960 532 R CB -0.388 29.875 30.300 -0.061 0.000 0.856 532 R HN 0.244 nan 8.270 nan 0.000 0.436 533 T N 1.219 115.712 114.554 -0.103 0.000 2.737 533 T HA -0.086 4.263 4.350 -0.001 0.000 0.265 533 T C 1.899 176.554 174.700 -0.074 0.000 1.038 533 T CA 1.207 63.249 62.100 -0.096 0.000 1.144 533 T CB -0.157 68.616 68.868 -0.158 0.000 0.866 533 T HN 0.144 nan 8.240 nan 0.000 0.434 534 I N 1.436 121.929 120.570 -0.128 0.000 2.208 534 I HA -0.220 3.950 4.170 -0.001 0.000 0.245 534 I C 2.918 179.025 176.117 -0.017 0.000 1.097 534 I CA 1.170 62.396 61.300 -0.123 0.000 1.363 534 I CB -0.574 37.243 38.000 -0.305 0.000 1.051 534 I HN 0.210 nan 8.210 nan 0.000 0.413 535 A N 1.322 124.176 122.820 0.057 0.000 1.835 535 A HA -0.252 4.067 4.320 -0.001 0.000 0.215 535 A C 1.994 179.694 177.584 0.194 0.000 1.199 535 A CA 2.389 54.575 52.037 0.249 0.000 0.615 535 A CB -1.111 18.062 19.000 0.289 0.000 0.838 535 A HN 0.434 nan 8.150 nan 0.000 0.444 536 N N -0.438 118.331 118.700 0.115 0.000 2.519 536 N HA -0.074 4.666 4.740 -0.001 0.000 0.186 536 N C 1.144 176.701 175.510 0.079 0.000 1.062 536 N CA 1.114 54.215 53.050 0.086 0.000 0.910 536 N CB -0.034 38.483 38.487 0.050 0.000 0.958 536 N HN 0.522 nan 8.380 nan 0.000 0.445 537 K N 0.022 120.473 120.400 0.085 0.000 2.374 537 K HA 0.156 4.476 4.320 -0.001 0.000 0.202 537 K C -0.306 176.369 176.600 0.124 0.000 1.040 537 K CA -0.083 56.253 56.287 0.081 0.000 1.085 537 K CB 0.746 33.276 32.500 0.050 0.000 0.873 537 K HN -0.161 nan 8.250 nan 0.000 0.539 538 K N 1.419 121.925 120.400 0.177 0.000 3.148 538 K HA -0.167 4.153 4.320 -0.001 0.000 0.267 538 K C -0.572 176.178 176.600 0.250 0.000 0.996 538 K CA 0.394 56.818 56.287 0.228 0.000 0.737 538 K CB -1.792 30.797 32.500 0.149 0.000 1.308 538 K HN 0.223 nan 8.250 nan 0.000 0.470 539 L N 0.483 121.871 121.223 0.277 0.000 2.439 539 L HA 0.097 4.436 4.340 -0.001 0.000 0.269 539 L C 0.936 178.045 176.870 0.399 0.000 1.179 539 L CA -0.100 54.911 54.840 0.286 0.000 0.828 539 L CB 0.520 42.721 42.059 0.236 0.000 1.106 539 L HN 0.133 nan 8.230 nan 0.000 0.467 540 K N 3.153 123.785 120.400 0.387 0.000 2.142 540 K HA 0.174 4.494 4.320 -0.001 0.000 0.250 540 K C -0.628 176.298 176.600 0.543 0.000 1.148 540 K CA -0.276 56.258 56.287 0.412 0.000 1.040 540 K CB -0.008 32.781 32.500 0.481 0.000 1.569 540 K HN 0.211 nan 8.250 nan 0.000 0.361 541 F N 2.932 123.063 119.950 0.301 0.000 2.438 541 F HA 0.204 4.730 4.527 -0.001 0.000 0.356 541 F C -0.751 175.110 175.800 0.103 0.000 1.099 541 F CA -0.788 57.370 58.000 0.264 0.000 1.185 541 F CB 0.207 39.379 39.000 0.286 0.000 1.115 541 F HN 0.258 nan 8.300 nan 0.000 0.526 542 Y N 4.002 124.120 120.300 -0.304 0.000 2.462 542 Y HA 0.355 4.905 4.550 -0.001 0.000 0.346 542 Y C -0.278 175.205 175.900 -0.694 0.000 0.976 542 Y CA -1.183 56.694 58.100 -0.371 0.000 1.044 542 Y CB 1.796 40.196 38.460 -0.101 0.000 1.230 542 Y HN 0.609 nan 8.280 nan 0.000 0.455 543 N N 2.300 120.765 118.700 -0.391 0.000 2.238 543 N HA 0.690 5.429 4.740 -0.001 0.000 0.302 543 N C -1.951 173.474 175.510 -0.143 0.000 1.072 543 N CA -0.562 52.257 53.050 -0.385 0.000 0.792 543 N CB 1.540 39.749 38.487 -0.463 0.000 1.425 543 N HN 0.713 nan 8.380 nan 0.000 0.478 544 I N 1.751 122.240 120.570 -0.135 0.000 2.571 544 I HA 0.219 4.388 4.170 -0.001 0.000 0.286 544 I C -1.227 174.826 176.117 -0.107 0.000 1.134 544 I CA -0.610 60.645 61.300 -0.074 0.000 1.052 544 I CB 1.431 39.415 38.000 -0.027 0.000 1.237 544 I HN 0.564 nan 8.210 nan 0.000 0.435 545 D N 6.910 127.257 120.400 -0.088 0.000 2.597 545 D HA 0.168 4.807 4.640 -0.001 0.000 0.228 545 D C 1.181 177.432 176.300 -0.081 0.000 1.120 545 D CA 0.510 54.449 54.000 -0.103 0.000 1.083 545 D CB 1.065 41.825 40.800 -0.068 0.000 1.116 545 D HN 0.700 nan 8.370 nan 0.000 0.487 546 A N 2.504 125.267 122.820 -0.095 0.000 1.948 546 A HA -0.185 4.135 4.320 -0.001 0.000 0.220 546 A C 2.300 179.843 177.584 -0.067 0.000 1.177 546 A CA 1.243 53.233 52.037 -0.077 0.000 0.636 546 A CB -0.309 18.631 19.000 -0.098 0.000 0.815 546 A HN 0.448 nan 8.150 nan 0.000 0.449 547 V N -0.175 119.692 119.914 -0.078 0.000 2.515 547 V HA -0.220 3.900 4.120 -0.001 0.000 0.250 547 V C 2.452 178.520 176.094 -0.045 0.000 1.058 547 V CA 2.265 64.528 62.300 -0.061 0.000 1.064 547 V CB -0.593 31.189 31.823 -0.068 0.000 0.675 547 V HN 0.654 nan 8.190 nan 0.000 0.461 548 K N 0.030 120.403 120.400 -0.044 0.000 2.116 548 K HA -0.010 4.309 4.320 -0.001 0.000 0.203 548 K C 2.082 178.668 176.600 -0.024 0.000 1.052 548 K CA 1.078 57.349 56.287 -0.028 0.000 0.952 548 K CB -0.071 32.415 32.500 -0.022 0.000 0.729 548 K HN 0.411 nan 8.250 nan 0.000 0.446 549 I N 0.951 121.505 120.570 -0.027 0.000 2.202 549 I HA -0.224 3.946 4.170 -0.001 0.000 0.242 549 I C 2.495 178.596 176.117 -0.026 0.000 1.091 549 I CA 1.130 62.417 61.300 -0.022 0.000 1.368 549 I CB -0.467 37.522 38.000 -0.019 0.000 1.058 549 I HN 0.179 nan 8.210 nan 0.000 0.410 550 A N 0.801 123.602 122.820 -0.032 0.000 1.908 550 A HA -0.203 4.116 4.320 -0.001 0.000 0.218 550 A C 2.397 179.963 177.584 -0.030 0.000 1.181 550 A CA 2.534 54.551 52.037 -0.034 0.000 0.627 550 A CB -1.105 17.874 19.000 -0.035 0.000 0.818 550 A HN 0.411 nan 8.150 nan 0.000 0.445 551 T N 0.387 114.925 114.554 -0.026 0.000 2.643 551 T HA -0.135 4.214 4.350 -0.001 0.000 0.264 551 T C 1.550 176.238 174.700 -0.020 0.000 1.045 551 T CA 1.512 63.600 62.100 -0.021 0.000 1.155 551 T CB -0.511 68.346 68.868 -0.018 0.000 0.863 551 T HN 0.488 nan 8.240 nan 0.000 0.420 552 D N 1.359 121.748 120.400 -0.019 0.000 2.106 552 D HA -0.109 4.531 4.640 -0.001 0.000 0.191 552 D C 2.301 178.588 176.300 -0.021 0.000 0.997 552 D CA 1.450 55.441 54.000 -0.016 0.000 0.834 552 D CB -0.832 39.960 40.800 -0.013 0.000 0.956 552 D HN 0.445 nan 8.370 nan 0.000 0.448 553 V N -2.668 117.230 119.914 -0.026 0.000 3.241 553 V HA 0.244 4.363 4.120 -0.001 0.000 0.269 553 V C 1.591 177.661 176.094 -0.040 0.000 1.151 553 V CA 1.238 63.518 62.300 -0.034 0.000 1.158 553 V CB -0.440 31.358 31.823 -0.041 0.000 0.764 553 V HN 0.328 nan 8.190 nan 0.000 0.508 554 G N 0.305 109.085 108.800 -0.034 0.000 2.176 554 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.232 554 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.232 554 G C 0.417 175.294 174.900 -0.038 0.000 0.986 554 G CA 0.244 45.323 45.100 -0.035 0.000 0.643 554 G HN 0.526 nan 8.290 nan 0.000 0.522 555 L N 1.222 122.419 121.223 -0.043 0.000 2.610 555 L HA 0.363 4.702 4.340 -0.001 0.000 0.232 555 L C 1.893 178.746 176.870 -0.028 0.000 1.149 555 L CA 0.529 55.344 54.840 -0.043 0.000 0.872 555 L CB -0.372 41.655 42.059 -0.052 0.000 0.992 555 L HN 0.877 nan 8.230 nan 0.000 0.447 556 G N 0.652 109.438 108.800 -0.024 0.000 2.325 556 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.274 556 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.274 556 G C 1.092 175.982 174.900 -0.017 0.000 0.921 556 G CA 0.345 45.435 45.100 -0.017 0.000 1.340 556 G HN 0.641 nan 8.290 nan 0.000 0.447 557 G N 0.464 109.251 108.800 -0.021 0.000 2.249 557 G HA2 -0.398 3.561 3.960 -0.001 0.000 0.269 557 G HA3 -0.398 3.561 3.960 -0.001 0.000 0.269 557 G C 0.811 175.696 174.900 -0.024 0.000 0.979 557 G CA 1.444 46.530 45.100 -0.024 0.000 0.644 557 G HN 1.479 nan 8.290 nan 0.000 0.546 558 R N 1.156 121.644 120.500 -0.019 0.000 2.345 558 R HA 0.406 4.745 4.340 -0.001 0.000 0.331 558 R C 2.052 178.338 176.300 -0.023 0.000 1.067 558 R CA 0.316 56.409 56.100 -0.013 0.000 0.962 558 R CB -0.181 30.117 30.300 -0.003 0.000 0.987 558 R HN 0.596 nan 8.270 nan 0.000 0.451 559 I N 1.631 122.183 120.570 -0.031 0.000 3.419 559 I HA -0.042 4.127 4.170 -0.001 0.000 0.286 559 I C 0.979 177.061 176.117 -0.058 0.000 1.268 559 I CA 0.492 61.760 61.300 -0.054 0.000 1.414 559 I CB -0.281 37.668 38.000 -0.085 0.000 1.074 559 I HN 0.630 nan 8.210 nan 0.000 0.457 560 N N 1.881 120.567 118.700 -0.023 0.000 2.060 560 N HA -0.316 4.424 4.740 -0.001 0.000 0.195 560 N C 1.803 177.322 175.510 0.016 0.000 1.028 560 N CA 1.964 55.011 53.050 -0.004 0.000 0.861 560 N CB -0.536 37.971 38.487 0.034 0.000 1.029 560 N HN 0.260 nan 8.380 nan 0.000 0.428 561 M N -0.044 119.571 119.600 0.024 0.000 2.159 561 M HA 0.068 4.547 4.480 -0.001 0.000 0.263 561 M C 1.483 177.806 176.300 0.038 0.000 1.063 561 M CA 1.213 56.536 55.300 0.038 0.000 1.110 561 M CB -0.314 32.285 32.600 -0.003 0.000 1.374 561 M HN 0.243 nan 8.290 nan 0.000 0.411 562 I N -0.575 119.997 120.570 0.004 0.000 2.202 562 I HA -0.279 3.891 4.170 -0.001 0.000 0.242 562 I C 2.056 178.188 176.117 0.026 0.000 1.091 562 I CA 1.229 62.534 61.300 0.008 0.000 1.368 562 I CB -0.642 37.344 38.000 -0.023 0.000 1.058 562 I HN 0.254 nan 8.210 nan 0.000 0.410 563 M N -0.580 118.998 119.600 -0.037 0.000 2.229 563 M HA -0.155 4.325 4.480 -0.001 0.000 0.264 563 M C 2.302 178.696 176.300 0.156 0.000 1.063 563 M CA 1.379 56.654 55.300 -0.042 0.000 1.114 563 M CB -1.341 30.954 32.600 -0.509 0.000 1.387 563 M HN 0.260 nan 8.290 nan 0.000 0.420 564 Q N 0.492 120.381 119.800 0.148 0.000 2.050 564 Q HA -0.111 4.228 4.340 -0.001 0.000 0.202 564 Q C 1.855 178.092 176.000 0.395 0.000 0.980 564 Q CA 2.535 58.500 55.803 0.270 0.000 0.840 564 Q CB -0.513 28.374 28.738 0.248 0.000 0.898 564 Q HN 0.460 nan 8.270 nan 0.000 0.424 565 T N 0.474 115.193 114.554 0.275 0.000 2.720 565 T HA -0.169 4.180 4.350 -0.001 0.000 0.268 565 T C 1.718 176.556 174.700 0.230 0.000 1.037 565 T CA 1.480 63.730 62.100 0.249 0.000 1.144 565 T CB -0.713 68.237 68.868 0.136 0.000 0.864 565 T HN 0.503 nan 8.240 nan 0.000 0.444 566 A N 1.161 124.103 122.820 0.204 0.000 1.917 566 A HA -0.115 4.204 4.320 -0.001 0.000 0.219 566 A C 2.016 179.713 177.584 0.189 0.000 1.182 566 A CA 1.792 53.942 52.037 0.189 0.000 0.633 566 A CB -0.996 18.141 19.000 0.229 0.000 0.819 566 A HN 0.527 nan 8.150 nan 0.000 0.448 567 F N -0.463 119.534 119.950 0.079 0.000 2.075 567 F HA -0.108 4.419 4.527 -0.001 0.000 0.297 567 F C 1.831 177.450 175.800 -0.301 0.000 1.113 567 F CA 1.565 59.429 58.000 -0.227 0.000 1.218 567 F CB -0.586 38.328 39.000 -0.144 0.000 0.984 567 F HN 0.176 nan 8.300 nan 0.000 0.472 568 F N 0.912 120.696 119.950 -0.277 0.000 2.333 568 F HA -0.111 4.415 4.527 -0.001 0.000 0.300 568 F C 2.473 178.109 175.800 -0.272 0.000 1.083 568 F CA 1.663 59.435 58.000 -0.379 0.000 1.395 568 F CB -0.599 38.325 39.000 -0.127 0.000 1.056 568 F HN 0.035 nan 8.300 nan 0.000 0.529 569 K N -0.566 119.841 120.400 0.012 0.000 2.168 569 K HA -0.002 4.318 4.320 -0.001 0.000 0.201 569 K C 1.556 178.148 176.600 -0.014 0.000 1.049 569 K CA 0.667 57.012 56.287 0.096 0.000 0.974 569 K CB 0.103 32.711 32.500 0.180 0.000 0.792 569 K HN 0.110 nan 8.250 nan 0.000 0.463 570 L N 0.417 121.574 121.223 -0.109 0.000 2.463 570 L HA 0.249 4.588 4.340 -0.001 0.000 0.219 570 L C 2.112 178.923 176.870 -0.100 0.000 1.088 570 L CA 0.887 55.670 54.840 -0.095 0.000 0.849 570 L CB -0.476 41.508 42.059 -0.125 0.000 1.012 570 L HN 0.107 nan 8.230 nan 0.000 0.468 571 A N -0.016 122.544 122.820 -0.434 0.000 1.978 571 A HA 0.130 4.449 4.320 -0.001 0.000 0.220 571 A C 1.837 179.293 177.584 -0.214 0.000 1.170 571 A CA 1.310 53.057 52.037 -0.483 0.000 0.636 571 A CB -0.849 17.545 19.000 -1.009 0.000 0.810 571 A HN 0.561 nan 8.150 nan 0.000 0.448 572 G N -1.626 107.036 108.800 -0.230 0.000 2.160 572 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.244 572 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.244 572 G C 0.923 175.756 174.900 -0.111 0.000 1.022 572 G CA 0.892 45.928 45.100 -0.106 0.000 0.741 572 G HN 1.750 nan 8.290 nan 0.000 0.508 573 V N -2.440 117.335 119.914 -0.232 0.000 3.354 573 V HA 0.686 4.805 4.120 -0.001 0.000 0.258 573 V C 0.892 176.902 176.094 -0.140 0.000 1.159 573 V CA 0.987 63.180 62.300 -0.179 0.000 1.125 573 V CB 0.059 31.672 31.823 -0.350 0.000 0.774 573 V HN 0.442 nan 8.190 nan 0.000 0.464 574 L N 1.177 122.313 121.223 -0.145 0.000 2.424 574 L HA 0.580 4.919 4.340 -0.001 0.000 0.258 574 L C -2.583 174.269 176.870 -0.030 0.000 0.995 574 L CA -1.855 52.943 54.840 -0.071 0.000 0.821 574 L CB 2.712 44.737 42.059 -0.056 0.000 1.383 574 L HN 0.025 nan 8.230 nan 0.000 0.410 575 P HA 0.045 nan 4.420 nan 0.000 0.271 575 P C 0.625 177.960 177.300 0.059 0.000 1.216 575 P CA -0.220 62.906 63.100 0.043 0.000 0.776 575 P CB 0.897 32.618 31.700 0.034 0.000 0.881 576 F N 2.726 122.663 119.950 -0.022 0.000 2.045 576 F HA -0.303 4.223 4.527 -0.001 0.000 0.297 576 F C 2.125 177.913 175.800 -0.021 0.000 1.114 576 F CA 1.952 59.941 58.000 -0.018 0.000 1.207 576 F CB -0.148 38.846 39.000 -0.009 0.000 0.964 576 F HN 0.267 nan 8.300 nan 0.000 0.486 577 E N 0.672 120.829 120.200 -0.072 0.000 2.033 577 E HA -0.304 4.045 4.350 -0.001 0.000 0.199 577 E C 2.206 178.671 176.600 -0.224 0.000 1.011 577 E CA 1.770 58.065 56.400 -0.175 0.000 0.815 577 E CB -0.716 28.982 29.700 -0.003 0.000 0.755 577 E HN 0.486 nan 8.360 nan 0.000 0.451 578 K N 0.380 120.699 120.400 -0.134 0.000 2.057 578 K HA -0.130 4.190 4.320 -0.001 0.000 0.207 578 K C 2.059 178.553 176.600 -0.177 0.000 1.049 578 K CA 1.228 57.440 56.287 -0.124 0.000 0.931 578 K CB -0.084 32.375 32.500 -0.070 0.000 0.714 578 K HN 0.084 nan 8.250 nan 0.000 0.440 579 A N 0.770 123.476 122.820 -0.190 0.000 1.834 579 A HA -0.160 4.160 4.320 -0.001 0.000 0.216 579 A C 2.217 179.586 177.584 -0.358 0.000 1.203 579 A CA 2.009 53.924 52.037 -0.202 0.000 0.621 579 A CB -1.054 17.895 19.000 -0.085 0.000 0.841 579 A HN 0.155 nan 8.150 nan 0.000 0.446 580 V N 0.989 120.635 119.914 -0.447 0.000 2.453 580 V HA -0.278 3.841 4.120 -0.001 0.000 0.252 580 V C 2.350 178.253 176.094 -0.318 0.000 1.068 580 V CA 2.532 64.578 62.300 -0.422 0.000 1.070 580 V CB -0.987 30.475 31.823 -0.601 0.000 0.664 580 V HN 0.737 nan 8.190 nan 0.000 0.461 581 D N 0.039 120.263 120.400 -0.294 0.000 2.075 581 D HA -0.143 4.496 4.640 -0.001 0.000 0.196 581 D C 1.956 178.136 176.300 -0.199 0.000 0.985 581 D CA 1.345 55.221 54.000 -0.207 0.000 0.834 581 D CB -0.212 40.486 40.800 -0.172 0.000 0.987 581 D HN 0.209 nan 8.370 nan 0.000 0.452 582 L N 0.362 121.451 121.223 -0.223 0.000 2.013 582 L HA -0.130 4.209 4.340 -0.001 0.000 0.212 582 L C 2.519 179.216 176.870 -0.289 0.000 1.073 582 L CA 1.128 55.836 54.840 -0.220 0.000 0.753 582 L CB -1.180 40.753 42.059 -0.210 0.000 0.890 582 L HN 0.226 nan 8.230 nan 0.000 0.432 583 L N -0.610 120.334 121.223 -0.465 0.000 2.012 583 L HA -0.234 4.105 4.340 -0.001 0.000 0.210 583 L C 2.449 179.192 176.870 -0.211 0.000 1.073 583 L CA 1.853 56.397 54.840 -0.493 0.000 0.748 583 L CB -0.659 41.029 42.059 -0.619 0.000 0.891 583 L HN 0.223 nan 8.230 nan 0.000 0.431 584 K N -0.503 119.803 120.400 -0.156 0.000 2.002 584 K HA -0.181 4.139 4.320 -0.001 0.000 0.209 584 K C 2.096 178.735 176.600 0.065 0.000 1.048 584 K CA 1.686 57.957 56.287 -0.026 0.000 0.930 584 K CB -0.224 32.259 32.500 -0.028 0.000 0.714 584 K HN 0.320 nan 8.250 nan 0.000 0.438 585 K N 0.844 121.228 120.400 -0.027 0.000 2.059 585 K HA -0.192 4.128 4.320 -0.001 0.000 0.212 585 K C 2.398 179.027 176.600 0.047 0.000 1.050 585 K CA 2.115 58.389 56.287 -0.021 0.000 0.927 585 K CB -0.277 32.180 32.500 -0.072 0.000 0.714 585 K HN 0.223 nan 8.250 nan 0.000 0.447 586 S N 1.075 116.778 115.700 0.006 0.000 2.402 586 S HA -0.107 4.362 4.470 -0.001 0.000 0.229 586 S C 2.015 176.666 174.600 0.084 0.000 1.021 586 S CA 0.905 59.120 58.200 0.024 0.000 0.974 586 S CB -0.548 62.641 63.200 -0.017 0.000 0.800 586 S HN 0.220 nan 8.310 nan 0.000 0.484 587 I N 1.289 121.920 120.570 0.103 0.000 2.361 587 I HA -0.186 3.983 4.170 -0.001 0.000 0.251 587 I C 2.554 178.742 176.117 0.118 0.000 1.133 587 I CA 1.644 63.032 61.300 0.146 0.000 1.413 587 I CB -0.499 37.509 38.000 0.013 0.000 1.073 587 I HN 0.342 nan 8.210 nan 0.000 0.424 588 H N 0.402 119.501 119.070 0.049 0.000 2.363 588 H HA -0.108 4.447 4.556 -0.001 0.000 0.301 588 H C 2.204 177.555 175.328 0.040 0.000 1.074 588 H CA 1.297 57.367 56.048 0.038 0.000 1.354 588 H CB -0.031 29.731 29.762 0.000 0.000 1.397 588 H HN 0.175 nan 8.280 nan 0.000 0.516 589 K N 0.969 121.454 120.400 0.142 0.000 1.971 589 K HA -0.111 4.209 4.320 -0.001 0.000 0.221 589 K C 1.290 177.911 176.600 0.035 0.000 1.050 589 K CA 1.102 57.427 56.287 0.064 0.000 0.967 589 K CB -0.325 32.194 32.500 0.033 0.000 0.733 589 K HN 0.236 nan 8.250 nan 0.000 0.445 590 A N -0.296 122.530 122.820 0.011 0.000 2.275 590 A HA 0.182 4.502 4.320 -0.001 0.000 0.276 590 A C 0.088 177.656 177.584 -0.026 0.000 1.232 590 A CA 0.410 52.387 52.037 -0.100 0.000 0.814 590 A CB -0.512 18.351 19.000 -0.229 0.000 1.145 590 A HN 0.544 nan 8.150 nan 0.000 0.508 591 Y N -1.841 118.437 120.300 -0.037 0.000 2.831 591 Y HA -0.335 4.214 4.550 -0.001 0.000 0.469 591 Y C 2.146 178.017 175.900 -0.048 0.000 1.152 591 Y CA 1.981 60.051 58.100 -0.051 0.000 2.680 591 Y CB -1.769 36.645 38.460 -0.077 0.000 1.183 591 Y HN 2.093 nan 8.280 nan 0.000 0.623 592 G N 0.535 109.421 108.800 0.143 0.000 2.216 592 G HA2 -0.431 3.528 3.960 -0.001 0.000 0.269 592 G HA3 -0.431 3.528 3.960 -0.001 0.000 0.269 592 G C 0.747 175.671 174.900 0.041 0.000 0.981 592 G CA 1.821 46.954 45.100 0.055 0.000 0.658 592 G HN 0.895 nan 8.290 nan 0.000 0.539 593 K N 0.042 120.474 120.400 0.054 0.000 3.073 593 K HA 0.283 4.603 4.320 -0.001 0.000 0.232 593 K C 1.127 177.739 176.600 0.021 0.000 1.135 593 K CA -0.002 56.303 56.287 0.029 0.000 1.428 593 K CB -0.025 32.492 32.500 0.029 0.000 1.921 593 K HN 0.057 nan 8.250 nan 0.000 0.546 594 K N 1.785 122.196 120.400 0.018 0.000 2.272 594 K HA -0.083 4.236 4.320 -0.001 0.000 0.259 594 K C 0.103 176.703 176.600 0.001 0.000 1.280 594 K CA 0.857 57.149 56.287 0.008 0.000 1.275 594 K CB -1.555 30.949 32.500 0.007 0.000 0.800 594 K HN 0.733 nan 8.250 nan 0.000 0.484 595 G N 3.313 112.112 108.800 -0.002 0.000 2.914 595 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.254 595 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.254 595 G C 0.227 175.117 174.900 -0.017 0.000 1.449 595 G CA -0.135 44.960 45.100 -0.008 0.000 0.925 595 G HN 0.728 nan 8.290 nan 0.000 0.555 596 E N -0.066 120.121 120.200 -0.020 0.000 2.481 596 E HA -0.026 4.323 4.350 -0.001 0.000 0.195 596 E C 2.252 178.817 176.600 -0.058 0.000 1.047 596 E CA 0.683 57.062 56.400 -0.036 0.000 0.867 596 E CB 0.107 29.799 29.700 -0.013 0.000 0.858 596 E HN 0.624 nan 8.360 nan 0.000 0.513 597 K N 0.967 121.338 120.400 -0.048 0.000 2.057 597 K HA -0.041 4.278 4.320 -0.001 0.000 0.206 597 K C 1.985 178.534 176.600 -0.085 0.000 1.050 597 K CA 0.745 56.999 56.287 -0.056 0.000 0.935 597 K CB 0.036 32.513 32.500 -0.039 0.000 0.715 597 K HN 0.059 nan 8.250 nan 0.000 0.439 598 I N 0.796 121.313 120.570 -0.087 0.000 2.676 598 I HA -0.191 3.979 4.170 -0.001 0.000 0.259 598 I C 1.895 177.867 176.117 -0.241 0.000 1.194 598 I CA 0.457 61.678 61.300 -0.133 0.000 1.473 598 I CB 0.152 38.110 38.000 -0.070 0.000 1.096 598 I HN 0.004 nan 8.210 nan 0.000 0.443 599 V N 0.725 120.513 119.914 -0.210 0.000 2.488 599 V HA -0.195 3.924 4.120 -0.001 0.000 0.246 599 V C 2.465 178.401 176.094 -0.264 0.000 1.046 599 V CA 1.424 63.544 62.300 -0.300 0.000 1.053 599 V CB -0.430 31.198 31.823 -0.323 0.000 0.679 599 V HN 0.303 nan 8.190 nan 0.000 0.458 600 K N 0.830 121.128 120.400 -0.171 0.000 2.026 600 K HA -0.112 4.208 4.320 -0.001 0.000 0.208 600 K C 2.036 178.565 176.600 -0.119 0.000 1.048 600 K CA 1.919 58.137 56.287 -0.116 0.000 0.929 600 K CB -0.510 31.946 32.500 -0.073 0.000 0.713 600 K HN 0.385 nan 8.250 nan 0.000 0.439 601 M N 0.224 119.745 119.600 -0.132 0.000 2.108 601 M HA -0.189 4.290 4.480 -0.001 0.000 0.261 601 M C 1.758 177.969 176.300 -0.148 0.000 1.066 601 M CA 2.131 57.357 55.300 -0.123 0.000 1.107 601 M CB -0.640 31.885 32.600 -0.124 0.000 1.356 601 M HN 0.166 nan 8.290 nan 0.000 0.406 602 N N -0.194 118.369 118.700 -0.229 0.000 2.106 602 N HA -0.101 4.639 4.740 -0.001 0.000 0.188 602 N C 1.652 177.069 175.510 -0.154 0.000 1.029 602 N CA 1.838 54.741 53.050 -0.244 0.000 0.848 602 N CB -0.377 37.846 38.487 -0.442 0.000 1.007 602 N HN 0.251 nan 8.380 nan 0.000 0.423 603 T N 0.716 115.182 114.554 -0.147 0.000 2.708 603 T HA -0.111 4.238 4.350 -0.001 0.000 0.266 603 T C 1.009 175.678 174.700 -0.052 0.000 1.037 603 T CA 1.270 63.322 62.100 -0.080 0.000 1.146 603 T CB -0.386 68.450 68.868 -0.054 0.000 0.865 603 T HN 0.195 nan 8.240 nan 0.000 0.435 604 D N 1.353 121.719 120.400 -0.057 0.000 2.104 604 D HA -0.039 4.601 4.640 -0.001 0.000 0.194 604 D C 2.363 178.644 176.300 -0.030 0.000 0.994 604 D CA 1.312 55.290 54.000 -0.036 0.000 0.830 604 D CB -0.589 40.187 40.800 -0.040 0.000 0.959 604 D HN 0.385 nan 8.370 nan 0.000 0.452 605 A N 0.535 123.328 122.820 -0.046 0.000 1.940 605 A HA -0.174 4.145 4.320 -0.001 0.000 0.219 605 A C 2.520 180.097 177.584 -0.013 0.000 1.176 605 A CA 1.439 53.456 52.037 -0.034 0.000 0.631 605 A CB -0.721 18.248 19.000 -0.052 0.000 0.814 605 A HN 0.170 nan 8.150 nan 0.000 0.446 606 V N 0.430 120.334 119.914 -0.016 0.000 2.307 606 V HA -0.228 3.892 4.120 -0.001 0.000 0.245 606 V C 2.168 178.278 176.094 0.027 0.000 1.045 606 V CA 2.230 64.533 62.300 0.005 0.000 1.024 606 V CB -0.750 31.063 31.823 -0.017 0.000 0.651 606 V HN 0.502 nan 8.190 nan 0.000 0.449 607 D N -0.514 119.897 120.400 0.019 0.000 2.117 607 D HA -0.177 4.462 4.640 -0.001 0.000 0.198 607 D C 2.212 178.538 176.300 0.043 0.000 0.982 607 D CA 1.352 55.375 54.000 0.039 0.000 0.828 607 D CB -0.150 40.665 40.800 0.025 0.000 0.967 607 D HN 0.421 nan 8.370 nan 0.000 0.464 608 Q N 0.953 120.767 119.800 0.024 0.000 2.124 608 Q HA -0.051 4.288 4.340 -0.001 0.000 0.202 608 Q C 1.865 177.884 176.000 0.033 0.000 0.977 608 Q CA 1.775 57.591 55.803 0.022 0.000 0.850 608 Q CB -0.339 28.403 28.738 0.006 0.000 0.901 608 Q HN 0.183 nan 8.270 nan 0.000 0.429 609 A N -0.685 122.158 122.820 0.038 0.000 1.873 609 A HA -0.104 4.215 4.320 -0.001 0.000 0.215 609 A C 2.276 179.907 177.584 0.079 0.000 1.186 609 A CA 1.525 53.593 52.037 0.051 0.000 0.616 609 A CB -0.918 18.114 19.000 0.053 0.000 0.823 609 A HN 0.257 nan 8.150 nan 0.000 0.442 610 V N 0.067 120.042 119.914 0.103 0.000 2.332 610 V HA -0.260 3.859 4.120 -0.001 0.000 0.248 610 V C 2.759 178.917 176.094 0.106 0.000 1.055 610 V CA 2.559 64.951 62.300 0.152 0.000 1.038 610 V CB -1.227 30.737 31.823 0.235 0.000 0.651 610 V HN 0.644 nan 8.190 nan 0.000 0.450 611 T N -0.498 114.103 114.554 0.078 0.000 2.668 611 T HA -0.152 4.198 4.350 -0.001 0.000 0.262 611 T C 1.959 176.687 174.700 0.047 0.000 1.045 611 T CA 1.822 63.952 62.100 0.050 0.000 1.152 611 T CB -0.329 68.561 68.868 0.038 0.000 0.864 611 T HN 0.471 nan 8.240 nan 0.000 0.419 612 S N 1.023 116.751 115.700 0.047 0.000 2.547 612 S HA 0.071 4.540 4.470 -0.001 0.000 0.235 612 S C 0.648 175.291 174.600 0.072 0.000 0.980 612 S CA 0.114 58.342 58.200 0.046 0.000 0.941 612 S CB -0.299 62.920 63.200 0.033 0.000 0.763 612 S HN 0.118 nan 8.310 nan 0.000 0.532 613 L N 3.252 124.532 121.223 0.096 0.000 2.391 613 L HA 0.277 4.617 4.340 -0.001 0.000 0.249 613 L C -0.126 176.890 176.870 0.243 0.000 1.308 613 L CA 0.365 55.300 54.840 0.158 0.000 1.209 613 L CB -0.617 41.514 42.059 0.119 0.000 1.401 613 L HN 0.086 nan 8.230 nan 0.000 0.416 614 Q N 0.931 120.850 119.800 0.197 0.000 2.306 614 Q HA 0.246 4.585 4.340 -0.001 0.000 0.265 614 Q C -0.350 175.622 176.000 -0.048 0.000 1.022 614 Q CA -0.583 55.289 55.803 0.114 0.000 0.853 614 Q CB 1.771 30.521 28.738 0.020 0.000 1.327 614 Q HN 0.364 nan 8.270 nan 0.000 0.449 615 E N 1.968 121.987 120.200 -0.302 0.000 2.406 615 E HA -0.025 4.324 4.350 -0.001 0.000 0.258 615 E C -0.930 175.486 176.600 -0.308 0.000 1.043 615 E CA -0.111 55.881 56.400 -0.680 0.000 0.929 615 E CB 0.177 29.579 29.700 -0.497 0.000 0.969 615 E HN 0.360 nan 8.360 nan 0.000 0.462 616 F N 5.461 125.164 119.950 -0.411 0.000 2.541 616 F HA 0.123 4.649 4.527 -0.001 0.000 0.378 616 F C 0.078 175.833 175.800 -0.074 0.000 1.068 616 F CA -0.076 57.789 58.000 -0.224 0.000 1.199 616 F CB 0.477 39.257 39.000 -0.366 0.000 1.091 616 F HN 0.225 nan 8.300 nan 0.000 0.555 617 K N 6.634 126.679 120.400 -0.593 0.000 2.172 617 K HA 0.247 4.566 4.320 -0.001 0.000 0.276 617 K C -1.265 174.957 176.600 -0.630 0.000 1.013 617 K CA -0.376 55.602 56.287 -0.514 0.000 0.913 617 K CB 1.139 33.370 32.500 -0.449 0.000 1.055 617 K HN 0.711 nan 8.250 nan 0.000 0.461 618 Y N 0.355 120.393 120.300 -0.437 0.000 2.545 618 Y HA 0.600 5.150 4.550 -0.001 0.000 0.348 618 Y C -2.441 173.118 175.900 -0.569 0.000 1.002 618 Y CA -2.803 54.884 58.100 -0.687 0.000 1.039 618 Y CB 0.335 38.176 38.460 -1.031 0.000 1.271 618 Y HN 0.404 nan 8.280 nan 0.000 0.467 619 P HA 0.041 nan 4.420 nan 0.000 0.271 619 P C -0.293 176.946 177.300 -0.102 0.000 1.216 619 P CA 0.064 62.998 63.100 -0.276 0.000 