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 2uza_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 3.960 3.960 -0.001 0.000 0.244 2 G C 0.000 174.915 174.900 0.025 0.000 0.946 2 G CA 0.000 45.113 45.100 0.021 0.000 0.502 3 K N 0.010 120.416 120.400 0.009 0.000 2.488 3 K HA 0.803 5.123 4.320 -0.001 0.000 0.255 3 K C -0.149 176.437 176.600 -0.024 0.000 1.036 3 K CA -0.426 55.858 56.287 -0.005 0.000 0.990 3 K CB 0.712 33.201 32.500 -0.018 0.000 1.304 3 K HN 0.645 nan 8.250 nan 0.000 0.505 4 K N 0.219 120.588 120.400 -0.050 0.000 2.594 4 K HA 0.146 4.465 4.320 -0.001 0.000 0.262 4 K C -1.441 175.106 176.600 -0.087 0.000 0.954 4 K CA -0.458 55.791 56.287 -0.063 0.000 0.917 4 K CB 0.575 33.037 32.500 -0.063 0.000 1.343 4 K HN 0.311 nan 8.250 nan 0.000 0.428 5 M N 3.734 123.289 119.600 -0.076 0.000 2.241 5 M HA 0.472 4.952 4.480 -0.001 0.000 0.335 5 M C -0.075 176.178 176.300 -0.078 0.000 1.122 5 M CA 0.088 55.340 55.300 -0.079 0.000 1.164 5 M CB 0.687 33.244 32.600 -0.071 0.000 1.459 5 M HN 0.861 nan 8.290 nan 0.000 0.461 6 M N 1.552 121.109 119.600 -0.072 0.000 2.449 6 M HA 0.290 4.769 4.480 -0.001 0.000 0.291 6 M C -1.416 174.867 176.300 -0.029 0.000 1.148 6 M CA -0.335 54.930 55.300 -0.059 0.000 0.925 6 M CB 2.151 34.691 32.600 -0.099 0.000 1.767 6 M HN 0.792 nan 8.290 nan 0.000 0.503 7 T N 1.136 115.690 114.554 0.001 0.000 2.770 7 T HA 0.835 5.184 4.350 -0.001 0.000 0.297 7 T C -0.390 174.332 174.700 0.037 0.000 0.997 7 T CA 0.000 62.119 62.100 0.031 0.000 0.949 7 T CB 0.780 69.684 68.868 0.060 0.000 0.941 7 T HN 0.828 nan 8.240 nan 0.000 0.457 8 T N 0.133 114.710 114.554 0.039 0.000 2.731 8 T HA 0.634 4.983 4.350 -0.001 0.000 0.300 8 T C -1.321 173.414 174.700 0.058 0.000 1.283 8 T CA -1.007 61.122 62.100 0.048 0.000 1.005 8 T CB 1.257 70.149 68.868 0.040 0.000 1.420 8 T HN 0.650 nan 8.240 nan 0.000 0.503 9 D N -0.667 119.767 120.400 0.055 0.000 2.432 9 D HA 0.487 5.127 4.640 -0.001 0.000 0.258 9 D C 1.687 178.006 176.300 0.031 0.000 1.146 9 D CA -0.251 53.788 54.000 0.066 0.000 1.015 9 D CB 0.082 40.914 40.800 0.054 0.000 1.107 9 D HN 0.771 nan 8.370 nan 0.000 0.529 10 G N -0.199 108.621 108.800 0.033 0.000 2.469 10 G HA2 -0.363 3.597 3.960 -0.001 0.000 0.220 10 G HA3 -0.363 3.597 3.960 -0.001 0.000 0.220 10 G C 1.253 176.034 174.900 -0.197 0.000 1.136 10 G CA 0.855 45.870 45.100 -0.141 0.000 0.759 10 G HN 0.655 nan 8.290 nan 0.000 0.562 11 N N -0.231 118.492 118.700 0.038 0.000 2.058 11 N HA -0.147 4.592 4.740 -0.001 0.000 0.191 11 N C 2.541 178.077 175.510 0.044 0.000 1.037 11 N CA 1.865 54.976 53.050 0.100 0.000 0.848 11 N CB -0.201 38.300 38.487 0.023 0.000 1.021 11 N HN 0.447 nan 8.380 nan 0.000 0.422 12 T N -1.303 113.278 114.554 0.044 0.000 2.951 12 T HA 0.114 4.464 4.350 -0.001 0.000 0.268 12 T C 1.877 176.705 174.700 0.212 0.000 1.073 12 T CA 0.836 63.028 62.100 0.154 0.000 1.134 12 T CB -0.188 68.782 68.868 0.171 0.000 0.884 12 T HN 0.179 nan 8.240 nan 0.000 0.479 13 A N 1.677 124.556 122.820 0.099 0.000 1.877 13 A HA -0.033 4.286 4.320 -0.001 0.000 0.216 13 A C 2.748 180.414 177.584 0.137 0.000 1.186 13 A CA 2.474 54.576 52.037 0.109 0.000 0.620 13 A CB -1.538 17.485 19.000 0.038 0.000 0.822 13 A HN 0.679 nan 8.150 nan 0.000 0.443 14 T N -1.937 112.639 114.554 0.036 0.000 2.942 14 T HA 0.188 4.538 4.350 -0.001 0.000 0.265 14 T C 1.932 176.680 174.700 0.080 0.000 1.062 14 T CA 1.585 63.702 62.100 0.028 0.000 1.139 14 T CB -0.428 68.488 68.868 0.081 0.000 0.883 14 T HN 0.532 nan 8.240 nan 0.000 0.468 15 A N 1.409 124.332 122.820 0.171 0.000 1.972 15 A HA -0.157 4.163 4.320 -0.001 0.000 0.219 15 A C 2.335 180.242 177.584 0.539 