0.776 619 P CB 1.574 33.155 31.700 -0.198 0.000 0.881 620 D N 1.271 121.651 120.400 -0.033 0.000 2.350 620 D HA -0.136 4.503 4.640 -0.001 0.000 0.216 620 D C 1.581 177.959 176.300 0.130 0.000 0.968 620 D CA 1.213 55.251 54.000 0.063 0.000 0.894 620 D CB -0.024 40.789 40.800 0.022 0.000 0.909 620 D HN 0.320 nan 8.370 nan 0.000 0.520 621 S N -1.171 114.604 115.700 0.125 0.000 2.515 621 S HA -0.113 4.357 4.470 -0.001 0.000 0.231 621 S C 1.538 176.334 174.600 0.325 0.000 0.987 621 S CA -0.095 58.213 58.200 0.180 0.000 0.936 621 S CB -0.577 62.715 63.200 0.153 0.000 0.766 621 S HN 0.329 nan 8.310 nan 0.000 0.528 622 W N 2.553 123.917 121.300 0.106 0.000 2.519 622 W HA 0.268 4.928 4.660 -0.001 0.000 0.266 622 W C 1.953 178.499 176.519 0.045 0.000 1.253 622 W CA -0.483 56.909 57.345 0.078 0.000 1.274 622 W CB -0.423 29.099 29.460 0.104 0.000 1.114 622 W HN 0.236 nan 8.180 nan 0.000 0.596 623 K N 0.480 121.047 120.400 0.278 0.000 2.228 623 K HA -0.193 4.126 4.320 -0.001 0.000 0.205 623 K C -0.114 176.545 176.600 0.099 0.000 1.045 623 K CA 1.852 58.236 56.287 0.162 0.000 0.931 623 K CB -0.573 32.004 32.500 0.129 0.000 0.727 623 K HN 0.388 nan 8.250 nan 0.000 0.458 624 D N -1.968 118.491 120.400 0.099 0.000 3.078 624 D HA 0.236 4.876 4.640 -0.001 0.000 0.363 624 D C -0.592 175.729 176.300 0.035 0.000 1.391 624 D CA -0.377 53.653 54.000 0.050 0.000 0.754 624 D CB 0.087 40.913 40.800 0.043 0.000 1.238 624 D HN 0.028 nan 8.370 nan 0.000 0.500 625 A N 1.976 124.805 122.820 0.015 0.000 2.520 625 A HA 0.398 4.718 4.320 -0.001 0.000 0.235 625 A C -1.719 175.841 177.584 -0.041 0.000 1.065 625 A CA -0.834 51.188 52.037 -0.026 0.000 0.764 625 A CB -0.139 18.776 19.000 -0.140 0.000 1.002 625 A HN 0.313 nan 8.150 nan 0.000 0.502 626 P HA 0.152 nan 4.420 nan 0.000 0.260 626 P C -0.127 177.140 177.300 -0.056 0.000 1.207 626 P CA 0.493 63.571 63.100 -0.037 0.000 0.780 626 P CB 0.142 31.824 31.700 -0.030 0.000 0.789 627 A N 4.752 127.541 122.820 -0.050 0.000 2.513 627 A HA 0.027 4.346 4.320 -0.001 0.000 0.274 627 A C 1.063 178.613 177.584 -0.056 0.000 1.115 627 A CA -0.273 51.729 52.037 -0.058 0.000 0.792 627 A CB -0.669 18.303 19.000 -0.047 0.000 1.053 627 A HN 0.662 nan 8.150 nan 0.000 0.515 628 E N 2.686 122.845 120.200 -0.069 0.000 2.485 628 E HA 0.056 4.405 4.350 -0.001 0.000 0.266 628 E C 0.894 177.463 176.600 -0.052 0.000 1.137 628 E CA 0.324 56.686 56.400 -0.064 0.000 1.010 628 E CB 0.052 29.706 29.700 -0.077 0.000 0.986 628 E HN 0.691 nan 8.360 nan 0.000 0.460 629 T N -0.226 114.300 114.554 -0.047 0.000 4.971 629 T HA 0.035 4.384 4.350 -0.001 0.000 0.217 629 T C 0.162 174.840 174.700 -0.038 0.000 0.770 629 T CA 0.596 62.672 62.100 -0.039 0.000 2.187 629 T CB -0.177 68.671 68.868 -0.035 0.000 1.552 629 T HN 0.735 nan 8.240 nan 0.000 0.277 630 K N 0.057 120.436 120.400 -0.034 0.000 2.370 630 K HA 0.521 4.841 4.320 -0.001 0.000 0.315 630 K C -0.739 175.846 176.600 -0.026 0.000 1.589 630 K CA -0.305 55.964 56.287 -0.031 0.000 0.963 630 K CB -0.034 32.449 32.500 -0.028 0.000 1.424 630 K HN 0.531 nan 8.250 nan 0.000 0.467 631 A N 2.446 125.250 122.820 -0.027 0.000 3.033 631 A HA 0.159 4.478 4.320 -0.001 0.000 0.250 631 A C -0.191 177.384 177.584 -0.015 0.000 1.633 631 A CA -0.195 51.829 52.037 -0.021 0.000 1.290 631 A CB -0.639 18.346 19.000 -0.024 0.000 1.048 631 A HN 0.610 nan 8.150 nan 0.000 0.648 632 E N 0.569 120.761 120.200 -0.014 0.000 2.180 632 E HA 0.516 4.865 4.350 -0.001 0.000 0.283 632 E C -2.301 174.294 176.600 -0.008 0.000 1.061 632 E CA -1.808 54.588 56.400 -0.007 0.000 0.861 632 E CB -0.438 29.259 29.700 -0.005 0.000 1.056 632 E HN 0.295 nan 8.360 nan 0.000 0.407 633 P HA 0.061 nan 4.420 nan 0.000 0.273 633 P C -0.703 176.581 177.300 -0.027 0.000 1.258 633 P CA -0.524 62.571 63.100 -0.009 0.000 0.802 633 P CB 0.336 32.035 31.700 -0.000 0.000 1.040 634 M N 0.256 119.838 119.600 -0.029 0.000 2.277 634 M HA 0.388 4.868 4.480 -0.001 0.000 0.350 634 M C -0.397 175.816 176.300 -0.144 0.000 1.180 634 M CA 0.907 56.172 55.300 -0.060 0.000 1.103 634 M CB 0.571 33.154 32.600 -0.028 0.000 1.577 634 M HN 0.403 nan 8.290 nan 0.000 0.459 635 T N 2.319 116.713 114.554 -0.267 0.000 2.584 635 T HA 0.528 4.877 4.350 -0.001 0.000 0.273 635 T C -0.967 173.473 174.700 -0.432 0.000 0.978 635 T CA -0.944 60.742 62.100 -0.691 0.000 1.159 635 T CB 0.761 69.138 68.868 -0.818 0.000 1.556 635 T HN 0.794 nan 8.240 nan 0.000 0.472 636 N N 0.538 118.978 118.700 -0.434 0.000 2.457 636 N HA 0.388 5.127 4.740 -0.001 0.000 0.290 636 N C 0.302 175.802 175.510 -0.017 0.000 1.232 636 N CA -0.499 52.477 53.050 -0.124 0.000 0.852 636 N CB 2.137 40.617 38.487 -0.012 0.000 1.313 636 N HN 0.342 nan 8.380 nan 0.000 0.522 637 E N 0.320 120.536 120.200 0.026 0.000 2.097 637 E HA -0.156 4.194 4.350 -0.001 0.000 0.196 637 E C 1.299 177.930 176.600 0.051 0.000 1.000 637 E CA 1.397 57.815 56.400 0.030 0.000 0.804 637 E CB -0.375 29.348 29.700 0.037 0.000 0.740 637 E HN 0.623 nan 8.360 nan 0.000 0.454 638 F N -0.758 119.186 119.950 -0.010 0.000 2.146 638 F HA -0.113 4.414 4.527 -0.001 0.000 0.298 638 F C 1.999 177.803 175.800 0.006 0.000 1.096 638 F CA 1.188 59.179 58.000 -0.015 0.000 1.275 638 F CB -0.375 38.633 39.000 0.013 0.000 1.008 638 F HN 0.110 nan 8.300 nan 0.000 0.480 639 F N 0.891 120.821 119.950 -0.034 0.000 2.259 639 F HA -0.092 4.434 4.527 -0.001 0.000 0.298 639 F C 2.452 178.156 175.800 -0.160 0.000 1.088 639 F CA 1.677 59.623 58.000 -0.090 0.000 1.358 639 F CB -0.426 38.505 39.000 -0.115 0.000 1.040 639 F HN -0.114 nan 8.300 nan 0.000 0.505 640 K N 0.021 120.415 120.400 -0.011 0.000 2.031 640 K HA -0.137 4.183 4.320 -0.001 0.000 0.205 640 K C 1.462 177.962 176.600 -0.166 0.000 1.049 640 K CA 1.636 57.890 56.287 -0.055 0.000 0.939 640 K CB -0.144 32.339 32.500 -0.028 0.000 0.717 640 K HN 0.240 nan 8.250 nan 0.000 0.438 641 N N -0.129 118.441 118.700 -0.217 0.000 2.392 641 N HA -0.032 4.708 4.740 -0.001 0.000 0.177 641 N C 1.423 176.712 175.510 -0.369 0.000 1.066 641 N CA 0.623 53.524 53.050 -0.248 0.000 0.895 641 N CB 0.789 39.156 38.487 -0.200 0.000 0.988 641 N HN 0.052 nan 8.380 nan 0.000 0.457 642 V N -0.333 119.238 119.914 -0.572 0.000 3.134 642 V HA 0.063 4.182 4.120 -0.001 0.000 0.222 642 V C 2.063 177.867 176.094 -0.483 0.000 1.247 642 V CA 0.319 62.234 62.300 -0.640 0.000 1.281 642 V CB -0.389 30.743 31.823 -1.152 0.000 1.169 642 V HN 0.012 nan 8.190 nan 0.000 0.512 643 V N 0.823 120.376 119.914 -0.601 0.000 2.358 643 V HA -0.209 3.910 4.120 -0.001 0.000 0.246 643 V C 2.456 178.231 176.094 -0.532 0.000 1.047 643 V CA 2.957 64.997 62.300 -0.433 0.000 1.035 643 V CB -0.321 31.311 31.823 -0.319 0.000 0.658 643 V HN 0.574 nan 8.190 nan 0.000 0.452 644 K N 1.215 121.137 120.400 -0.797 0.000 2.009 644 K HA -0.057 4.263 4.320 -0.001 0.000 0.210 644 K C 0.012 176.488 176.600 -0.207 0.000 1.049 644 K CA 2.435 58.419 56.287 -0.505 0.000 0.929 644 K CB -1.678 30.612 32.500 -0.349 0.000 0.714 644 K HN 0.444 nan 8.250 nan 0.000 0.440 645 P HA -0.122 nan 4.420 nan 0.000 0.216 645 P C 1.044 178.323 177.300 -0.035 0.000 1.150 645 P CA 1.404 64.450 63.100 -0.090 0.000 0.837 645 P CB 0.018 31.652 31.700 -0.110 0.000 0.786 646 I N -1.640 118.901 120.570 -0.048 0.000 2.286 646 I HA -0.172 3.997 4.170 -0.001 0.000 0.245 646 I C 2.102 178.243 176.117 0.039 0.000 1.104 646 I CA 1.131 62.443 61.300 0.019 0.000 1.397 646 I CB -0.562 37.472 38.000 0.057 0.000 1.072 646 I HN -0.113 nan 8.210 nan 0.000 0.417 647 L N 0.382 121.620 121.223 0.026 0.000 2.275 647 L HA -0.122 4.217 4.340 -0.001 0.000 0.215 647 L C 2.146 179.139 176.870 0.206 0.000 1.119 647 L CA 1.446 56.347 54.840 0.102 0.000 0.790 647 L CB -0.801 41.314 42.059 0.094 0.000 0.919 647 L HN 0.417 nan 8.230 nan 0.000 0.443 648 T N -4.125 110.529 114.554 0.168 0.000 3.206 648 T HA 0.157 4.506 4.350 -0.001 0.000 0.253 648 T C 0.639 175.479 174.700 0.234 0.000 1.042 648 T CA -0.325 61.945 62.100 0.284 0.000 0.931 648 T CB 0.208 69.161 68.868 0.142 0.000 1.029 648 T HN 0.385 nan 8.240 nan 0.000 0.564 649 Q N -0.153 119.723 119.800 0.127 0.000 2.503 649 Q HA -0.162 4.178 4.340 -0.001 0.000 0.267 649 Q C 0.283 176.318 176.000 0.060 0.000 1.030 649 Q CA 0.665 56.506 55.803 0.063 0.000 1.041 649 Q CB -1.491 27.278 28.738 0.052 0.000 1.406 649 Q HN 0.434 nan 8.270 nan 0.000 0.524 650 Q N -1.550 118.282 119.800 0.054 0.000 2.194 650 Q HA 0.196 4.535 4.340 -0.001 0.000 0.214 650 Q C 1.760 177.782 176.000 0.036 0.000 0.838 650 Q CA 0.866 56.693 55.803 0.039 0.000 0.972 650 Q CB 0.582 29.336 28.738 0.027 0.000 1.131 650 Q HN 0.477 nan 8.270 nan 0.000 0.498 651 G N 1.516 110.344 108.800 0.046 0.000 2.475 651 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.220 651 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.220 651 G C 1.085 176.040 174.900 0.093 0.000 1.125 651 G CA 0.801 45.952 45.100 0.085 0.000 0.755 651 G HN 0.280 nan 8.290 nan 0.000 0.565 652 D N 0.277 120.707 120.400 0.051 0.000 2.265 652 D HA -0.048 4.592 4.640 -0.001 0.000 0.208 652 D C 2.251 178.584 176.300 0.055 0.000 0.977 652 D CA 0.759 54.785 54.000 0.043 0.000 0.871 652 D CB 0.025 40.836 40.800 0.019 0.000 0.925 652 D HN 0.373 nan 8.370 nan 0.000 0.485 653 K N -0.068 120.362 120.400 0.051 0.000 2.400 653 K HA 0.115 4.434 4.320 -0.001 0.000 0.194 653 K C 0.726 177.354 176.600 0.047 0.000 1.033 653 K CA -0.111 56.200 56.287 0.039 0.000 1.021 653 K CB 0.571 33.083 32.500 0.020 0.000 0.808 653 K HN 0.098 nan 8.250 nan 0.000 0.505 654 L N 4.430 125.700 121.223 0.079 0.000 2.477 654 L HA 0.073 4.412 4.340 -0.001 0.000 0.272 654 L C -1.786 175.176 176.870 0.153 0.000 1.157 654 L CA -1.501 53.382 54.840 0.072 0.000 0.889 654 L CB 0.019 42.133 42.059 0.093 0.000 1.158 654 L HN -0.013 nan 8.230 nan 0.000 0.473 655 P HA 0.063 nan 4.420 nan 0.000 0.277 655 P C 0.884 178.297 177.300 0.188 0.000 1.271 655 P CA -0.504 62.657 63.100 0.101 0.000 0.795 655 P CB 1.219 32.940 31.700 0.035 0.000 1.101 656 V N 0.335 120.350 119.914 0.169 0.000 2.594 656 V HA -0.202 3.918 4.120 -0.001 0.000 0.253 656 V C 2.692 178.892 176.094 0.177 0.000 1.069 656 V CA 2.585 65.019 62.300 0.223 0.000 1.082 656 V CB -1.692 30.198 31.823 0.112 0.000 0.680 656 V HN 0.751 nan 8.190 nan 0.000 0.469 657 S N 1.038 116.777 115.700 0.064 0.000 2.469 657 S HA -0.073 4.397 4.470 -0.001 0.000 0.238 657 S C 1.875 176.432 174.600 -0.073 0.000 0.998 657 S CA 1.108 59.311 58.200 0.005 0.000 0.957 657 S CB -0.352 62.840 63.200 -0.015 0.000 0.764 657 S HN 0.579 nan 8.310 nan 0.000 0.514 658 A N 0.084 122.785 122.820 -0.199 0.000 2.169 658 A HA 0.446 4.765 4.320 -0.001 0.000 0.212 658 A C 0.312 177.484 177.584 -0.686 0.000 1.153 658 A CA -0.016 51.718 52.037 -0.504 0.000 0.756 658 A CB -0.359 18.190 19.000 -0.752 0.000 0.813 658 A HN 0.518 nan 8.150 nan 0.000 0.471 659 F N -0.005 119.946 119.950 0.001 0.000 2.507 659 F HA 0.425 4.951 4.527 -0.001 0.000 0.327 659 F C 0.361 176.163 175.800 0.004 0.000 1.068 659 F CA -1.147 56.858 58.000 0.009 0.000 0.965 659 F CB 0.932 39.956 39.000 0.040 0.000 1.192 659 F HN -0.065 nan 8.300 nan 0.000 0.476 660 E N 0.938 121.248 120.200 0.184 0.000 2.344 660 E HA 0.165 4.515 4.350 -0.001 0.000 0.270 660 E C 0.794 177.473 176.600 0.131 0.000 1.021 660 E CA 0.100 56.568 56.400 0.113 0.000 0.887 660 E CB 1.449 31.199 29.700 0.083 0.000 0.997 660 E HN 0.805 nan 8.360 nan 0.000 0.429 661 A N 4.039 126.910 122.820 0.085 0.000 1.958 661 A HA -0.247 4.072 4.320 -0.001 0.000 0.221 661 A C 1.380 179.010 177.584 0.077 0.000 1.178 661 A CA 2.233 54.307 52.037 0.061 0.000 0.642 661 A CB -0.314 18.711 19.000 0.043 0.000 0.816 661 A HN 0.621 nan 8.150 nan 0.000 0.453 662 D N -2.634 117.830 120.400 0.107 0.000 2.328 662 D HA 0.315 4.954 4.640 -0.001 0.000 0.221 662 D C 1.101 177.529 176.300 0.212 0.000 1.072 662 D CA 0.806 54.888 54.000 0.138 0.000 0.850 662 D CB -0.621 40.246 40.800 0.112 0.000 0.922 662 D HN 0.824 nan 8.370 nan 0.000 0.516 663 G N 1.201 110.157 108.800 0.261 0.000 2.184 663 G HA2 -0.371 3.588 3.960 -0.001 0.000 0.264 663 G HA3 -0.371 3.588 3.960 -0.001 0.000 0.264 663 G C 0.391 175.540 174.900 0.416 0.000 0.975 663 G CA 0.264 45.605 45.100 0.401 0.000 0.642 663 G HN 0.777 nan 8.290 nan 0.000 0.536 664 R N -1.154 119.525 120.500 0.298 0.000 2.679 664 R HA 0.675 5.015 4.340 -0.001 0.000 0.269 664 R C -0.651 175.856 176.300 0.344 0.000 1.076 664 R CA -0.175 56.103 56.100 0.297 0.000 1.160 664 R CB 0.482 30.882 30.300 0.167 0.000 1.054 664 R HN 0.098 nan 8.270 nan 0.000 0.507 665 F N 0.448 120.446 119.950 0.079 0.000 2.588 665 F HA 0.494 5.020 4.527 -0.001 0.000 0.314 665 F C -1.891 173.863 175.800 -0.076 0.000 1.069 665 F CA -2.451 55.561 58.000 0.020 0.000 0.931 665 F CB 1.930 40.998 39.000 0.112 0.000 1.260 665 F HN 0.594 nan 8.300 nan 0.000 0.465 666 P HA 0.357 nan 4.420 nan 0.000 0.279 666 P C -0.950 176.374 177.300 0.040 0.000 1.252 666 P CA -0.408 62.612 63.100 -0.133 0.000 0.811 666 P CB 1.219 32.693 31.700 -0.377 0.000 1.035 667 L N 0.622 121.878 121.223 0.054 0.000 2.472 667 L HA 0.356 4.695 4.340 -0.001 0.000 0.260 667 L C 1.789 178.735 176.870 0.126 0.000 1.209 667 L CA 1.526 56.425 54.840 0.099 0.000 0.817 667 L CB -0.708 41.400 42.059 0.082 0.000 1.106 667 L HN 0.861 nan 8.230 nan 0.000 0.479 668 G N -0.322 108.557 108.800 0.132 0.000 2.179 668 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.257 668 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.257 668 G C 0.843 175.886 174.900 0.239 0.000 1.010 668 G CA 0.805 45.985 45.100 0.132 0.000 0.736 668 G HN 0.872 nan 8.290 nan 0.000 0.513 669 T N -1.948 112.814 114.554 0.346 0.000 3.113 669 T HA 0.147 4.497 4.350 -0.001 0.000 0.263 669 T C 2.445 177.455 174.700 0.517 0.000 1.143 669 T CA 1.703 64.137 62.100 0.556 0.000 1.090 669 T CB -0.102 69.145 68.868 0.632 0.000 0.922 669 T HN 1.267 nan 8.240 nan 0.000 0.521 670 S N 0.633 116.527 115.700 0.324 0.000 2.527 670 S HA -0.014 4.455 4.470 -0.001 0.000 0.222 670 S C 1.979 176.731 174.600 0.254 0.000 0.985 670 S CA -0.205 58.181 58.200 0.311 0.000 0.921 670 S CB -0.364 62.994 63.200 0.264 0.000 0.772 670 S HN 0.329 nan 8.310 nan 0.000 0.529 671 Q N 0.573 120.405 119.800 0.053 0.000 2.234 671 Q HA -0.020 4.320 4.340 -0.001 0.000 0.206 671 Q C 0.799 176.446 176.000 -0.588 0.000 0.980 671 Q CA 1.291 56.950 55.803 -0.240 0.000 0.869 671 Q CB -0.485 27.853 28.738 -0.667 0.000 0.912 671 Q HN 0.830 nan 8.270 nan 0.000 0.436 672 F N -0.454 119.421 119.950 -0.125 0.000 2.695 672 F HA 0.174 4.700 4.527 -0.001 0.000 0.303 672 F C 1.853 177.466 175.800 -0.312 0.000 1.091 672 F CA -0.239 57.485 58.000 -0.461 0.000 1.300 672 F CB 0.299 38.553 39.000 -1.242 0.000 1.071 672 F HN 0.014 nan 8.300 nan 0.000 0.578 673 E N 0.782 121.060 120.200 0.131 0.000 2.047 673 E HA -0.128 4.221 4.350 -0.001 0.000 0.191 673 E C 0.477 177.132 176.600 0.090 0.000 0.987 673 E CA 0.559 57.100 56.400 0.235 0.000 0.799 673 E CB -0.001 29.858 29.700 0.265 0.000 0.752 673 E HN -0.022 nan 8.360 nan 0.000 0.449 674 K N 0.724 121.096 120.400 -0.046 0.000 3.540 674 K HA -0.273 4.046 4.320 -0.001 0.000 0.274 674 K C 0.480 177.068 176.600 -0.019 0.000 0.890 674 K CA 0.573 56.799 56.287 -0.102 0.000 0.701 674 K CB -1.186 31.256 32.500 -0.097 0.000 1.523 674 K HN 0.309 nan 8.250 nan 0.000 0.450 675 R N 0.101 120.609 120.500 0.013 0.000 2.105 675 R HA -0.123 4.216 4.340 -0.001 0.000 0.239 675 R C 1.417 177.742 176.300 0.042 0.000 1.135 675 R CA 1.082 57.218 56.100 0.059 0.000 0.967 675 R CB -0.113 30.239 30.300 0.086 0.000 0.861 675 R HN 0.646 nan 8.270 nan 0.000 0.442 676 G N 0.823 109.624 108.800 0.000 0.000 2.314 676 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.292 676 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.292 676 G C 0.476 175.392 174.900 0.027 0.000 1.059 676 G CA 0.400 45.502 45.100 0.003 0.000 0.982 676 G HN 0.379 nan 8.290 nan 0.000 0.505 677 V N -3.289 116.638 119.914 0.023 0.000 3.621 677 V HA 0.756 4.876 4.120 -0.001 0.000 0.285 677 V C 1.376 177.479 176.094 0.015 0.000 1.346 677 V CA 0.656 62.980 62.300 0.040 0.000 1.104 677 V CB 0.034 31.896 31.823 0.066 0.000 0.913 677 V HN 1.642 nan 8.190 nan 0.000 0.432 678 A N 0.306 123.121 122.820 -0.008 0.000 2.425 678 A HA 0.627 4.947 4.320 -0.001 0.000 0.249 678 A C 1.046 178.632 177.584 0.003 0.000 1.084 678 A CA -0.124 51.905 52.037 -0.013 0.000 0.781 678 A CB 0.332 19.316 19.000 -0.026 0.000 1.019 678 A HN 0.385 nan 8.150 nan 0.000 0.490 679 I N 0.849 121.422 120.570 0.006 0.000 2.400 679 I HA -0.038 4.131 4.170 -0.001 0.000 0.248 679 I C 0.295 176.418 176.117 0.010 0.000 1.109 679 I CA 0.688 61.994 61.300 0.010 0.000 1.425 679 I CB -0.011 37.995 38.000 0.010 0.000 1.094 679 I HN 0.580 nan 8.210 nan 0.000 0.425 680 N N 0.425 119.130 118.700 0.008 0.000 2.238 680 N HA 0.465 5.204 4.740 -0.001 0.000 0.302 680 N C -0.932 174.584 175.510 0.009 0.000 1.072 680 N CA -0.242 52.815 53.050 0.011 0.000 0.792 680 N CB 2.981 41.475 38.487 0.013 0.000 1.425 680 N HN -0.122 nan 8.380 nan 0.000 0.478 681 V N -1.164 118.758 119.914 0.014 0.000 3.074 681 V HA 0.777 4.897 4.120 -0.001 0.000 0.314 681 V C -2.625 173.485 176.094 0.027 0.000 1.117 681 V CA -2.309 60.000 62.300 0.014 0.000 1.014 681 V CB 2.411 34.240 31.823 0.010 0.000 1.057 681 V HN 0.451 nan 8.190 nan 0.000 0.438 682 P HA 0.288 nan 4.420 nan 0.000 0.276 682 P C -1.429 175.912 177.300 0.069 0.000 1.244 682 P CA -0.171 62.961 63.100 0.052 0.000 0.801 682 P CB 1.077 32.810 31.700 0.056 0.000 1.006 683 Q N 1.666 121.520 119.800 0.090 0.000 2.310 683 Q HA 0.279 4.619 4.340 -0.001 0.000 0.270 683 Q C -1.574 174.535 176.000 0.182 0.000 1.025 683 Q CA -0.772 55.098 55.803 0.112 0.000 0.772 683 Q CB 1.138 29.919 28.738 0.071 0.000 1.253 683 Q HN 0.378 nan 8.270 nan 0.000 0.450 684 W N 4.784 126.078 121.300 -0.009 0.000 2.266 684 W HA 0.355 5.014 4.660 -0.001 0.000 0.317 684 W C -1.073 175.443 176.519 -0.005 0.000 1.310 684 W CA -0.347 56.992 57.345 -0.009 0.000 1.207 684 W CB 0.932 30.375 29.460 -0.029 0.000 1.199 684 W HN 0.397 nan 8.180 nan 0.000 0.544 685 V N 10.390 130.109 119.914 -0.325 0.000 2.235 685 V HA 0.123 4.242 4.120 -0.001 0.000 0.266 685 V C -1.103 174.538 176.094 -0.754 0.000 1.055 685 V CA -1.235 60.833 62.300 -0.388 0.000 0.844 685 V CB 0.935 32.648 31.823 -0.183 0.000 1.097 685 V HN 0.515 nan 8.190 nan 0.000 0.453 686 P HA -0.181 nan 4.420 nan 0.000 0.220 686 P C 0.941 177.914 177.300 -0.545 0.000 1.144 686 P CA 1.188 63.500 63.100 -1.313 0.000 0.800 686 P CB 0.567 31.506 31.700 -1.269 0.000 0.772 687 E N -0.134 119.849 120.200 -0.363 0.000 2.347 687 E HA -0.094 4.256 4.350 -0.001 0.000 0.196 687 E C 1.290 177.802 176.600 -0.147 0.000 1.008 687 E CA 0.977 57.260 56.400 -0.197 0.000 0.852 687 E CB -0.604 29.009 29.700 -0.146 0.000 0.783 687 E HN 0.524 nan 8.360 nan 0.000 0.505 688 N N -0.909 117.688 118.700 -0.170 0.000 2.197 688 N HA 0.088 4.828 4.740 -0.001 0.000 0.201 688 N C -0.429 175.050 175.510 -0.051 0.000 1.148 688 N CA -0.313 52.681 53.050 -0.093 0.000 0.883 688 N CB 0.678 39.119 38.487 -0.076 0.000 1.012 688 N HN 0.012 nan 8.380 nan 0.000 0.507 689 C N 2.363 121.622 119.300 -0.069 0.000 2.648 689 C HA 0.201 4.661 4.460 -0.001 0.000 0.415 689 C C 1.725 176.774 174.990 0.098 0.000 1.366 689 C CA -0.613 58.470 59.018 0.108 0.000 1.756 689 C CB -1.204 26.731 27.740 0.326 0.000 2.549 689 C HN 0.504 nan 8.230 nan 0.000 0.597 690 I N 2.379 122.997 120.570 0.080 0.000 3.861 690 I HA 0.227 4.397 4.170 -0.001 0.000 0.329 690 I C 0.769 176.859 176.117 -0.045 0.000 1.321 690 I CA 0.026 61.333 61.300 0.012 0.000 1.126 690 I CB -0.728 37.268 38.000 -0.006 0.000 1.018 690 I HN 0.854 nan 8.210 nan 0.000 0.407 691 Q N 0.875 120.662 119.800 -0.023 0.000 2.451 691 Q HA -0.223 4.116 4.340 -0.001 0.000 0.305 691 Q C 1.291 177.125 176.000 -0.276 0.000 1.345 691 Q CA 0.634 56.232 55.803 -0.343 0.000 0.854 691 Q CB -1.909 26.385 28.738 -0.740 0.000 1.162 691 Q HN 0.962 nan 8.270 nan 0.000 0.440 692 C N -2.854 116.399 119.300 -0.079 0.000 2.590 692 C HA 0.211 4.670 4.460 -0.001 0.000 0.272 692 C C 1.087 176.028 174.990 -0.082 0.000 1.338 692 C CA 0.314 59.279 59.018 -0.088 0.000 1.746 692 C CB 0.114 27.819 27.740 -0.058 0.000 2.020 692 C HN 0.756 nan 8.230 nan 0.000 0.531 693 N N 0.474 119.175 118.700 0.002 0.000 2.850 693 N HA -0.187 4.553 4.740 -0.001 0.000 0.249 693 N C 0.693 176.212 175.510 0.015 0.000 1.060 693 N CA 1.354 54.401 53.050 -0.005 0.000 0.825 693 N CB -1.685 36.714 38.487 -0.145 0.000 1.132 693 N HN 0.788 nan 8.380 nan 0.000 0.564 694 Q N -0.755 119.045 119.800 -0.000 0.000 2.172 694 Q HA -0.054 4.286 4.340 -0.001 0.000 0.200 694 Q C 2.267 178.304 176.000 0.062 0.000 0.964 694 Q CA 1.748 57.547 55.803 -0.006 0.000 0.855 694 Q CB -0.051 28.654 28.738 -0.056 0.000 0.918 694 Q HN 0.826 nan 8.270 nan 0.000 0.444 695 C N -0.356 118.975 119.300 0.052 0.000 2.429 695 C HA 0.034 4.493 4.460 -0.001 0.000 0.277 695 C C 2.725 177.740 174.990 0.042 0.000 1.262 695 C CA 0.487 59.534 59.018 0.048 0.000 1.733 695 C CB -1.286 26.480 27.740 0.044 0.000 2.010 695 C HN 0.450 nan 8.230 nan 0.000 0.483 696 A N 0.051 122.891 122.820 0.033 0.000 1.929 696 A HA 0.004 4.324 4.320 -0.001 0.000 0.216 696 A C 2.005 179.606 177.584 0.029 0.000 1.176 696 A CA 1.402 53.443 52.037 0.006 0.000 0.628 696 A CB -1.042 17.943 19.000 -0.025 0.000 0.816 696 A HN 0.607 nan 8.150 nan 0.000 0.444 697 F N 0.334 120.239 119.950 -0.075 0.000 2.126 697 F HA -0.173 4.354 4.527 -0.001 0.000 0.299 697 F C 2.122 177.871 175.800 -0.084 0.000 1.096 697 F CA 1.988 59.945 58.000 -0.071 0.000 1.255 697 F CB 0.118 39.083 39.000 -0.058 0.000 0.997 697 F HN 0.050 nan 8.300 nan 0.000 0.479 698 V N -0.945 119.079 119.914 0.184 0.000 2.951 698 V HA -0.110 4.009 4.120 -0.001 0.000 0.255 698 V C 1.121 177.198 176.094 -0.028 0.000 1.088 698 V CA 0.374 62.712 62.300 0.065 0.000 1.109 698 V CB -0.499 31.364 31.823 0.067 0.000 0.724 698 V HN 0.417 nan 8.190 nan 0.000 0.471 699 C N 3.228 122.513 119.300 -0.025 0.000 2.592 699 C HA 0.102 4.561 4.460 -0.001 0.000 0.408 699 C C -0.393 174.551 174.990 -0.076 0.000 1.436 699 C CA -0.831 58.172 59.018 -0.024 0.000 1.595 699 C CB 0.268 28.007 27.740 -0.003 0.000 2.487 699 C HN 0.352 nan 8.230 nan 0.000 0.610 700 P HA 0.033 nan 4.420 nan 0.000 0.237 700 P C 0.047 177.119 177.300 -0.379 0.000 1.178 700 P CA 1.330 64.319 63.100 -0.185 0.000 0.766 700 P CB 0.032 31.685 31.700 -0.079 0.000 0.876 701 H N -3.258 115.746 119.070 -0.111 0.000 3.230 701 H HA 0.296 4.851 4.556 -0.001 0.000 0.259 701 H C 0.499 175.816 175.328 -0.019 0.000 1.195 701 H CA -0.024 55.987 56.048 -0.061 0.000 1.112 701 H CB 0.168 29.951 29.762 0.036 0.000 1.638 701 H HN -0.212 nan 8.280 nan 0.000 0.624 702 S N 0.073 115.766 115.700 -0.011 0.000 3.635 702 S HA -0.255 4.215 4.470 -0.001 0.000 0.328 702 S C 1.363 176.063 174.600 0.168 0.000 1.135 702 S CA 0.484 58.657 58.200 -0.045 0.000 0.942 702 S CB -1.427 61.604 63.200 -0.282 0.000 0.930 702 S HN 0.677 nan 8.310 nan 0.000 0.512 703 A N -0.116 122.817 122.820 0.189 0.000 2.238 703 A HA 0.459 4.778 4.320 -0.001 0.000 0.208 703 A C 0.637 178.261 177.584 0.067 0.000 1.177 703 A CA 0.379 52.519 52.037 0.171 0.000 0.804 703 A CB 0.016 19.081 19.000 0.108 0.000 0.823 703 A HN 0.668 nan 8.150 nan 0.000 0.482 704 I N 0.513 121.101 120.570 0.030 0.000 2.406 704 I HA 0.323 4.492 4.170 -0.001 0.000 0.290 704 I C -1.099 174.988 176.117 -0.049 0.000 0.999 704 I CA -0.812 60.469 61.300 -0.031 0.000 1.124 704 I CB 1.993 39.965 38.000 -0.047 0.000 1.289 704 I HN 0.075 nan 8.210 nan 0.000 0.441 705 L N 10.078 131.252 121.223 -0.082 0.000 2.295 705 L HA 0.616 4.955 4.340 -0.001 0.000 0.281 705 L C -2.602 174.172 176.870 -0.160 0.000 1.018 705 L CA -1.932 52.861 54.840 -0.079 0.000 0.841 705 L CB 0.940 42.981 42.059 -0.031 0.000 1.218 705 L HN 0.221 nan 8.230 nan 0.000 0.424 706 P HA 0.258 nan 4.420 nan 0.000 0.271 706 P C -1.227 176.001 177.300 -0.120 0.000 1.216 706 P CA -0.138 62.852 63.100 -0.184 0.000 0.776 706 P CB 1.183 32.909 31.700 0.043 0.000 0.881 707 V N 4.219 123.954 119.914 -0.299 0.000 2.656 707 V HA 0.442 4.561 4.120 -0.001 0.000 0.307 707 V C -0.535 175.479 176.094 -0.134 0.000 1.051 707 V CA -0.516 61.691 62.300 -0.155 0.000 0.893 707 V CB 1.896 33.654 31.823 -0.108 0.000 0.999 707 V HN 0.311 nan 8.190 nan 0.000 0.426 708 L N 4.564 125.728 121.223 -0.099 0.000 2.471 708 L HA 0.886 5.225 4.340 -0.001 0.000 0.263 708 L C -0.086 176.778 176.870 -0.010 0.000 0.985 708 L CA 0.034 54.804 54.840 -0.116 0.000 0.868 708 L CB 1.107 42.826 42.059 -0.567 0.000 1.203 708 L HN 0.817 nan 8.230 nan 0.000 0.429 709 A N 4.314 127.218 122.820 0.141 0.000 2.350 709 A HA 0.853 5.173 4.320 -0.001 0.000 0.318 709 A C -0.701 177.028 177.584 0.242 0.000 1.132 709 A CA -0.751 51.393 