0.000 1.169 15 A CA 1.833 54.021 52.037 0.251 0.000 0.635 15 A CB -1.373 17.638 19.000 0.018 0.000 0.810 15 A HN 0.824 nan 8.150 nan 0.000 0.446 16 H N -0.130 119.203 119.070 0.438 0.000 2.353 16 H HA -0.126 4.430 4.556 -0.001 0.000 0.298 16 H C 1.925 177.367 175.328 0.191 0.000 1.103 16 H CA 2.267 58.510 56.048 0.325 0.000 1.293 16 H CB 0.010 29.899 29.762 0.213 0.000 1.372 16 H HN 0.264 nan 8.280 nan 0.000 0.501 17 V N 1.045 120.999 119.914 0.067 0.000 2.346 17 V HA -0.134 3.985 4.120 -0.001 0.000 0.244 17 V C 3.091 179.026 176.094 -0.265 0.000 1.037 17 V CA 1.247 63.423 62.300 -0.208 0.000 1.029 17 V CB -1.078 30.598 31.823 -0.244 0.000 0.663 17 V HN 0.572 nan 8.190 nan 0.000 0.454 18 A N -0.781 121.993 122.820 -0.077 0.000 1.948 18 A HA -0.313 4.006 4.320 -0.001 0.000 0.220 18 A C 2.159 179.778 177.584 0.057 0.000 1.177 18 A CA 2.319 54.373 52.037 0.028 0.000 0.636 18 A CB -0.848 18.358 19.000 0.344 0.000 0.815 18 A HN 0.660 nan 8.150 nan 0.000 0.449 19 Y N 0.268 120.630 120.300 0.103 0.000 2.181 19 Y HA -0.069 4.481 4.550 -0.001 0.000 0.288 19 Y C 2.651 178.496 175.900 -0.092 0.000 1.146 19 Y CA 1.377 59.572 58.100 0.158 0.000 1.164 19 Y CB -0.291 38.423 38.460 0.424 0.000 0.982 19 Y HN 0.325 nan 8.280 nan 0.000 0.515 20 A N -0.200 122.440 122.820 -0.300 0.000 1.930 20 A HA -0.146 4.173 4.320 -0.001 0.000 0.217 20 A C 1.907 179.202 177.584 -0.481 0.000 1.175 20 A CA 1.751 53.331 52.037 -0.763 0.000 0.627 20 A CB -0.467 17.452 19.000 -1.802 0.000 0.815 20 A HN 0.455 nan 8.150 nan 0.000 0.443 21 M N 0.311 119.624 119.600 -0.478 0.000 2.561 21 M HA 0.194 4.673 4.480 -0.001 0.000 0.238 21 M C -0.085 176.123 176.300 -0.153 0.000 1.131 21 M CA 0.304 55.356 55.300 -0.413 0.000 1.046 21 M CB -0.808 31.338 32.600 -0.756 0.000 1.532 21 M HN 0.178 nan 8.290 nan 0.000 0.497 22 S N -0.241 115.403 115.700 -0.092 0.000 2.566 22 S HA 0.413 4.882 4.470 -0.001 0.000 0.298 22 S C 0.694 175.323 174.600 0.048 0.000 1.083 22 S CA -0.732 57.493 58.200 0.042 0.000 0.978 22 S CB 2.516 65.748 63.200 0.054 0.000 1.073 22 S HN 0.229 nan 8.310 nan 0.000 0.491 23 E N 0.180 120.424 120.200 0.072 0.000 2.330 23 E HA 0.213 4.563 4.350 -0.001 0.000 0.200 23 E C -0.333 176.266 176.600 -0.003 0.000 0.922 23 E CA 0.354 56.767 56.400 0.020 0.000 0.935 23 E CB 0.552 30.225 29.700 -0.044 0.000 0.917 23 E HN 0.271 nan 8.360 nan 0.000 0.491 24 V N 0.525 120.451 119.914 0.021 0.000 2.962 24 V HA 0.731 4.850 4.120 -0.001 0.000 0.313 24 V C -1.180 174.931 176.094 0.029 0.000 1.099 24 V CA -0.941 61.373 62.300 0.023 0.000 0.971 24 V CB 1.929 33.770 31.823 0.031 0.000 1.028 24 V HN 0.136 nan 8.190 nan 0.000 0.430 25 A N 2.444 125.280 122.820 0.027 0.000 2.437 25 A HA 0.916 5.235 4.320 -0.001 0.000 0.293 25 A C -0.654 176.932 177.584 0.003 0.000 1.038 25 A CA -0.119 51.927 52.037 0.016 0.000 0.708 25 A CB 1.640 20.695 19.000 0.091 0.000 1.251 25 A HN 1.530 nan 8.150 nan 0.000 0.409 26 A N 3.159 125.956 122.820 -0.038 0.000 2.287 26 A HA 0.783 5.103 4.320 -0.001 0.000 0.317 26 A C -0.045 177.496 177.584 -0.072 0.000 1.220 26 A CA -0.430 51.579 52.037 -0.046 0.000 0.835 26 A CB 0.083 19.060 19.000 -0.039 0.000 1.180 26 A HN 1.722 nan 8.150 nan 0.000 0.500 27 I N -1.029 119.489 120.570 -0.087 0.000 3.145 27 I HA 0.885 5.055 4.170 -0.001 0.000 0.313 27 I C -1.539 174.531 176.117 -0.079 0.000 1.122 27 I CA -1.123 60.123 61.300 -0.091 0.000 0.987 27 I CB 2.343 40.266 38.000 -0.129 0.000 1.236 27 I HN 0.596 nan 8.210 nan 0.000 0.453 28 Y N 2.641 122.819 120.300 -0.204 0.000 2.436 28 Y HA 0.505 5.054 4.550 -0.001 0.000 0.327 28 Y C -2.822 172.986 175.900 -0.154 0.000 1.138 28 Y CA -1.662 56.319 58.100 -0.197 0.000 1.042 28 Y CB 2.288 40.679 38.460 -0.115 0.000 1.302 28 Y HN 0.454 nan 8.280 nan 0.000 0.439 29 P HA 0.397 nan 4.420 nan 0.000 0.276 29 P C -0.976 176.168 177.300 -0.259 0.000 1.243 29 P CA 0.240 63.102 63.100 -0.396 0.000 0.768 29 P CB 1.702 33.128 31.700 -0.458 0.000 0.856 30 I N 1.675 122.180 120.570 -0.109 0.000 2.685 30 I HA 0.165 4.334 4.170 -0.001 0.000 0.289 30 I C -0.576 175.494 176.117 -0.077 0.000 1.292 30 I CA -0.307 60.954 61.300 -0.065 0.000 1.050 30 I CB 2.123 40.131 38.000 0.014 0.000 1.301 30 I HN 0.155 nan 8.210 nan 0.000 0.425 31 T N 8.707 123.202 114.554 -0.097 0.000 2.919 31 T HA 0.249 4.599 4.350 -0.001 0.000 0.302 31 T C -2.117 172.489 174.700 -0.158 0.000 1.031 31 T CA -0.584 61.440 62.100 -0.126 0.000 1.127 31 T CB 0.733 69.538 68.868 -0.104 0.000 0.952 31 T HN 0.483 nan 8.240 nan 0.000 0.540 32 P HA 0.164 nan 4.420 nan 0.000 0.254 32 P C 0.751 177.972 177.300 -0.131 0.000 1.620 32 P CA -0.140 62.731 63.100 -0.382 0.000 1.050 32 P CB 0.059 31.119 31.700 -1.066 0.000 1.539 33 S N -2.083 113.562 115.700 -0.092 0.000 2.524 33 S HA 0.018 4.488 4.470 -0.001 0.000 0.216 33 S C 1.797 176.376 174.600 -0.035 0.000 0.987 33 S CA 0.308 58.492 58.200 -0.026 0.000 0.909 33 S CB -0.804 62.407 63.200 0.018 0.000 0.781 33 S HN -0.022 nan 8.310 nan 0.000 0.521 34 S N 2.333 118.001 115.700 -0.054 0.000 2.380 34 S HA -0.160 4.309 4.470 -0.001 0.000 0.229 34 S C 1.921 176.457 174.600 -0.107 0.000 1.043 34 S CA 2.056 60.220 58.200 -0.059 0.000 1.038 34 S CB -1.147 62.011 63.200 -0.070 0.000 0.872 34 S HN 0.749 nan 8.310 nan 0.000 0.456 35 T N 2.461 116.928 114.554 -0.144 0.000 2.699 35 T HA -0.130 4.219 4.350 -0.001 0.000 0.268 35 T C 1.763 176.279 174.700 -0.307 0.000 1.036 35 T CA 1.481 63.453 62.100 -0.213 0.000 1.147 35 T CB -0.371 68.363 68.868 -0.223 0.000 0.862 35 T HN 0.381 nan 8.240 nan 0.000 0.446 36 M N 0.628 120.017 119.600 -0.352 0.000 2.067 36 M HA -0.038 4.442 4.480 -0.001 0.000 0.260 36 M C 2.844 178.616 176.300 -0.881 0.000 1.069 36 M CA 1.891 56.779 55.300 -0.685 0.000 1.117 36 M CB -0.848 31.229 32.600 -0.872 0.000 1.334 36 M HN 0.402 nan 8.290 nan 0.000 0.407 37 G N 0.007 108.436 108.800 -0.619 0.000 2.422 37 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.218 37 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.218 37 G C 1.318 176.257 174.900 0.065 0.000 1.146 37 G CA 0.762 45.776 45.100 -0.142 0.000 0.769 37 G HN 0.512 nan 8.290 nan 0.000 0.547 38 E N 0.379 120.527 120.200 -0.086 0.000 2.077 38 E HA -0.106 4.243 4.350 -0.001 0.000 0.193 38 E C 2.399 178.753 176.600 -0.411 0.000 0.989 38 E CA 0.994 57.199 56.400 -0.325 0.000 0.800 38 E CB -0.106 29.377 29.700 -0.362 0.000 0.746 38 E HN 0.554 nan 8.360 nan 0.000 0.452 39 E N 0.610 120.472 120.200 -0.564 0.000 2.106 39 E HA -0.164 4.186 4.350 -0.001 0.000 0.192 39 E C 2.087 177.996 176.600 -1.152 0.000 0.984 39 E CA 0.813 56.599 56.400 -1.024 0.000 0.806 39 E CB -0.086 28.850 29.700 -1.274 0.000 0.750 39 E HN 0.217 nan 8.360 nan 0.000 0.458 40 A N 1.305 123.773 122.820 -0.586 0.000 1.902 40 A HA -0.262 4.057 4.320 -0.001 0.000 0.217 40 A C 1.840 179.522 177.584 0.164 0.000 1.181 40 A CA 1.984 54.023 52.037 0.004 0.000 0.623 40 A CB -0.533 18.598 19.000 0.218 0.000 0.818 40 A HN 0.216 nan 8.150 nan 0.000 0.443 41 D N -0.463 119.981 120.400 0.073 0.000 2.084 41 D HA -0.147 4.493 4.640 -0.001 0.000 0.194 41 D C 1.356 177.677 176.300 0.034 0.000 0.990 41 D CA 1.466 55.541 54.000 0.127 0.000 0.826 41 D CB -0.066 40.806 40.800 0.119 0.000 0.971 41 D HN 0.340 nan 8.370 nan 0.000 0.453 42 D N -0.403 119.921 120.400 -0.126 0.000 2.123 42 D HA -0.161 4.478 