52.037 0.179 0.000 0.811 709 A CB 1.284 20.391 19.000 0.178 0.000 1.313 709 A HN 0.579 nan 8.150 nan 0.000 0.454 710 K N 0.143 120.640 120.400 0.161 0.000 2.106 710 K HA 0.291 4.610 4.320 -0.001 0.000 0.246 710 K C 0.424 177.062 176.600 0.064 0.000 0.987 710 K CA -0.618 55.703 56.287 0.057 0.000 0.904 710 K CB 1.228 33.725 32.500 -0.004 0.000 1.071 710 K HN 0.788 nan 8.250 nan 0.000 0.453 711 E N 1.699 121.917 120.200 0.030 0.000 2.065 711 E HA -0.303 4.047 4.350 -0.001 0.000 0.201 711 E C 1.624 178.258 176.600 0.055 0.000 1.016 711 E CA 2.163 58.592 56.400 0.048 0.000 0.818 711 E CB 0.017 29.730 29.700 0.023 0.000 0.749 711 E HN 0.618 nan 8.360 nan 0.000 0.453 712 E N 0.804 121.024 120.200 0.034 0.000 2.130 712 E HA -0.249 4.100 4.350 -0.001 0.000 0.196 712 E C 1.684 178.315 176.600 0.052 0.000 0.998 712 E CA 1.305 57.725 56.400 0.034 0.000 0.806 712 E CB -0.351 29.359 29.700 0.017 0.000 0.738 712 E HN 0.343 nan 8.360 nan 0.000 0.459 713 E N -0.113 120.124 120.200 0.062 0.000 2.478 713 E HA -0.057 4.292 4.350 -0.001 0.000 0.198 713 E C 0.769 177.449 176.600 0.133 0.000 1.046 713 E CA 0.150 56.590 56.400 0.066 0.000 0.870 713 E CB 0.225 29.957 29.700 0.053 0.000 0.818 713 E HN 0.143 nan 8.360 nan 0.000 0.527 714 L N -0.278 121.040 121.223 0.158 0.000 2.769 714 L HA 0.058 4.397 4.340 -0.001 0.000 0.240 714 L C 1.377 178.321 176.870 0.124 0.000 1.163 714 L CA 0.347 55.312 54.840 0.208 0.000 0.962 714 L CB 0.557 42.751 42.059 0.224 0.000 1.258 714 L HN -0.039 nan 8.230 nan 0.000 0.513 715 V N 0.076 120.050 119.914 0.100 0.000 2.223 715 V HA -0.166 3.953 4.120 -0.001 0.000 0.244 715 V C 2.167 178.266 176.094 0.008 0.000 1.045 715 V CA 2.065 64.395 62.300 0.050 0.000 1.000 715 V CB -1.081 30.768 31.823 0.044 0.000 0.635 715 V HN 0.532 nan 8.190 nan 0.000 0.445 716 G N -0.276 108.547 108.800 0.038 0.000 3.155 716 G HA2 0.314 4.273 3.960 -0.001 0.000 0.213 716 G HA3 0.314 4.273 3.960 -0.001 0.000 0.213 716 G C 0.507 175.197 174.900 -0.350 0.000 1.196 716 G CA 0.457 45.533 45.100 -0.040 0.000 0.846 716 G HN 0.628 nan 8.290 nan 0.000 0.516 717 A N 0.943 123.458 122.820 -0.508 0.000 2.477 717 A HA 0.559 4.878 4.320 -0.001 0.000 0.246 717 A C -1.793 175.431 177.584 -0.600 0.000 1.078 717 A CA -0.945 50.420 52.037 -1.120 0.000 0.770 717 A CB 0.301 18.948 19.000 -0.588 0.000 1.011 717 A HN 0.204 nan 8.150 nan 0.000 0.494 718 P HA 0.089 nan 4.420 nan 0.000 0.267 718 P C 1.033 178.289 177.300 -0.072 0.000 1.201 718 P CA 0.733 63.689 63.100 -0.241 0.000 0.775 718 P CB 0.583 32.184 31.700 -0.166 0.000 0.854 719 A N 3.278 126.079 122.820 -0.032 0.000 1.917 719 A HA -0.227 4.093 4.320 -0.001 0.000 0.219 719 A C 1.530 179.147 177.584 0.055 0.000 1.182 719 A CA 1.930 53.973 52.037 0.010 0.000 0.633 719 A CB -1.170 17.832 19.000 0.003 0.000 0.819 719 A HN 0.736 nan 8.150 nan 0.000 0.448 720 N N -1.182 117.560 118.700 0.070 0.000 2.515 720 N HA -0.035 4.704 4.740 -0.001 0.000 0.191 720 N C 0.208 175.810 175.510 0.154 0.000 1.182 720 N CA 0.066 53.171 53.050 0.092 0.000 0.879 720 N CB -0.390 38.142 38.487 0.076 0.000 0.984 720 N HN 0.362 nan 8.380 nan 0.000 0.453 721 F N 3.209 123.159 119.950 -0.000 0.000 2.668 721 F HA 0.095 4.622 4.527 -0.001 0.000 0.365 721 F C 0.171 176.019 175.800 0.080 0.000 1.165 721 F CA -0.458 57.560 58.000 0.030 0.000 1.344 721 F CB -1.044 37.938 39.000 -0.031 0.000 1.658 721 F HN -0.200 nan 8.300 nan 0.000 0.620 722 T N 2.388 116.967 114.554 0.042 0.000 2.871 722 T HA 0.374 4.723 4.350 -0.001 0.000 0.296 722 T C 0.250 174.995 174.700 0.075 0.000 0.998 722 T CA 0.234 62.369 62.100 0.058 0.000 1.162 722 T CB 0.360 69.258 68.868 0.049 0.000 0.947 722 T HN 0.497 nan 8.240 nan 0.000 0.536 723 A N 3.983 126.867 122.820 0.107 0.000 2.393 723 A HA 0.729 5.048 4.320 -0.001 0.000 0.306 723 A C -0.366 177.337 177.584 0.197 0.000 1.050 723 A CA -0.937 51.198 52.037 0.164 0.000 0.724 723 A CB 1.059 20.130 19.000 0.119 0.000 1.248 723 A HN 0.794 nan 8.150 nan 0.000 0.424 724 L N 1.328 122.729 121.223 0.297 0.000 2.421 724 L HA 0.405 4.744 4.340 -0.001 0.000 0.263 724 L C 0.804 177.815 176.870 0.235 0.000 1.122 724 L CA -0.736 54.251 54.840 0.244 0.000 0.804 724 L CB 0.958 43.202 42.059 0.308 0.000 1.150 724 L HN 0.873 nan 8.230 nan 0.000 0.457 725 E N 1.186 121.484 120.200 0.163 0.000 2.316 725 E HA 0.418 4.767 4.350 -0.001 0.000 0.275 725 E C -0.472 176.228 176.600 0.165 0.000 1.029 725 E CA -0.818 55.672 56.400 0.150 0.000 0.871 725 E CB 1.157 30.915 29.700 0.097 0.000 1.022 725 E HN 0.597 nan 8.360 nan 0.000 0.418 726 A N 4.444 127.386 122.820 0.202 0.000 2.566 726 A HA 0.002 4.321 4.320 -0.001 0.000 0.245 726 A C 0.028 177.663 177.584 0.086 0.000 1.056 726 A CA 0.084 52.226 52.037 0.175 0.000 0.757 726 A CB 0.080 19.229 19.000 0.248 0.000 0.979 726 A HN 0.642 nan 8.150 nan 0.000 0.508 727 K N 1.212 121.613 120.400 0.002 0.000 2.144 727 K HA 0.564 4.883 4.320 -0.001 0.000 0.270 727 K C 0.432 177.030 176.600 -0.003 0.000 1.005 727 K CA 0.670 56.948 56.287 -0.014 0.000 0.932 727 K CB 1.144 33.607 32.500 -0.062 0.000 1.021 727 K HN 1.519 nan 8.250 nan 0.000 0.462 728 G N 1.372 110.179 108.800 0.012 0.000 2.674 728 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.686 728 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.686 728 G C 0.129 175.057 174.900 0.047 0.000 1.195 728 G CA -0.426 44.688 45.100 0.023 0.000 0.776 728 G HN 0.646 nan 8.290 nan 0.000 0.654 729 K N 0.227 120.652 120.400 0.041 0.000 2.026 729 K HA -0.097 4.223 4.320 -0.001 0.000 0.208 729 K C 2.112 178.754 176.600 0.070 0.000 1.048 729 K CA 2.167 58.483 56.287 0.047 0.000 0.929 729 K CB -0.068 32.453 32.500 0.035 0.000 0.713 729 K HN 0.542 nan 8.250 nan 0.000 0.439 730 E N 0.448 120.692 120.200 0.073 0.000 2.478 730 E HA -0.080 4.269 4.350 -0.001 0.000 0.198 730 E C 0.937 177.626 176.600 0.149 0.000 1.046 730 E CA 0.616 57.072 56.400 0.092 0.000 0.870 730 E CB 0.079 29.820 29.700 0.068 0.000 0.818 730 E HN 0.333 nan 8.360 nan 0.000 0.527 731 L N 0.311 121.630 121.223 0.159 0.000 2.910 731 L HA 0.209 4.549 4.340 -0.001 0.000 0.252 731 L C 0.600 177.671 176.870 0.335 0.000 1.195 731 L CA -0.435 54.569 54.840 0.274 0.000 1.003 731 L CB 0.180 42.321 42.059 0.137 0.000 1.328 731 L HN -0.050 nan 8.230 nan 0.000 0.540 732 K N 1.314 121.830 120.400 0.193 0.000 2.472 732 K HA 0.160 4.480 4.320 -0.001 0.000 0.280 732 K C 1.158 177.780 176.600 0.037 0.000 1.028 732 K CA 1.153 57.501 56.287 0.102 0.000 1.045 732 K CB 0.423 32.956 32.500 0.055 0.000 0.902 732 K HN 0.310 nan 8.250 nan 0.000 0.478 733 G N 3.255 112.064 108.800 0.015 0.000 2.234 733 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.235 733 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.235 733 G C -0.420 174.411 174.900 -0.115 0.000 0.997 733 G CA -0.037 45.010 45.100 -0.089 0.000 0.623 733 G HN 0.615 nan 8.290 nan 0.000 0.514 734 Y N 1.072 121.398 120.300 0.044 0.000 2.307 734 Y HA 0.635 5.184 4.550 -0.001 0.000 0.324 734 Y C 0.898 176.857 175.900 0.099 0.000 1.238 734 Y CA -0.420 57.713 58.100 0.055 0.000 1.280 734 Y CB 0.915 39.395 38.460 0.034 0.000 1.248 734 Y HN -0.182 nan 8.280 nan 0.000 0.508 735 K N 2.881 123.458 120.400 0.295 0.000 2.235 735 K HA 0.253 4.573 4.320 -0.001 0.000 0.266 735 K C -1.408 175.368 176.600 0.293 0.000 0.980 735 K CA -0.551 55.889 56.287 0.255 0.000 0.849 735 K CB 1.445 34.065 32.500 0.200 0.000 1.098 735 K HN 0.552 nan 8.250 nan 0.000 0.445 736 F N 2.952 122.992 119.950 0.150 0.000 2.422 736 F HA 0.472 4.999 4.527 -0.001 0.000 0.333 736 F C -0.098 175.766 175.800 0.107 0.000 1.095 736 F CA -0.627 57.451 58.000 0.131 0.000 1.038 736 F CB 1.174 40.279 39.000 0.174 0.000 1.156 736 F HN 0.455 nan 8.300 nan 0.000 0.483 737 R N 6.455 126.453 120.500 -0.837 0.000 2.604 737 R HA 0.471 4.810 4.340 -0.001 0.000 0.270 737 R C -2.278 173.154 176.300 -1.447 0.000 1.052 737 R CA -0.749 54.786 56.100 -0.942 0.000 0.902 737 R CB 1.454 31.374 30.300 -0.633 0.000 1.233 737 R HN 0.642 nan 8.270 nan 0.000 0.455 738 I N 4.077 123.461 120.570 -1.976 0.000 2.330 738 I HA 0.188 4.357 4.170 -0.001 0.000 0.286 738 I C -0.373 175.156 176.117 -0.980 0.000 1.025 738 I CA -0.414 60.003 61.300 -1.472 0.000 1.197 738 I CB 1.190 38.122 38.000 -1.780 0.000 1.358 738 I HN 0.608 nan 8.210 nan 0.000 0.467 739 Q N 6.793 126.266 119.800 -0.545 0.000 2.322 739 Q HA 0.362 4.702 4.340 -0.001 0.000 0.256 739 Q C -0.765 175.141 176.000 -0.157 0.000 0.960 739 Q CA -0.289 55.349 55.803 -0.274 0.000 0.934 739 Q CB 0.810 29.474 28.738 -0.122 0.000 1.200 739 Q HN 0.359 nan 8.270 nan 0.000 0.435 740 I N 4.116 124.631 120.570 -0.092 0.000 2.416 740 I HA 0.113 4.283 4.170 -0.001 0.000 0.288 740 I C 0.305 176.413 176.117 -0.015 0.000 1.051 740 I CA -0.234 61.042 61.300 -0.040 0.000 1.375 740 I CB 0.620 38.620 38.000 -0.001 0.000 1.407 740 I HN 0.672 nan 8.210 nan 0.000 0.516 741 N N 5.271 123.962 118.700 -0.016 0.000 2.807 741 N HA 0.001 4.741 4.740 -0.001 0.000 0.259 741 N C 1.301 176.779 175.510 -0.052 0.000 1.149 741 N CA -0.027 53.001 53.050 -0.036 0.000 1.042 741 N CB 0.517 38.981 38.487 -0.038 0.000 1.367 741 N HN 0.687 nan 8.380 nan 0.000 0.516 742 T N 0.266 114.800 114.554 -0.034 0.000 2.849 742 T HA -0.129 4.221 4.350 -0.001 0.000 0.270 742 T C 1.775 176.443 174.700 -0.054 0.000 1.066 742 T CA 0.881 62.963 62.100 -0.030 0.000 1.130 742 T CB -0.129 68.735 68.868 -0.006 0.000 0.864 742 T HN 0.402 nan 8.240 nan 0.000 0.481 743 L N 0.301 121.472 121.223 -0.086 0.000 2.341 743 L HA 0.138 4.478 4.340 -0.001 0.000 0.214 743 L C 2.086 178.865 176.870 -0.153 0.000 1.115 743 L CA 0.876 55.656 54.840 -0.100 0.000 0.820 743 L CB -0.254 41.745 42.059 -0.101 0.000 0.944 743 L HN 0.202 nan 8.230 nan 0.000 0.452 744 D N -0.844 119.418 120.400 -0.229 0.000 2.360 744 D HA 0.014 4.653 4.640 -0.001 0.000 0.210 744 D C 0.626 176.854 176.300 -0.120 0.000 1.047 744 D CA 0.121 53.953 54.000 -0.281 0.000 0.854 744 D CB 0.319 40.696 40.800 -0.705 0.000 0.936 744 D HN 0.211 nan 8.370 nan 0.000 0.514 745 C N 1.170 120.416 119.300 -0.091 0.000 2.652 745 C HA 0.120 4.580 4.460 -0.001 0.000 0.412 745 C C 1.579 176.496 174.990 -0.121 0.000 1.294 745 C CA -0.228 58.750 59.018 -0.066 0.000 2.127 745 C CB -0.115 27.605 27.740 -0.034 0.000 2.691 745 C HN 0.169 nan 8.230 nan 0.000 0.615 746 M N 3.763 123.262 119.600 -0.167 0.000 2.333 746 M HA 0.210 4.689 4.480 -0.001 0.000 0.257 746 M C 1.613 177.862 176.300 -0.085 0.000 1.078 746 M CA 0.949 56.132 55.300 -0.195 0.000 1.005 746 M CB -0.909 31.458 32.600 -0.388 0.000 1.444 746 M HN 1.174 nan 8.290 nan 0.000 0.496 747 G N 1.507 110.277 108.800 -0.049 0.000 2.273 747 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.280 747 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.280 747 G C 0.955 175.852 174.900 -0.005 0.000 1.047 747 G CA 0.473 45.563 45.100 -0.017 0.000 0.869 747 G HN 0.669 nan 8.290 nan 0.000 0.502 748 C N -2.411 116.889 119.300 0.000 0.000 2.467 748 C HA 0.538 4.998 4.460 -0.001 0.000 0.279 748 C C 2.555 177.555 174.990 0.017 0.000 1.347 748 C CA 1.211 60.237 59.018 0.013 0.000 1.748 748 C CB -0.613 27.142 27.740 0.025 0.000 1.977 748 C HN 2.417 nan 8.230 nan 0.000 0.501 749 G N 1.021 109.832 108.800 0.019 0.000 2.175 749 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.244 749 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.244 749 G C 0.717 175.632 174.900 0.025 0.000 0.982 749 G CA 0.479 45.593 45.100 0.022 0.000 0.641 749 G HN 0.493 nan 8.290 nan 0.000 0.527 750 N N 0.320 119.035 118.700 0.024 0.000 2.104 750 N HA -0.196 4.543 4.740 -0.001 0.000 0.190 750 N C 2.758 178.283 175.510 0.026 0.000 1.024 750 N CA 2.242 55.305 53.050 0.023 0.000 0.853 750 N CB -0.563 37.935 38.487 0.017 0.000 1.008 750 N HN 0.926 nan 8.380 nan 0.000 0.424 751 C N 0.615 119.933 119.300 0.029 0.000 2.413 751 C HA 0.054 4.513 4.460 -0.001 0.000 0.278 751 C C 2.828 177.844 174.990 0.043 0.000 1.224 751 C CA 0.803 59.842 59.018 0.036 0.000 1.732 751 C CB -1.401 26.361 27.740 0.038 0.000 2.050 751 C HN 0.371 nan 8.230 nan 0.000 0.463 752 A N 1.280 124.127 122.820 0.045 0.000 1.940 752 A HA -0.235 4.084 4.320 -0.001 0.000 0.219 752 A C 1.901 179.507 177.584 0.037 0.000 1.176 752 A CA 2.474 54.540 52.037 0.048 0.000 0.631 752 A CB -1.075 17.951 19.000 0.044 0.000 0.814 752 A HN 0.702 nan 8.150 nan 0.000 0.446 753 D N -0.350 120.068 120.400 0.030 0.000 2.178 753 D HA -0.113 4.526 4.640 -0.001 0.000 0.202 753 D C 1.413 177.725 176.300 0.020 0.000 0.974 753 D CA 1.557 55.571 54.000 0.024 0.000 0.841 753 D CB -0.117 40.697 40.800 0.023 0.000 0.953 753 D HN 0.554 nan 8.370 nan 0.000 0.478 754 I N -1.773 118.810 120.570 0.021 0.000 4.057 754 I HA 0.245 4.415 4.170 -0.001 0.000 0.334 754 I C 0.302 176.427 176.117 0.013 0.000 1.308 754 I CA -0.839 60.468 61.300 0.011 0.000 1.125 754 I CB -0.919 37.084 38.000 0.004 0.000 1.034 754 I HN -0.071 nan 8.210 nan 0.000 0.401 755 C N 4.638 123.956 119.300 0.029 0.000 2.409 755 C HA 0.065 4.525 4.460 -0.001 0.000 0.399 755 C C -0.220 174.785 174.990 0.025 0.000 1.505 755 C CA -0.561 58.482 59.018 0.042 0.000 1.435 755 C CB -0.213 27.568 27.740 0.067 0.000 2.462 755 C HN 0.394 nan 8.230 nan 0.000 0.619 756 P HA -0.113 nan 4.420 nan 0.000 0.214 756 P C -1.705 175.597 177.300 0.002 0.000 1.172 756 P CA 1.564 64.663 63.100 -0.001 0.000 0.925 756 P CB -1.158 30.536 31.700 -0.010 0.000 0.793 757 P HA -0.063 nan 4.420 nan 0.000 0.262 757 P C 0.303 177.604 177.300 0.002 0.000 1.182 757 P CA 0.659 63.760 63.100 0.003 0.000 0.761 757 P CB 0.671 32.373 31.700 0.005 0.000 0.795 758 K N 1.498 121.896 120.400 -0.003 0.000 2.074 758 K HA -0.185 4.135 4.320 -0.001 0.000 0.209 758 K C 0.955 177.553 176.600 -0.003 0.000 1.048 758 K CA 1.435 57.720 56.287 -0.003 0.000 0.926 758 K CB -0.151 32.346 32.500 -0.006 0.000 0.713 758 K HN 0.424 nan 8.250 nan 0.000 0.444 759 E N 2.280 122.476 120.200 -0.007 0.000 1.924 759 E HA 0.021 4.371 4.350 -0.001 0.000 0.261 759 E C -0.942 175.652 176.600 -0.010 0.000 1.088 759 E CA -0.266 56.127 56.400 -0.012 0.000 0.909 759 E CB 0.068 29.756 29.700 -0.020 0.000 1.112 759 E HN -0.079 nan 8.360 nan 0.000 0.425 760 K N 2.258 122.658 120.400 -0.000 0.000 2.569 760 K HA -0.062 4.257 4.320 -0.001 0.000 0.280 760 K C 0.586 177.190 176.600 0.007 0.000 0.984 760 K CA 0.688 56.982 56.287 0.013 0.000 1.064 760 K CB 0.760 33.272 32.500 0.021 0.000 0.866 760 K HN 0.538 nan 8.250 nan 0.000 0.492 761 A N 3.884 126.725 122.820 0.035 0.000 2.238 761 A HA 0.151 4.470 4.320 -0.001 0.000 0.210 761 A C 0.481 178.134 177.584 0.114 0.000 1.179 761 A CA 0.270 52.321 52.037 0.023 0.000 0.827 761 A CB 0.184 19.240 19.000 0.094 0.000 0.856 761 A HN 0.544 nan 8.150 nan 0.000 0.488 762 L N 0.595 121.888 121.223 0.117 0.000 2.406 762 L HA 0.548 4.887 4.340 -0.001 0.000 0.272 762 L C -1.445 175.470 176.870 0.075 0.000 0.980 762 L CA -0.713 54.208 54.840 0.134 0.000 0.831 762 L CB 2.402 44.548 42.059 0.145 0.000 1.253 762 L HN -0.084 nan 8.230 nan 0.000 0.406 763 V N 3.295 123.248 119.914 0.065 0.000 2.638 763 V HA 0.460 4.579 4.120 -0.001 0.000 0.306 763 V C 0.088 176.207 176.094 0.042 0.000 1.052 763 V CA -0.742 61.583 62.300 0.042 0.000 0.885 763 V CB 2.124 33.963 31.823 0.027 0.000 0.999 763 V HN 0.624 nan 8.190 nan 0.000 0.424 764 M N 4.466 124.086 119.600 0.033 0.000 2.228 764 M HA 0.446 4.925 4.480 -0.001 0.000 0.351 764 M C -0.249 176.066 176.300 0.025 0.000 1.233 764 M CA 0.443 55.760 55.300 0.029 0.000 1.129 764 M CB 0.400 33.014 32.600 0.023 0.000 1.604 764 M HN 0.665 nan 8.290 nan 0.000 0.457 765 Q N 2.269 122.084 119.800 0.025 0.000 2.462 765 Q HA 0.542 4.881 4.340 -0.001 0.000 0.285 765 Q C -2.623 173.390 176.000 0.021 0.000 1.035 765 Q CA -1.911 53.906 55.803 0.023 0.000 0.799 765 Q CB 1.555 30.309 28.738 0.026 0.000 1.452 765 Q HN 0.322 nan 8.270 nan 0.000 0.404 766 P HA -0.060 nan 4.420 nan 0.000 0.265 766 P C 0.854 178.167 177.300 0.022 0.000 1.193 766 P CA -0.080 63.032 63.100 0.020 0.000 0.765 766 P CB 0.466 32.178 31.700 0.020 0.000 0.823 767 L N 4.979 126.214 121.223 0.020 0.000 2.021 767 L HA -0.268 4.071 4.340 -0.001 0.000 0.215 767 L C 1.424 178.310 176.870 0.025 0.000 1.074 767 L CA 2.415 57.267 54.840 0.020 0.000 0.760 767 L CB -1.440 40.630 42.059 0.018 0.000 0.889 767 L HN 0.398 nan 8.230 nan 0.000 0.433 768 D N -2.073 118.344 120.400 0.030 0.000 2.182 768 D HA -0.222 4.418 4.640 -0.001 0.000 0.201 768 D C 1.945 178.264 176.300 0.032 0.000 0.986 768 D CA 1.549 55.570 54.000 0.035 0.000 0.847 768 D CB -1.197 39.628 40.800 0.042 0.000 0.942 768 D HN 0.554 nan 8.370 nan 0.000 0.467 769 T N -3.506 111.066 114.554 0.030 0.000 3.113 769 T HA -0.051 4.298 4.350 -0.001 0.000 0.263 769 T C 1.469 176.187 174.700 0.030 0.000 1.143 769 T CA 0.592 62.709 62.100 0.029 0.000 1.090 769 T CB 0.026 68.910 68.868 0.026 0.000 0.922 769 T HN 0.055 nan 8.240 nan 0.000 0.521 770 Q N 0.517 120.335 119.800 0.030 0.000 2.369 770 Q HA 0.210 4.550 4.340 -0.001 0.000 0.254 770 Q C 2.499 178.517 176.000 0.032 0.000 0.858 770 Q CA 0.434 56.257 55.803 0.033 0.000 0.961 770 Q CB 0.067 28.825 28.738 0.033 0.000 1.119 770 Q HN 0.761 nan 8.270 nan 0.000 0.538 771 R N 1.195 121.711 120.500 0.027 0.000 2.073 771 R HA -0.116 4.224 4.340 -0.001 0.000 0.234 771 R C 1.028 177.344 176.300 0.026 0.000 1.134 771 R CA 1.720 57.834 56.100 0.023 0.000 0.952 771 R CB -0.461 29.851 30.300 0.019 0.000 0.850 771 R HN -0.031 nan 8.270 nan 0.000 0.433 772 D N 1.315 121.731 120.400 0.027 0.000 2.133 772 D HA -0.162 4.478 4.640 -0.001 0.000 0.195 772 D C 1.974 178.292 176.300 0.030 0.000 0.997 772 D CA 1.948 55.963 54.000 0.025 0.000 0.840 772 D CB -0.193 40.621 40.800 0.023 0.000 0.947 772 D HN 0.502 nan 8.370 nan 0.000 0.452 773 A N 0.726 123.568 122.820 0.037 0.000 1.874 773 A HA -0.124 4.195 4.320 -0.001 0.000 0.214 773 A C 2.105 179.728 177.584 0.065 0.000 1.189 773 A CA 0.948 53.014 52.037 0.049 0.000 0.615 773 A CB -0.216 18.815 19.000 0.052 0.000 0.830 773 A HN 0.019 nan 8.150 nan 0.000 0.443 774 Q N -0.123 119.713 119.800 0.060 0.000 2.245 774 Q HA -0.003 4.336 4.340 -0.001 0.000 0.201 774 Q C 2.219 178.254 176.000 0.059 0.000 0.955 774 Q CA 1.106 56.950 55.803 0.068 0.000 0.870 774 Q CB -0.934 27.835 28.738 0.051 0.000 0.945 774 Q HN 0.436 nan 8.270 nan 0.000 0.461 775 V N 2.672 122.609 119.914 0.037 0.000 2.233 775 V HA -0.192 3.928 4.120 -0.001 0.000 0.247 775 V C -0.563 175.554 176.094 0.039 0.000 1.050 775 V CA 2.332 64.647 62.300 0.023 0.000 1.010 775 V CB -1.669 30.160 31.823 0.012 0.000 0.637 775 V HN 0.278 nan 8.190 nan 0.000 0.444 776 P HA -0.134 nan 4.420 nan 0.000 0.223 776 P C 1.137 178.487 177.300 0.083 0.000 1.151 776 P CA 1.466 64.594 63.100 0.047 0.000 0.787 776 P CB -0.194 31.522 31.700 0.027 0.000 0.788 777 N N -0.398 118.376 118.700 0.123 0.000 2.171 777 N HA -0.064 4.675 4.740 -0.001 0.000 0.184 777 N C 1.879 177.557 175.510 0.279 0.000 1.021 777 N CA 0.196 53.394 53.050 0.247 0.000 0.854 777 N CB -0.328 38.334 38.487 0.292 0.000 0.994 777 N HN 0.012 nan 8.380 nan 0.000 0.426 778 L N 2.036 123.356 121.223 0.162 0.000 2.056 778 L HA -0.128 4.211 4.340 -0.001 0.000 0.207 778 L C 2.333 179.252 176.870 0.082 0.000 1.078 778 L CA 1.780 56.689 54.840 0.114 0.000 0.749 778 L CB -0.946 41.138 42.059 0.041 0.000 0.901 778 L HN 0.253 nan 8.230 nan 0.000 0.433 779 E N -0.228 120.010 120.200 0.063 0.000 2.070 779 E HA -0.331 4.018 4.350 -0.001 0.000 0.197 779 E C 2.165 178.782 176.600 0.028 0.000 1.004 779 E CA 1.970 58.391 56.400 0.036 0.000 0.805 779 E CB -0.644 29.080 29.700 0.040 0.000 0.744 779 E HN 0.614 nan 8.360 nan 0.000 0.451 780 Y N 0.655 120.904 120.300 -0.085 0.000 2.163 780 Y HA -0.100 4.450 4.550 -0.001 0.000 0.288 780 Y C 2.311 178.105 175.900 -0.177 0.000 1.136 780 Y CA 2.113 60.102 58.100 -0.185 0.000 1.147 780 Y CB -0.635 37.608 38.460 -0.362 0.000 0.987 780 Y HN 0.108 nan 8.280 nan 0.000 0.509 781 A N 0.632 123.443 122.820 -0.016 0.000 1.940 781 A HA -0.154 4.166 4.320 -0.001 0.000 0.219 781 A C 2.397 179.951 177.584 -0.051 0.000 1.176 781 A CA 1.838 53.918 52.037 0.072 0.000 0.631 781 A CB -1.526 17.695 19.000 0.368 0.000 0.814 781 A HN 0.618 nan 8.150 nan 0.000 0.446 782 A N -0.195 122.600 122.820 -0.042 0.000 2.024 782 A HA -0.184 4.135 4.320 -0.001 0.000 0.220 782 A C 2.104 179.631 177.584 -0.094 0.000 1.164 782 A CA 1.645 53.654 52.037 -0.047 0.000 0.643 782 A CB -0.395 18.588 19.000 -0.027 0.000 0.806 782 A HN 0.564 nan 8.150 nan 0.000 0.451 783 R N -0.879 119.515 120.500 -0.176 0.000 2.310 783 R HA 0.312 4.651 4.340 -0.001 0.000 0.202 783 R C -0.358 175.811 176.300 -0.217 0.000 0.933 783 R CA -0.056 55.927 56.100 -0.195 0.000 1.054 783 R CB -0.017 30.139 30.300 -0.240 0.000 0.985 783 R HN 0.451 nan 8.270 nan 0.000 0.489 784 I N 2.426 122.871 120.570 -0.209 0.000 2.342 784 I HA 0.181 4.351 4.170 -0.001 0.000 0.291 784 I C -2.031 174.035 176.117 -0.084 0.000 1.010 784 I CA -2.466 58.741 61.300 -0.155 0.000 1.308 784 I CB 1.175 39.108 38.000 -0.112 0.000 1.400 784 I HN -0.262 nan 8.210 nan 0.000 0.488 785 P HA -0.044 nan 4.420 nan 0.000 0.261 785 P C -0.582 176.686 177.300 -0.052 0.000 1.173 785 P CA -0.037 63.034 63.100 -0.049 0.000 0.760 785 P CB 0.280 31.959 31.700 -0.035 0.000 0.783 786 V N 5.423 125.309 119.914 -0.046 0.000 2.508 786 V HA 0.040 4.159 4.120 -0.001 0.000 0.281 786 V C 1.000 177.049 176.094 -0.076 0.000 1.041 786 V CA 0.042 62.314 62.300 -0.047 0.000 1.016 786 V CB 0.359 32.171 31.823 -0.018 0.000 0.984 786 V HN 0.389 nan 8.190 nan 0.000 0.478 787 K N 3.735 124.037 120.400 -0.162 0.000 2.307 787 K HA 0.133 4.452 4.320 -0.001 0.000 0.240 787 K C 1.365 177.871 176.600 -0.155 0.000 1.214 787 K CA 0.123 56.273 56.287 -0.228 0.000 1.149 787 K CB 0.125 32.343 32.500 -0.470 0.000 1.668 787 K HN 0.849 nan 8.250 nan 0.000 0.314 788 S N -0.771 114.899 115.700 -0.050 0.000 2.481 788 S HA -0.059 4.411 4.470 -0.001 0.000 0.231 788 S C 1.401 176.003 174.600 0.003 0.000 0.996 788 S CA 0.418 58.623 58.200 0.007 0.000 0.942 788 S CB 0.117 63.320 63.200 0.004 0.000 0.768 788 S HN 0.332 nan 8.310 nan 0.000 0.520 789 E N 0.722 120.908 120.200 -0.023 0.000 2.479 789 E HA 0.238 4.587 4.350 -0.001 0.000 0.193 789 E C 1.452 178.046 176.600 -0.011 0.000 1.049 789 E CA -0.003 56.392 56.400 -0.008 0.000 0.870 789 E CB 0.049 29.748 29.700 -0.003 0.000 0.944 789 E HN 0.394 nan 8.360 nan 0.000 0.492 790 V N -0.082 119.803 119.914 -0.048 0.000 2.346 790 V HA 0.010 4.129 4.120 -0.001 0.000 0.244 790 V C 1.073 177.178 176.094 0.019 0.000 1.037 790 V CA 1.040 63.307 62.300 -0.056 0.000 1.029 790 V CB -0.087 31.596 31.823 -0.233 0.000 0.663 790 V HN 0.132 nan 8.190 nan 0.000 0.454 791 L N -0.740 120.529 121.223 0.076 0.000 2.303 791 L HA 0.476 4.815 4.340 -0.001 0.000 0.266 791 L C -2.553 174.359 176.870 0.069 0.000 1.011 791 L CA -2.031 52.866 54.840 0.094 0.000 0.818 791 L CB 1.433 43.588 42.059 0.160 0.000 1.326 791 L HN -0.012 nan 8.230 nan 0.000 0.435 792 P HA 0.042 nan 4.420 nan 0.000 0.262 792 P C 0.097 177.409 177.300 0.020 0.000 1.182 792 P CA 0.084 63.201 63.100 0.028 0.000 0.761 792 P CB 0.563 32.276 31.700 0.022 0.000 0.795 793 R N 3.325 123.827 120.500 0.002 0.000 2.105 793 R HA -0.173 4.166 4.340 -0.001 0.000 0.239 793 R C 0.810 177.077 176.300 -0.055 0.000 1.135 793 R CA 1.949 58.032 56.100 -0.028 0.000 0.967 793 R CB -0.169 30.099 30.300 -0.054 0.000 0.861 793 R HN 0.540 nan 8.270 nan 0.000 0.442 794 D N -0.254 120.118 120.400 -0.045 0.000 2.358 794 D HA -0.015 4.625 4.640 -0.001 0.000 0.224 794 D C -0.251 176.048 176.300 -0.003 0.000 1.123 794 D CA -0.205 53.767 54.000 -0.046 0.000 0.833 794 D CB 0.169 40.944 40.800 -0.042 0.000 0.946 794 D HN 0.130 nan 8.370 nan 0.000 0.505 795 S N -0.828 114.874 115.700 0.004 0.000 2.616 795 S HA 0.292 4.761 4.470 -0.001 0.000 0.277 795 S C 1.287 175.892 174.600 0.009 0.000 1.234 795 S CA -0.943 57.258 58.200 0.003 0.000 1.028 795 S CB 1.990 65.189 63.200 -0.002 0.000 0.988 795 S HN 0.154 nan 8.310 nan 0.000 0.522 796 L N 1.396 122.604 121.223 -0.025 0.000 1.951 796 L HA -0.217 4.123 4.340 -0.001 0.000 0.222 796 L C 2.781 179.623 176.870 -0.047 0.000 1.078 796 L CA 2.181 56.979 54.840 -0.069 0.000 0.778 796 L CB -0.493 41.447 42.059 -0.198 0.000 0.893 796 L HN 0.991 nan 8.230 nan 0.000 0.436 797 K N -0.731 119.599 120.400 -0.116 0.000 2.032 797 K HA -0.177 4.143 4.320 -0.001 0.000 0.209 797 K C 1.851 178.265 176.600 -0.311 0.000 1.048 797 K CA 1.559 57.712 56.287 -0.224 0.000 0.927 797 K CB -0.470 31.909 32.500 -0.201 0.000 0.712 797 K HN 0.547 nan 8.250 nan 0.000 0.441 798 G N 0.235 108.964 108.800 -0.119 0.000 2.448 798 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.219 798 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.219 798 G C 1.483 176.375 174.900 -0.012 0.000 1.127 798 G CA 1.143 46.237 45.100 -0.009 0.000 0.766 798 G HN 0.515 nan 8.290 nan 0.000 0.552 799 S N 0.013 115.697 115.700 -0.027 0.000 2.402 799 S HA -0.080 4.390 4.470 -0.001 0.000 0.229 799 S C 1.952 176.519 174.600 -0.055 0.000 1.021 799 S CA 1.108 59.292 58.200 -0.027 0.000 0.974 799 S CB -0.151 63.063 63.200 0.024 0.000 0.800 799 S HN 0.284 nan 8.310 nan 0.000 0.484 800 Q N 0.112 119.850 119.800 -0.104 0.000 2.482 800 Q HA 0.302 4.642 4.340 -0.001 0.000 0.209 800 Q C 0.526 176.497 176.000 -0.047 0.000 0.961 800 Q CA 0.363 56.091 55.803 -0.125 0.000 0.945 800 Q CB -0.552 28.091 28.738 -0.157 0.000 1.012 800 Q HN 0.790 nan 8.270 nan 0.000 0.515 801 F N 0.201 120.143 119.950 -0.013 0.000 2.639 801 F HA 0.147 4.673 4.527 -0.001 0.000 0.302 801 F C 0.771 176.542 175.800 -0.049 0.000 1.097 801 F CA -0.583 57.399 58.000 -0.031 0.000 1.294 801 F CB 0.884 39.865 39.000 -0.032 0.000 1.027 801 F HN -0.069 nan 8.300 nan 0.000 0.550 802 Q N 0.792 120.654 119.800 0.103 0.000 2.204 802 Q HA 0.258 4.597 4.340 -0.001 0.000 0.254 802 Q C -0.358 175.636 176.000 -0.010 0.000 0.981 802 Q CA -0.483 55.332 55.803 0.020 0.000 0.897 802 Q CB 1.303 30.020 28.738 -0.035 0.000 1.273 802 Q HN 0.292 nan 8.270 nan 0.000 0.464 803 E N 3.079 123.261 120.200 -0.029 0.000 2.257 803 E HA 0.172 4.522 4.350 -0.001 0.000 0.278 803 E C -2.078 174.475 176.600 -0.079 0.000 1.049 803 E CA -1.557 54.815 56.400 -0.047 0.000 0.876 803 E CB 0.621 30.296 29.700 -0.041 0.000 1.035 803 E HN 0.183 nan 8.360 nan 0.000 0.419 804 P HA 0.060 nan 4.420 nan 0.000 0.281 804 P C -0.120 177.089 177.300 -0.151 0.000 1.252 804 P CA 0.047 63.058 63.100 -0.148 0.000 0.778 804 P CB 0.771 32.360 31.700 -0.186 0.000 0.895 805 L N 3.023 124.174 121.223 -0.120 0.000 2.791 805 L HA 0.357 4.696 4.340 -0.001 0.000 0.239 805 L C 0.791 177.590 176.870 -0.119 0.000 1.203 805 L CA 0.282 55.075 54.840 -0.078 0.000 1.002 805 L CB -0.027 42.036 42.059 0.007 0.000 1.295 805 L HN 0.379 nan 8.230 nan 0.000 0.504 806 M N 1.480 120.920 119.600 -0.267 0.000 2.213 806 M HA 0.379 4.858 4.480 -0.001 0.000 0.243 806 M C -1.631 174.390 176.300 -0.465 0.000 0.979 806 M CA 0.146 55.173 55.300 -0.454 0.000 1.037 806 M CB 1.580 33.822 32.600 -0.598 0.000 2.200 806 M HN 0.115 nan 8.290 nan 0.000 0.465 807 E N 3.685 123.564 120.200 -0.535 0.000 2.369 807 E HA 0.584 4.933 4.350 -0.001 0.000 0.270 807 E C -0.754 175.463 176.600 -0.638 0.000 0.909 807 E CA -0.937 54.967 56.400 -0.826 0.000 0.775 807 E CB 1.762 30.540 29.700 -1.536 0.000 1.270 807 E HN 0.635 nan 8.360 nan 0.000 0.445 808 F N 0.183 120.112 119.950 -0.035 0.000 3.004 808 F HA -0.273 4.254 4.527 -0.001 0.000 0.264 808 F C 0.819 176.676 175.800 0.096 0.000 0.979 808 F CA 0.137 58.181 58.000 0.074 0.000 0.896 808 F CB -1.775 37.244 39.000 0.032 0.000 0.813 808 F HN 0.362 nan 8.300 nan 0.000 0.804 809 S N 0.547 116.313 115.700 0.110 0.000 2.634 809 S HA 0.547 5.016 4.470 -0.001 0.000 0.261 809 S C 1.282 176.017 174.600 0.224 0.000 1.271 809 S CA -0.186 58.070 58.200 0.095 0.000 0.985 809 S CB 1.708 64.852 63.200 -0.092 0.000 0.968 809 S HN 0.481 nan 8.310 nan 0.000 0.568 810 G N -0.389 108.562 108.800 0.251 0.000 3.262 810 G HA2 0.476 4.436 3.960 -0.001 0.000 0.228 810 G HA3 0.476 4.436 3.960 -0.001 0.000 0.228 810 G C 0.477 175.537 174.900 0.267 0.000 1.197 810 G CA 0.028 45.284 45.100 0.261 0.000 0.819 810 G HN 1.104 nan 8.290 nan 0.000 0.531 811 A N -0.474 122.455 122.820 0.181 0.000 2.448 811 A HA 0.416 4.735 4.320 -0.001 0.000 0.239 811 A C 0.922 178.621 177.584 0.192 0.000 1.080 811 A CA -0.273 51.801 52.037 0.061 0.000 0.779 811 A CB 0.025 18.733 19.000 -0.485 0.000 1.026 811 A HN 0.367 nan 8.150 nan 0.000 0.499 812 C N 0.491 119.872 119.300 0.135 0.000 2.727 812 C HA 0.330 4.790 4.460 -0.001 0.000 0.401 812 C C 1.564 176.659 174.990 0.175 0.000 1.294 812 C CA -0.143 58.953 59.018 0.130 0.000 2.134 812 C CB -0.165 27.626 27.740 0.085 0.000 2.724 812 C HN 0.911 nan 8.230 nan 0.000 0.677 813 S N 0.772 116.530 115.700 0.097 0.000 2.537 813 S HA 0.389 4.859 4.470 -0.001 0.000 0.286 813 S C 1.223 175.870 174.600 0.079 0.000 1.299 813 S CA 0.860 59.096 58.200 0.061 0.000 1.067 813 S CB -0.258 62.942 63.200 -0.001 0.000 0.864 813 S HN 1.940 nan 8.310 nan 0.000 0.494 814 G N 3.068 111.926 108.800 0.097 0.000 2.155 814 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.257 814 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.257 814 G C 0.612 175.526 174.900 0.024 0.000 0.983 814 G CA 0.060 45.191 45.100 0.052 0.000 0.676 814 G HN 1.192 nan 8.290 nan 0.000 0.528 815 C N 1.095 120.403 119.300 0.013 0.000 2.465 815 C HA 0.448 4.907 4.460 -0.001 0.000 0.402 815 C C 2.203 177.161 174.990 -0.052 0.000 1.448 815 C CA 1.089 60.084 59.018 -0.038 0.000 1.589 815 C CB -0.120 27.538 27.740 -0.137 0.000 2.535 815 C HN 1.074 nan 8.230 nan 0.000 0.600 816 G N 3.429 112.226 108.800 -0.005 0.000 2.920 816 G HA2 0.012 3.971 3.960 -0.001 0.000 0.208 816 G HA3 0.012 3.971 3.960 -0.001 0.000 0.208 816 G C 1.258 176.238 174.900 0.135 0.000 1.159 816 G CA 0.389 45.511 45.100 0.038 0.000 0.784 816 G HN 0.922 nan 8.290 nan 0.000 0.535 817 E N 0.330 120.587 120.200 0.095 0.000 2.127 817 E HA -0.069 4.280 4.350 -0.001 0.000 0.191 817 E C 2.751 179.438 176.600 0.145 0.000 0.964 817 E CA 1.159 57.692 56.400 0.221 0.000 0.832 817 E CB -0.259 29.635 29.700 0.323 0.000 0.790 817 E HN 0.443 nan 8.360 nan 0.000 0.465 818 T N 0.027 114.440 114.554 -0.234 0.000 2.833 818 T HA -0.084 4.266 4.350 -0.001 0.000 0.269 818 T C -1.094 173.438 174.700 -0.280 0.000 1.054 818 T CA 0.695 62.509 62.100 -0.477 0.000 1.135 818 T CB -1.340 66.968 68.868 -0.934 0.000 0.869 818 T HN -0.023 nan 8.240 nan 0.000 0.466 819 P HA -0.032 nan 4.420 nan 0.000 0.216 819 P C 0.883 178.033 177.300 -0.251 0.000 1.153 819 P CA 0.999 63.934 63.100 -0.276 0.000 0.848 819 P CB -0.238 31.266 31.700 -0.326 0.000 0.787 820 Y N -0.950 119.269 120.300 -0.136 0.000 2.145 820 Y HA -0.173 4.377 4.550 -0.001 0.000 0.286 820 Y C 2.393 178.228 175.900 -0.108 0.000 1.145 820 Y CA 0.903 58.940 58.100 -0.106 0.000 1.148 820 Y CB -1.429 37.066 38.460 0.058 0.000 0.981 820 Y HN -0.256 nan 8.280 nan 0.000 0.507 821 V N 0.225 120.179 119.914 0.066 0.000 2.343 821 V HA -0.304 3.815 4.120 -0.001 0.000 0.247 821 V C 2.420 178.499 176.094 -0.026 0.000 1.051 821 V CA 2.094 64.396 62.300 0.003 0.000 1.036 821 V CB -0.639 31.328 31.823 0.240 0.000 0.654 821 V HN 0.321 nan 8.190 nan 0.000 0.451 822 R N 0.003 120.430 120.500 -0.121 0.000 2.083 822 R HA -0.164 4.175 4.340 -0.001 0.000 0.237 822 R C 2.188 178.370 176.300 -0.196 0.000 1.137 822 R CA 2.018 58.005 56.100 -0.188 0.000 0.951 822 R CB -0.410 29.735 30.300 -0.259 0.000 0.851 822 R HN 0.378 nan 8.270 nan 0.000 0.434 823 V N 1.198 120.976 119.914 -0.226 0.000 2.343 823 V HA -0.246 3.874 4.120 -0.001 0.000 0.247 823 V C 2.365 178.324 176.094 -0.225 0.000 1.051 823 V CA 1.894 64.021 62.300 -0.289 0.000 1.036 823 V CB -0.384 31.230 31.823 -0.349 0.000 0.654 823 V HN 0.357 nan 8.190 nan 0.000 0.451 824 I N 1.137 121.612 120.570 -0.158 0.000 2.194 824 I HA -0.302 3.867 4.170 -0.001 0.000 0.246 824 I C 2.766 178.792 176.117 -0.152 0.000 1.093 824 I CA 2.207 63.384 61.300 -0.206 0.000 1.355 824 I CB -0.750 37.050 38.000 -0.334 0.000 1.046 824 I HN 0.555 nan 8.210 nan 0.000 0.413 825 T N -1.726 112.778 114.554 -0.083 0.000 2.867 825 T HA -0.222 4.127 4.350 -0.001 0.000 0.268 825 T C 1.727 176.360 174.700 -0.113 0.000 1.057 825 T CA 1.073 63.151 62.100 -0.037 0.000 1.136 825 T CB -0.428 68.451 68.868 0.018 0.000 0.874 825 T HN 0.420 nan 8.240 nan 0.000 0.466 826 Q N 0.055 119.751 119.800 -0.173 0.000 2.291 826 Q HA 0.081 4.421 4.340 -0.001 0.000 0.206 826 Q C 1.883 177.726 176.000 -0.261 0.000 0.976 826 Q CA 0.857 56.548 55.803 -0.187 0.000 0.875 826 Q CB -0.184 28.436 28.738 -0.196 0.000 0.927 826 Q HN 0.404 nan 8.270 nan 0.000 0.450 827 L N -2.173 118.793 121.223 -0.428 0.000 2.316 827 L HA 0.072 4.412 4.340 -0.001 0.000 0.207 827 L C 0.875 177.178 176.870 -0.946 0.000 1.070 827 L CA 1.368 55.725 54.840 -0.805 0.000 0.820 827 L CB 0.385 41.690 42.059 -1.256 0.000 0.992 827 L HN 0.139 nan 8.230 nan 0.000 0.466 828 F N -2.909 117.019 119.950 -0.036 0.000 2.871 828 F HA 0.336 4.862 4.527 -0.001 0.000 0.344 828 F C 2.087 177.887 175.800 0.001 0.000 1.078 828 F CA 0.217 58.228 58.000 0.018 0.000 1.149 828 F CB -0.812 38.240 39.000 0.086 0.000 1.087 828 F HN -0.088 nan 8.300 nan 0.000 0.557 829 G N 1.820 110.671 108.800 0.086 0.000 2.663 829 G HA2 -0.395 3.564 3.960 -0.001 0.000 0.222 829 G HA3 -0.395 3.564 3.960 -0.001 0.000 0.222 829 G C 1.655 176.588 174.900 0.056 0.000 1.146 829 G CA 1.798 46.938 45.100 0.066 0.000 0.764 829 G HN 0.468 nan 8.290 nan 0.000 0.608 830 E N 1.473 121.701 120.200 0.046 0.000 2.401 830 E HA -0.189 4.160 4.350 -0.001 0.000 0.199 830 E C 1.836 178.454 176.600 0.029 0.000 1.023 830 E CA 1.223 57.641 56.400 0.030 0.000 0.859 830 E CB -0.226 29.490 29.700 0.028 0.000 0.780 830 E HN 0.738 nan 8.360 nan 0.000 0.523 831 R N 0.587 121.130 120.500 0.071 0.000 2.615 831 R HA 0.327 4.666 4.340 -0.001 0.000 0.448 831 R C 0.555 176.896 176.300 0.068 0.000 1.009 831 R CA -0.329 55.807 56.100 0.059 0.000 1.111 831 R CB -0.248 30.126 30.300 0.124 0.000 1.461 831 R HN 0.092 nan 8.270 nan 0.000 0.587 832 M N -0.624 118.997 119.600 0.036 0.000 2.537 832 M HA 0.572 5.051 4.480 -0.001 0.000 0.324 832 M C -1.485 174.753 176.300 -0.103 0.000 1.187 832 M CA -0.688 54.668 55.300 0.094 0.000 0.993 832 M CB 1.436 34.141 32.600 0.176 0.000 1.666 832 M HN -0.179 nan 8.290 nan 0.000 0.461 833 F N 1.830 121.804 119.950 0.039 0.000 2.469 833 F HA 0.653 5.180 4.527 -0.001 0.000 0.332 833 F C -0.410 175.308 175.800 -0.137 0.000 1.103 833 F CA -0.572 57.387 58.000 -0.068 0.000 0.979 833 F CB 1.852 40.793 39.000 -0.099 0.000 1.137 833 F HN 0.468 nan 8.300 nan 0.000 0.463 834 I N 2.993 123.487 120.570 -0.127 0.000 2.410 834 I HA 0.468 4.637 4.170 -0.001 0.000 0.286 834 I C -0.635 175.164 176.117 -0.530 0.000 1.009 834 I CA -0.781 60.260 61.300 -0.432 0.000 1.111 834 I CB 1.700 39.279 38.000 -0.701 0.000 1.262 834 I HN 0.660 nan 8.210 nan 0.000 0.443 835 A N 6.232 128.809 122.820 -0.405 0.000 2.341 835 A HA 0.387 4.706 4.320 -0.001 0.000 0.326 835 A C -0.414 176.954 177.584 -0.360 0.000 1.402 835 A CA -0.512 51.347 52.037 -0.297 0.000 0.957 835 A CB 0.088 18.984 19.000 -0.172 0.000 1.151 835 A HN 0.704 nan 8.150 nan 0.000 0.533 836 N N 2.070 120.416 118.700 -0.590 0.000 2.426 836 N HA 0.483 5.222 4.740 -0.001 0.000 0.275 836 N C 0.045 175.346 175.510 -0.348 0.000 1.019 836 N CA 0.053 52.806 53.050 -0.494 0.000 0.941 836 N CB 1.701 39.753 38.487 -0.726 0.000 1.123 836 N HN 0.676 nan 8.380 nan 0.000 0.486 837 A N 2.655 125.274 122.820 -0.336 0.000 2.407 837 A HA 0.250 4.569 4.320 -0.001 0.000 0.248 837 A C 0.433 178.011 177.584 -0.011 0.000 1.082 837 A CA -0.100 51.773 52.037 -0.273 0.000 0.785 837 A CB 0.018 18.649 19.000 -0.614 0.000 1.020 837 A HN 0.633 nan 8.150 nan 0.000 0.489 838 T N 1.370 116.002 114.554 0.130 0.000 2.928 838 T HA 0.493 4.843 4.350 -0.001 0.000 0.305 838 T C 0.756 175.449 174.700 -0.012 0.000 1.035 838 T CA 1.125 63.258 62.100 0.055 0.000 1.145 838 T CB 0.418 69.310 68.868 0.039 0.000 0.963 838 T HN 1.652 nan 8.240 nan 0.000 0.545 839 G N 0.551 109.313 108.800 -0.063 0.000 2.333 839 G HA2 0.112 4.071 3.960 -0.001 0.000 0.288 839 G HA3 0.112 4.071 3.960 -0.001 0.000 0.288 839 G C 0.832 175.710 174.900 -0.037 0.000 1.286 839 G CA -0.220 44.847 45.100 -0.055 0.000 0.865 839 G HN 0.641 nan 8.290 nan 0.000 0.506 840 C N 0.557 119.871 119.300 0.023 0.000 2.413 840 C HA -0.028 4.432 4.460 -0.001 0.000 0.276 840 C C 3.392 178.212 174.990 -0.284 0.000 1.248 840 C CA 2.685 61.736 59.018 0.053 0.000 1.742 840 C CB -1.261 26.618 27.740 0.233 0.000 2.017 840 C HN 0.992 nan 8.230 nan 0.000 0.481 841 S N 0.823 116.315 115.700 -0.347 0.000 2.447 841 S HA -0.127 4.342 4.470 -0.001 0.000 0.233 841 S C 1.693 175.849 174.600 -0.741 0.000 1.006 841 S CA 1.607 59.224 58.200 -0.971 0.000 0.957 841 S CB -0.555 62.541 63.200 -0.173 0.000 0.773 841 S HN 0.792 nan 8.310 nan 0.000 0.507 842 S N 1.252 116.820 115.700 -0.220 0.000 2.439 842 S HA 0.183 4.653 4.470 -0.001 0.000 0.224 842 S C 1.768 176.345 174.600 -0.037 0.000 1.029 842 S CA 0.099 58.365 58.200 0.111 0.000 0.946 842 S CB -0.445 62.848 63.200 0.155 0.000 0.797 842 S HN 0.366 nan 8.310 nan 0.000 0.504 843 I N 2.333 122.833 120.570 -0.116 0.000 2.233 843 I HA -0.003 4.167 4.170 -0.001 0.000 0.243 843 I C 2.618 178.760 176.117 0.042 0.000 1.093 843 I CA 0.856 62.139 61.300 -0.028 0.000 1.380 843 I CB -1.692 36.317 38.000 0.015 0.000 1.067 843 I HN 0.667 nan 8.210 nan 0.000 0.413 844 W N 1.017 122.370 121.300 0.089 0.000 2.584 844 W HA 0.172 4.831 4.660 -0.001 0.000 0.264 844 W C 1.855 178.390 176.519 0.028 0.000 1.264 844 W CA 0.664 58.044 57.345 0.058 0.000 1.306 844 W CB -1.348 28.143 29.460 0.051 0.000 1.110 844 W HN 0.104 nan 8.180 nan 0.000 0.606 845 G N 1.321 110.021 108.800 -0.167 0.000 2.421 845 G HA2 0.122 4.081 3.960 -0.001 0.000 0.217 845 G HA3 0.122 4.081 3.960 -0.001 0.000 0.217 845 G C 1.010 175.691 174.900 -0.365 0.000 1.143 845 G CA 1.246 46.230 45.100 -0.193 0.000 0.784 845 G HN 0.354 nan 8.290 nan 0.000 0.541 846 A N -0.287 122.345 122.820 -0.314 0.000 3.214 846 A HA 0.573 4.892 4.320 -0.001 0.000 0.203 846 A C 0.059 177.545 177.584 -0.164 0.000 0.960 846 A CA -0.285 51.549 52.037 -0.339 0.000 1.113 846 A CB 0.044 18.636 19.000 -0.680 0.000 1.280 846 A HN 0.037 nan 8.150 nan 0.000 0.573 847 S N 1.896 117.552 115.700 -0.073 0.000 2.405 847 S HA 0.511 4.980 4.470 -0.001 0.000 0.291 847 S C 0.865 175.413 174.600 -0.087 0.000 1.137 847 S CA 0.189 58.363 58.200 -0.044 0.000 1.061 847 S CB 0.657 63.876 63.200 0.032 0.000 1.001 847 S HN 1.148 nan 8.310 nan 0.000 0.507 848 A N 5.412 128.111 122.820 -0.202 0.000 2.561 848 A HA 0.270 4.589 4.320 -0.001 0.000 0.234 848 A C -0.980 176.572 177.584 -0.053 0.000 1.055 848 A CA -0.700 51.148 52.037 -0.314 0.000 0.756 848 A CB -0.087 18.616 19.000 -0.495 0.000 0.986 848 A HN 0.621 nan 8.150 nan 0.000 0.505 849 P HA 0.109 nan 4.420 nan 0.000 0.266 849 P C 0.067 177.487 177.300 0.201 0.000 1.381 849 P CA 0.048 63.237 63.100 0.148 0.000 0.940 849 P CB 0.277 32.156 31.700 0.298 0.000 1.435 850 S N 1.325 117.103 115.700 0.130 0.000 2.439 850 S HA 0.480 4.949 4.470 -0.001 0.000 0.282 850 S C 0.067 174.749 174.600 0.136 0.000 1.170 850 S CA -0.447 57.865 58.200 0.187 0.000 1.054 850 S CB -0.278 63.032 63.200 0.184 0.000 0.956 850 S HN -0.091 nan 8.310 nan 0.000 0.490 851 M N 8.162 127.876 119.600 0.190 0.000 2.023 851 M HA 0.319 4.799 4.480 -0.001 0.000 0.325 851 M C -1.918 174.451 176.300 0.116 0.000 0.963 851 M CA -2.571 52.804 55.300 0.125 0.000 0.928 851 M CB 1.306 34.009 32.600 0.171 0.000 1.429 851 M HN 0.410 nan 8.290 nan 0.000 0.404 852 P HA -0.092 nan 4.420 nan 0.000 0.220 852 P C 0.054 177.269 177.300 -0.142 0.000 1.152 852 P CA 1.043 64.114 63.100 -0.049 0.000 0.812 852 P CB 0.122 31.782 31.700 -0.065 0.000 0.792 853 Y N 2.037 122.300 120.300 -0.063 0.000 2.497 853 Y HA 0.097 4.646 4.550 -0.001 0.000 0.334 853 Y C 1.614 177.491 175.900 -0.039 0.000 1.199 853 Y CA 0.469 58.538 58.100 -0.052 0.000 1.425 853 Y CB 0.373 38.789 38.460 -0.074 0.000 1.291 853 Y HN 0.056 nan 8.280 nan 0.000 0.562 854 K N -0.769 119.684 120.400 0.089 0.000 2.430 854 K HA 0.715 5.034 4.320 -0.001 0.000 0.268 854 K C -1.065 175.559 176.600 0.040 0.000 1.043 854 K CA -1.113 55.201 56.287 0.044 0.000 0.899 854 K CB 1.416 33.901 32.500 -0.025 0.000 1.472 854 K HN 0.505 nan 8.250 nan 0.000 0.451 855 T N -1.083 113.485 114.554 0.024 0.000 2.934 855 T HA 0.310 4.660 4.350 -0.001 0.000 0.283 855 T C 0.158 174.857 174.700 -0.002 0.000 1.005 855 T CA -0.766 61.342 62.100 0.014 0.000 1.041 855 T CB 0.721 69.598 68.868 0.014 0.000 1.042 855 T HN 0.723 nan 8.240 nan 0.000 0.505 856 N N 0.609 119.306 118.700 -0.005 0.000 2.431 856 N HA 0.181 4.920 4.740 -0.001 0.000 0.289 856 N C 1.363 176.869 175.510 -0.008 0.000 1.277 856 N CA -1.002 52.041 53.050 -0.012 0.000 0.972 856 N CB 0.259 38.739 38.487 -0.011 0.000 1.143 856 N HN 0.844 nan 8.380 nan 0.000 0.578 857 R N -1.354 119.140 120.500 -0.010 0.000 2.193 857 R HA -0.012 4.327 4.340 -0.001 0.000 0.229 857 R C 0.467 176.765 176.300 -0.004 0.000 1.110 857 R CA 0.922 57.017 56.100 -0.007 0.000 0.988 857 R CB -0.476 29.818 30.300 -0.011 0.000 0.871 857 R HN 0.339 nan 8.270 nan 0.000 0.458 858 L N 0.578 121.799 121.223 -0.003 0.000 2.592 858 L HA 0.273 4.612 4.340 -0.001 0.000 0.227 858 L C 1.181 178.049 176.870 -0.003 0.000 1.127 858 L CA 1.205 56.044 54.840 -0.002 0.000 0.884 858 L CB -0.296 41.763 42.059 -0.000 0.000 1.065 858 L HN 0.639 nan 8.230 nan 0.000 0.457 859 G N -0.149 108.650 108.800 -0.002 0.000 2.157 859 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.248 859 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.248 859 G C 0.396 175.291 174.900 -0.008 0.000 0.979 859 G CA -0.024 45.074 45.100 -0.003 0.000 0.650 859 G HN 0.450 nan 8.290 nan 0.000 0.529 860 Q N -0.230 119.565 119.800 -0.008 0.000 2.235 860 Q HA 0.634 4.974 4.340 -0.001 0.000 0.250 860 Q C 0.470 176.466 176.000 -0.007 0.000 0.909 860 Q CA 0.095 55.889 55.803 -0.014 0.000 0.910 860 Q CB 1.980 30.713 28.738 -0.009 0.000 1.223 860 Q HN 0.808 nan 8.270 nan 0.000 0.432 861 G N 1.392 110.183 108.800 -0.015 0.000 2.559 861 G HA2 0.424 4.384 3.960 -0.001 0.000 0.291 861 G HA3 0.424 4.384 3.960 -0.001 0.000 0.291 861 G C -3.081 171.815 174.900 -0.008 0.000 1.424 861 G CA -1.118 43.988 45.100 0.011 0.000 0.786 861 G HN 0.293 nan 8.290 nan 0.000 0.485 862 P HA 0.391 nan 4.420 nan 0.000 0.263 862 P C -0.136 177.136 177.300 -0.047 0.000 1.195 862 P CA 0.206 63.304 63.100 -0.003 0.000 0.762 862 P CB 1.053 32.806 31.700 0.089 0.000 0.799 863 A N 4.083 126.813 122.820 -0.149 0.000 2.310 863 A HA 0.296 4.616 4.320 -0.001 0.000 0.300 863 A C -0.977 176.596 177.584 -0.018 0.000 1.269 863 A CA -0.394 51.576 52.037 -0.112 0.000 0.909 863 A CB -0.429 18.391 19.000 -0.300 0.000 1.144 863 A HN 0.640 nan 8.150 nan 0.000 0.540 864 W N 2.756 123.949 121.300 -0.178 0.000 2.478 864 W HA 0.592 5.252 4.660 -0.001 0.000 0.318 864 W C 0.201 176.669 176.519 -0.084 0.000 1.062 864 W CA 0.091 57.297 57.345 -0.233 0.000 1.210 864 W CB 1.894 31.083 29.460 -0.452 0.000 1.325 864 W HN 0.880 nan 8.180 nan 0.000 0.496 865 G N 3.727 112.286 108.800 -0.401 0.000 2.731 865 G HA2 0.279 4.239 3.960 -0.001 0.000 0.298 865 G HA3 0.279 4.239 3.960 -0.001 0.000 0.298 865 G C -2.164 172.408 174.900 -0.548 0.000 1.424 865 G CA -0.989 44.000 45.100 -0.185 0.000 1.029 865 G HN 0.449 nan 8.290 nan 0.000 0.518 866 N N 0.897 119.389 118.700 -0.347 0.000 2.446 866 N HA 0.489 5.229 4.740 -0.001 0.000 0.265 866 N C 0.702 176.029 175.510 -0.305 0.000 0.975 866 N CA -0.192 52.654 53.050 -0.340 0.000 0.928 866 N CB 2.277 40.711 38.487 -0.089 0.000 1.160 866 N HN 0.327 nan 8.380 nan 0.000 0.495 867 S N 3.381 118.744 115.700 -0.561 0.000 2.400 867 S HA 0.480 4.949 4.470 -0.001 0.000 0.170 867 S C 0.317 174.739 174.600 -0.297 0.000 0.917 867 S CA 0.208 57.995 58.200 -0.688 0.000 1.028 867 S CB -0.192 62.275 63.200 -1.222 0.000 0.810 867 S HN 0.485 nan 8.310 nan 0.000 0.504 868 L N -0.821 120.277 121.223 -0.209 0.000 2.171 868 L HA 0.506 4.846 4.340 -0.001 0.000 0.253 868 L C 0.520 177.454 176.870 0.107 0.000 1.054 868 L CA -0.677 54.146 54.840 -0.028 0.000 0.927 868 L CB 0.576 42.631 42.059 -0.008 0.000 1.513 868 L HN 0.403 nan 8.230 nan 0.000 0.471 869 F N 1.086 121.051 119.950 0.025 0.000 2.270 869 F HA -0.020 4.507 4.527 -0.001 0.000 0.295 869 F C 2.185 178.131 175.800 0.243 0.000 1.087 869 F CA 1.189 59.260 58.000 0.118 0.000 1.365 869 F CB -0.006 39.094 39.000 0.167 0.000 1.056 869 F HN 0.606 nan 8.300 nan 0.000 0.506 870 E N -0.040 120.226 120.200 0.110 0.000 2.442 870 E HA -0.084 4.265 4.350 -0.001 0.000 0.195 870 E C 0.310 176.986 176.600 0.127 0.000 1.030 870 E CA 1.051 57.461 56.400 0.016 0.000 0.869 870 E CB -0.605 29.075 29.700 -0.032 0.000 0.857 870 E HN 0.554 nan 8.360 nan 0.000 0.505 871 D N 0.168 120.646 120.400 0.130 0.000 2.479 871 D HA 0.255 4.895 4.640 -0.001 0.000 0.218 871 D C 1.408 177.811 176.300 0.171 0.000 1.177 871 D CA 0.338 54.416 54.000 0.131 0.000 0.830 871 D CB 0.409 41.236 40.800 0.046 0.000 1.014 871 D HN 0.096 nan 8.370 nan 0.000 0.503 872 A N 1.278 124.184 122.820 0.143 0.000 1.903 872 A HA -0.089 4.231 4.320 -0.001 0.000 0.219 872 A C 2.403 180.082 177.584 0.158 0.000 1.191 872 A CA 2.595 54.625 52.037 -0.011 0.000 0.638 872 A CB -0.981 17.654 19.000 -0.607 0.000 0.823 872 A HN 0.407 nan 8.150 nan 0.000 0.451 873 A N -0.330 122.719 122.820 0.381 0.000 1.858 873 A HA -0.165 4.155 4.320 -0.001 0.000 0.216 873 A C 1.870 179.599 177.584 0.242 0.000 1.190 873 A CA 1.950 54.197 52.037 0.350 0.000 0.617 873 A CB -0.641 18.600 19.000 0.401 0.000 0.827 873 A HN 0.565 nan 8.150 nan 0.000 0.443 874 E N -1.476 118.850 120.200 0.211 0.000 2.153 874 E HA -0.186 4.164 4.350 -0.001 0.000 0.194 874 E C 1.777 178.534 176.600 0.262 0.000 0.988 874 E CA 1.344 57.863 56.400 0.198 0.000 0.811 874 E CB -0.402 29.369 29.700 0.119 0.000 0.746 874 E HN 0.742 nan 8.360 nan 0.000 0.466 875 Y N 0.900 121.242 120.300 0.069 0.000 2.145 875 Y HA -0.084 4.466 4.550 -0.001 0.000 0.286 875 Y C 2.343 178.242 175.900 -0.000 0.000 1.145 875 Y CA 1.719 59.827 58.100 0.013 0.000 1.148 875 Y CB -0.783 37.652 38.460 -0.042 0.000 0.981 875 Y HN 0.038 nan 8.280 nan 0.000 0.507 876 G N -1.026 107.772 108.800 -0.003 0.000 2.422 876 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.218 876 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.218 876 G C 1.668 176.534 174.900 -0.056 0.000 1.140 876 G CA 0.671 45.700 45.100 -0.119 0.000 0.775 876 G HN 0.483 nan 8.290 nan 0.000 0.545 877 F N 2.431 122.336 119.950 -0.075 0.000 2.234 877 F HA 0.075 4.601 4.527 -0.001 0.000 0.299 877 F C 2.451 178.191 175.800 -0.099 0.000 1.087 877 F CA 1.319 59.277 58.000 -0.071 0.000 1.340 877 F CB -0.251 38.740 39.000 -0.016 0.000 1.031 877 F HN 0.102 nan 8.300 nan 0.000 0.500 878 G N 0.281 109.059 108.800 -0.037 0.000 2.402 878 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.216 878 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.216 878 G C 1.662 176.404 174.900 -0.263 0.000 1.162 878 G CA 0.887 45.910 45.100 -0.129 0.000 0.777 878 G HN 0.373 nan 8.290 nan 0.000 0.539 879 M N 0.747 120.139 119.600 -0.347 0.000 2.149 879 M HA -0.095 4.384 4.480 -0.001 0.000 0.261 879 M C 2.400 178.399 176.300 -0.501 0.000 1.064 879 M CA 1.339 56.342 55.300 -0.495 0.000 1.102 879 M CB -0.427 31.780 32.600 -0.655 0.000 1.369 879 M HN 0.330 nan 8.290 nan 0.000 0.408 880 N N 0.694 119.138 118.700 -0.426 0.000 2.244 880 N HA -0.136 4.603 4.740 -0.001 0.000 0.183 880 N C 1.645 176.957 175.510 -0.330 0.000 1.016 880 N CA 1.247 54.076 53.050 -0.368 0.000 0.866 880 N CB 0.011 38.293 38.487 -0.342 0.000 0.980 880 N HN 0.394 nan 8.380 nan 0.000 0.430 881 M N 0.053 119.405 119.600 -0.414 0.000 2.132 881 M HA -0.107 4.373 4.480 -0.001 0.000 0.263 881 M C 2.513 178.742 176.300 -0.117 0.000 1.065 881 M CA 1.081 56.202 55.300 -0.298 0.000 1.122 881 M CB -0.262 32.138 32.600 -0.334 0.000 1.365 881 M HN 0.125 nan 8.290 nan 0.000 0.411 882 S N 0.342 115.946 115.700 -0.161 0.000 2.359 882 S HA -0.162 4.308 4.470 -0.001 0.000 0.224 882 S C 1.968 176.524 174.600 -0.074 0.000 1.035 882 S CA 1.252 59.389 58.200 -0.107 0.000 1.018 882 S CB -0.010 63.101 63.200 -0.148 0.000 0.876 882 S HN 0.302 nan 8.310 nan 0.000 0.448 883 M N 0.173 119.695 119.600 -0.130 0.000 2.117 883 M HA -0.007 4.472 4.480 -0.001 0.000 0.262 883 M C 1.975 178.273 176.300 -0.003 0.000 1.065 883 M CA 1.280 56.541 55.300 -0.065 0.000 1.114 883 M CB -1.611 30.925 32.600 -0.105 0.000 1.361 883 M HN 0.512 nan 8.290 nan 0.000 0.408 884 F N 1.099 120.978 119.950 -0.118 0.000 2.075 884 F HA -0.177 4.350 4.527 -0.001 0.000 0.297 884 F C 2.367 178.144 175.800 -0.037 0.000 1.113 884 F CA 1.930 59.879 58.000 -0.084 0.000 1.218 884 F CB -0.386 38.535 39.000 -0.132 0.000 0.984 884 F HN 0.130 nan 8.300 nan 0.000 0.472 885 A N 0.610 123.480 122.820 0.082 0.000 1.877 885 A HA -0.176 4.144 4.320 -0.001 0.000 0.216 885 A C 2.306 179.883 177.584 -0.011 0.000 1.186 885 A CA 1.787 53.839 52.037 0.025 0.000 0.620 885 A CB -0.719 18.322 19.000 0.068 0.000 0.822 885 A HN 0.469 nan 8.150 nan 0.000 0.443 886 R N -0.809 119.700 120.500 0.015 0.000 2.092 886 R HA -0.012 4.327 4.340 -0.001 0.000 0.231 886 R C 2.305 178.630 176.300 0.041 0.000 1.119 886 R CA 1.297 57.428 56.100 0.052 0.000 0.970 886 R CB -0.239 30.082 30.300 0.034 0.000 0.864 886 R HN 0.452 nan 