4.640 -0.001 0.000 0.196 42 D C 1.895 178.247 176.300 0.087 0.000 0.992 42 D CA 0.718 54.670 54.000 -0.080 0.000 0.833 42 D CB -0.343 40.348 40.800 -0.182 0.000 0.954 42 D HN 0.461 nan 8.370 nan 0.000 0.455 43 W N 1.353 122.623 121.300 -0.050 0.000 2.381 43 W HA 0.074 4.734 4.660 -0.001 0.000 0.301 43 W C 2.576 179.054 176.519 -0.068 0.000 1.205 43 W CA 0.521 57.760 57.345 -0.176 0.000 1.285 43 W CB -1.350 27.814 29.460 -0.493 0.000 1.133 43 W HN -0.040 nan 8.180 nan 0.000 0.521 44 A N 0.599 123.648 122.820 0.381 0.000 1.933 44 A HA -0.027 4.293 4.320 -0.001 0.000 0.218 44 A C 2.258 179.979 177.584 0.228 0.000 1.175 44 A CA 2.777 55.064 52.037 0.416 0.000 0.628 44 A CB -1.057 18.195 19.000 0.421 0.000 0.814 44 A HN 0.136 nan 8.150 nan 0.000 0.444 45 A N -0.815 122.105 122.820 0.168 0.000 1.930 45 A HA -0.159 4.161 4.320 -0.001 0.000 0.217 45 A C 2.036 179.682 177.584 0.104 0.000 1.175 45 A CA 1.494 53.595 52.037 0.106 0.000 0.627 45 A CB -0.476 18.567 19.000 0.071 0.000 0.815 45 A HN 0.640 nan 8.150 nan 0.000 0.443 46 Q N -1.704 118.166 119.800 0.117 0.000 2.436 46 Q HA 0.192 4.531 4.340 -0.001 0.000 0.209 46 Q C 1.117 177.160 176.000 0.072 0.000 0.965 46 Q CA 0.554 56.413 55.803 0.093 0.000 0.910 46 Q CB 0.012 28.805 28.738 0.092 0.000 0.980 46 Q HN 0.902 nan 8.270 nan 0.000 0.491 47 G N 1.399 110.254 108.800 0.093 0.000 2.148 47 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.203 47 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.203 47 G C -0.033 174.912 174.900 0.074 0.000 0.993 47 G CA -0.135 45.017 45.100 0.086 0.000 0.661 47 G HN 0.250 nan 8.290 nan 0.000 0.518 48 R N 0.620 121.144 120.500 0.040 0.000 2.570 48 R HA 0.433 4.772 4.340 -0.001 0.000 0.277 48 R C 0.122 176.550 176.300 0.213 0.000 1.039 48 R CA 0.247 56.318 56.100 -0.047 0.000 1.065 48 R CB 0.373 30.445 30.300 -0.380 0.000 0.964 48 R HN -0.008 nan 8.270 nan 0.000 0.428 49 K N 2.689 123.216 120.400 0.211 0.000 2.156 49 K HA 0.203 4.522 4.320 -0.001 0.000 0.254 49 K C -0.268 176.614 176.600 0.470 0.000 0.950 49 K CA -0.892 55.585 56.287 0.318 0.000 0.849 49 K CB 1.411 34.017 32.500 0.177 0.000 1.100 49 K HN 0.732 nan 8.250 nan 0.000 0.434 50 N N 0.549 119.473 118.700 0.374 0.000 2.431 50 N HA 0.118 4.857 4.740 -0.001 0.000 0.289 50 N C 1.272 176.833 175.510 0.086 0.000 1.277 50 N CA -0.474 52.712 53.050 0.227 0.000 0.972 50 N CB -0.092 38.439 38.487 0.074 0.000 1.143 50 N HN 0.627 nan 8.380 nan 0.000 0.578 51 I N -4.316 116.145 120.570 -0.182 0.000 2.657 51 I HA -0.037 4.133 4.170 -0.001 0.000 0.261 51 I C 0.306 176.198 176.117 -0.375 0.000 1.212 51 I CA 1.284 62.385 61.300 -0.332 0.000 1.453 51 I CB -0.580 37.081 38.000 -0.564 0.000 1.092 51 I HN 0.212 nan 8.210 nan 0.000 0.452 52 F N 2.023 121.989 119.950 0.027 0.000 2.693 52 F HA 0.463 4.990 4.527 -0.001 0.000 0.303 52 F C 1.868 177.696 175.800 0.046 0.000 1.097 52 F CA 0.324 58.343 58.000 0.032 0.000 1.330 52 F CB 0.213 39.227 39.000 0.024 0.000 1.067 52 F HN 0.252 nan 8.300 nan 0.000 0.565 53 G N 0.132 109.040 108.800 0.180 0.000 2.143 53 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.248 53 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.248 53 G C 0.051 175.047 174.900 0.161 0.000 0.991 53 G CA -0.167 45.022 45.100 0.149 0.000 0.689 53 G HN 0.277 nan 8.290 nan 0.000 0.522 54 Q N 0.484 120.402 119.800 0.197 0.000 2.348 54 Q HA 0.614 4.954 4.340 -0.001 0.000 0.271 54 Q C 0.555 176.667 176.000 0.186 0.000 1.067 54 Q CA 0.076 55.976 55.803 0.162 0.000 0.839 54 Q CB 1.505 30.323 28.738 0.132 0.000 1.354 54 Q HN 0.564 nan 8.270 nan 0.000 0.447 55 T N -1.513 113.146 114.554 0.175 0.000 2.904 55 T HA 0.404 4.753 4.350 -0.001 0.000 0.290 55 T C 0.358 175.132 174.700 0.122 0.000 1.018 55 T CA -0.819 61.428 62.100 0.244 0.000 1.075 55 T CB 0.605 69.607 68.868 0.224 0.000 0.986 55 T HN 0.393 nan 8.240 nan 0.000 0.523 56 L N 2.107 123.352 121.223 0.037 0.000 2.456 56 L HA 0.315 4.654 4.340 -0.001 0.000 0.272 56 L C 0.407 177.294 176.870 0.029 0.000 1.189 56 L CA 0.550 55.317 54.840 -0.120 0.000 0.846 56 L CB 0.583 42.403 42.059 -0.398 0.000 1.111 56 L HN 0.869 nan 8.230 nan 0.000 0.475 57 T N 6.908 121.470 114.554 0.014 0.000 2.811 57 T HA 0.505 4.854 4.350 -0.001 0.000 0.309 57 T C -0.010 174.717 174.700 0.046 0.000 1.005 57 T CA -0.019 62.104 62.100 0.038 0.000 0.955 57 T CB -0.443 68.438 68.868 0.021 0.000 0.970 57 T HN 0.373 nan 8.240 nan 0.000 0.496 58 I N 3.494 124.109 120.570 0.075 0.000 2.493 58 I HA 0.638 4.808 4.170 -0.001 0.000 0.298 58 I C 0.100 176.248 176.117 0.052 0.000 0.998 58 I CA -1.143 60.206 61.300 0.081 0.000 1.137 58 I CB 1.422 39.511 38.000 0.148 0.000 1.310 58 I HN 0.177 nan 8.210 nan 0.000 0.445 59 R N 3.665 124.166 120.500 0.003 0.000 2.584 59 R HA 0.333 4.673 4.340 -0.001 0.000 0.276 59 R C -1.143 175.097 176.300 -0.101 0.000 1.046 59 R CA -0.816 55.271 56.100 -0.022 0.000 0.906 59 R CB 2.323 32.622 30.300 -0.001 0.000 1.215 59 R HN 0.679 nan 8.270 nan 0.000 0.449 60 E N 3.699 123.819 120.200 -0.133 0.000 2.200 60 E HA 0.270 4.620 4.350 -0.001 0.000 0.283 60 E C -0.194 176.399 176.600 -0.011 0.000 1.015 60 E CA -0.495 55.790 56.400 -0.192 0.000 0.819 60 E CB 0.802 30.341 29.700 -0.268 0.000 1.081 60 E HN 0.212 nan 8.360 nan 0.000 0.397 61 M N 2.405 122.042 119.600 0.060 0.000 2.474 61 M HA 0.049 4.529 4.480 -0.001 0.000 0.238 61 M C 1.056 177.479 176.300 0.205 0.000 1.111 61 M CA -0.187 55.168 55.300 0.091 0.000 1.025 61 M CB 0.357 32.973 32.600 0.026 0.000 1.348 61 M HN 0.638 nan 8.290 nan 0.000 0.579 62 Q N 0.641 120.493 119.800 0.087 0.000 2.408 62 Q HA 0.106 4.445 4.340 -0.001 0.000 0.205 62 Q C -0.215 175.659 176.000 -0.210 0.000 0.919 62 Q CA 0.524 56.391 55.803 0.108 0.000 0.932 62 Q CB 0.359 29.127 28.738 0.049 0.000 1.058 62 Q HN 0.734 nan 8.270 nan 0.000 0.517 63 S N -1.426 113.919 115.700 -0.592 0.000 2.643 63 S HA 0.291 4.760 4.470 -0.001 0.000 0.266 63 S C -0.307 173.860 174.600 -0.721 0.000 1.130 63 S CA -0.429 57.044 58.200 -1.211 0.000 0.817 63 S CB 0.633 63.492 63.200 -0.568 0.000 1.107 63 S HN -0.046 nan 8.310 nan 0.000 0.471 64 E N 0.733 120.610 120.200 -0.538 0.000 2.204 64 E HA 0.155 4.504 4.350 -0.001 0.000 0.194 64 E C 2.076 178.585 176.600 -0.152 0.000 0.989 64 E CA 1.380 57.659 56.400 -0.201 0.000 0.824 64 E CB -0.416 29.227 29.700 -0.095 0.000 0.756 64 E HN 0.694 nan 8.360 nan 0.000 0.477 65 A N 0.548 123.272 122.820 -0.159 0.000 1.898 65 A HA -0.037 4.283 4.320 -0.001 0.000 0.216 65 A C 2.400 179.940 177.584 -0.074 0.000 1.181 65 A CA 1.570 53.553 52.037 -0.090 0.000 0.620 65 A CB -1.073 17.877 19.000 -0.084 0.000 0.819 65 A HN 0.360 nan 8.150 nan 0.000 0.442 66 G N -0.491 108.243 108.800 -0.109 0.000 2.402 66 G HA2 0.033 3.993 3.960 -0.001 0.000 0.216 66 G HA3 0.033 3.993 3.960 -0.001 0.000 0.216 66 G C 1.729 176.600 174.900 -0.047 0.000 1.162 66 G CA 1.370 46.429 45.100 -0.069 0.000 0.777 66 G HN 0.754 nan 8.290 nan 0.000 0.539 67 A N 1.277 124.055 122.820 -0.069 0.000 1.902 67 A HA 0.264 4.584 4.320 -0.001 0.000 0.217 67 A C 2.834 180.387 177.584 -0.051 0.000 1.181 67 A CA 2.250 54.251 52.037 -0.061 0.000 0.623 67 A CB -0.860 18.091 19.000 -0.082 0.000 0.818 67 A HN 0.789 nan 8.150 nan 0.000 0.443 68 A N -0.458 122.332 122.820 -0.050 0.000 1.908 68 A HA 0.063 4.383 4.320 -0.001 0.000 0.218 68 A C 2.412 