8.270 nan 0.000 0.440 887 R N -0.349 120.156 120.500 0.008 0.000 2.193 887 R HA 0.025 4.364 4.340 -0.001 0.000 0.213 887 R C 1.808 178.126 176.300 0.030 0.000 1.055 887 R CA 1.093 57.236 56.100 0.072 0.000 0.995 887 R CB 0.016 30.378 30.300 0.102 0.000 0.893 887 R HN 0.134 nan 8.270 nan 0.000 0.459 888 T N -0.439 114.022 114.554 -0.155 0.000 2.904 888 T HA -0.134 4.216 4.350 -0.001 0.000 0.267 888 T C 1.531 176.237 174.700 0.009 0.000 1.059 888 T CA 1.017 62.995 62.100 -0.203 0.000 1.137 888 T CB -0.163 68.438 68.868 -0.446 0.000 0.879 888 T HN 0.460 nan 8.240 nan 0.000 0.467 889 H N 0.176 119.203 119.070 -0.073 0.000 2.357 889 H HA -0.021 4.534 4.556 -0.001 0.000 0.301 889 H C 2.318 177.636 175.328 -0.017 0.000 1.082 889 H CA 0.860 56.885 56.048 -0.037 0.000 1.342 889 H CB -0.052 29.691 29.762 -0.032 0.000 1.389 889 H HN 0.163 nan 8.280 nan 0.000 0.511 890 L N 1.208 122.452 121.223 0.034 0.000 2.017 890 L HA -0.096 4.243 4.340 -0.001 0.000 0.208 890 L C 2.598 179.483 176.870 0.025 0.000 1.073 890 L CA 1.992 56.786 54.840 -0.077 0.000 0.745 890 L CB -1.152 40.842 42.059 -0.108 0.000 0.894 890 L HN 0.352 nan 8.230 nan 0.000 0.432 891 A N -0.722 122.229 122.820 0.218 0.000 1.917 891 A HA -0.321 3.998 4.320 -0.001 0.000 0.219 891 A C 2.222 179.893 177.584 0.145 0.000 1.182 891 A CA 2.101 54.327 52.037 0.314 0.000 0.633 891 A CB -1.160 17.965 19.000 0.208 0.000 0.819 891 A HN 0.699 nan 8.150 nan 0.000 0.448 892 D N -0.518 119.943 120.400 0.102 0.000 2.097 892 D HA -0.154 4.486 4.640 -0.001 0.000 0.195 892 D C 1.802 178.144 176.300 0.070 0.000 0.989 892 D CA 1.328 55.375 54.000 0.078 0.000 0.827 892 D CB -0.068 40.783 40.800 0.085 0.000 0.966 892 D HN 0.219 nan 8.370 nan 0.000 0.456 893 L N 1.355 122.619 121.223 0.067 0.000 2.046 893 L HA -0.102 4.237 4.340 -0.001 0.000 0.208 893 L C 2.809 179.675 176.870 -0.007 0.000 1.077 893 L CA 1.541 56.392 54.840 0.017 0.000 0.747 893 L CB -1.684 40.346 42.059 -0.048 0.000 0.896 893 L HN 0.052 nan 8.230 nan 0.000 0.432 894 A N -0.361 122.453 122.820 -0.010 0.000 1.865 894 A HA -0.186 4.134 4.320 -0.001 0.000 0.217 894 A C 2.517 180.114 177.584 0.023 0.000 1.191 894 A CA 2.139 54.173 52.037 -0.005 0.000 0.623 894 A CB -0.926 18.106 19.000 0.054 0.000 0.826 894 A HN 0.395 nan 8.150 nan 0.000 0.444 895 A N -0.456 122.391 122.820 0.044 0.000 1.940 895 A HA -0.217 4.103 4.320 -0.001 0.000 0.219 895 A C 2.129 179.722 177.584 0.015 0.000 1.176 895 A CA 2.251 54.305 52.037 0.028 0.000 0.631 895 A CB -0.496 18.522 19.000 0.029 0.000 0.814 895 A HN 0.583 nan 8.150 nan 0.000 0.446 896 K N -0.406 120.003 120.400 0.016 0.000 2.026 896 K HA -0.076 4.244 4.320 -0.001 0.000 0.208 896 K C 2.020 178.621 176.600 0.002 0.000 1.048 896 K CA 1.302 57.595 56.287 0.010 0.000 0.929 896 K CB -0.328 32.182 32.500 0.016 0.000 0.713 896 K HN 0.377 nan 8.250 nan 0.000 0.439 897 A N 0.659 123.476 122.820 -0.004 0.000 2.121 897 A HA -0.038 4.281 4.320 -0.001 0.000 0.218 897 A C 1.925 179.503 177.584 -0.008 0.000 1.154 897 A CA 0.825 52.855 52.037 -0.011 0.000 0.679 897 A CB -0.405 18.580 19.000 -0.024 0.000 0.795 897 A HN 0.320 nan 8.150 nan 0.000 0.458 898 L N -0.579 120.642 121.223 -0.004 0.000 2.217 898 L HA -0.040 4.299 4.340 -0.001 0.000 0.211 898 L C 0.877 177.745 176.870 -0.003 0.000 1.107 898 L CA 0.671 55.509 54.840 -0.004 0.000 0.783 898 L CB -0.113 41.946 42.059 -0.001 0.000 0.919 898 L HN 0.260 nan 8.230 nan 0.000 0.442 899 E N 0.753 120.952 120.200 -0.002 0.000 2.354 899 E HA 0.155 4.504 4.350 -0.001 0.000 0.252 899 E C -0.077 176.522 176.600 -0.002 0.000 1.330 899 E CA -0.015 56.384 56.400 -0.001 0.000 1.658 899 E CB 0.241 29.941 29.700 0.000 0.000 1.460 899 E HN 0.344 nan 8.360 nan 0.000 0.435 900 S N -0.545 115.153 115.700 -0.003 0.000 2.776 900 S HA 0.256 4.725 4.470 -0.001 0.000 0.292 900 S C -0.037 174.561 174.600 -0.003 0.000 1.187 900 S CA -0.840 57.358 58.200 -0.003 0.000 0.834 900 S CB 1.198 64.395 63.200 -0.004 0.000 1.199 900 S HN -0.017 nan 8.310 nan 0.000 0.514 901 D N 0.595 120.993 120.400 -0.003 0.000 2.400 901 D HA 0.356 4.996 4.640 -0.001 0.000 0.243 901 D C 0.740 177.037 176.300 -0.004 0.000 1.184 901 D CA -0.082 53.916 54.000 -0.003 0.000 0.853 901 D CB -0.783 40.016 40.800 -0.002 0.000 0.944 901 D HN 0.796 nan 8.370 nan 0.000 0.501 902 A N 0.731 123.548 122.820 -0.005 0.000 2.483 902 A HA 0.392 4.712 4.320 -0.001 0.000 0.238 902 A C 0.938 178.520 177.584 -0.004 0.000 1.070 902 A CA -0.157 51.876 52.037 -0.007 0.000 0.770 902 A CB 0.116 19.110 19.000 -0.011 0.000 1.008 902 A HN 0.427 nan 8.150 nan 0.000 0.497 903 S N 1.539 117.237 115.700 -0.003 0.000 2.569 903 S HA 0.281 4.750 4.470 -0.001 0.000 0.274 903 S C 1.424 176.026 174.600 0.003 0.000 1.353 903 S CA -0.072 58.129 58.200 0.001 0.000 1.023 903 S CB 0.651 63.852 63.200 0.002 0.000 0.876 903 S HN 1.498 nan 8.310 nan 0.000 0.540 904 G N 1.123 109.926 108.800 0.006 0.000 2.442 904 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.219 904 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.219 904 G C 0.948 175.858 174.900 0.016 0.000 1.141 904 G CA 0.981 46.086 45.100 0.010 0.000 0.763 904 G HN 0.780 nan 8.290 nan 0.000 0.554 905 D N 0.195 120.605 120.400 0.016 0.000 2.084 905 D HA -0.084 4.555 4.640 -0.001 0.000 0.196 905 D C 2.830 179.146 176.300 0.025 0.000 0.985 905 D CA 0.871 54.886 54.000 0.024 0.000 0.826 905 D CB -0.708 40.103 40.800 0.019 0.000 0.978 905 D HN 0.170 nan 8.370 nan 0.000 0.456 906 V N 1.202 121.123 119.914 0.011 0.000 2.282 906 V HA -0.280 3.839 4.120 -0.001 0.000 0.249 906 V C 2.330 178.424 176.094 0.001 0.000 1.057 906 V CA 1.769 64.069 62.300 0.000 0.000 1.032 906 V CB -0.404 31.413 31.823 -0.011 0.000 0.645 906 V HN 0.197 nan 8.190 nan 0.000 0.447 907 K N -0.539 119.863 120.400 0.003 0.000 2.097 907 K HA -0.198 4.121 4.320 -0.001 0.000 0.206 907 K C 2.216 178.819 176.600 0.006 0.000 1.049 907 K CA 1.544 57.831 56.287 0.000 0.000 0.933 907 K CB -0.180 32.320 32.500 -0.000 0.000 0.717 907 K HN 0.541 nan 8.250 nan 0.000 0.442 908 E N 0.364 120.579 120.200 0.025 0.000 2.051 908 E HA -0.190 4.160 4.350 -0.001 0.000 0.192 908 E C 2.051 178.689 176.600 0.064 0.000 0.991 908 E CA 1.041 57.467 56.400 0.043 0.000 0.799 908 E CB -0.051 29.693 29.700 0.074 0.000 0.748 908 E HN 0.330 nan 8.360 nan 0.000 0.449 909 A N 1.049 123.934 122.820 0.108 0.000 1.877 909 A HA -0.183 4.136 4.320 -0.001 0.000 0.216 909 A C 2.185 179.812 177.584 0.072 0.000 1.186 909 A CA 1.156 53.309 52.037 0.193 0.000 0.620 909 A CB -0.724 18.349 19.000 0.122 0.000 0.822 909 A HN 0.153 nan 8.150 nan 0.000 0.443 910 L N -1.104 120.127 121.223 0.012 0.000 2.012 910 L HA -0.248 4.092 4.340 -0.001 0.000 0.210 910 L C 2.861 179.742 176.870 0.018 0.000 1.073 910 L CA 1.776 56.624 54.840 0.013 0.000 0.748 910 L CB -0.555 41.495 42.059 -0.014 0.000 0.891 910 L HN 0.445 nan 8.230 nan 0.000 0.431 911 Q N 0.478 120.250 119.800 -0.048 0.000 2.124 911 Q HA -0.135 4.205 4.340 -0.001 0.000 0.202 911 Q C 2.068 177.921 176.000 -0.246 0.000 0.977 911 Q CA 1.945 57.689 55.803 -0.097 0.000 0.850 911 Q CB -0.571 28.119 28.738 -0.079 0.000 0.901 911 Q HN 0.417 nan 8.270 nan 0.000 0.429 912 G N -0.854 107.665 108.800 -0.468 0.000 2.394 912 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.215 912 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.215 912 G C 1.188 175.566 174.900 -0.870 0.000 1.165 912 G CA 0.532 44.883 45.100 -1.247 0.000 0.784 912 G HN 0.551 nan 8.290 nan 0.000 0.535 913 W N 1.247 122.237 121.300 -0.516 0.000 2.355 913 W HA 0.026 4.686 4.660 -0.001 0.000 0.309 913 W C 2.299 178.716 176.519 -0.170 0.000 1.206 913 W CA 1.169 58.393 57.345 -0.202 0.000 1.284 913 W CB -0.328 29.045 29.460 -0.144 0.000 1.145 913 W HN 0.106 nan 8.180 nan 0.000 0.502 914 L N 0.584 121.759 121.223 -0.081 0.000 2.042 914 L HA -0.250 4.089 4.340 -0.001 0.000 0.210 914 L C 2.682 179.339 176.870 -0.354 0.000 1.076 914 L CA 1.637 56.329 54.840 -0.248 0.000 0.749 914 L CB -1.280 40.767 42.059 -0.020 0.000 0.893 914 L HN 0.148 nan 8.230 nan 0.000 0.432 915 A N -0.446 122.201 122.820 -0.289 0.000 1.968 915 A HA -0.034 4.285 4.320 -0.001 0.000 0.217 915 A C 2.006 179.438 177.584 -0.253 0.000 1.169 915 A CA 1.521 53.415 52.037 -0.239 0.000 0.638 915 A CB -0.660 18.219 19.000 -0.201 0.000 0.812 915 A HN 0.445 nan 8.150 nan 0.000 0.446 916 G N -1.088 107.524 108.800 -0.314 0.000 3.605 916 G HA2 0.198 4.157 3.960 -0.001 0.000 0.277 916 G HA3 0.198 4.157 3.960 -0.001 0.000 0.277 916 G C 0.973 175.646 174.900 -0.379 0.000 1.093 916 G CA 0.466 45.423 45.100 -0.239 0.000 0.821 916 G HN 0.486 nan 8.290 nan 0.000 0.532 917 K N 0.859 120.867 120.400 -0.653 0.000 2.107 917 K HA -0.160 4.160 4.320 -0.001 0.000 0.211 917 K C 1.250 177.596 176.600 -0.423 0.000 1.049 917 K CA 1.526 57.260 56.287 -0.922 0.000 0.927 917 K CB 0.073 31.999 32.500 -0.956 0.000 0.714 917 K HN 0.215 nan 8.250 nan 0.000 0.452 918 N N 0.891 119.435 118.700 -0.260 0.000 2.251 918 N HA -0.025 4.715 4.740 -0.001 0.000 0.217 918 N C -0.894 174.575 175.510 -0.070 0.000 1.124 918 N CA 0.159 53.132 53.050 -0.128 0.000 0.843 918 N CB 0.518 38.941 38.487 -0.108 0.000 1.024 918 N HN 0.221 nan 8.380 nan 0.000 0.501 919 D N 0.577 120.935 120.400 -0.071 0.000 2.303 919 D HA 0.279 4.919 4.640 -0.001 0.000 0.236 919 D C -1.818 174.503 176.300 0.034 0.000 1.068 919 D CA -2.215 51.779 54.000 -0.011 0.000 0.830 919 D CB 2.341 43.134 40.800 -0.012 0.000 1.109 919 D HN -0.138 nan 8.370 nan 0.000 0.496 920 P HA -0.137 nan 4.420 nan 0.000 0.216 920 P C 1.519 178.883 177.300 0.105 0.000 1.153 920 P CA 0.760 63.925 63.100 0.107 0.000 0.858 920 P CB 0.320 32.101 31.700 0.135 0.000 0.789 921 I N -0.828 119.796 120.570 0.089 0.000 2.133 921 I HA -0.164 4.006 4.170 -0.001 0.000 0.238 921 I C 2.008 178.180 176.117 0.092 0.000 1.074 921 I CA 1.685 63.034 61.300 0.081 0.000 1.342 921 I CB -1.462 36.577 38.000 0.066 0.000 1.053 921 I HN -0.040 nan 8.210 nan 0.000 0.404 922 K N 1.180 121.642 120.400 0.104 0.000 2.062 922 K HA -0.048 4.271 4.320 -0.001 0.000 0.205 922 K C 2.261 179.005 176.600 0.239 0.000 1.051 922 K CA 1.530 57.924 56.287 0.179 0.000 0.941 922 K CB -0.681 31.917 32.500 0.163 0.000 0.719 922 K HN 0.459 nan 8.250 nan 0.000 0.440 923 S N 1.037 116.821 115.700 0.140 0.000 2.399 923 S HA -0.150 4.319 4.470 -0.001 0.000 0.231 923 S C 2.092 176.898 174.600 0.343 0.000 1.022 923 S CA 1.314 59.633 58.200 0.198 0.000 0.983 923 S CB -0.087 63.182 63.200 0.115 0.000 0.803 923 S HN 0.282 nan 8.310 nan 0.000 0.480 924 K N 1.210 121.747 120.400 0.228 0.000 2.076 924 K HA -0.027 4.293 4.320 -0.001 0.000 0.204 924 K C 2.398 179.083 176.600 0.142 0.000 1.051 924 K CA 1.108 57.512 56.287 0.195 0.000 0.949 924 K CB -0.240 32.341 32.500 0.135 0.000 0.726 924 K HN 0.569 nan 8.250 nan 0.000 0.443 925 E N -0.330 119.922 120.200 0.086 0.000 2.038 925 E HA -0.229 4.120 4.350 -0.001 0.000 0.195 925 E C 1.681 178.206 176.600 -0.125 0.000 1.000 925 E CA 1.645 58.004 56.400 -0.068 0.000 0.803 925 E CB -0.131 29.459 29.700 -0.184 0.000 0.750 925 E HN 0.417 nan 8.360 nan 0.000 0.448 926 Y N -0.468 119.894 120.300 0.103 0.000 2.395 926 Y HA 0.052 4.601 4.550 -0.001 0.000 0.293 926 Y C 2.344 178.269 175.900 0.042 0.000 1.123 926 Y CA 0.815 58.969 58.100 0.090 0.000 1.227 926 Y CB -0.310 38.229 38.460 0.133 0.000 1.012 926 Y HN 0.170 nan 8.280 nan 0.000 0.552 927 G N -0.136 108.808 108.800 0.240 0.000 2.402 927 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.216 927 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.216 927 G C 1.180 176.169 174.900 0.148 0.000 1.162 927 G CA 1.182 46.312 45.100 0.050 0.000 0.777 927 G HN 0.246 nan 8.290 nan 0.000 0.539 928 D N 0.483 120.971 120.400 0.146 0.000 2.218 928 D HA -0.030 4.610 4.640 -0.001 0.000 0.204 928 D C 2.403 178.737 176.300 0.057 0.000 0.976 928 D CA 0.733 54.796 54.000 0.105 0.000 0.853 928 D CB -0.025 40.812 40.800 0.062 0.000 0.939 928 D HN 0.320 nan 8.370 nan 0.000 0.481 929 K N -0.096 120.319 120.400 0.025 0.000 2.103 929 K HA 0.050 4.370 4.320 -0.001 0.000 0.204 929 K C 2.220 178.826 176.600 0.011 0.000 1.052 929 K CA 0.339 56.631 56.287 0.009 0.000 0.945 929 K CB 0.047 32.550 32.500 0.005 0.000 0.722 929 K HN 0.115 nan 8.250 nan 0.000 0.443 930 L N 1.118 122.325 121.223 -0.027 0.000 2.093 930 L HA -0.185 4.155 4.340 -0.001 0.000 0.208 930 L C 2.241 179.143 176.870 0.053 0.000 1.085 930 L CA 1.314 56.107 54.840 -0.078 0.000 0.755 930 L CB -0.272 41.553 42.059 -0.389 0.000 0.904 930 L HN 0.115 nan 8.230 nan 0.000 0.435 931 K N 0.119 120.617 120.400 0.163 0.000 2.032 931 K HA -0.214 4.105 4.320 -0.001 0.000 0.209 931 K C 2.163 178.808 176.600 0.074 0.000 1.048 931 K CA 1.519 57.908 56.287 0.170 0.000 0.927 931 K CB -0.057 32.533 32.500 0.150 0.000 0.712 931 K HN 0.251 nan 8.250 nan 0.000 0.441 932 K N 0.734 121.164 120.400 0.051 0.000 2.001 932 K HA -0.082 4.237 4.320 -0.001 0.000 0.208 932 K C 2.154 178.766 176.600 0.020 0.000 1.048 932 K CA 1.170 57.474 56.287 0.027 0.000 0.932 932 K CB -0.192 32.319 32.500 0.018 0.000 0.715 932 K HN 0.045 nan 8.250 nan 0.000 0.437 933 L N 0.923 122.156 121.223 0.016 0.000 2.127 933 L HA -0.171 4.168 4.340 -0.001 0.000 0.211 933 L C 1.869 178.742 176.870 0.006 0.000 1.089 933 L CA 1.049 55.894 54.840 0.008 0.000 0.757 933 L CB -0.209 41.852 42.059 0.002 0.000 0.899 933 L HN 0.193 nan 8.230 nan 0.000 0.434 934 L N -0.645 120.585 121.223 0.013 0.000 2.667 934 L HA 0.295 4.634 4.340 -0.001 0.000 0.232 934 L C 1.052 177.931 176.870 0.014 0.000 1.138 934 L CA -0.657 54.189 54.840 0.011 0.000 0.921 934 L CB -0.255 41.814 42.059 0.016 0.000 1.180 934 L HN 0.051 nan 8.230 nan 0.000 0.487 935 A N 0.513 123.342 122.820 0.015 0.000 2.567 935 A HA 0.338 4.657 4.320 -0.001 0.000 0.240 935 A C 1.513 179.099 177.584 0.002 0.000 1.053 935 A CA 1.043 53.085 52.037 0.009 0.000 0.755 935 A CB -0.229 18.776 19.000 0.009 0.000 0.978 935 A HN 0.649 nan 8.150 nan 0.000 0.507 936 G N 0.960 109.759 108.800 -0.002 0.000 2.363 936 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.238 936 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.238 936 G C 0.586 175.482 174.900 -0.006 0.000 1.062 936 G CA 0.758 45.855 45.100 -0.005 0.000 0.629 936 G HN 1.320 nan 8.290 nan 0.000 0.514 937 Q N 0.845 120.642 119.800 -0.005 0.000 2.339 937 Q HA 0.450 4.790 4.340 -0.001 0.000 0.308 937 Q C 1.076 177.069 176.000 -0.010 0.000 1.097 937 Q CA 1.097 56.895 55.803 -0.007 0.000 1.007 937 Q CB 0.718 29.452 28.738 -0.006 0.000 1.051 937 Q HN 0.392 nan 8.270 nan 0.000 0.381 938 K N 1.875 122.269 120.400 -0.011 0.000 2.412 938 K HA 0.222 4.541 4.320 -0.001 0.000 0.202 938 K C -0.991 175.601 176.600 -0.012 0.000 1.102 938 K CA 0.208 56.487 56.287 -0.013 0.000 1.027 938 K CB 0.794 33.288 32.500 -0.011 0.000 0.931 938 K HN 0.676 nan 8.250 nan 0.000 0.557 939 D N -0.716 119.678 120.400 -0.011 0.000 2.299 939 D HA 0.582 5.221 4.640 -0.001 0.000 0.243 939 D C 0.458 176.752 176.300 -0.010 0.000 0.982 939 D CA -0.164 53.831 54.000 -0.009 0.000 0.924 939 D CB 1.321 42.117 40.800 -0.007 0.000 1.238 939 D HN 0.122 nan 8.370 nan 0.000 0.484 940 G N -0.067 108.728 108.800 -0.008 0.000 2.622 940 G HA2 -0.319 3.641 3.960 -0.001 0.000 0.272 940 G HA3 -0.319 3.641 3.960 -0.001 0.000 0.272 940 G C 0.686 175.579 174.900 -0.012 0.000 1.308 940 G CA 0.049 45.144 45.100 -0.007 0.000 0.919 940 G HN 0.504 nan 8.290 nan 0.000 0.565 941 L N -1.097 120.119 121.223 -0.011 0.000 1.997 941 L HA -0.072 4.267 4.340 -0.001 0.000 0.216 941 L C 2.890 179.743 176.870 -0.029 0.000 1.074 941 L CA 2.784 57.614 54.840 -0.017 0.000 0.763 941 L CB -0.856 41.196 42.059 -0.012 0.000 0.890 941 L HN 0.558 nan 8.230 nan 0.000 0.434 942 L N -0.582 120.626 121.223 -0.025 0.000 2.265 942 L HA -0.056 4.283 4.340 -0.001 0.000 0.215 942 L C 2.408 179.262 176.870 -0.026 0.000 1.117 942 L CA 1.729 56.551 54.840 -0.029 0.000 0.782 942 L CB -1.589 40.457 42.059 -0.022 0.000 0.914 942 L HN 0.375 nan 8.230 nan 0.000 0.441 943 G N -1.821 106.965 108.800 -0.024 0.000 2.403 943 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.216 943 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.216 943 G C 1.482 176.362 174.900 -0.034 0.000 1.154 943 G CA 0.198 45.284 45.100 -0.023 0.000 0.784 943 G HN 0.419 nan 8.290 nan 0.000 0.538 944 Q N -0.227 119.547 119.800 -0.043 0.000 2.119 944 Q HA 0.086 4.426 4.340 -0.001 0.000 0.201 944 Q C 2.545 178.493 176.000 -0.088 0.000 0.972 944 Q CA 0.713 56.475 55.803 -0.069 0.000 0.847 944 Q CB -0.122 28.570 28.738 -0.078 0.000 0.903 944 Q HN 0.490 nan 8.270 nan 0.000 0.433 945 I N 0.695 121.222 120.570 -0.072 0.000 2.252 945 I HA -0.231 3.938 4.170 -0.001 0.000 0.245 945 I C 2.353 178.488 176.117 0.029 0.000 1.102 945 I CA 0.864 62.129 61.300 -0.058 0.000 1.385 945 I CB -0.366 37.581 38.000 -0.088 0.000 1.064 945 I HN 0.143 nan 8.210 nan 0.000 0.414 946 A N 0.661 123.489 122.820 0.014 0.000 2.019 946 A HA -0.034 4.286 4.320 -0.001 0.000 0.219 946 A C 2.321 179.885 177.584 -0.033 0.000 1.164 946 A CA 1.600 53.659 52.037 0.037 0.000 0.644 946 A CB -0.518 18.487 19.000 0.009 0.000 0.805 946 A HN 0.432 nan 8.150 nan 0.000 0.449 947 A N -1.409 121.373 122.820 -0.063 0.000 2.251 947 A HA 0.406 4.726 4.320 -0.001 0.000 0.209 947 A C 1.500 178.998 177.584 -0.144 0.000 1.187 947 A CA 0.441 52.422 52.037 -0.094 0.000 0.823 947 A CB -0.372 18.585 19.000 -0.072 0.000 0.846 947 A HN 0.467 nan 8.150 nan 0.000 0.486 948 M N -0.072 119.422 119.600 -0.177 0.000 2.576 948 M HA 0.038 4.517 4.480 -0.001 0.000 0.322 948 M C 1.699 177.676 176.300 -0.538 0.000 1.184 948 M CA 0.445 55.605 55.300 -0.234 0.000 0.967 948 M CB 0.366 32.872 32.600 -0.157 0.000 1.372 948 M HN 0.490 nan 8.290 nan 0.000 0.509 949 S N 0.675 115.861 115.700 -0.857 0.000 2.402 949 S HA -0.197 4.273 4.470 -0.001 0.000 0.233 949 S C 1.338 175.394 174.600 -0.907 0.000 1.030 949 S CA 1.880 59.057 58.200 -1.705 0.000 1.003 949 S CB -0.567 62.089 63.200 -0.907 0.000 0.813 949 S HN 0.641 nan 8.310 nan 0.000 0.477 950 D N 1.109 121.247 120.400 -0.437 0.000 2.371 950 D HA -0.001 4.639 4.640 -0.001 0.000 0.234 950 D C 1.197 177.430 176.300 -0.111 0.000 1.049 950 D CA 0.312 54.184 54.000 -0.213 0.000 0.907 950 D CB -0.453 40.271 40.800 -0.127 0.000 0.891 950 D HN 0.546 nan 8.370 nan 0.000 0.531 951 L N -1.375 119.758 121.223 -0.150 0.000 2.858 951 L HA 0.206 4.546 4.340 -0.001 0.000 0.251 951 L C 1.552 178.560 176.870 0.230 0.000 1.149 951 L CA -0.392 54.477 54.840 0.047 0.000 0.955 951 L CB -0.064 42.014 42.059 0.032 0.000 1.289 951 L HN -0.018 nan 8.230 nan 0.000 0.542 952 Y N 0.732 121.055 120.300 0.038 0.000 2.049 952 Y HA -0.194 4.356 4.550 -0.001 0.000 0.277 952 Y C 1.982 178.136 175.900 0.423 0.000 1.143 952 Y CA 1.069 59.237 58.100 0.115 0.000 1.115 952 Y CB -0.258 38.190 38.460 -0.020 0.000 0.975 952 Y HN 0.127 nan 8.280 nan 0.000 0.487 953 T N 1.177 115.985 114.554 0.424 0.000 2.884 953 T HA 0.120 4.469 4.350 -0.001 0.000 0.298 953 T C -0.369 174.487 174.700 0.260 0.000 0.998 953 T CA -1.000 61.294 62.100 0.323 0.000 1.124 953 T CB 1.059 70.061 68.868 0.223 0.000 0.931 953 T HN 0.002 nan 8.240 nan 0.000 0.531 954 K N 3.877 124.403 120.400 0.211 0.000 2.466 954 K HA 0.072 4.391 4.320 -0.001 0.000 0.278 954 K C 0.050 176.750 176.600 0.167 0.000 1.048 954 K CA 0.375 56.756 56.287 0.156 0.000 1.088 954 K CB 0.176 32.730 32.500 0.090 0.000 0.884 954 K HN 0.476 nan 8.250 nan 0.000 0.478 955 K N 2.167 122.681 120.400 0.191 0.000 2.098 955 K HA 0.218 4.538 4.320 -0.001 0.000 0.257 955 K C -0.413 176.315 176.600 0.214 0.000 0.999 955 K CA -0.457 55.977 56.287 0.244 0.000 0.924 955 K CB 1.643 34.409 32.500 0.444 0.000 1.028 955 K HN 0.558 nan 8.250 nan 0.000 0.466 956 S N 0.940 116.797 115.700 0.261 0.000 2.566 956 S HA 0.314 4.784 4.470 -0.001 0.000 0.324 956 S C -0.903 173.888 174.600 0.318 0.000 1.081 956 S CA -0.722 57.612 58.200 0.222 0.000 1.105 956 S CB 0.417 63.788 63.200 0.286 0.000 0.981 956 S HN 0.224 nan 8.310 nan 0.000 0.464 957 V N 6.232 126.215 119.914 0.114 0.000 2.385 957 V HA 0.439 4.558 4.120 -0.001 0.000 0.269 957 V C -0.647 175.419 176.094 -0.047 0.000 1.043 957 V CA -0.372 61.982 62.300 0.090 0.000 0.906 957 V CB 0.202 31.982 31.823 -0.072 0.000 0.995 957 V HN 0.845 nan 8.190 nan 0.000 0.467 958 W N 4.743 126.037 121.300 -0.011 0.000 2.689 958 W HA 0.742 5.401 4.660 -0.001 0.000 0.340 958 W C -0.393 176.087 176.519 -0.065 0.000 1.060 958 W CA -0.615 56.740 57.345 0.016 0.000 1.218 958 W CB 1.555 31.030 29.460 0.027 0.000 1.410 958 W HN 0.319 nan 8.180 nan 0.000 0.528 959 I N 3.345 124.101 120.570 0.309 0.000 2.411 959 I HA 0.316 4.486 4.170 -0.001 0.000 0.284 959 I C -0.787 175.590 176.117 0.433 0.000 1.012 959 I CA -0.573 60.829 61.300 0.170 0.000 1.119 959 I CB 0.686 38.781 38.000 0.158 0.000 1.261 959 I HN 0.194 nan 8.210 nan 0.000 0.448 960 F N 4.022 123.990 119.950 0.031 0.000 2.421 960 F HA 0.766 5.292 4.527 -0.001 0.000 0.337 960 F C 0.832 176.530 175.800 -0.170 0.000 1.105 960 F CA -0.784 57.287 58.000 0.119 0.000 1.049 960 F CB 2.196 41.319 39.000 0.204 0.000 1.139 960 F HN 0.492 nan 8.300 nan 0.000 0.479 961 G N 1.251 110.141 108.800 0.150 0.000 2.632 961 G HA2 0.480 4.439 3.960 -0.001 0.000 0.292 961 G HA3 0.480 4.439 3.960 -0.001 0.000 0.292 961 G C -1.178 173.960 174.900 0.396 0.000 1.465 961 G CA -0.623 44.529 45.100 0.088 0.000 0.824 961 G HN 0.882 nan 8.290 nan 0.000 0.509 962 G N -0.937 108.126 108.800 0.438 0.000 2.543 962 G HA2 0.464 4.423 3.960 -0.001 0.000 0.290 962 G HA3 0.464 4.423 3.960 -0.001 0.000 0.290 962 G C 0.854 175.987 174.900 0.388 0.000 1.310 962 G CA 0.532 45.832 45.100 0.334 0.000 1.025 962 G HN 0.667 nan 8.290 nan 0.000 0.502 963 D N -0.734 119.786 120.400 0.200 0.000 2.144 963 D HA -0.094 4.546 4.640 -0.001 0.000 0.200 963 D C 2.217 178.562 176.300 0.074 0.000 0.978 963 D CA 1.248 55.344 54.000 0.161 0.000 0.833 963 D CB -0.821 39.879 40.800 -0.167 0.000 0.961 963 D HN 0.478 nan 8.370 nan 0.000 0.470 964 G N 0.389 109.124 108.800 -0.107 0.000 2.440 964 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.218 964 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.218 964 G C 1.398 176.391 174.900 0.155 0.000 1.154 964 G CA 0.880 45.774 45.100 -0.343 0.000 0.767 964 G HN 0.433 nan 8.290 nan 0.000 0.552 965 W N 1.754 123.175 121.300 0.202 0.000 2.378 965 W HA 0.157 4.816 4.660 -0.001 0.000 0.313 965 W C 2.632 179.186 176.519 0.060 0.000 1.197 965 W CA 2.249 59.614 57.345 0.033 0.000 1.304 965 W CB -0.460 29.120 29.460 0.200 0.000 1.148 965 W HN 0.218 nan 8.180 nan 0.000 0.494 966 A N -1.088 121.486 122.820 -0.410 0.000 1.968 966 A HA -0.118 4.202 4.320 -0.001 0.000 0.217 966 A C 1.700 179.067 177.584 -0.363 0.000 1.169 966 A CA 1.532 53.119 52.037 -0.750 0.000 0.638 966 A CB -1.140 17.664 19.000 -0.327 0.000 0.812 966 A HN 0.506 nan 8.150 nan 0.000 0.446 967 Y N -0.431 119.703 120.300 -0.276 0.000 2.503 967 Y HA 0.110 4.659 4.550 -0.001 0.000 0.278 967 Y C 1.492 177.254 175.900 -0.229 0.000 1.111 967 Y CA 0.415 58.335 58.100 -0.299 0.000 1.270 967 Y CB 0.154 38.485 38.460 -0.216 0.000 1.063 967 Y HN 0.288 nan 8.280 nan 0.000 0.548 968 D N -0.827 119.590 120.400 0.029 0.000 3.012 968 D HA 0.042 4.681 4.640 -0.001 0.000 0.230 968 D C 1.966 178.276 176.300 0.016 0.000 1.477 968 D CA -0.003 54.049 54.000 0.086 0.000 1.329 968 D CB -0.708 40.256 40.800 0.274 0.000 0.951 968 D HN 0.048 nan 8.370 nan 0.000 0.224 969 I N 0.742 121.294 120.570 -0.030 0.000 2.361 969 I HA -0.099 4.071 4.170 -0.001 0.000 0.251 969 I C 1.469 177.455 176.117 -0.218 0.000 1.133 969 I CA 1.561 62.753 61.300 -0.181 0.000 1.413 969 I CB 0.104 37.904 38.000 -0.332 0.000 1.073 969 I HN 0.141 nan 8.210 nan 0.000 0.424 970 G N -1.537 107.063 108.800 -0.334 0.000 3.277 970 G HA2 -0.158 3.802 3.960 -0.001 0.000 0.243 970 G HA3 -0.158 3.802 3.960 -0.001 0.000 0.243 970 G C 1.075 175.744 174.900 -0.385 0.000 1.107 970 G CA -0.222 44.670 45.100 -0.347 0.000 0.771 970 G HN 0.382 nan 8.290 nan 0.000 0.544 971 Y N 2.195 122.240 120.300 -0.425 0.000 2.151 971 Y HA -0.142 4.407 4.550 -0.001 0.000 0.284 971 Y C 2.477 178.247 175.900 -0.217 0.000 1.166 971 Y CA 1.711 59.604 58.100 -0.345 0.000 1.163 971 Y CB -0.541 37.775 38.460 -0.239 0.000 0.974 971 Y HN 0.113 nan 8.280 nan 0.000 0.511 972 G N -0.779 107.820 108.800 -0.335 0.000 2.418 972 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.217 972 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.217 972 G C 1.921 176.671 174.900 -0.250 0.000 1.158 972 G CA 0.823 45.715 45.100 -0.346 0.000 0.771 972 G HN 0.635 nan 8.290 nan 0.000 0.545 973 G N 0.681 109.379 108.800 -0.170 0.000 2.404 973 G HA2 -0.091 3.868 3.960 -0.001 0.000 0.215 973 G HA3 -0.091 3.868 3.960 -0.001 0.000 0.215 973 G C 1.716 176.575 