180.068 177.584 0.119 0.000 1.181 68 A CA 2.077 54.135 52.037 0.036 0.000 0.627 68 A CB -1.405 17.629 19.000 0.057 0.000 0.818 68 A HN 0.751 nan 8.150 nan 0.000 0.445 69 G N -0.764 108.084 108.800 0.080 0.000 2.402 69 G HA2 0.043 4.002 3.960 -0.001 0.000 0.216 69 G HA3 0.043 4.002 3.960 -0.001 0.000 0.216 69 G C 1.715 176.666 174.900 0.084 0.000 1.162 69 G CA 1.341 46.502 45.100 0.103 0.000 0.777 69 G HN 0.812 nan 8.290 nan 0.000 0.539 70 A N 0.037 122.884 122.820 0.045 0.000 1.969 70 A HA 0.151 4.471 4.320 -0.001 0.000 0.218 70 A C 2.562 180.184 177.584 0.064 0.000 1.169 70 A CA 1.581 53.636 52.037 0.031 0.000 0.635 70 A CB -0.471 18.534 19.000 0.008 0.000 0.810 70 A HN 0.233 nan 8.150 nan 0.000 0.445 71 V N -0.518 119.451 119.914 0.092 0.000 2.358 71 V HA -0.285 3.834 4.120 -0.001 0.000 0.246 71 V C 2.408 178.637 176.094 0.225 0.000 1.047 71 V CA 2.219 64.601 62.300 0.138 0.000 1.035 71 V CB -0.941 30.971 31.823 0.148 0.000 0.658 71 V HN 0.852 nan 8.190 nan 0.000 0.452 72 H N -0.009 119.135 119.070 0.123 0.000 2.321 72 H HA -0.139 4.416 4.556 -0.001 0.000 0.300 72 H C 2.271 177.652 175.328 0.088 0.000 1.087 72 H CA 1.378 57.498 56.048 0.119 0.000 1.319 72 H CB -0.158 29.670 29.762 0.111 0.000 1.379 72 H HN 0.448 nan 8.280 nan 0.000 0.501 73 G N 0.135 108.945 108.800 0.017 0.000 2.418 73 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.217 73 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.217 73 G C 1.876 176.780 174.900 0.006 0.000 1.158 73 G CA 0.781 45.833 45.100 -0.080 0.000 0.771 73 G HN 0.566 nan 8.290 nan 0.000 0.545 74 A N 0.553 123.406 122.820 0.055 0.000 1.902 74 A HA 0.073 4.393 4.320 -0.001 0.000 0.217 74 A C 2.450 180.106 177.584 0.121 0.000 1.181 74 A CA 1.366 53.443 52.037 0.066 0.000 0.623 74 A CB -0.426 18.618 19.000 0.072 0.000 0.818 74 A HN 0.355 nan 8.150 nan 0.000 0.443 75 L N -0.875 120.463 121.223 0.192 0.000 2.056 75 L HA -0.149 4.190 4.340 -0.001 0.000 0.207 75 L C 3.086 180.119 176.870 0.272 0.000 1.078 75 L CA 0.966 55.988 54.840 0.304 0.000 0.749 75 L CB -0.516 41.709 42.059 0.277 0.000 0.901 75 L HN 0.423 nan 8.230 nan 0.000 0.433 76 A N 0.089 123.028 122.820 0.198 0.000 1.940 76 A HA -0.127 4.192 4.320 -0.001 0.000 0.219 76 A C 2.192 179.798 177.584 0.036 0.000 1.176 76 A CA 1.673 53.791 52.037 0.135 0.000 0.631 76 A CB -0.601 18.424 19.000 0.043 0.000 0.814 76 A HN 0.385 nan 8.150 nan 0.000 0.446 77 A N -1.457 121.361 122.820 -0.004 0.000 2.327 77 A HA 0.444 4.764 4.320 -0.001 0.000 0.228 77 A C 1.498 179.004 177.584 -0.131 0.000 1.275 77 A CA 0.925 52.924 52.037 -0.063 0.000 0.875 77 A CB -1.239 17.726 19.000 -0.058 0.000 0.925 77 A HN 1.918 nan 8.150 nan 0.000 0.493 78 G N -1.866 106.799 108.800 -0.226 0.000 2.182 78 G HA2 0.148 4.107 3.960 -0.001 0.000 0.248 78 G HA3 0.148 4.107 3.960 -0.001 0.000 0.248 78 G C 0.164 174.867 174.900 -0.329 0.000 1.042 78 G CA 0.286 45.022 45.100 -0.606 0.000 0.775 78 G HN 1.709 nan 8.290 nan 0.000 0.501 79 A N -0.052 122.810 122.820 0.070 0.000 2.331 79 A HA 0.808 5.128 4.320 -0.001 0.000 0.320 79 A C 0.349 178.144 177.584 0.352 0.000 1.138 79 A CA -0.702 51.433 52.037 0.164 0.000 0.790 79 A CB 1.031 20.060 19.000 0.049 0.000 1.206 79 A HN 0.786 nan 8.150 nan 0.000 0.470 80 L N 2.317 123.719 121.223 0.298 0.000 2.513 80 L HA 0.279 4.618 4.340 -0.001 0.000 0.272 80 L C 0.139 177.090 176.870 0.135 0.000 1.187 80 L CA 0.468 55.412 54.840 0.173 0.000 0.895 80 L CB 0.403 42.567 42.059 0.174 0.000 1.147 80 L HN 0.775 nan 8.230 nan 0.000 0.483 81 T N 1.068 115.690 114.554 0.114 0.000 2.900 81 T HA 0.531 4.881 4.350 -0.001 0.000 0.295 81 T C -0.341 174.423 174.700 0.107 0.000 1.044 81 T CA -0.567 61.597 62.100 0.106 0.000 0.995 81 T CB 2.366 71.304 68.868 0.116 0.000 1.072 81 T HN 0.579 nan 8.240 nan 0.000 0.473 82 T N 0.331 114.920 114.554 0.059 0.000 2.841 82 T HA 0.804 5.154 4.350 -0.001 0.000 0.296 82 T C -1.345 173.196 174.700 -0.265 0.000 1.166 82 T CA -0.350 61.741 62.100 -0.016 0.000 1.007 82 T CB 2.155 71.076 68.868 0.089 0.000 1.253 82 T HN 0.778 nan 8.240 nan 0.000 0.511 83 T N 1.018 115.264 114.554 -0.513 0.000 2.821 83 T HA 0.723 5.072 4.350 -0.001 0.000 0.306 83 T C -2.078 172.111 174.700 -0.853 0.000 1.313 83 T CA -0.515 61.153 62.100 -0.721 0.000 1.012 83 T CB 0.732 69.225 68.868 -0.625 0.000 1.298 83 T HN 0.410 nan 8.240 nan 0.000 0.502 84 F N 1.332 121.263 119.950 -0.031 0.000 2.529 84 F HA 0.779 5.305 4.527 -0.001 0.000 0.320 84 F C 0.606 176.373 175.800 -0.054 0.000 1.118 84 F CA -0.612 57.405 58.000 0.030 0.000 0.915 84 F CB 2.482 41.530 39.000 0.079 0.000 1.161 84 F HN 0.644 nan 8.300 nan 0.000 0.445 85 T N 0.898 115.503 114.554 0.085 0.000 2.658 85 T HA 0.861 5.211 4.350 -0.001 0.000 0.305 85 T C -1.920 172.764 174.700 -0.028 0.000 1.551 85 T CA -0.212 61.893 62.100 0.008 0.000 0.985 85 T CB 1.415 70.242 68.868 -0.069 0.000 1.731 85 T HN 1.201 nan 8.240 nan 0.000 0.486 86 A N 0.385 123.182 122.820 -0.038 0.000 2.586 86 A HA 0.820 5.139 4.320 -0.001 0.000 0.290 86 A C 0.639 178.196 177.584 -0.044 0.000 1.086 86 A CA 0.666 52.666 52.037 -0.062 0.000 0.665 86 A CB 0.566 19.518 19.000 -0.081 0.000 1.279 86 A HN 2.035 nan 8.150 nan 0.000 0.423 87 S N -0.688 114.980 115.700 -0.053 0.000 4.105 87 S HA -0.358 4.111 4.470 -0.001 0.000 0.539 87 S C 1.746 176.335 174.600 -0.018 0.000 1.658 87 S CA 2.395 60.575 58.200 -0.034 0.000 3.958 87 S CB -1.031 62.154 63.200 -0.024 0.000 1.434 87 S HN 1.145 nan 8.310 nan 0.000 0.537 88 Q N 0.843 120.645 119.800 0.004 0.000 2.173 88 Q HA -0.122 4.218 4.340 -0.001 0.000 0.208 88 Q C 2.328 178.343 176.000 0.026 0.000 0.989 88 Q CA 2.175 57.993 55.803 0.024 0.000 0.872 88 Q CB -1.440 27.334 28.738 0.060 0.000 0.909 88 Q HN 0.820 nan 8.270 nan 0.000 0.420 89 G N 0.883 109.700 108.800 0.030 0.000 2.402 89 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.216 89 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.216 89 G C 1.480 176.366 174.900 -0.024 0.000 1.162 89 G CA 0.651 45.764 45.100 0.021 0.000 0.777 89 G HN 0.322 nan 8.290 nan 0.000 0.539 90 L N 0.709 121.910 121.223 -0.037 0.000 2.083 90 L HA 0.066 4.405 4.340 -0.001 0.000 0.209 90 L C 2.715 179.556 176.870 -0.048 0.000 1.083 90 L CA 1.244 56.053 54.840 -0.053 0.000 0.752 90 L CB -0.439 41.577 42.059 -0.071 0.000 0.899 90 L HN 0.187 nan 8.230 nan 0.000 0.433 91 L N -1.245 119.956 121.223 -0.036 0.000 2.012 91 L HA -0.275 4.064 4.340 -0.001 0.000 0.210 91 L C 2.463 179.321 176.870 -0.019 0.000 1.073 91 L CA 1.468 56.291 54.840 -0.027 0.000 0.748 91 L CB -0.681 41.369 42.059 -0.015 0.000 0.891 91 L HN 0.317 nan 8.230 nan 0.000 0.431 92 L N -0.994 120.215 121.223 -0.022 0.000 2.362 92 L HA -0.182 4.158 4.340 -0.001 0.000 0.219 92 L C 2.406 179.264 176.870 -0.021 0.000 1.134 92 L CA 0.939 55.762 54.840 -0.028 0.000 0.807 92 L CB -0.306 41.722 42.059 -0.051 0.000 0.927 92 L HN 0.398 nan 8.230 nan 0.000 0.447 93 M N -1.065 118.524 119.600 -0.020 0.000 2.514 93 M HA -0.036 4.443 4.480 -0.001 0.000 0.258 93 M C 2.113 178.427 176.300 0.022 0.000 1.119 93 M CA 0.803 56.111 55.300 0.013 0.000 1.111 93 M CB 0.050 32.668 32.600 0.030 0.000 1.390 93 M HN 0.180 nan 8.290 nan 0.000 0.475 94 I N 1.082 121.645 120.570 -0.012 0.000 2.145 94 I HA -0.275 3.895 4.170 -0.001 0.000 0.244 94 I C -0.628 175.552 176.117 0.105 0.000 1.075 94 