174.900 -0.068 0.000 1.174 973 G CA 0.965 46.018 45.100 -0.079 0.000 0.780 973 G HN 0.363 nan 8.290 nan 0.000 0.537 974 L N 1.419 122.570 121.223 -0.119 0.000 2.012 974 L HA -0.083 4.256 4.340 -0.001 0.000 0.210 974 L C 2.259 179.042 176.870 -0.146 0.000 1.073 974 L CA 2.740 57.520 54.840 -0.098 0.000 0.748 974 L CB -0.983 40.916 42.059 -0.267 0.000 0.891 974 L HN 0.339 nan 8.230 nan 0.000 0.431 975 D N -1.868 118.366 120.400 -0.277 0.000 2.104 975 D HA -0.295 4.344 4.640 -0.001 0.000 0.194 975 D C 2.285 178.470 176.300 -0.192 0.000 0.994 975 D CA 1.679 55.522 54.000 -0.261 0.000 0.830 975 D CB -0.238 40.277 40.800 -0.476 0.000 0.959 975 D HN 0.563 nan 8.370 nan 0.000 0.452 976 H N -0.390 118.529 119.070 -0.253 0.000 2.353 976 H HA -0.077 4.478 4.556 -0.001 0.000 0.300 976 H C 2.153 177.287 175.328 -0.323 0.000 1.090 976 H CA 1.506 57.401 56.048 -0.254 0.000 1.327 976 H CB -0.057 29.556 29.762 -0.250 0.000 1.383 976 H HN 0.109 nan 8.280 nan 0.000 0.508 977 V N 1.375 121.141 119.914 -0.246 0.000 2.343 977 V HA -0.265 3.855 4.120 -0.001 0.000 0.247 977 V C 2.933 178.894 176.094 -0.223 0.000 1.051 977 V CA 1.499 63.606 62.300 -0.321 0.000 1.036 977 V CB -0.568 31.181 31.823 -0.123 0.000 0.654 977 V HN 0.334 nan 8.190 nan 0.000 0.451 978 L N 0.125 121.232 121.223 -0.194 0.000 2.141 978 L HA -0.110 4.230 4.340 -0.001 0.000 0.209 978 L C 2.555 179.216 176.870 -0.347 0.000 1.094 978 L CA 1.411 56.132 54.840 -0.198 0.000 0.763 978 L CB -0.707 41.232 42.059 -0.200 0.000 0.908 978 L HN 0.363 nan 8.230 nan 0.000 0.437 979 A N -0.191 122.310 122.820 -0.531 0.000 2.168 979 A HA -0.112 4.207 4.320 -0.001 0.000 0.215 979 A C 2.440 179.885 177.584 -0.232 0.000 1.152 979 A CA 1.243 52.947 52.037 -0.556 0.000 0.716 979 A CB -0.411 18.277 19.000 -0.519 0.000 0.794 979 A HN 0.502 nan 8.150 nan 0.000 0.465 980 S N -1.429 114.100 115.700 -0.285 0.000 2.453 980 S HA 0.260 4.729 4.470 -0.001 0.000 0.231 980 S C 1.634 176.149 174.600 -0.143 0.000 1.005 980 S CA 1.247 59.314 58.200 -0.222 0.000 0.949 980 S CB -0.581 62.513 63.200 -0.178 0.000 0.774 980 S HN 1.854 nan 8.310 nan 0.000 0.510 981 G N 0.967 109.724 108.800 -0.070 0.000 2.162 981 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.260 981 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.260 981 G C -0.136 174.716 174.900 -0.081 0.000 0.976 981 G CA 0.345 45.378 45.100 -0.112 0.000 0.655 981 G HN 0.616 nan 8.290 nan 0.000 0.533 982 E N 0.333 120.529 120.200 -0.007 0.000 2.371 982 E HA 0.272 4.622 4.350 -0.001 0.000 0.257 982 E C -0.394 176.189 176.600 -0.027 0.000 1.134 982 E CA -0.556 55.833 56.400 -0.019 0.000 0.919 982 E CB 0.667 30.411 29.700 0.074 0.000 1.025 982 E HN 0.136 nan 8.360 nan 0.000 0.438 983 D N 1.837 122.193 120.400 -0.075 0.000 2.545 983 D HA 0.124 4.764 4.640 -0.001 0.000 0.227 983 D C -0.803 175.444 176.300 -0.090 0.000 1.150 983 D CA -0.191 53.755 54.000 -0.090 0.000 1.046 983 D CB -0.491 40.244 40.800 -0.107 0.000 1.098 983 D HN 0.235 nan 8.370 nan 0.000 0.502 984 V N 0.342 120.219 119.914 -0.061 0.000 3.074 984 V HA 0.675 4.795 4.120 -0.001 0.000 0.314 984 V C -0.433 175.553 176.094 -0.180 0.000 1.117 984 V CA -1.117 61.121 62.300 -0.104 0.000 1.014 984 V CB 2.344 34.168 31.823 0.001 0.000 1.057 984 V HN 0.228 nan 8.190 nan 0.000 0.438 985 N N 0.924 119.412 118.700 -0.353 0.000 2.399 985 N HA 0.584 5.324 4.740 -0.001 0.000 0.280 985 N C -1.308 174.108 175.510 -0.157 0.000 1.008 985 N CA -0.271 52.449 53.050 -0.550 0.000 0.894 985 N CB 2.301 39.755 38.487 -1.722 0.000 1.273 985 N HN 0.609 nan 8.380 nan 0.000 0.486 986 V N 2.812 122.789 119.914 0.104 0.000 2.370 986 V HA 0.389 4.509 4.120 -0.001 0.000 0.283 986 V C -0.655 175.773 176.094 0.557 0.000 1.023 986 V CA -0.683 61.838 62.300 0.369 0.000 0.857 986 V CB 0.874 32.912 31.823 0.358 0.000 0.985 986 V HN 0.505 nan 8.190 nan 0.000 0.443 987 F N 5.863 126.153 119.950 0.567 0.000 2.382 987 F HA 0.636 5.163 4.527 -0.001 0.000 0.361 987 F C -0.302 175.722 175.800 0.373 0.000 1.109 987 F CA -0.714 57.585 58.000 0.499 0.000 1.031 987 F CB 1.406 40.720 39.000 0.522 0.000 1.234 987 F HN 0.257 nan 8.300 nan 0.000 0.445 988 V N 7.737 127.546 119.914 -0.176 0.000 2.383 988 V HA 0.269 4.389 4.120 -0.001 0.000 0.275 988 V C 0.133 175.975 176.094 -0.421 0.000 1.036 988 V CA -0.455 61.807 62.300 -0.062 0.000 0.889 988 V CB 1.373 33.292 31.823 0.160 0.000 0.985 988 V HN 0.699 nan 8.190 nan 0.000 0.459 989 M N 4.397 123.850 119.600 -0.244 0.000 2.365 989 M HA 0.281 4.760 4.480 -0.001 0.000 0.350 989 M C -0.178 176.074 176.300 -0.080 0.000 1.274 989 M CA -0.220 54.928 55.300 -0.253 0.000 1.252 989 M CB 0.351 32.922 32.600 -0.048 0.000 1.297 989 M HN 0.491 nan 8.290 nan 0.000 0.438 990 D N 2.085 122.431 120.400 -0.089 0.000 2.344 990 D HA 0.061 4.700 4.640 -0.001 0.000 0.253 990 D C 0.932 177.122 176.300 -0.183 0.000 1.255 990 D CA 0.207 54.194 54.000 -0.022 0.000 0.894 990 D CB 0.999 41.931 40.800 0.220 0.000 1.067 990 D HN 0.635 nan 8.370 nan 0.000 0.492 991 T N 0.033 114.509 114.554 -0.129 0.000 3.069 991 T HA 0.080 4.429 4.350 -0.001 0.000 0.252 991 T C 0.602 175.228 174.700 -0.123 0.000 1.053 991 T CA -0.246 61.760 62.100 -0.157 0.000 0.964 991 T CB -0.150 68.677 68.868 -0.068 0.000 1.005 991 T HN 0.585 nan 8.240 nan 0.000 0.532 992 E N -0.194 119.940 120.200 -0.110 0.000 2.971 992 E HA -0.172 4.177 4.350 -0.001 0.000 0.278 992 E C 0.012 176.565 176.600 -0.079 0.000 1.009 992 E CA 0.646 56.999 56.400 -0.078 0.000 0.862 992 E CB -2.564 27.169 29.700 0.055 0.000 1.436 992 E HN 0.814 nan 8.360 nan 0.000 0.434 993 V N -4.768 115.090 119.914 -0.094 0.000 3.300 993 V HA 0.406 4.525 4.120 -0.001 0.000 0.289 993 V C -1.099 174.968 176.094 -0.045 0.000 1.533 993 V CA -1.304 60.973 62.300 -0.038 0.000 1.059 993 V CB 0.899 32.729 31.823 0.012 0.000 1.161 993 V HN 0.045 nan 8.190 nan 0.000 0.462 994 Y N 1.459 121.775 120.300 0.028 0.000 2.600 994 Y HA 0.494 5.043 4.550 -0.001 0.000 0.351 994 Y C 1.786 177.691 175.900 0.008 0.000 1.042 994 Y CA 0.727 58.852 58.100 0.042 0.000 1.333 994 Y CB 1.222 39.694 38.460 0.020 0.000 1.172 994 Y HN 0.758 nan 8.280 nan 0.000 0.517 995 S N 1.928 117.699 115.700 0.118 0.000 2.335 995 S HA -0.214 4.256 4.470 -0.001 0.000 0.217 995 S C 1.956 176.594 174.600 0.064 0.000 1.032 995 S CA 1.463 59.709 58.200 0.076 0.000 0.985 995 S CB -0.247 62.995 63.200 0.071 0.000 0.896 995 S HN 0.809 nan 8.310 nan 0.000 0.445 996 N N 1.124 119.862 118.700 0.064 0.000 2.091 996 N HA -0.146 4.593 4.740 -0.001 0.000 0.193 996 N C 1.543 177.051 175.510 -0.003 0.000 1.021 996 N CA 2.137 55.206 53.050 0.030 0.000 0.862 996 N CB -0.333 38.157 38.487 0.005 0.000 1.018 996 N HN 0.554 nan 8.380 nan 0.000 0.429 997 T N -4.343 110.208 114.554 -0.006 0.000 3.148 997 T HA 0.309 4.658 4.350 -0.001 0.000 0.253 997 T C 1.133 175.812 174.700 -0.036 0.000 1.134 997 T CA 0.388 62.463 62.100 -0.041 0.000 1.051 997 T CB 0.174 68.993 68.868 -0.082 0.000 0.959 997 T HN 0.315 nan 8.240 nan 0.000 0.525 998 G N 0.386 109.178 108.800 -0.014 0.000 2.189 998 G HA2 0.326 4.285 3.960 -0.001 0.000 0.113 998 G HA3 0.326 4.285 3.960 -0.001 0.000 0.113 998 G C 0.675 175.558 174.900 -0.030 0.000 1.038 998 G CA -0.171 44.909 45.100 -0.033 0.000 0.704 998 G HN 1.421 nan 8.290 nan 0.000 0.490 999 G N -1.100 107.707 108.800 0.011 0.000 2.295 999 G HA2 -0.094 3.865 3.960 -0.001 0.000 0.287 999 G HA3 -0.094 3.865 3.960 -0.001 0.000 0.287 999 G C 0.260 175.178 174.900 0.029 0.000 1.055 999 G CA 1.036 46.145 45.100 0.015 0.000 0.922 999 G HN 1.099 nan 8.290 nan 0.000 0.503 1000 Q N 0.132 119.995 119.800 0.104 0.000 2.299 1000 Q HA 0.596 4.936 4.340 -0.001 0.000 0.246 1000 Q C 0.866 177.043 176.000 0.294 0.000 0.935 1000 Q CA 0.310 56.209 55.803 0.160 0.000 0.887 1000 Q CB 1.240 30.048 28.738 0.117 0.000 1.223 1000 Q HN 0.432 nan 8.270 nan 0.000 0.439 1001 S N 1.001 116.855 115.700 0.257 0.000 2.568 1001 S HA 0.388 4.857 4.470 -0.001 0.000 0.282 1001 S C -0.238 174.567 174.600 0.343 0.000 1.338 1001 S CA -0.012 58.321 58.200 0.221 0.000 1.045 1001 S CB 0.161 63.467 63.200 0.176 0.000 0.873 1001 S HN 0.639 nan 8.310 nan 0.000 0.516 1002 S N 3.174 118.969 115.700 0.159 0.000 2.667 1002 S HA 0.500 4.970 4.470 -0.001 0.000 0.292 1002 S C 0.279 174.878 174.600 -0.003 0.000 1.126 1002 S CA -0.961 57.285 58.200 0.077 0.000 0.881 1002 S CB 1.239 64.227 63.200 -0.353 0.000 1.132 1002 S HN 0.740 nan 8.310 nan 0.000 0.492 1003 K N 0.234 120.630 120.400 -0.007 0.000 2.515 1003 K HA 0.054 4.373 4.320 -0.001 0.000 0.196 1003 K C 1.593 178.111 176.600 -0.137 0.000 1.038 1003 K CA 0.902 57.179 56.287 -0.015 0.000 0.967 1003 K CB -0.384 32.138 32.500 0.037 0.000 0.780 1003 K HN 0.669 nan 8.250 nan 0.000 0.483 1004 A N 0.892 123.474 122.820 -0.397 0.000 2.178 1004 A HA 0.029 4.348 4.320 -0.001 0.000 0.211 1004 A C 0.734 178.175 177.584 -0.238 0.000 1.157 1004 A CA 0.207 51.836 52.037 -0.682 0.000 0.780 1004 A CB 0.049 18.281 19.000 -1.281 0.000 0.828 1004 A HN 0.073 nan 8.150 nan 0.000 0.476 1005 T N 3.727 118.211 114.554 -0.116 0.000 2.888 1005 T HA 0.327 4.676 4.350 -0.001 0.000 0.301 1005 T C -2.350 172.388 174.700 0.063 0.000 1.001 1005 T CA -0.626 61.471 62.100 -0.004 0.000 1.147 1005 T CB 0.941 69.816 68.868 0.010 0.000 0.931 1005 T HN 0.283 nan 8.240 nan 0.000 0.541 1006 P HA 0.141 nan 4.420 nan 0.000 0.276 1006 P C -0.224 177.217 177.300 0.235 0.000 1.252 1006 P CA -0.514 62.733 63.100 0.244 0.000 0.802 1006 P CB 0.359 32.352 31.700 0.488 0.000 1.035 1007 T N 1.045 115.735 114.554 0.227 0.000 2.908 1007 T HA 0.258 4.607 4.350 -0.001 0.000 0.301 1007 T C 1.449 176.323 174.700 0.290 0.000 1.019 1007 T CA 1.910 64.132 62.100 0.203 0.000 1.152 1007 T CB -0.791 68.180 68.868 0.171 0.000 0.966 1007 T HN 0.817 nan 8.240 nan 0.000 0.540 1008 G N 2.181 111.110 108.800 0.215 0.000 2.184 1008 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.264 1008 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.264 1008 G C 0.296 175.310 174.900 0.189 0.000 0.975 1008 G CA 0.052 45.298 45.100 0.243 0.000 0.642 1008 G HN 1.193 nan 8.290 nan 0.000 0.536 1009 A N -0.199 122.647 122.820 0.043 0.000 2.388 1009 A HA 0.678 4.997 4.320 -0.001 0.000 0.257 1009 A C 0.514 177.967 177.584 -0.218 0.000 1.095 1009 A CA 0.223 52.008 52.037 -0.419 0.000 0.791 1009 A CB 1.065 19.825 19.000 -0.399 0.000 1.029 1009 A HN 1.101 nan 8.150 nan 0.000 0.489 1010 V N 1.670 121.425 119.914 -0.265 0.000 2.432 1010 V HA 0.642 4.762 4.120 -0.001 0.000 0.275 1010 V C 0.591 176.608 176.094 -0.127 0.000 1.043 1010 V CA 0.740 62.964 62.300 -0.127 0.000 0.925 1010 V CB 0.499 32.271 31.823 -0.084 0.000 0.985 1010 V HN 1.364 nan 8.190 nan 0.000 0.466 1011 A N 5.137 127.908 122.820 -0.083 0.000 2.586 1011 A HA 0.728 5.047 4.320 -0.001 0.000 0.290 1011 A C -1.072 176.454 177.584 -0.097 0.000 1.086 1011 A CA -1.015 50.976 52.037 -0.076 0.000 0.665 1011 A CB 1.278 20.257 19.000 -0.035 0.000 1.279 1011 A HN 0.513 nan 8.150 nan 0.000 0.423 1012 K N 0.387 120.696 120.400 -0.150 0.000 2.451 1012 K HA 0.352 4.672 4.320 -0.001 0.000 0.280 1012 K C -0.474 175.945 176.600 -0.300 0.000 1.020 1012 K CA 0.500 56.561 56.287 -0.377 0.000 1.008 1012 K CB -0.783 31.422 32.500 -0.492 0.000 0.917 1012 K HN 0.930 nan 8.250 nan 0.000 0.478 1013 F N -0.806 119.126 119.950 -0.030 0.000 2.884 1013 F HA -0.308 4.218 4.527 -0.001 0.000 0.294 1013 F C 0.522 176.323 175.800 0.002 0.000 0.723 1013 F CA 0.759 58.752 58.000 -0.013 0.000 1.294 1013 F CB -1.642 37.349 39.000 -0.015 0.000 1.551 1013 F HN 0.626 nan 8.300 nan 0.000 0.363 1014 A N -0.515 122.339 122.820 0.055 0.000 3.019 1014 A HA 0.753 5.072 4.320 -0.001 0.000 0.202 1014 A C 0.788 178.372 177.584 -0.000 0.000 0.924 1014 A CA 0.270 52.334 52.037 0.045 0.000 1.156 1014 A CB -0.401 18.631 19.000 0.054 0.000 1.265 1014 A HN 0.752 nan 8.150 nan 0.000 0.526 1015 A N -0.486 122.321 122.820 -0.022 0.000 2.239 1015 A HA 0.462 4.782 4.320 -0.001 0.000 0.209 1015 A C 1.456 179.060 177.584 0.033 0.000 1.171 1015 A CA 1.364 53.392 52.037 -0.016 0.000 0.768 1015 A CB -0.231 18.742 19.000 -0.045 0.000 0.790 1015 A HN 1.531 nan 8.150 nan 0.000 0.478 1016 A N -1.125 121.695 122.820 0.002 0.000 2.571 1016 A HA 0.539 4.859 4.320 -0.001 0.000 0.274 1016 A C 0.943 178.535 177.584 0.013 0.000 1.196 1016 A CA 0.515 52.525 52.037 -0.046 0.000 0.957 1016 A CB -0.556 18.334 19.000 -0.183 0.000 1.150 1016 A HN 1.950 nan 8.150 nan 0.000 0.539 1017 G N 0.259 109.080 108.800 0.035 0.000 3.190 1017 G HA2 -0.105 3.855 3.960 -0.001 0.000 0.686 1017 G HA3 -0.105 3.855 3.960 -0.001 0.000 0.686 1017 G C -0.404 174.523 174.900 0.045 0.000 1.033 1017 G CA -0.220 44.909 45.100 0.048 0.000 0.797 1017 G HN 0.663 nan 8.290 nan 0.000 0.567 1018 K N 1.365 121.795 120.400 0.049 0.000 2.451 1018 K HA 0.228 4.548 4.320 -0.001 0.000 0.280 1018 K C 1.044 177.686 176.600 0.069 0.000 1.020 1018 K CA -0.203 56.120 56.287 0.060 0.000 1.008 1018 K CB 0.253 32.791 32.500 0.064 0.000 0.917 1018 K HN 0.380 nan 8.250 nan 0.000 0.478 1019 R N 2.353 122.886 120.500 0.056 0.000 2.426 1019 R HA 0.071 4.410 4.340 -0.001 0.000 0.263 1019 R C -0.229 176.101 176.300 0.049 0.000 0.961 1019 R CA 0.055 56.185 56.100 0.050 0.000 1.086 1019 R CB -0.099 30.221 30.300 0.034 0.000 1.186 1019 R HN 0.756 nan 8.270 nan 0.000 0.537 1020 T N -3.492 111.095 114.554 0.055 0.000 2.900 1020 T HA 0.662 5.012 4.350 -0.001 0.000 0.295 1020 T C 0.509 175.244 174.700 0.058 0.000 1.044 1020 T CA -0.759 61.370 62.100 0.048 0.000 0.995 1020 T CB 2.732 71.624 68.868 0.040 0.000 1.072 1020 T HN 0.085 nan 8.240 nan 0.000 0.473 1021 G N 0.887 109.719 108.800 0.053 0.000 2.667 1021 G HA2 0.372 4.331 3.960 -0.001 0.000 0.250 1021 G HA3 0.372 4.331 3.960 -0.001 0.000 0.250 1021 G C -0.318 174.611 174.900 0.047 0.000 1.212 1021 G CA -0.870 44.265 45.100 0.059 0.000 0.874 1021 G HN 0.993 nan 8.290 nan 0.000 0.561 1022 K N 0.370 120.798 120.400 0.047 0.000 2.379 1022 K HA 0.098 4.417 4.320 -0.001 0.000 0.284 1022 K C 0.664 177.286 176.600 0.037 0.000 1.044 1022 K CA -0.385 55.920 56.287 0.031 0.000 0.974 1022 K CB 0.395 32.912 32.500 0.028 0.000 0.962 1022 K HN 0.478 nan 8.250 nan 0.000 0.474 1023 K N 3.682 124.117 120.400 0.058 0.000 2.489 1023 K HA -0.114 4.205 4.320 -0.001 0.000 0.278 1023 K C -0.400 176.259 176.600 0.098 0.000 1.000 1023 K CA 0.161 56.489 56.287 0.069 0.000 1.012 1023 K CB 0.491 33.047 32.500 0.094 0.000 0.903 1023 K HN 0.517 nan 8.250 nan 0.000 0.485 1024 D N 5.424 125.820 120.400 -0.006 0.000 2.563 1024 D HA 0.018 4.657 4.640 -0.001 0.000 0.222 1024 D C 0.925 177.162 176.300 -0.105 0.000 1.145 1024 D CA -0.225 53.752 54.000 -0.037 0.000 1.001 1024 D CB 0.260 41.017 40.800 -0.072 0.000 1.049 1024 D HN 0.576 nan 8.370 nan 0.000 0.515 1025 L N 3.261 124.383 121.223 -0.168 0.000 2.042 1025 L HA -0.136 4.203 4.340 -0.001 0.000 0.210 1025 L C 2.067 178.836 176.870 -0.169 0.000 1.076 1025 L CA 2.216 56.853 54.840 -0.338 0.000 0.749 1025 L CB -0.548 41.023 42.059 -0.814 0.000 0.893 1025 L HN 0.291 nan 8.230 nan 0.000 0.432 1026 A N -0.351 122.418 122.820 -0.084 0.000 1.865 1026 A HA -0.238 4.082 4.320 -0.001 0.000 0.217 1026 A C 2.423 179.963 177.584 -0.074 0.000 1.191 1026 A CA 1.974 54.017 52.037 0.011 0.000 0.623 1026 A CB -0.620 18.514 19.000 0.222 0.000 0.826 1026 A HN 0.512 nan 8.150 nan 0.000 0.444 1027 R N -1.320 119.102 120.500 -0.129 0.000 2.148 1027 R HA -0.010 4.329 4.340 -0.001 0.000 0.227 1027 R C 2.182 178.361 176.300 -0.201 0.000 1.103 1027 R CA 1.395 57.366 56.100 -0.216 0.000 0.983 1027 R CB -0.356 29.808 30.300 -0.228 0.000 0.874 1027 R HN 0.581 nan 8.270 nan 0.000 0.451 1028 M N -0.147 119.362 119.600 -0.151 0.000 2.132 1028 M HA -0.129 4.350 4.480 -0.001 0.000 0.263 1028 M C 2.186 178.406 176.300 -0.134 0.000 1.065 1028 M CA 1.316 56.536 55.300 -0.134 0.000 1.122 1028 M CB 0.041 32.597 32.600 -0.073 0.000 1.365 1028 M HN -0.061 nan 8.290 nan 0.000 0.411 1029 V N 0.121 119.994 119.914 -0.068 0.000 2.548 1029 V HA -0.223 3.897 4.120 -0.001 0.000 0.249 1029 V C 2.209 178.257 176.094 -0.076 0.000 1.055 1029 V CA 1.412 63.731 62.300 0.031 0.000 1.065 1029 V CB -0.513 31.331 31.823 0.035 0.000 0.681 1029 V HN 0.514 nan 8.190 nan 0.000 0.462 1030 M N 0.620 120.066 119.600 -0.257 0.000 2.446 1030 M HA -0.132 4.348 4.480 -0.001 0.000 0.263 1030 M C 2.198 178.214 176.300 -0.474 0.000 1.066 1030 M CA 1.862 56.837 55.300 -0.542 0.000 1.087 1030 M CB -0.655 31.531 32.600 -0.690 0.000 1.406 1030 M HN 0.644 nan 8.290 nan 0.000 0.459 1031 T N -2.610 111.734 114.554 -0.350 0.000 3.051 1031 T HA -0.143 4.206 4.350 -0.001 0.000 0.269 1031 T C 1.316 175.834 174.700 -0.304 0.000 1.127 1031 T CA 0.876 62.785 62.100 -0.318 0.000 1.107 1031 T CB -0.522 68.139 68.868 -0.345 0.000 0.898 1031 T HN 0.329 nan 8.240 nan 0.000 0.517 1032 Y N 2.016 122.149 120.300 -0.279 0.000 2.263 1032 Y HA 0.252 4.802 4.550 -0.001 0.000 0.292 1032 Y C 2.576 178.353 175.900 -0.204 0.000 1.130 1032 Y CA 0.647 58.514 58.100 -0.390 0.000 1.179 1032 Y CB -0.707 37.307 38.460 -0.743 0.000 0.998 1032 Y HN 0.434 nan 8.280 nan 0.000 0.532 1033 G N -0.659 108.196 108.800 0.092 0.000 2.363 1033 G HA2 -0.404 3.555 3.960 -0.001 0.000 0.238 1033 G HA3 -0.404 3.555 3.960 -0.001 0.000 0.238 1033 G C 0.779 176.207 174.900 0.881 0.000 1.062 1033 G CA 0.657 46.046 45.100 0.483 0.000 0.629 1033 G HN 0.565 nan 8.290 nan 0.000 0.514 1034 Y N 0.163 120.868 120.300 0.676 0.000 2.607 1034 Y HA 0.760 5.309 4.550 -0.001 0.000 0.266 1034 Y C 0.317 176.491 175.900 0.456 0.000 1.178 1034 Y CA -0.871 57.556 58.100 0.546 0.000 1.226 1034 Y CB -0.082 38.349 38.460 -0.047 0.000 1.144 1034 Y HN 0.227 nan 8.280 nan 0.000 0.528 1035 V N 1.718 121.803 119.914 0.284 0.000 2.495 1035 V HA 0.175 4.295 4.120 -0.001 0.000 0.298 1035 V C -0.884 175.277 176.094 0.112 0.000 1.031 1035 V CA -1.294 61.142 62.300 0.227 0.000 0.871 1035 V CB 1.285 33.120 31.823 0.019 0.000 0.988 1035 V HN 0.319 nan 8.190 nan 0.000 0.432 1036 Y N 5.146 125.300 120.300 -0.243 0.000 2.436 1036 Y HA 0.498 5.047 4.550 -0.001 0.000 0.336 1036 Y C -0.277 175.617 175.900 -0.009 0.000 1.049 1036 Y CA 0.180 58.084 58.100 -0.326 0.000 1.294 1036 Y CB 0.915 38.996 38.460 -0.631 0.000 1.179 1036 Y HN 0.414 nan 8.280 nan 0.000 0.520 1037 V N 5.831 125.654 119.914 -0.151 0.000 2.656 1037 V HA 0.903 5.023 4.120 -0.001 0.000 0.307 1037 V C -0.603 175.487 176.094 -0.006 0.000 1.051 1037 V CA -0.455 61.870 62.300 0.043 0.000 0.893 1037 V CB 1.280 33.143 31.823 0.067 0.000 0.999 1037 V HN 0.938 nan 8.190 nan 0.000 0.426 1038 A N 2.719 125.634 122.820 0.158 0.000 2.604 1038 A HA 0.932 5.252 4.320 -0.001 0.000 0.295 1038 A C -0.432 177.172 177.584 0.034 0.000 1.067 1038 A CA -0.346 51.760 52.037 0.115 0.000 0.683 1038 A CB 2.164 21.318 19.000 0.256 0.000 1.281 1038 A HN 0.955 nan 8.150 nan 0.000 0.407 1039 T N -1.106 113.295 114.554 -0.254 0.000 2.885 1039 T HA 0.836 5.185 4.350 -0.001 0.000 0.285 1039 T C -0.116 174.653 174.700 0.115 0.000 1.019 1039 T CA -0.131 61.858 62.100 -0.184 0.000 1.010 1039 T CB 1.094 69.511 68.868 -0.751 0.000 1.022 1039 T HN 2.088 nan 8.240 nan 0.000 0.466 1040 V N -1.852 118.295 119.914 0.389 0.000 3.159 1040 V HA 0.968 5.087 4.120 -0.001 0.000 0.308 1040 V C -0.601 175.770 176.094 0.462 0.000 1.190 1040 V CA -0.883 61.689 62.300 0.453 0.000 1.037 1040 V CB 1.735 33.914 31.823 0.593 0.000 1.060 1040 V HN 1.160 nan 8.190 nan 0.000 0.437 1041 S N 2.077 118.018 115.700 0.402 0.000 2.536 1041 S HA 0.337 4.807 4.470 -0.001 0.000 0.246 1041 S C 0.333 175.099 174.600 0.276 0.000 1.077 1041 S CA -0.023 58.358 58.200 0.302 0.000 1.091 1041 S CB 1.243 64.554 63.200 0.185 0.000 1.148 1041 S HN 1.055 nan 8.310 nan 0.000 0.447 1042 M N 4.158 123.851 119.600 0.155 0.000 2.073 1042 M HA -0.049 4.430 4.480 -0.001 0.000 0.258 1042 M C 1.955 178.283 176.300 0.046 0.000 1.070 1042 M CA 2.690 57.977 55.300 -0.021 0.000 1.103 1042 M CB -0.769 31.586 32.600 -0.408 0.000 1.321 1042 M HN 0.809 nan 8.290 nan 0.000 0.405 1043 G N -1.501 107.330 108.800 0.051 0.000 2.479 1043 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.220 1043 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.220 1043 G C 1.169 176.118 174.900 0.082 0.000 1.115 1043 G CA 1.034 46.166 45.100 0.053 0.000 0.757 1043 G HN 0.639 nan 8.290 nan 0.000 0.560 1044 Y N 0.517 120.832 120.300 0.024 0.000 2.262 1044 Y HA 0.363 4.912 4.550 -0.001 0.000 0.295 1044 Y C 0.964 176.886 175.900 0.037 0.000 1.121 1044 Y CA 0.985 59.103 58.100 0.030 0.000 1.144 1044 Y CB 0.498 38.990 38.460 0.053 0.000 1.043 1044 Y HN 0.130 nan 8.280 nan 0.000 0.528 1045 S N -0.047 115.702 115.700 0.083 0.000 2.614 1045 S HA 0.277 4.746 4.470 -0.001 0.000 0.259 1045 S C -0.144 174.527 174.600 0.118 0.000 1.118 1045 S CA -0.786 57.415 58.200 0.002 0.000 1.065 1045 S CB 0.817 64.050 63.200 0.055 0.000 1.121 1045 S HN 0.347 nan 8.310 nan 0.000 0.458 1046 K N 2.597 122.985 120.400 -0.021 0.000 2.097 1046 K HA -0.048 4.271 4.320 -0.001 0.000 0.205 1046 K C 1.936 178.581 176.600 0.075 0.000 1.050 1046 K CA 1.133 57.393 56.287 -0.044 0.000 0.938 1046 K CB -0.011 32.101 32.500 -0.647 0.000 0.718 1046 K HN 0.627 nan 8.250 nan 0.000 0.442 1047 Q N 0.620 120.417 119.800 -0.005 0.000 2.050 1047 Q HA -0.189 4.150 4.340 -0.001 0.000 0.202 1047 Q C 2.334 178.410 176.000 0.126 0.000 0.980 1047 Q CA 1.205 57.028 55.803 0.034 0.000 0.840 1047 Q CB -0.012 28.724 28.738 -0.005 0.000 0.898 1047 Q HN 0.280 nan 8.270 nan 0.000 0.424 1048 Q N 0.147 120.052 119.800 0.175 0.000 2.170 1048 Q HA -0.184 4.155 4.340 -0.001 0.000 0.203 1048 Q C 1.895 178.092 176.000 0.329 0.000 0.976 1048 Q CA 1.121 57.063 55.803 0.232 0.000 0.858 1048 Q CB -0.135 28.764 28.738 0.268 0.000 0.907 1048 Q HN 0.329 nan 8.270 nan 0.000 0.433 1049 F N 1.038 121.132 119.950 0.240 0.000 2.102 1049 F HA -0.161 4.365 4.527 -0.001 0.000 0.298 1049 F C 1.934 177.911 175.800 0.294 0.000 1.105 1049 F CA 1.224 59.415 58.000 0.318 0.000 1.239 1049 F CB -0.636 38.592 39.000 0.380 0.000 0.991 1049 F HN 0.035 nan 8.300 nan 0.000 0.474 1050 L N 0.389 121.620 121.223 0.014 0.000 2.083 1050 L HA -0.228 4.112 4.340 -0.001 0.000 0.209 1050 L C 2.656 179.527 176.870 0.002 0.000 1.083 1050 L CA 1.857 56.632 54.840 -0.108 0.000 0.752 1050 L CB -0.801 41.273 42.059 0.026 0.000 0.899 1050 L HN 0.148 nan 8.230 nan 0.000 0.433 1051 K N 0.169 120.621 120.400 0.085 0.000 2.057 1051 K HA -0.161 4.158 4.320 -0.001 0.000 0.207 1051 K C 2.033 178.724 176.600 0.152 0.000 1.049 1051 K CA 1.424 57.779 56.287 0.112 0.000 0.931 1051 K CB -0.012 32.562 32.500 0.123 0.000 0.714 1051 K HN 0.072 nan 8.250 nan 0.000 0.440 1052 V N 1.959 121.997 119.914 0.205 0.000 2.295 1052 V HA -0.258 3.862 4.120 -0.001 0.000 0.246 1052 V C 2.387 178.614 176.094 0.222 0.000 1.049 1052 V CA 1.584 64.056 62.300 0.287 0.000 1.024 1052 V CB -0.328 31.736 31.823 0.401 0.000 0.648 1052 V HN 0.344 nan 8.190 nan 0.000 0.447 1053 L N -0.529 120.792 121.223 0.163 0.000 1.989 1053 L HA -0.199 4.140 4.340 -0.001 0.000 0.211 1053 L C 2.771 179.845 176.870 0.339 0.000 1.071 1053 L CA 1.599 56.597 54.840 0.263 0.000 0.749 1053 L CB -0.719 41.388 42.059 0.079 0.000 0.890 1053 L HN 0.266 nan 8.230 nan 0.000 0.431 1054 K N 0.274 120.825 120.400 0.252 0.000 2.057 1054 K HA -0.172 4.148 4.320 -0.001 0.000 0.207 1054 K C 1.923 178.595 176.600 0.119 0.000 1.049 1054 K CA 1.418 57.855 56.287 0.249 0.000 0.931 1054 K CB -0.285 32.308 32.500 0.156 0.000 0.714 1054 K HN 0.465 nan 8.250 nan 0.000 0.440 1055 E N 0.379 120.598 120.200 0.031 0.000 2.072 1055 E HA -0.093 4.257 4.350 -0.001 0.000 0.190 1055 E C 2.051 178.360 176.600 -0.485 0.000 0.982 1055 E CA 0.883 57.212 56.400 -0.118 0.000 0.803 1055 E CB -0.059 29.636 29.700 -0.008 0.000 0.755 1055 E HN 0.273 nan 8.360 nan 0.000 0.453 1056 A N 1.657 124.120 122.820 -0.595 0.000 1.873 1056 A HA -0.209 4.111 4.320 -0.001 0.000 0.215 1056 A C 2.157 179.567 177.584 -0.290 0.000 1.186 1056 A CA 1.260 52.886 52.037 -0.684 0.000 0.616 1056 A CB -0.340 18.519 19.000 -0.234 0.000 0.823 1056 A HN 0.095 nan 8.150 nan 0.000 0.442 1057 E N 0.675 120.766 120.200 -0.181 0.000 2.110 1057 E HA -0.144 4.206 4.350 -0.001 0.000 0.193 1057 E C 2.234 178.763 176.600 -0.118 0.000 0.988 1057 E CA 1.600 57.853 56.400 -0.243 0.000 0.804 1057 E CB -0.202 29.256 29.700 -0.403 0.000 0.745 1057 E HN 0.668 nan 8.360 nan 0.000 0.458 1058 S N -0.300 115.386 115.700 -0.023 0.000 2.522 1058 S HA -0.041 4.429 4.470 -0.001 0.000 0.227 1058 S C 0.790 175.421 174.600 0.051 0.000 0.986 1058 S CA -0.460 57.756 58.200 0.028 0.000 0.929 1058 S CB -0.475 62.767 63.200 0.070 0.000 0.769 1058 S HN 0.170 nan 8.310 nan 0.000 0.529 1059 F N 5.514 125.392 119.950 -0.121 0.000 2.543 1059 F HA 0.360 4.887 4.527 -0.001 0.000 0.375 1059 F C -2.351 173.428 175.800 -0.034 0.000 1.075 1059 F CA -2.813 55.153 58.000 -0.057 0.000 1.225 1059 F CB 0.751 39.711 39.000 -0.067 0.000 1.099 1059 F HN 0.032 nan 8.300 nan 0.000 0.561 1060 P HA 0.335 nan 4.420 nan 0.000 0.219 1060 P C -0.299 176.567 177.300 -0.722 0.000 1.832 1060 P CA 0.194 62.996 63.100 -0.498 0.000 1.014 1060 P CB 0.246 31.760 31.700 -0.309 0.000 1.939 1061 G N 2.187 110.582 108.800 -0.676 0.000 2.428 1061 G HA2 0.398 4.358 3.960 -0.001 0.000 0.305 1061 G HA3 0.398 4.358 3.960 -0.001 0.000 0.305 1061 G C -3.576 171.363 174.900 0.065 0.000 1.260 1061 G CA -0.869 44.014 45.100 -0.362 0.000 0.853 1061 G HN -0.082 nan 8.290 nan 0.000 0.480 1062 P HA 0.526 nan 4.420 nan 0.000 0.284 1062 P C -0.808 176.712 177.300 0.367 0.000 1.253 1062 P CA -0.189 63.059 63.100 0.248 0.000 0.800 1062 P CB 1.661 33.458 31.700 0.162 0.000 0.961 1063 S N 1.996 117.823 115.700 0.211 0.000 2.538 1063 S HA 0.624 5.093 4.470 -0.001 0.000 0.288 1063 S C -1.107 173.602 174.600 0.181 0.000 1.108 1063 S CA -0.468 57.861 58.200 0.215 0.000 0.971 1063 S CB 0.885 64.134 63.200 0.082 0.000 1.041 1063 S HN 0.338 nan 8.310 nan 0.000 0.483 1064 L N 3.934 125.307 121.223 0.251 0.000 2.376 1064 L HA 0.746 5.086 4.340 -0.001 0.000 0.275 1064 L C -1.556 175.497 176.870 0.306 0.000 0.987 1064 L CA -0.407 54.578 54.840 0.241 0.000 0.828 1064 L CB 1.427 43.584 42.059 0.162 0.000 1.249 1064 L HN 0.458 nan 8.230 nan 0.000 0.409 1065 V N 6.780 126.909 119.914 0.359 0.000 2.407 1065 V HA 0.489 4.609 4.120 -0.001 0.000 0.291 1065 V C -0.061 176.172 176.094 0.231 0.000 1.018 1065 V CA -0.396 62.150 62.300 0.410 0.000 0.842 1065 V CB 1.573 33.810 31.823 0.689 0.000 0.996 1065 V HN 0.604 nan 8.190 nan 0.000 0.426 1066 I N 4.440 125.116 120.570 0.177 0.000 2.330 1066 I HA 0.705 4.874 4.170 -0.001 0.000 0.289 1066 I C 0.431 176.678 176.117 0.218 0.000 1.001 1066 I CA -0.375 61.004 61.300 0.131 0.000 1.193 1066 I CB 1.616 39.727 38.000 0.185 0.000 1.345 1066 I HN 0.654 nan 8.210 nan 0.000 0.461 1067 A N 5.970 128.742 122.820 -0.080 0.000 2.317 1067 A HA 0.441 4.761 4.320 -0.001 0.000 0.327 1067 A C -1.081 176.332 177.584 -0.285 0.000 1.178 1067 A CA -0.436 51.471 52.037 -0.217 0.000 0.817 1067 A CB 0.633 19.067 19.000 -0.944 0.000 1.189 1067 A HN 0.641 nan 8.150 nan 0.000 0.489 1068 Y N 2.418 122.352 120.300 -0.610 0.000 2.531 1068 Y HA 0.404 4.953 4.550 -0.001 0.000 0.347 1068 Y C 0.384 176.062 175.900 -0.370 0.000 1.024 1068 Y CA 0.142 57.617 58.100 -1.043 0.000 1.306 1068 Y CB 0.253 37.828 38.460 -1.476 0.000 1.149 1068 Y HN 0.776 nan 8.280 nan 0.000 0.527 1069 A N 5.391 127.829 122.820 -0.637 0.000 2.287 1069 A HA 0.513 4.833 4.320 -0.001 0.000 0.317 1069 A C 0.012 177.376 177.584 -0.367 0.000 1.220 1069 A CA -0.393 51.479 52.037 -0.274 0.000 0.835 1069 A CB 0.087 19.003 19.000 -0.142 0.000 1.180 1069 A HN 0.787 nan 8.150 nan 0.000 0.500 1070 T N -1.031 113.430 114.554 -0.155 0.000 2.860 1070 T HA 0.493 4.842 4.350 -0.001 0.000 0.299 1070 T C 0.045 174.711 174.700 -0.057 0.000 1.045 1070 T CA -0.460 61.584 62.100 -0.092 0.000 1.071 1070 T CB 1.027 69.920 68.868 0.041 0.000 0.985 1070 T HN 1.430 nan 8.240 nan 0.000 0.537 1071 C N 3.053 122.329 119.300 -0.040 0.000 3.171 1071 C HA 0.459 4.919 4.460 -0.001 0.000 0.336 1071 C C 1.719 176.705 174.990 -0.006 0.000 1.198 1071 C CA -0.844 58.166 59.018 -0.014 0.000 1.319 1071 C CB -0.070 27.657 27.740 -0.022 0.000 1.682 1071 C HN 1.104 nan 8.230 nan 0.000 0.497 1072 I N 1.531 122.106 120.570 0.007 0.000 2.315 1072 I HA -0.175 3.994 4.170 -0.001 0.000 0.251 1072 I C 1.642 177.753 176.117 -0.010 0.000 1.125 1072 I CA 2.313 63.615 61.300 0.004 0.000 1.392 1072 I CB -0.596 37.412 38.000 0.014 0.000 1.065 1072 I HN 0.788 nan 8.210 nan 0.000 0.424 1073 N N 0.850 119.542 118.700 -0.014 0.000 2.364 1073 N HA -0.173 4.566 4.740 -0.001 0.000 0.183 1073 N C 1.717 177.198 175.510 -0.048 0.000 1.022 1073 N CA 1.043 54.075 53.050 -0.029 0.000 0.883 1073 N CB -0.130 38.342 38.487 -0.024 0.000 0.965 1073 N HN 0.617 nan 8.380 nan 0.000 0.438 1074 Q N -0.052 119.722 119.800 -0.043 0.000 2.435 1074 Q HA 0.085 4.424 4.340 -0.001 0.000 0.207 1074 Q C 0.623 176.594 176.000 -0.048 0.000 0.956 1074 Q CA 0.266 56.036 55.803 -0.054 0.000 0.917 1074 Q CB 0.465 29.188 28.738 -0.026 0.000 0.997 1074 Q HN 0.331 nan 8.270 nan 0.000 0.497 1075 G N 1.891 110.670 108.800 -0.034 0.000 2.370 1075 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.295 1075 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.295 1075 G C -0.290 174.597 174.900 -0.022 0.000 1.045 1075 G CA -0.284 44.800 45.100 -0.028 0.000 1.199 1075 G HN 0.241 nan 8.290 nan 0.000 0.513 1076 L N 1.227 122.442 121.223 -0.014 0.000 2.500 1076 L HA 0.124 4.463 4.340 -0.001 0.000 0.272 1076 L C 2.191 179.055 176.870 -0.011 0.000 1.149 1076 L CA -0.601 54.231 54.840 -0.013 0.000 0.897 1076 L CB 0.325 42.386 42.059 0.004 0.000 1.178 1076 L HN 0.343 nan 8.230 nan 0.000 0.473 1077 R N 2.874 123.363 120.500 -0.017 0.000 2.117 1077 R HA -0.169 4.170 4.340 -0.001 0.000 0.243 1077 R C 1.098 177.395 176.300 -0.005 0.000 1.143 1077 R CA 1.576 57.668 56.100 -0.012 0.000 0.968 1077 R CB -0.168 30.123 30.300 -0.016 0.000 0.863 1077 R HN 0.521 nan 8.270 nan 0.000 0.444 1078 K N -0.411 119.988 120.400 -0.001 0.000 2.397 1078 K HA 0.226 4.546 4.320 -0.001 0.000 0.202 1078 K C 0.037 176.642 176.600 0.008 0.000 1.022 1078 K CA 0.346 56.636 56.287 0.004 0.000 1.141 1078 K CB 1.126 33.630 32.500 0.007 0.000 0.857 1078 K HN 0.345 nan 8.250 nan 0.000 0.514 1079 G N 0.569 109.374 108.800 0.007 0.000 2.619 1079 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.686 1079 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.686 1079 G C 0.187 175.096 174.900 0.016 0.000 1.256 1079 G CA -0.871 44.235 45.100 0.011 0.000 0.826 1079 G HN -0.076 nan 8.290 nan 0.000 0.619 1080 M N 1.077 120.688 119.600 0.018 0.000 2.557 1080 M HA 0.035 4.515 4.480 -0.001 0.000 0.259 1080 M C 2.513 178.829 176.300 0.025 0.000 1.086 1080 M CA 1.763 57.077 55.300 0.023 0.000 1.096 1080 M CB -0.946 31.669 32.600 0.024 0.000 1.424 1080 M HN 1.023 nan 8.290 nan 0.000 0.488 1081 G N 0.217 109.030 108.800 0.023 0.000 2.708 1081 G HA2 -0.138 3.822 3.960 -0.001 0.000 0.210 1081 G HA3 -0.138 3.822 3.960 -0.001 0.000 0.210 1081 G C 1.470 176.386 174.900 0.025 0.000 1.141 1081 G CA 0.348 45.462 45.100 0.023 0.000 0.788 1081 G HN 0.360 nan 8.290 nan 0.000 0.531 1082 K N 0.514 120.931 120.400 0.029 0.000 2.399 1082 K HA 0.213 4.532 4.320 -0.001 0.000 0.204 1082 K C 1.852 178.483 176.600 0.050 0.000 1.023 1082 K CA -0.068 56.240 56.287 0.035 0.000 1.127 1082 K CB 0.647 33.166 32.500 0.032 0.000 0.856 1082 K HN 0.128 nan 8.250 nan 0.000 0.514 1083 S N 1.786 117.516 115.700 0.049 0.000 2.353 1083 S HA -0.176 4.294 4.470 -0.001 0.000 0.222 1083 S C 1.814 176.460 174.600 0.078 0.000 1.035 1083 S CA 1.309 59.551 58.200 0.070 0.000 1.025 1083 S CB -0.001 63.228 63.200 0.048 0.000 0.902 1083 S HN 0.317 nan 8.310 nan 0.000 0.440 1084 Q N 0.903 120.730 119.800 0.045 0.000 2.077 1084 Q HA -0.187 4.153 4.340 -0.001 0.000 0.206 1084 Q C 1.964 177.997 176.000 0.055 0.000 0.989 1084 Q CA 1.711 57.536 55.803 0.037 0.000 0.853 1084 Q CB -0.870 27.877 28.738 0.015 0.000 0.907 1084 Q HN 0.553 nan 8.270 nan 0.000 0.418 1085 D N -0.218 120.214 120.400 0.053 0.000 2.144 1085 D HA -0.109 4.531 4.640 -0.001 0.000 0.199 1085 D C 1.882 178.236 176.300 0.090 0.000 0.984 1085 D CA 0.748 54.783 54.000 0.059 0.000 0.834 1085 D CB 0.159 40.988 40.800 0.048 0.000 0.955 1085 D HN 0.021 nan 8.370 nan 0.000 0.465 1086 V N 0.266 120.249 119.914 0.115 0.000 2.358 1086 V HA -0.232 3.888 4.120 -0.001 0.000 0.246 1086 V C 2.510 178.705 176.094 0.169 0.000 1.047 1086 V CA 1.571 63.984 62.300 0.189 0.000 1.035 1086 V CB -0.427 31.511 31.823 0.191 0.000 0.658 1086 V HN 0.320 nan 8.190 nan 0.000 0.452 1087 M N -0.202 119.477 119.600 0.131 0.000 2.159 1087 M HA -0.196 4.283 4.480 -0.001 0.000 0.263 1087 M C 2.154 178.463 176.300 0.014 0.000 1.063 1087 M CA 1.974 57.305 55.300 0.052 0.000 1.110 1087 M CB -0.709 31.971 32.600 0.134 0.000 1.374 1087 M HN 0.474 nan 8.290 nan 0.000 0.411 1088 N N -0.442 118.307 118.700 0.082 0.000 2.058 1088 N HA -0.160 4.580 4.740 -0.001 0.000 0.191 1088 N C 1.363 176.923 175.510 0.084 0.000 1.037 1088 N CA 1.857 54.992 53.050 0.141 0.000 0.848 1088 N CB 0.123 38.665 38.487 0.092 0.000 1.021 1088 N HN 0.241 nan 8.380 nan 0.000 0.422 1089 T N 0.595 115.160 114.554 0.018 0.000 2.788 1089 T HA -0.073 4.276 4.350 -0.001 0.000 0.268 1089 T C 1.920 176.376 174.700 -0.406 0.000 1.044 1089 T CA 1.076 63.132 62.100 -0.074 0.000 1.139 1089 T CB -0.401 68.519 68.868 0.088 0.000 0.867 1089 T HN 0.424 nan 8.240 nan 0.000 0.454 1090 A N 0.891 123.375 122.820 -0.560 0.000 1.948 1090 A HA -0.100 4.220 4.320 -0.001 0.000 0.220 1090 A C 2.541 179.864 177.584 -0.435 0.000 1.177 1090 A CA 1.657 53.126 52.037 -0.947 0.000 0.636 1090 A CB -0.899 17.534 19.000 -0.946 0.000 0.815 1090 A HN 0.398 nan 8.150 nan 0.000 0.449 1091 V N -0.409 119.342 119.914 -0.272 0.000 2.379 1091 V HA -0.161 3.959 4.120 -0.001 0.000 0.243 1091 V C 2.329 178.260 176.094 -0.272 0.000 1.035 1091 V CA 1.950 64.087 62.300 -0.272 0.000 1.035 1091 V CB -0.608 30.855 31.823 -0.600 0.000 0.673 1091 V HN 0.504 nan 8.190 nan 0.000 0.457 1092 K N 1.300 121.608 120.400 -0.153 0.000 2.103 1092 K HA -0.164 4.156 4.320 -0.001 0.000 0.207 1092 K C 2.281 178.795 176.600 -0.142 0.000 1.048 1092 K CA 1.819 58.061 56.287 -0.076 0.000 0.930 1092 K CB -0.384 32.135 32.500 0.031 0.000 0.716 1092 K HN 0.623 nan 8.250 nan 0.000 0.444 1093 S N -0.472 115.110 115.700 -0.197 0.000 2.474 1093 S HA -0.007 4.462 4.470 -0.001 0.000 0.235 1093 S C 1.536 176.041 174.600 -0.159 0.000 0.997 1093 S CA 0.786 58.875 58.200 -0.184 0.000 0.949 1093 S CB -0.086 62.949 63.200 -0.274 0.000 0.766 1093 S HN 0.490 nan 8.310 nan 0.000 0.517 1094 G N 0.127 108.826 108.800 -0.167 0.000 2.176 1094 G HA2 -0.373 3.586 3.960 -0.001 0.000 0.253 1094 G HA3 -0.373 3.586 3.960 -0.001 0.000 0.253 1094 G C 0.305 175.202 174.900 -0.005 0.000 0.979 1094 G CA 0.367 45.390 45.100 -0.129 0.000 0.641 1094 G HN 0.595 nan 8.290 nan 0.000 0.530 1095 Y N -0.463 119.736 120.300 -0.169 0.000 2.200 1095 Y HA 0.219 4.769 4.550 -0.001 0.000 0.290 1095 Y C 1.343 177.284 175.900 0.067 0.000 1.137 1095 Y CA 1.834 59.883 58.100 -0.086 0.000 1.163 1095 Y CB 0.215 38.495 38.460 -0.299 0.000 0.988 1095 Y HN 0.343 nan 8.280 nan 0.000 0.518 1096 W N 4.793 126.042 121.300 -0.085 0.000 2.319 1096 W HA 0.314 4.974 4.660 -0.001 0.000 0.288 1096 W C -2.939 173.527 176.519 -0.089 0.000 0.959 1096 W CA -2.256 55.034 57.345 -0.091 0.000 1.784 1096 W CB 0.734 30.134 29.460 -0.100 0.000 1.848 1096 W HN -0.019 nan 8.180 nan 0.000 0.408 1097 P HA 0.100 nan 4.420 nan 0.000 0.271 1097 P C -0.407 176.831 177.300 -0.103 0.000 1.216 1097 P CA 0.333 63.477 63.100 0.073 0.000 0.776 1097 P CB 1.794 33.693 31.700 0.331 0.000 0.881 1098 L N 4.089 125.279 121.223 -0.055 0.000 2.309 1098 L HA 0.585 4.924 4.340 -0.001 0.000 0.282 1098 L C 0.276 177.104 176.870 -0.071 0.000 1.036 1098 L CA -0.637 54.100 54.840 -0.172 0.000 0.806 1098 L CB 0.495 42.547 42.059 -0.012 0.000 1.220 1098 L HN 0.454 nan 8.230 nan 0.000 0.429 1099 F N 0.421 120.347 119.950 -0.040 0.000 2.831 1099 F HA 0.757 5.284 4.527 -0.001 0.000 0.318 1099 F C -1.137 174.548 175.800 -0.192 0.000 1.174 1099 F CA -1.436 56.439 58.000 -0.208 0.000 0.918 1099 F CB 1.585 40.388 39.000 -0.328 0.000 1.364 1099 F HN 0.219 nan 8.300 nan 0.000 0.475 1100 R N 0.293 120.769 120.500 -0.041 0.000 2.548 1100 R HA 0.400 4.739 4.340 -0.001 0.000 0.280 1100 R C -2.444 173.685 176.300 -0.286 0.000 1.061 1100 R CA -0.864 55.152 56.100 -0.141 0.000 0.915 1100 R CB 2.618 32.846 30.300 -0.120 0.000 1.210 1100 R HN 0.833 nan 8.270 nan 0.000 0.442 1101 Y N 2.377 122.408 120.300 -0.448 0.000 2.388 1101 Y HA 0.268 4.817 4.550 -0.001 0.000 0.328 1101 Y C -1.003 174.537 175.900 -0.601 0.000 0.963 1101 Y CA -0.634 57.256 58.100 -0.349 0.000 1.240 1101 Y CB 1.086 39.465 38.460 -0.134 0.000 1.118 1101 Y HN 0.453 nan 8.280 nan 0.000 0.484 1102 D N 8.451 128.446 120.400 -0.674 0.000 2.453 1102 D HA 0.316 4.956 4.640 -0.001 0.000 0.238 1102 D C -2.202 173.877 176.300 -0.369 0.000 1.088 1102 D CA -2.493 51.256 54.000 -0.418 0.000 0.854 1102 D CB 2.233 42.955 40.800 -0.130 0.000 1.076 1102 D HN 0.312 nan 8.370 nan 0.000 0.533 1103 P HA -0.128 nan 4.420 nan 0.000 0.221 1103 P C 1.238 178.612 177.300 0.124 0.000 1.145 1103 P CA 0.942 64.065 63.100 0.039 0.000 0.795 1103 P CB 0.159 32.129 31.700 0.449 0.000 0.775 1104 R N -0.511 120.109 120.500 0.201 0.000 2.189 1104 R HA 0.027 4.366 4.340 -0.001 0.000 0.218 1104 R C 1.950 178.276 176.300 0.043 0.000 1.074 1104 R CA 0.897 57.110 56.100 0.188 0.000 0.991 1104 R CB -1.459 28.997 30.300 0.259 0.000 0.883 1104 R HN 0.244 nan 8.270 nan 0.000 0.457 1105 L N 1.225 122.415 121.223 -0.055 0.000 2.046 1105 L HA -0.088 4.251 4.340 -0.001 0.000 0.208 1105 L C 2.825 179.591 176.870 -0.172 0.000 1.077 1105 L CA 1.365 56.129 54.840 -0.126 0.000 0.747 1105 L CB -0.512 41.417 42.059 -0.217 0.000 0.896 1105 L HN 0.313 nan 8.230 nan 0.000 0.432 1106 A N -0.120 122.559 122.820 -0.235 0.000 1.972 1106 A HA -0.132 4.187 4.320 -0.001 0.000 0.219 1106 A C 2.434 180.001 177.584 -0.028 0.000 1.169 1106 A CA 1.480 53.396 52.037 -0.201 0.000 0.635 1106 A CB -0.600 18.262 19.000 -0.230 0.000 0.810 1106 A HN 0.402 nan 8.150 nan 0.000 0.446 1107 A N -0.135 122.679 122.820 -0.009 0.000 2.178 1107 A HA -0.087 4.232 4.320 -0.001 0.000 0.218 1107 A C 1.713 179.326 177.584 0.048 0.000 1.157 1107 A CA 1.355 53.422 52.037 0.050 0.000 0.689 1107 A CB -0.424 18.640 19.000 0.107 0.000 0.787 1107 A HN 0.789 nan 8.150 nan 0.000 0.465 1108 Q N -2.474 117.342 119.800 0.027 0.000 2.155 1108 Q HA 0.453 4.793 4.340 -0.001 0.000 0.273 1108 Q C 0.762 176.783 176.000 0.035 0.000 0.857 1108 Q CA 0.210 56.031 55.803 0.029 0.000 1.116 1108 Q CB -0.112 28.638 28.738 0.019 0.000 1.209 1108 Q HN 0.726 nan 8.270 nan 0.000 0.460 1109 G N 1.419 110.266 108.800 0.077 0.000 2.245 1109 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.264 1109 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.264 1109 G C 0.074 175.073 174.900 0.164 0.000 0.985 1109 G CA 0.584 45.780 45.100 0.159 0.000 0.625 1109 G HN 0.370 nan 8.290 nan 0.000 0.536 1110 K N 0.412 120.772 120.400 -0.066 0.000 2.098 1110 K HA 0.372 4.691 4.320 -0.001 0.000 0.257 1110 K C 0.133 176.286 176.600 -0.745 0.000 0.999 1110 K CA -0.771 55.378 56.287 -0.229 0.000 0.924 1110 K CB 0.516 32.918 32.500 -0.164 0.000 1.028 1110 K HN 0.110 nan 8.250 nan 0.000 0.466 1111 N N 3.123 121.361 118.700 -0.769 0.000 2.438 1111 N HA -0.007 4.732 4.740 -0.001 0.000 0.267 1111 N C -1.631 173.479 175.510 -0.666 0.000 1.222 1111 N CA -1.695 50.763 53.050 -0.986 0.000 0.930 1111 N CB 0.694 38.934 38.487 -0.412 0.000 1.083 1111 N HN 0.327 nan 8.380 nan 0.000 0.476 1112 P HA -0.116 nan 4.420 nan 0.000 0.220 1112 P C 0.232 177.138 177.300 -0.656 0.000 1.148 1112 P CA 0.705 63.353 63.100 -0.753 0.000 0.803 1112 P CB 0.075 31.114 31.700 -1.103 0.000 0.782 1113 F N 1.706 121.333 119.950 -0.538 0.000 2.420 1113 F HA 0.296 4.822 4.527 -0.001 0.000 0.352 1113 F C 0.069 175.750 175.800 -0.197 0.000 1.108 1113 F CA -0.230 57.611 58.000 -0.265 0.000 1.162 1113 F CB 0.623 39.552 39.000 -0.118 0.000 1.118 1113 F HN -0.156 nan 8.300 nan 0.000 0.510 1114 Q N 6.203 125.436 119.800 -0.945 0.000 2.305 1114 Q HA 0.436 4.775 4.340 -0.001 0.000 0.271 1114 Q C -1.288 174.333 176.000 -0.632 0.000 1.046 1114 Q CA -0.784 54.673 55.803 -0.575 0.000 0.798 1114 Q CB 2.768 31.326 28.738 -0.300 0.000 1.286 1114 Q HN 0.671 nan 8.270 nan 0.000 0.435 1115 L N 2.261 123.280 121.223 -0.339 0.000 2.349 1115 L HA 0.216 4.555 4.340 -0.001 0.000 0.275 1115 L C 0.090 176.951 176.870 -0.014 0.000 1.115 1115 L CA 0.180 54.942 54.840 -0.129 0.000 0.820 1115 L CB 0.770 42.813 42.059 -0.028 0.000 1.135 1115 L HN 0.781 nan 8.230 nan 0.000 0.445 1116 D N 0.291 120.727 120.400 0.061 0.000 2.469 1116 D HA 0.095 4.734 4.640 -0.001 0.000 0.213 1116 D C 0.129 176.537 176.300 0.179 0.000 1.135 1116 D CA 0.287 54.353 54.000 0.110 0.000 0.834 1116 D CB 0.760 41.630 40.800 0.116 0.000 1.009 1116 D HN 0.530 nan 8.370 nan 0.000 0.507 1117 S N -1.010 114.795 115.700 0.176 0.000 2.667 1117 S HA 0.627 5.096 4.470 -0.001 0.000 0.292 1117 S C -0.247 174.520 174.600 0.277 0.000 1.126 1117 S CA -0.858 57.437 58.200 0.158 0.000 0.881 1117 S CB 2.746 65.889 63.200 -0.096 0.000 1.132 1117 S HN -0.216 nan 8.310 nan 0.000 0.492 1118 K N 0.276 120.770 120.400 0.156 0.000 2.168 1118 K HA 0.727 5.046 4.320 -0.001 0.000 0.239 1118 K C 0.213 176.598 176.600 -0.358 0.000 0.999 1118 K CA -0.758 55.583 56.287 0.089 0.000 0.900 1118 K CB 1.149 33.682 32.500 0.054 0.000 1.111 1118 K HN 0.843 nan 8.250 nan 0.000 0.452 1119 A N 2.048 124.556 122.820 -0.521 0.000 2.547 1119 A HA 0.119 4.438 4.320 -0.001 0.000 0.233 1119 A C -2.156 175.031 177.584 -0.662 0.000 1.067 1119 A CA -0.676 50.720 52.037 -1.067 0.000 0.763 1119 A CB -0.801 17.964 19.000 -0.392 0.000 1.007 1119 A HN 0.386 nan 8.150 nan 0.000 0.506 1120 P HA -0.000 nan 4.420 nan 0.000 0.261 1120 P C -0.279 176.903 177.300 -0.197 0.000 1.173 1120 P CA 0.652 63.560 63.100 -0.319 0.000 0.760 1120 P CB 0.422 31.986 31.700 -0.226 0.000 0.783 1121 D N 2.193 122.509 120.400 -0.139 0.000 2.325 1121 D HA 0.098 4.737 4.640 -0.001 0.000 0.225 1121 D C 1.307 177.574 176.300 -0.055 0.000 1.096 1121 D CA 0.169 54.119 54.000 -0.083 0.000 0.844 1121 D CB -0.672 40.093 40.800 -0.058 0.000 0.925 1121 D HN 0.536 nan 8.370 nan 0.000 0.513 1122 G N 0.351 109.117 108.800 -0.056 0.000 2.159 1122 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.256 1122 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.256 1122 G C 0.959 175.849 174.900 -0.016 0.000 0.977 1122 G CA 0.633 45.715 45.100 -0.030 0.000 0.652 1122 G HN 0.728 nan 8.290 nan 0.000 0.531 1123 S N -0.930 114.758 115.700 -0.020 0.000 2.577 1123 S HA 0.369 4.838 4.470 -0.001 0.000 0.219 1123 S C 1.989 176.606 174.600 0.028 0.000 0.962 1123 S CA 1.052 59.253 58.200 0.002 0.000 0.921 1123 S CB 1.011 64.212 63.200 0.001 0.000 0.789 1123 S HN 1.182 nan 8.310 nan 0.000 0.497 1124 V N 2.051 121.974 119.914 0.015 0.000 2.324 1124 V HA -0.245 3.874 4.120 -0.001 0.000 0.250 1124 V C 2.612 178.750 176.094 0.073 0.000 1.060 1124 V CA 2.813 65.148 62.300 0.059 0.000 1.042 1124 V CB -0.657 31.197 31.823 0.052 0.000 0.650 1124 V HN 0.676 nan 8.190 nan 0.000 0.450 1125 E N 0.857 121.073 120.200 0.027 0.000 2.058 1125 E HA -0.263 4.087 4.350 -0.001 0.000 0.194 1125 E C 2.181 178.776 176.600 -0.009 0.000 0.997 1125 E CA 2.183 58.582 56.400 -0.002 0.000 0.801 1125 E CB -0.476 29.228 29.700 0.006 0.000 0.746 1125 E HN 0.859 nan 8.360 nan 0.000 0.450 1126 E N -0.150 120.061 120.200 0.018 0.000 2.204 1126 E HA -0.189 4.160 4.350 -0.001 0.000 0.194 1126 E C 2.131 178.736 176.600 0.008 0.000 0.989 1126 E CA 0.836 57.243 56.400 0.011 0.000 0.824 1126 E CB -0.687 29.028 29.700 0.024 0.000 0.756 1126 E HN 0.415 nan 8.360 nan 0.000 0.477 1127 F N 2.472 122.354 119.950 -0.113 0.000 2.102 1127 F HA -0.098 4.429 4.527 -0.001 0.000 0.298 1127 F C 2.102 177.778 175.800 -0.207 0.000 1.105 1127 F CA 1.294 59.199 58.000 -0.158 0.000 1.239 1127 F CB -0.285 38.588 39.000 -0.211 0.000 0.991 1127 F HN -0.121 nan 8.300 nan 0.000 0.474 1128 L N -0.563 120.405 121.223 -0.425 0.000 2.005 1128 L HA -0.234 4.105 4.340 -0.001 0.000 0.207 1128 L C 2.489 179.190 176.870 -0.282 0.000 1.072 1128 L CA 1.032 55.472 54.840 -0.667 0.000 0.744 1128 L CB -0.776 40.857 42.059 -0.710 0.000 0.895 1128 L HN 0.144 nan 8.230 nan 0.000 0.433 1129 M N -0.214 119.297 119.600 -0.149 0.000 2.435 1129 M HA -0.113 4.366 4.480 -0.001 0.000 0.262 1129 M C 2.036 178.306 176.300 -0.050 0.000 1.065 1129 M CA 1.144 56.415 55.300 -0.049 0.000 1.076 1129 M CB -1.282 31.302 32.600 -0.028 0.000 1.403 1129 M HN 0.277 nan 8.290 nan 0.000 0.454 1130 A N -0.447 122.310 122.820 -0.106 0.000 2.251 1130 A HA 0.088 4.407 4.320 -0.001 0.000 0.209 1130 A C 0.566 178.097 177.584 -0.089 0.000 1.187 1130 A CA 0.092 52.077 52.037 -0.088 0.000 0.823 1130 A CB -0.074 18.870 19.000 -0.093 0.000 0.846 1130 A HN 0.517 nan 8.150 nan 0.000 0.486 1131 Q N -0.972 118.788 119.800 -0.067 0.000 2.337 1131 Q HA 0.245 4.584 4.340 -0.001 0.000 0.270 1131 Q C -0.033 175.987 176.000 0.034 0.000 1.043 1131 Q CA -0.613 55.180 55.803 -0.016 0.000 0.794 1131 Q CB 1.528 30.271 28.738 0.009 0.000 1.281 1131 Q HN 0.332 nan 8.270 nan 0.000 0.446 1132 N N 1.889 120.585 118.700 -0.007 0.000 2.166 1132 N HA -0.199 4.541 4.740 -0.001 0.000 0.186 1132 N C 1.478 176.961 175.510 -0.044 0.000 1.019 1132 N CA 1.581 54.621 53.050 -0.017 0.000 0.856 1132 N CB 0.226 38.694 38.487 -0.031 0.000 0.993 1132 N HN 0.537 nan 8.380 nan 0.000 0.426 1133 R N -1.451 118.982 120.500 -0.112 0.000 2.303 1133 R HA -0.106 4.234 4.340 -0.001 0.000 0.225 1133 R C 0.938 177.002 176.300 -0.393 0.000 1.114 1133 R CA 1.377 57.317 56.100 -0.267 0.000 1.007 1133 R CB -0.524 29.547 30.300 -0.382 0.000 0.861 1133 R HN 0.301 nan 8.270 nan 0.000 0.471 1134 F N -0.160 119.772 119.950 -0.030 0.000 2.557 1134 F HA 0.394 4.920 4.527 -0.001 0.000 0.278 1134 F C 2.598 178.391 175.800 -0.012 0.000 1.051 1134 F CA 0.182 58.174 58.000 -0.014 0.000 1.357 1134 F CB -0.074 38.900 39.000 -0.043 0.000 1.104 1134 F HN 0.048 nan 8.300 nan 0.000 0.654 1135 A N 0.665 123.577 122.820 0.154 0.000 1.933 1135 A HA -0.155 4.165 4.320 -0.001 0.000 0.218 1135 A C 2.189 179.793 177.584 0.034 0.000 1.175 1135 A CA 2.182 54.262 52.037 0.072 0.000 0.628 1135 A CB -1.336 17.684 19.000 0.034 0.000 0.814 1135 A HN 0.246 nan 8.150 nan 0.000 0.444 1136 V N -1.937 117.984 119.914 0.012 0.000 2.392 1136 V HA -0.239 3.880 4.120 -0.001 0.000 0.249 1136 V C 2.335 178.422 176.094 -0.013 0.000 1.059 1136 V CA 1.914 64.203 62.300 -0.018 0.000 1.051 1136 V CB -1.178 30.628 31.823 -0.029 0.000 0.658 1136 V HN 0.359 nan 8.190 nan 0.000 0.455 1137 L N 1.358 122.611 121.223 0.050 0.000 2.046 1137 L HA -0.120 4.220 4.340 -0.001 0.000 0.208 1137 L C 2.224 179.142 176.870 0.079 0.000 1.077 1137 L CA 2.502 57.413 54.840 0.118 0.000 0.747 1137 L CB -0.871 41.293 42.059 0.174 0.000 0.896 1137 L HN 0.465 nan 8.230 nan 0.000 0.432 1138 D N -0.904 119.536 120.400 0.068 0.000 2.123 1138 D HA -0.203 4.436 4.640 -0.001 0.000 0.196 1138 D C 2.249 178.542 176.300 -0.011 0.000 0.992 1138 D CA 1.367 55.395 54.000 0.046 0.000 0.833 1138 D CB 0.066 40.894 40.800 0.047 0.000 0.954 1138 D HN 0.272 nan 8.370 nan 0.000 0.455 1139 R N -0.484 119.989 120.500 -0.046 0.000 2.148 1139 R HA 0.077 4.417 4.340 -0.001 0.000 0.223 1139 R C 2.178 178.369 176.300 -0.181 0.000 1.088 1139 R CA 1.029 57.077 56.100 -0.087 0.000 0.985 1139 R CB 0.044 30.297 30.300 -0.078 0.000 0.880 1139 R HN 0.092 nan 8.270 nan 0.000 0.451 1140 S N -0.324 115.196 115.700 -0.300 0.000 2.468 1140 S HA 0.146 4.615 4.470 -0.001 0.000 0.226 1140 S C 0.245 174.246 174.600 -0.999 0.000 1.051 1140 S CA 0.478 58.254 58.200 -0.707 0.000 0.943 1140 S CB 0.395 63.025 63.200 -0.950 0.000 0.810 1140 S HN 0.139 nan 8.310 nan 0.000 0.509 1141 F N 1.524 121.485 119.950 0.019 0.000 2.646 1141 F HA 0.343 4.869 4.527 -0.001 0.000 0.336 1141 F C -1.979 173.838 175.800 0.028 0.000 1.437 1141 F CA -1.889 56.125 58.000 0.023 0.000 1.142 1141 F CB 1.237 40.252 39.000 0.025 0.000 1.530 1141 F HN -0.011 nan 8.300 nan 0.000 0.591 1142 P HA -0.281 nan 4.420 nan 0.000 0.216 1142 P C 1.385 178.740 177.300 0.090 0.000 1.154 1142 P CA 2.015 65.158 63.100 0.072 0.000 0.865 1142 P CB 0.304 32.024 31.700 0.033 0.000 0.789 1143 E N 1.036 121.298 120.200 0.103 0.000 2.017 1143 E HA -0.209 4.140 4.350 -0.001 0.000 0.193 1143 E C 1.625 178.280 176.600 0.092 0.000 0.997 1143 E CA 1.531 57.983 56.400 0.087 0.000 0.804 1143 E CB -1.515 28.235 29.700 0.083 0.000 0.757 1143 E HN 0.265 nan 8.360 nan 0.000 0.448 1144 D N 1.463 121.934 120.400 0.119 0.000 2.144 1144 D HA -0.026 4.614 4.640 -0.001 0.000 0.200 1144 D C 2.016 178.385 176.300 0.116 0.000 0.978 1144 D CA 1.620 55.680 54.000 0.100 0.000 0.833 1144 D CB -0.208 40.643 40.800 0.084 0.000 0.961 1144 D HN 0.350 nan 8.370 nan 0.000 0.470 1145 A N 1.720 124.629 122.820 0.148 0.000 1.908 1145 A HA -0.247 4.072 4.320 -0.001 0.000 0.218 1145 A C 2.128 179.779 177.584 0.113 0.000 1.181 1145 A CA 1.989 54.113 52.037 0.146 0.000 0.627 1145 A CB -0.555 18.532 19.000 0.145 0.000 0.818 1145 A HN 0.194 nan 8.150 nan 0.000 0.445 1146 K N -0.589 119.864 120.400 0.089 0.000 2.032 1146 K HA -0.184 4.135 4.320 -0.001 0.000 0.209 1146 K C 2.317 178.958 176.600 0.067 0.000 1.048 1146 K CA 1.549 57.877 56.287 0.068 0.000 0.927 1146 K CB -0.261 32.271 32.500 0.054 0.000 0.712 1146 K HN 0.394 nan 8.250 nan 0.000 0.441 1147 R N 0.388 120.928 120.500 0.066 0.000 2.096 1147 R HA -0.122 4.218 4.340 -0.001 0.000 0.240 1147 R C 2.443 178.785 176.300 0.071 0.000 1.139 1147 R CA 1.950 58.084 56.100 0.057 0.000 0.952 1147 R CB -0.380 29.950 30.300 0.050 0.000 0.854 1147 R HN 0.263 nan 8.270 nan 0.000 0.436 1148 L N -0.136 121.143 121.223 0.093 0.000 2.093 1148 L HA -0.162 4.177 4.340 -0.001 0.000 0.208 1148 L C 2.547 179.495 176.870 0.129 0.000 1.085 1148 L CA 1.285 56.196 54.840 0.119 0.000 0.755 1148 L CB -0.302 41.846 42.059 0.149 0.000 0.904 1148 L HN 0.160 nan 8.230 nan 0.000 0.435 1149 R N -0.197 120.369 120.500 0.110 0.000 2.115 1149 R HA -0.043 4.296 4.340 -0.001 0.000 0.226 1149 R C 2.382 178.727 176.300 0.074 0.000 1.100 1149 R CA 1.109 57.255 56.100 0.077 0.000 0.980 1149 R CB -0.349 29.977 30.300 0.043 0.000 0.875 1149 R HN 0.331 nan 8.270 nan 0.000 0.445 1150 A N 0.927 123.791 122.820 0.074 0.000 1.968 1150 A HA -0.189 4.131 4.320 -0.001 0.000 0.217 1150 A C 2.065 179.711 177.584 0.103 0.000 1.169 1150 A CA 0.975 53.057 52.037 0.076 0.000 0.638 1150 A CB -0.321 18.713 19.000 0.057 0.000 0.812 1150 A HN 0.301 nan 8.150 nan 0.000 0.446 1151 Q N -0.321 119.538 119.800 0.097 0.000 2.119 1151 Q HA -0.112 4.228 4.340 -0.001 0.000 0.201 1151 Q C 1.919 178.010 176.000 0.152 0.000 0.972 1151 Q CA 1.707 57.577 55.803 0.112 0.000 0.847 1151 Q CB -0.161 28.629 28.738 0.087 0.000 0.903 1151 Q HN 0.404 nan 8.270 nan 0.000 0.433 1152 V N 0.740 120.740 119.914 0.144 0.000 2.343 1152 V HA -0.269 3.851 4.120 -0.001 0.000 0.247 1152 V C 2.293 178.469 176.094 0.137 0.000 1.051 1152 V CA 1.798 64.191 62.300 0.156 0.000 1.036 1152 V CB -0.882 31.048 31.823 0.179 0.000 0.654 1152 V HN 0.514 nan 8.190 nan 0.000 0.451 1153 A N -1.184 121.708 122.820 0.121 0.000 1.933 1153 A HA -0.279 4.040 4.320 -0.001 0.000 0.218 1153 A C 2.251 179.889 177.584 0.089 0.000 1.175 1153 A CA 1.910 54.003 52.037 0.093 0.000 0.628 1153 A CB -0.806 18.239 19.000 0.076 0.000 0.814 1153 A HN 0.697 nan 8.150 nan 0.000 0.444 1154 H N -0.020 119.075 119.070 0.042 0.000 2.363 1154 H HA -0.064 4.491 4.556 -0.001 0.000 0.301 1154 H C 1.898 177.248 175.328 0.036 0.000 1.074 1154 H CA 1.747 57.816 56.048 0.035 0.000 1.354 1154 H CB 0.038 29.818 29.762 0.031 0.000 1.397 1154 H HN 0.663 nan 8.280 nan 0.000 0.516 1155 E N 0.562 120.839 120.200 0.129 0.000 2.038 1155 E HA -0.188 4.161 4.350 -0.001 0.000 0.195 1155 E C 2.509 179.110 176.600 0.002 0.000 1.000 1155 E CA 1.568 58.010 56.400 0.071 0.000 0.803 1155 E CB -0.189 29.564 29.700 0.088 0.000 0.750 1155 E HN 0.421 nan 8.360 nan 0.000 0.448 1156 L N 0.561 121.796 121.223 0.019 0.000 2.079 1156 L HA -0.124 4.215 4.340 -0.001 0.000 0.210 1156 L C 1.916 178.799 176.870 0.022 0.000 1.081 1156 L CA 2.189 57.040 54.840 0.018 0.000 0.752 1156 L CB -0.793 41.286 42.059 0.033 0.000 0.896 1156 L HN -0.057 nan 8.230 nan 0.000 0.433 1157 D N 0.084 120.463 120.400 -0.035 0.000 2.117 1157 D HA -0.165 4.474 4.640 -0.001 0.000 0.197 1157 D C 1.989 178.258 176.300 -0.052 0.000 0.987 1157 D CA 1.490 55.459 54.000 -0.052 0.000 0.829 1157 D CB 0.002 40.727 40.800 -0.125 0.000 0.961 1157 D HN 0.160 nan 8.370 nan 0.000 0.460 1158 V N 0.224 120.049 119.914 -0.147 0.000 2.270 1158 V HA -0.198 3.921 4.120 -0.001 0.000 0.245 1158 V C 2.611 178.680 176.094 -0.041 0.000 1.043 1158 V CA 1.992 64.224 62.300 -0.114 0.000 1.014 1158 V CB -0.602 31.138 31.823 -0.138 0.000 0.645 1158 V HN 0.198 nan 8.190 nan 0.000 0.447 1159 R N -0.681 119.803 120.500 -0.027 0.000 2.096 1159 R HA -0.253 4.086 4.340 -0.001 0.000 0.240 1159 R C 2.208 178.500 176.300 -0.012 0.000 1.139 1159 R CA 2.368 58.449 56.100 -0.031 0.000 0.952 1159 R CB -0.540 29.747 30.300 -0.022 0.000 0.854 1159 R HN 0.451 nan 8.270 nan 0.000 0.436 1160 F N 1.268 121.183 119.950 -0.058 0.000 2.161 1160 F HA -0.164 4.362 4.527 -0.001 0.000 0.300 1160 F C 1.941 177.725 175.800 -0.027 0.000 1.089 1160 F CA 1.732 59.715 58.000 -0.028 0.000 1.282 1160 F CB 0.024 39.012 39.000 -0.019 0.000 1.010 1160 F HN -0.024 nan 8.300 nan 0.000 0.485 1161 K N -0.062 120.397 120.400 0.099 0.000 2.147 1161 K HA -0.178 4.142 4.320 -0.001 0.000 0.205 1161 K C 1.915 178.482 176.600 -0.055 0.000 1.049 1161 K CA 1.693 58.000 56.287 0.034 0.000 0.936 1161 K CB -0.183 32.337 32.500 0.032 0.000 0.722 1161 K HN 0.405 nan 8.250 nan 0.000 0.446 1162 E N 0.571 120.712 120.200 -0.099 0.000 2.107 1162 E HA -0.114 4.235 4.350 -0.001 0.000 0.191 1162 E C 1.967 178.419 176.600 -0.247 0.000 0.982 1162 E CA 0.698 57.018 56.400 -0.133 0.000 0.809 1162 E CB 0.043 29.654 29.700 -0.150 0.000 0.756 1162 E HN 0.235 nan 8.360 nan 0.000 0.459 1163 L N 0.909 121.929 121.223 -0.338 0.000 2.056 1163 L HA -0.154 4.185 4.340 -0.001 0.000 0.207 1163 L C 2.347 179.027 176.870 -0.316 0.000 1.078 1163 L CA 1.095 55.661 54.840 -0.458 0.000 0.749 1163 L CB -0.379 41.433 42.059 -0.411 0.000 0.901 1163 L HN 0.113 nan 8.230 nan 0.000 0.433 1164 E N -0.511 119.500 120.200 -0.314 0.000 2.058 1164 E HA -0.301 4.049 4.350 -0.001 0.000 0.194 1164 E C 2.083 178.632 176.600 -0.085 0.000 0.997 1164 E CA 1.671 57.972 56.400 -0.165 0.000 0.801 1164 E CB -0.164 29.492 29.700 -0.074 0.000 0.746 1164 E HN 0.491 nan 8.360 nan 0.000 0.450 1165 H N 0.313 119.302 119.070 -0.135 0.000 2.389 1165 H HA -0.005 4.550 4.556 -0.001 0.000 0.299 1165 H C 1.985 177.235 175.328 -0.130 0.000 1.081 1165 H CA 1.492 57.476 56.048 -0.107 0.000 1.345 1165 H CB -0.005 29.692 29.762 -0.108 0.000 1.393 1165 H HN 0.050 nan 8.280 nan 0.000 0.520 1166 M N -0.337 118.987 119.600 -0.460 0.000 2.108 1166 M HA -0.149 4.330 4.480 -0.001 0.000 0.261 1166 M C 2.492 178.624 176.300 -0.279 0.000 1.066 1166 M CA 1.673 56.635 55.300 -0.564 0.000 1.107 1166 M CB -0.277 31.687 32.600 -1.060 0.000 1.356 1166 M HN 0.497 nan 8.290 nan 0.000 0.406 1167 A N -0.292 122.512 122.820 -0.028 0.000 2.119 1167 A HA 0.133 4.452 4.320 -0.001 0.000 0.217 1167 A C 2.169 179.742 177.584 -0.019 0.000 1.153 1167 A CA 1.526 53.651 52.037 0.147 0.000 0.692 1167 A CB -0.551 18.550 19.000 0.169 0.000 0.799 1167 A HN 0.511 nan 8.150 nan 0.000 0.458 1168 A N -1.433 121.317 122.820 -0.116 0.000 2.095 1168 A HA 0.255 4.574 4.320 -0.001 0.000 0.212 1168 A C 1.447 178.963 177.584 -0.113 0.000 1.162 1168 A CA 0.944 52.931 52.037 -0.084 0.000 0.753 1168 A CB -0.686 18.294 19.000 -0.033 0.000 0.840 1168 A HN 0.351 nan 8.150 nan 0.000 0.468 1169 T N -0.302 114.086 114.554 -0.277 0.000 2.856 1169 T HA -0.038 4.311 4.350 -0.001 0.000 0.329 1169 T C 0.932 175.668 174.700 0.060 0.000 1.094 1169 T CA 0.908 62.903 62.100 -0.175 0.000 1.112 1169 T CB 0.097 68.836 68.868 -0.216 0.000 1.009 1169 T HN 0.544 nan 8.240 nan 0.000 0.550 1170 N N 1.530 120.268 118.700 0.063 0.000 2.193 1170 N HA 0.166 4.906 4.740 -0.001 0.000 0.210 1170 N C -0.381 175.003 175.510 -0.210 0.000 1.215 1170 N CA -0.262 52.825 53.050 0.061 0.000 0.901 1170 N CB 0.377 38.865 38.487 0.002 0.000 1.060 1170 N HN 0.387 nan 8.380 nan 0.000 0.508 1171 I N 2.966 123.449 120.570 -0.145 0.000 2.315 1171 I HA 0.278 4.447 4.170 -0.001 0.000 0.291 1171 I C -0.874 175.158 176.117 -0.141 0.000 1.006 1171 I CA -0.197 60.941 61.300 -0.270 0.000 1.265 1171 I CB -0.188 37.745 38.000 -0.111 0.000 1.387 1171 I HN 0.029 nan 8.210 nan 0.000 0.475 1172 F N 2.562 122.483 119.950 -0.048 0.000 2.641 1172 F HA 0.514 5.041 4.527 -0.000 0.000 0.308 1172 F C -0.247 175.508 175.800 -0.075 0.000 1.105 1172 F CA -1.275 56.695 58.000 -0.051 0.000 0.964 1172 F CB 0.769 39.730 39.000 -0.065 0.000 1.294 1172 F HN 0.273 nan 8.300 nan 0.000 0.442 1173 E N 1.847 122.146 120.200 0.165 0.000 2.415 1173 E HA 0.396 4.746 4.350 -0.001 0.000 0.260 1173 E C -0.780 175.673 176.600 -0.244 0.000 1.016 1173 E CA 0.070 56.476 56.400 0.010 0.000 0.924 1173 E CB 0.773 30.535 29.700 0.104 0.000 0.961 1173 E HN 0.591 nan 8.360 nan 0.000 0.459 1174 S N 2.997 118.515 115.700 -0.304 0.000 2.536 1174 S HA 0.803 5.273 4.470 -0.001 0.000 0.298 1174 S C -0.881 173.478 174.600 -0.403 0.000 1.083 1174 S CA -0.914 57.044 58.200 -0.402 0.000 0.995 1174 S CB 0.782 63.947 63.200 -0.058 0.000 1.058 1174 S HN 0.465 nan 8.310 nan 0.000 0.488 1175 F N -1.623 118.413 119.950 0.143 0.000 2.793 1175 F HA 0.746 5.272 4.527 -0.001 0.000 0.316 1175 F C -0.549 175.308 175.800 0.096 0.000 1.147 1175 F CA -1.871 56.195 58.000 0.111 0.000 0.930 1175 F CB 0.039 39.111 39.000 0.119 0.000 1.277 1175 F HN 0.687 nan 8.300 nan 0.000 0.443 1176 A N 1.721 124.741 122.820 0.334 0.000 2.287 1176 A HA 0.720 5.039 4.320 -0.001 0.000 0.273 1176 A C -1.249 176.419 177.584 0.141 0.000 1.091 1176 A CA -0.779 51.373 52.037 0.193 0.000 0.817 1176 A CB -0.337 18.727 19.000 0.105 0.000 1.069 1176 A HN 0.790 nan 8.150 nan 0.000 0.492 1177 P HA 0.116 nan 4.420 nan 0.000 0.221 1177 P C 0.447 177.707 177.300 -0.068 0.000 1.150 1177 P CA 1.846 64.940 63.100 -0.009 0.000 0.800 1177 P CB 0.232 31.918 31.700 -0.025 0.000 0.787 1178 A N -1.825 120.969 122.820 -0.044 0.000 5.767 1178 A HA 0.609 4.929 4.320 -0.001 0.000 0.190 1178 A C -0.737 176.826 177.584 -0.034 0.000 0.899 1178 A CA 0.149 52.148 52.037 -0.062 0.000 0.816 1178 A CB 0.208 19.168 19.000 -0.067 0.000 2.140 1178 A HN 0.382 nan 8.150 nan 0.000 1.042 1179 G N -1.798 106.983 108.800 -0.032 0.000 3.444 1179 G HA2 0.641 4.601 3.960 -0.001 0.000 0.685 1179 G HA3 0.641 4.601 3.960 -0.001 0.000 0.685 1179 G C 0.626 175.513 174.900 -0.021 0.000 1.145 1179 G CA 0.795 45.884 45.100 -0.019 0.000 0.973 1179 G HN 2.971 nan 8.290 nan 0.000 0.525 1180 G N 1.714 110.504 108.800 -0.017 0.000 2.113 1180 G HA2 0.483 4.443 3.960 -0.001 0.000 0.082 1180 G HA3 0.483 4.443 3.960 -0.001 0.000 0.082 1180 G C 0.645 175.537 174.900 -0.014 0.000 1.155 1180 G CA 1.001 46.092 45.100 -0.016 0.000 1.241 1180 G HN 1.896 nan 8.290 nan 0.000 0.453 1181 K N -1.255 119.135 120.400 -0.017 0.000 6.001 1181 K HA 0.031 4.351 4.320 -0.001 0.000 0.277 1181 K C 0.919 177.515 176.600 -0.006 0.000 0.834 1181 K CA 1.886 58.167 56.287 -0.011 0.000 0.935 1181 K CB -1.770 30.729 32.500 -0.003 0.000 0.754 1181 K HN 2.837 nan 8.250 nan 0.000 0.818 1182 A N 1.956 124.775 122.820 -0.002 0.000 1.822 1182 A HA -0.088 4.231 4.320 -0.001 0.000 0.430 1182 A C -0.367 177.217 177.584 0.000 0.000 0.670 1182 A CA 1.015 53.052 52.037 -0.001 0.000 0.445 1182 A CB -0.940 18.058 19.000 -0.002 0.000 2.517 1182 A HN 0.498 nan 8.150 nan 0.000 0.345 1183 D N 0.498 120.899 120.400 0.002 0.000 2.583 1183 D HA 0.466 5.105 4.640 -0.001 0.000 0.232 1183 D C 0.851 177.151 176.300 -0.000 0.000 1.128 1183 D CA 2.701 56.702 54.000 0.002 0.000 0.859 1183 D CB 0.337 41.138 40.800 0.001 0.000 1.169 1183 D HN 1.989 nan 8.370 nan 0.000 0.481 1184 G N 0.834 109.633 108.800 -0.001 0.000 2.335 1184 G HA2 0.405 4.365 3.960 -0.001 0.000 0.592 1184 G HA3 0.405 4.365 3.960 -0.001 0.000 0.592 1184 G C -1.006 173.893 174.900 -0.001 0.000 1.442 1184 G CA -0.338 44.761 45.100 -0.002 0.000 0.976 1184 G HN 0.866 nan 8.290 nan 0.000 0.652 1185 S N -1.749 113.950 115.700 -0.002 0.000 2.618 1185 S HA 0.911 5.381 4.470 -0.001 0.000 0.277 1185 S C -1.298 173.301 174.600 -0.002 0.000 1.138 1185 S CA -0.307 57.894 58.200 0.000 0.000 0.844 1185 S CB 2.333 65.532 63.200 -0.000 0.000 1.127 1185 S HN 2.283 nan 8.310 nan 0.000 0.474 1186 V N 1.079 120.995 119.914 0.003 0.000 2.891 1186 V HA 0.504 4.624 4.120 -0.001 0.000 0.304 1186 V C -1.705 174.389 176.094 -0.000 0.000 1.171 1186 V CA -0.551 61.746 62.300 -0.003 0.000 0.943 1186 V CB 2.041 33.865 31.823 0.003 0.000 1.037 1186 V HN 1.177 nan 8.190 nan 0.000 0.427 1187 D N 3.369 123.743 120.400 -0.044 0.000 2.302 1187 D HA 0.260 4.900 4.640 -0.001 0.000 0.248 1187 D C 1.062 177.297 176.300 -0.108 0.000 1.094 1187 D CA -0.124 53.810 54.000 -0.110 0.000 0.897 1187 D CB 0.989 41.660 40.800 -0.215 0.000 1.200 1187 D HN 0.496 nan 8.370 nan 0.000 0.429 1188 F N 1.448 121.398 119.950 -0.001 0.000 2.494 1188 F HA 0.170 4.696 4.527 -0.001 0.000 0.298 1188 F C 1.595 177.399 175.800 0.007 0.000 1.106 1188 F CA 0.549 58.550 58.000 0.002 0.000 1.452 1188 F CB -0.460 38.540 39.000 0.000 0.000 1.085 1188 F HN 0.300 nan 8.300 nan 0.000 0.569 1189 G N -0.260 108.254 108.800 -0.477 0.000 2.887 1189 G HA2 0.041 4.000 3.960 -0.001 0.000 0.211 1189 G HA3 0.041 4.000 3.960 -0.001 0.000 0.211 1189 G C 0.188 175.013 174.900 -0.124 0.000 1.152 1189 G CA -0.398 44.542 45.100 -0.266 0.000 0.769 1189 G HN 0.376 nan 8.290 nan 0.000 0.541 1190 E N 0.464 120.594 120.200 -0.117 0.000 2.558 1190 E HA 0.315 4.664 4.350 -0.001 0.000 0.255 1190 E C 1.353 177.937 176.600 -0.027 0.000 0.968 1190 E CA 0.543 56.903 56.400 -0.066 0.000 0.939 1190 E CB 0.339 30.006 29.700 -0.055 0.000 0.921 1190 E HN 0.270 nan 8.360 nan 0.000 0.477 1191 G N 2.599 111.384 108.800 -0.025 0.000 2.180 1191 G HA2 -0.358 3.602 3.960 -0.001 0.000 0.263 1191 G HA3 -0.358 3.602 3.960 -0.001 0.000 0.263 1191 G C 0.413 175.317 174.900 0.007 0.000 0.989 1191 G CA 0.182 45.275 45.100 -0.011 0.000 0.692 1191 G HN 0.775 nan 8.290 nan 0.000 0.526 1192 A N -0.678 122.154 122.820 0.019 0.000 2.425 1192 A HA 0.611 4.931 4.320 -0.001 0.000 0.242 1192 A C 1.166 178.781 177.584 0.053 0.000 1.077 1192 A CA 1.141 53.215 52.037 0.061 0.000 0.781 1192 A CB 0.308 19.362 19.000 0.090 0.000 1.020 1192 A HN 0.386 nan 8.150 nan 0.000 0.494 1193 E N 0.062 120.325 120.200 0.103 0.000 2.216 1193 E HA 0.127 4.477 4.350 -0.001 0.000 0.192 1193 E C -0.623 175.893 176.600 -0.141 0.000 0.988 1193 E CA 0.993 57.401 56.400 0.013 0.000 0.834 1193 E CB -0.023 29.741 29.700 0.106 0.000 0.772 1193 E HN 0.613 nan 8.360 nan 0.000 0.479 1194 F N -1.352 118.605 119.950 0.012 0.000 2.611 1194 F HA 0.334 4.860 4.527 -0.002 0.000 0.324 1194 F C 0.014 175.825 175.800 0.017 0.000 1.061 1194 F CA -1.583 56.425 58.000 0.013 0.000 0.954 1194 F CB 0.822 39.831 39.000 0.015 0.000 1.301 1194 F HN -0.298 nan 8.300 nan 0.000 0.482 1195 c N 1.144 119.874 118.600 0.216 0.000 2.563 1195 c HA 0.136 4.706 4.570 -0.001 0.000 0.411 1195 c C 1.597 175.774 174.090 0.146 0.000 1.386 1195 c CA 0.391 56.798 56.329 0.130 0.000 1.703 1195 c CB -0.214 42.358 42.510 0.103 0.000 2.596 1195 c HN 0.888 nan 8.230 nan 0.000 0.605 1196 T N 2.313 116.941 114.554 0.124 0.000 3.044 1196 T HA 0.171 4.521 4.350 -0.001 0.000 0.260 1196 T C 0.623 175.457 174.700 0.223 0.000 1.019 1196 T CA 0.343 62.555 62.100 0.186 0.000 0.921 1196 T CB -0.035 68.945 68.868 0.188 0.000 1.053 1196 T HN 0.666 nan 8.240 nan 0.000 0.533 1197 R N 1.557 122.137 120.500 0.134 0.000 2.808 1197 R HA 0.474 4.814 4.340 -0.001 0.000 0.272 1197 R C -1.244 175.101 176.300 0.075 0.000 0.995 1197 R CA -0.883 55.290 56.100 0.122 0.000 0.917 1197 R CB 1.477 31.829 30.300 0.087 0.000 1.217 1197 R HN 0.212 nan 8.270 nan 0.000 0.471 1198 D N -0.899 119.538 120.400 0.061 0.000 2.506 1198 D HA 0.077 4.716 4.640 -0.001 0.000 0.272 1198 D C -0.047 176.271 176.300 0.030 0.000 1.214 1198 D CA -0.443 53.581 54.000 0.041 0.000 1.067 1198 D CB 0.501 41.320 40.800 0.032 0.000 1.117 1198 D HN 0.291 nan 8.370 nan 0.000 0.578 1199 D N -1.130 119.284 120.400 0.023 0.000 2.319 1199 D HA 0.060 4.699 4.640 -0.001 0.000 0.230 1199 D C 0.014 176.321 176.300 0.012 0.000 1.094 1199 D CA 0.283 54.293 54.000 0.016 0.000 0.856 1199 D CB -0.178 40.631 40.800 0.015 0.000 0.915 1199 D HN 0.271 nan 8.370 nan 0.000 0.517 1200 T N 1.092 115.654 114.554 0.013 0.000 2.882 1200 T HA 0.144 4.494 4.350 -0.001 0.000 0.287 1200 T C -1.432 173.271 174.700 0.005 0.000 1.014 1200 T CA -1.194 60.911 62.100 0.008 0.000 1.049 1200 T CB 1.854 70.727 68.868 0.009 0.000 1.001 1200 T HN -0.124 nan 8.240 nan 0.000 0.525 1201 P HA 0.086 nan 4.420 nan 0.000 0.223 1201 P C 1.367 178.663 177.300 -0.006 0.000 1.151 1201 P CA 0.809 63.905 63.100 -0.006 0.000 0.787 1201 P CB 0.065 31.757 31.700 -0.013 0.000 0.788 1202 M N -2.093 117.505 119.600 -0.004 0.000 2.229 1202 M HA -0.064 4.415 4.480 -0.001 0.000 0.264 1202 M C 1.844 178.150 176.300 0.011 0.000 1.063 1202 M CA 1.690 56.989 55.300 -0.002 0.000 1.114 1202 M CB -0.509 32.089 32.600 -0.003 0.000 1.387 1202 M HN -0.079 nan 8.290 nan 0.000 0.420 1203 M N -0.627 118.984 119.600 0.019 0.000 2.441 1203 M HA 0.240 4.719 4.480 -0.001 0.000 0.244 1203 M C 0.584 176.898 176.300 0.024 0.000 1.122 1203 M CA -0.271 55.051 55.300 0.036 0.000 1.041 1203 M CB -0.040 32.592 32.600 0.054 0.000 1.438 1203 M HN 0.099 nan 8.290 nan 0.000 0.484 1204 A N 2.319 125.145 122.820 0.010 0.000 2.546 1204 A HA 0.289 4.608 4.320 -0.001 0.000 0.243 1204 A C 0.192 177.774 177.584 -0.003 0.000 1.063 1204 A CA 0.436 52.474 52.037 0.001 0.000 0.757 1204 A CB 0.200 19.198 19.000 -0.003 0.000 0.991 1204 A HN 0.308 nan 8.150 nan 0.000 0.503 1205 R N 1.893 122.387 120.500 -0.010 0.000 2.867 1205 R HA 0.408 4.747 4.340 -0.001 0.000 0.268 1205 R C -2.236 174.052 176.300 -0.019 0.000 1.014 1205 R CA -2.101 53.991 56.100 -0.014 0.000 0.946 1205 R CB 0.308 30.596 30.300 -0.021 0.000 1.208 1205 R HN 0.349 nan 8.270 nan 0.000 0.477 1206 P HA -0.136 nan 4.420 nan 0.000 0.216 1206 P C 0.078 177.363 177.300 -0.024 0.000 1.154 1206 P CA 1.410 64.498 63.100 -0.020 0.000 0.865 1206 P CB 0.318 32.007 31.700 -0.019 0.000 0.789 1207 D N -1.456 118.925 120.400 -0.032 0.000 2.339 1207 D HA 0.026 4.665 4.640 -0.001 0.000 0.217 1207 D C 0.757 177.033 176.300 -0.041 0.000 1.050 1207 D CA 0.345 54.322 54.000 -0.037 0.000 0.856 1207 D CB -0.117 40.655 40.800 -0.046 0.000 0.922 1207 D HN 0.262 nan 8.370 nan 0.000 0.518 1208 S N -0.984 114.694 115.700 -0.037 0.000 2.624 1208 S HA 0.503 4.972 4.470 -0.001 0.000 0.263 1208 S C 1.286 175.871 174.600 -0.025 0.000 1.287 1208 S CA 0.310 58.489 58.200 -0.035 0.000 0.990 1208 S CB 2.067 65.251 63.200 -0.027 0.000 0.950 1208 S HN 0.247 nan 8.310 nan 0.000 0.561 1209 G N -0.321 108.467 108.800 -0.021 0.000 2.260 1209 G HA2 -0.143 3.817 3.960 -0.001 0.000 0.179 1209 G HA3 -0.143 3.817 3.960 -0.001 0.000 0.179 1209 G C -0.179 174.710 174.900 -0.017 0.000 1.002 1209 G CA -0.224 44.867 45.100 -0.016 0.000 0.677 1209 G HN 0.751 nan 8.290 nan 0.000 0.486 1210 E N 0.781 120.968 120.200 -0.022 0.000 2.404 1210 E HA 0.504 4.854 4.350 -0.001 0.000 0.261 1210 E C 0.920 177.508 176.600 -0.020 0.000 1.074 1210 E CA 0.235 56.621 56.400 -0.023 0.000 0.917 1210 E CB 1.017 30.699 29.700 -0.030 0.000 0.965 1210 E HN 0.597 nan 8.360 nan 0.000 0.433 1211 A N 1.652 124.459 122.820 -0.021 0.000 2.407 1211 A HA 0.344 4.664 4.320 -0.001 0.000 0.248 1211 A C -0.047 177.521 177.584 -0.027 0.000 1.082 1211 A CA -0.333 51.692 52.037 -0.020 0.000 0.785 1211 A CB -0.195 18.791 19.000 -0.023 0.000 1.020 1211 A HN 0.745 nan 8.150 nan 0.000 0.489 1212 c N -0.003 118.583 118.600 -0.023 0.000 3.306 1212 c HA 0.629 5.198 4.570 -0.001 0.000 0.335 1212 c C -0.813 173.261 174.090 -0.026 0.000 1.382 1212 c CA -1.027 55.282 56.329 -0.033 0.000 1.254 1212 c CB 1.062 43.567 42.510 -0.009 0.000 1.555 1212 c HN 0.828 nan 8.230 nan 0.000 0.463 1213 D N 0.815 121.175 120.400 -0.067 0.000 2.325 1213 D HA 0.132 4.771 4.640 -0.001 0.000 0.251 1213 D C 0.314 176.704 176.300 0.151 0.000 1.196 1213 D CA 0.705 54.683 54.000 -0.037 0.000 0.866 1213 D CB 1.135 41.738 40.800 -0.328 0.000 1.101 1213 D HN 0.741 nan 8.370 nan 0.000 0.476 1214 Q N 3.163 123.043 119.800 0.134 0.000 2.247 1214 Q HA 0.052 4.392 4.340 -0.001 0.000 0.205 1214 Q C -0.202 175.889 176.000 0.152 0.000 0.896 1214 Q CA -0.125 55.760 55.803 0.136 0.000 0.950 1214 Q CB -0.096 28.687 28.738 0.075 0.000 1.054 1214 Q HN 0.498 nan 8.270 nan 0.000 0.482 1215 N N 0.396 119.248 118.700 0.254 0.000 2.741 1215 N HA -0.214 4.525 4.740 -0.001 0.000 0.250 1215 N C -0.132 175.431 175.510 0.088 0.000 1.115 1215 N CA 0.893 54.039 53.050 0.161 0.000 0.724 1215 N CB -0.591 37.906 38.487 0.016 0.000 1.090 1215 N HN 0.446 nan 8.380 nan 0.000 0.558 1216 R N -0.243 120.312 120.500 0.091 0.000 2.334 1216 R HA 0.259 4.598 4.340 -0.001 0.000 0.216 1216 R C 1.510 177.843 176.300 0.055 0.000 0.905 1216 R CA 0.808 56.941 56.100 0.055 0.000 1.064 1216 R CB 0.493 30.819 30.300 0.043 0.000 1.046 1216 R HN 0.223 nan 8.270 nan 0.000 0.508 1217 A N 0.596 123.464 122.820 0.080 0.000 2.503 1217 A HA 0.461 4.781 4.320 -0.001 0.000 0.263 1217 A C 0.683 178.315 177.584 0.080 0.000 1.258 1217 A CA 0.267 52.346 52.037 0.070 0.000 0.936 1217 A CB 0.410 19.450 19.000 0.067 0.000 1.070 1217 A HN 0.326 nan 8.150 nan 0.000 0.522 1218 G N -0.925 107.924 108.800 0.081 0.000 2.698 1218 G HA2 -0.072 3.888 3.960 -0.001 0.000 0.225 1218 G HA3 -0.072 3.888 3.960 -0.001 0.000 0.225 1218 G C 0.023 174.984 174.900 0.101 0.000 1.345 1218 G CA -0.409 44.727 45.100 0.060 0.000 0.871 1218 G HN 0.603 nan 8.290 nan 0.000 0.540 1219 T N 0.230 114.817 114.554 0.056 0.000 2.795 1219 T HA 0.381 4.731 4.350 -0.001 0.000 0.314 1219 T C 2.017 176.825 174.700 0.180 0.000 1.069 1219 T CA 0.676 62.818 62.100 0.070 0.000 1.071 1219 T CB 0.886 69.763 68.868 0.016 0.000 0.988 1219 T HN 0.852 nan 8.240 nan 0.000 0.543 1220 S N 0.781 116.637 115.700 0.260 0.000 2.383 1220 S HA -0.121 4.348 4.470 -0.001 0.000 0.229 1220 S C 1.997 176.662 174.600 0.108 0.000 1.030 1220 S CA 1.139 59.475 58.200 0.226 0.000 1.002 1220 S CB -0.187 63.152 63.200 0.232 0.000 0.829 1220 S HN 0.753 nan 8.310 nan 0.000 0.467 1221 E N 0.769 121.017 120.200 0.081 0.000 2.107 1221 E HA -0.146 4.204 4.350 -0.001 0.000 0.191 1221 E C 2.107 178.731 176.600 0.040 0.000 0.982 1221 E CA 0.761 57.189 56.400 0.048 0.000 0.809 1221 E CB -0.025 29.695 29.700 0.034 0.000 0.756 1221 E HN 0.565 nan 8.360 nan 0.000 0.459 1222 Q N 0.079 119.905 119.800 0.044 0.000 2.079 1222 Q HA -0.184 4.156 4.340 -0.001 0.000 0.200 1222 Q C 2.236 178.259 176.000 0.038 0.000 0.974 1222 Q CA 1.395 57.219 55.803 0.035 0.000 0.840 1222 Q CB -0.027 28.730 28.738 0.033 0.000 0.898 1222 Q HN 0.339 nan 8.270 nan 0.000 0.430 1223 Q N -0.300 119.532 119.800 0.053 0.000 2.119 1223 Q HA -0.105 4.234 4.340 -0.001 0.000 0.201 1223 Q C 2.158 178.175 176.000 0.028 0.000 0.972 1223 Q CA 1.142 56.971 55.803 0.043 0.000 0.847 1223 Q CB -0.176 28.595 28.738 0.055 0.000 0.903 1223 Q HN 0.484 nan 8.270 nan 0.000 0.433 1224 G N 1.161 109.979 108.800 0.030 0.000 2.414 1224 G HA2 -0.316 3.644 3.960 -0.001 0.000 0.215 1224 G HA3 -0.316 3.644 3.960 -0.001 0.000 0.215 1224 G C 0.967 175.876 174.900 0.015 0.000 1.188 1224 G CA 1.137 46.248 45.100 0.019 0.000 0.783 1224 G HN 0.382 nan 8.290 nan 0.000 0.537 1225 D N -0.158 120.252 120.400 0.017 0.000 2.149 1225 D HA -0.119 4.520 4.640 -0.001 0.000 0.198 1225 D C 2.273 178.579 176.300 0.011 0.000 0.990 1225 D CA 0.709 54.717 54.000 0.013 0.000 0.839 1225 D CB -0.230 40.577 40.800 0.013 0.000 0.948 1225 D HN 0.156 nan 8.370 nan 0.000 0.460 1226 L N -0.101 121.130 121.223 0.014 0.000 2.141 1226 L HA -0.031 4.309 4.340 -0.001 0.000 0.209 1226 L C 2.252 179.127 176.870 0.008 0.000 1.094 1226 L CA 1.536 56.383 54.840 0.011 0.000 0.763 1226 L CB -1.001 41.067 42.059 0.014 0.000 0.908 1226 L HN 0.023 nan 8.230 nan 0.000 0.437 1227 S N -0.947 114.757 115.700 0.008 0.000 2.368 1227 S HA -0.172 4.297 4.470 -0.001 0.000 0.224 1227 S C 2.017 176.619 174.600 0.004 0.000 1.029 1227 S CA 1.312 59.515 58.200 0.005 0.000 0.988 1227 S CB -0.095 63.106 63.200 0.003 0.000 0.838 1227 S HN 0.521 nan 8.310 nan 0.000 0.462 1228 K N 0.473 120.875 120.400 0.004 0.000 2.057 1228 K HA 0.028 4.348 4.320 -0.001 0.000 0.206 1228 K C 2.443 179.045 176.600 0.003 0.000 1.050 1228 K CA 1.002 57.291 56.287 0.003 0.000 0.935 1228 K CB -0.183 32.319 32.500 0.004 0.000 0.715 1228 K HN 0.252 nan 8.250 nan 0.000 0.439 1229 R N 0.044 120.547 120.500 0.004 0.000 2.152 1229 R HA -0.084 4.255 4.340 -0.001 0.000 0.232 1229 R C 1.906 178.208 176.300 0.003 0.000 1.117 1229 R CA 1.304 57.406 56.100 0.004 0.000 0.981 1229 R CB -0.153 30.150 30.300 0.005 0.000 0.870 1229 R HN 0.091 nan 8.270 nan 0.000 0.451 1230 T N 1.055 115.611 114.554 0.003 0.000 3.163 1230 T HA 0.061 4.411 4.350 -0.001 0.000 0.252 1230 T C 1.265 175.966 174.700 0.001 0.000 1.056 1230 T CA -0.133 61.968 62.100 0.002 0.000 0.947 1230 T CB 0.056 68.926 68.868 0.003 0.000 1.016 1230 T HN 0.307 nan 8.240 nan 0.000 0.554 1231 K N 1.319 121.720 120.400 0.001 0.000 2.008 1231 K HA -0.270 4.049 4.320 -0.001 0.000 0.231 1231 K C 0.497 177.097 176.600 -0.000 0.000 1.031 1231 K CA 1.447 57.735 56.287 0.000 0.000 0.995 1231 K CB -0.679 31.821 32.500 0.000 0.000 0.747 1231 K HN 0.198 nan 8.250 nan 0.000 0.447 1232 K N 0.000 120.400 120.400 -0.000 0.000 2.780 1232 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 1232 K CA 0.000 56.287 56.287 -0.001 0.000 0.838 1232 K CB 0.000 32.500 32.500 -0.001 0.000 1.064 1232 K HN 0.000 nan 8.250 nan 0.000 0.543