I CA 1.916 63.202 61.300 -0.024 0.000 1.332 94 I CB -1.623 36.377 38.000 -0.000 0.000 1.033 94 I HN 0.156 nan 8.210 nan 0.000 0.410 95 P HA -0.138 nan 4.420 nan 0.000 0.215 95 P C 1.222 178.630 177.300 0.180 0.000 1.153 95 P CA 1.412 64.623 63.100 0.185 0.000 0.853 95 P CB -0.085 31.668 31.700 0.089 0.000 0.788 96 N N -1.538 117.236 118.700 0.124 0.000 2.409 96 N HA 0.014 4.753 4.740 -0.001 0.000 0.179 96 N C 1.601 177.165 175.510 0.091 0.000 1.032 96 N CA 0.872 53.993 53.050 0.119 0.000 0.898 96 N CB -0.277 38.302 38.487 0.154 0.000 0.971 96 N HN 0.211 nan 8.380 nan 0.000 0.441 97 M N -0.615 119.005 119.600 0.032 0.000 2.117 97 M HA -0.175 4.305 4.480 -0.001 0.000 0.262 97 M C 1.625 177.965 176.300 0.067 0.000 1.065 97 M CA 1.451 56.707 55.300 -0.074 0.000 1.114 97 M CB -0.465 31.801 32.600 -0.557 0.000 1.361 97 M HN 0.118 nan 8.290 nan 0.000 0.408 98 Y N 0.499 120.809 120.300 0.017 0.000 2.165 98 Y HA -0.250 4.299 4.550 -0.001 0.000 0.286 98 Y C 2.593 178.495 175.900 0.002 0.000 1.155 98 Y CA 1.139 59.253 58.100 0.023 0.000 1.164 98 Y CB -0.217 38.249 38.460 0.010 0.000 0.978 98 Y HN 0.063 nan 8.280 nan 0.000 0.513 99 K N 0.256 120.732 120.400 0.126 0.000 2.057 99 K HA -0.108 4.212 4.320 -0.001 0.000 0.206 99 K C 2.000 178.477 176.600 -0.205 0.000 1.050 99 K CA 1.247 57.502 56.287 -0.054 0.000 0.935 99 K CB -0.588 31.825 32.500 -0.145 0.000 0.715 99 K HN 0.388 nan 8.250 nan 0.000 0.439 100 I N 1.407 121.861 120.570 -0.193 0.000 2.286 100 I HA -0.273 3.896 4.170 -0.001 0.000 0.248 100 I C 2.386 178.418 176.117 -0.142 0.000 1.115 100 I CA 1.428 62.624 61.300 -0.174 0.000 1.392 100 I CB -0.256 37.741 38.000 -0.005 0.000 1.065 100 I HN 0.148 nan 8.210 nan 0.000 0.418 101 S N 0.367 116.031 115.700 -0.060 0.000 2.406 101 S HA 0.009 4.479 4.470 -0.001 0.000 0.224 101 S C 2.183 176.778 174.600 -0.007 0.000 1.030 101 S CA 0.620 58.764 58.200 -0.092 0.000 0.958 101 S CB -0.940 62.276 63.200 0.026 0.000 0.811 101 S HN 0.419 nan 8.310 nan 0.000 0.489 102 G N 1.292 110.114 108.800 0.036 0.000 2.450 102 G HA2 -0.126 3.833 3.960 -0.001 0.000 0.220 102 G HA3 -0.126 3.833 3.960 -0.001 0.000 0.220 102 G C 1.225 176.127 174.900 0.003 0.000 1.130 102 G CA 0.633 45.760 45.100 0.045 0.000 0.760 102 G HN 0.634 nan 8.290 nan 0.000 0.557 103 E N -0.173 120.015 120.200 -0.020 0.000 2.437 103 E HA 0.328 4.677 4.350 -0.001 0.000 0.189 103 E C 0.360 176.924 176.600 -0.060 0.000 1.054 103 E CA -0.459 55.937 56.400 -0.007 0.000 0.874 103 E CB -0.075 29.660 29.700 0.058 0.000 1.011 103 E HN 0.276 nan 8.360 nan 0.000 0.474 104 L N 1.381 122.525 121.223 -0.130 0.000 3.879 104 L HA -0.244 4.096 4.340 -0.001 0.000 0.481 104 L C -0.682 176.090 176.870 -0.164 0.000 1.232 104 L CA 0.304 55.008 54.840 -0.227 0.000 0.736 104 L CB -1.375 40.452 42.059 -0.387 0.000 1.511 104 L HN 0.304 nan 8.230 nan 0.000 0.830 105 L N 2.331 123.465 121.223 -0.148 0.000 2.295 105 L HA 0.401 4.740 4.340 -0.001 0.000 0.285 105 L C -1.332 175.401 176.870 -0.228 0.000 1.035 105 L CA -1.662 53.121 54.840 -0.095 0.000 0.806 105 L CB 1.402 43.465 42.059 0.007 0.000 1.214 105 L HN -0.066 nan 8.230 nan 0.000 0.426 106 P HA 0.049 nan 4.420 nan 0.000 0.238 106 P C 0.266 177.389 177.300 -0.294 0.000 1.714 106 P CA 0.023 62.909 63.100 -0.356 0.000 0.908 106 P CB -0.015 31.365 31.700 -0.533 0.000 1.893 107 G N -0.058 108.592 108.800 -0.250 0.000 2.504 107 G HA2 0.463 4.423 3.960 -0.001 0.000 0.288 107 G HA3 0.463 4.423 3.960 -0.001 0.000 0.288 107 G C -0.925 173.867 174.900 -0.181 0.000 1.182 107 G CA -0.294 44.726 45.100 -0.132 0.000 0.894 107 G HN 0.129 nan 8.290 nan 0.000 0.521 108 V N 0.895 120.774 119.914 -0.057 0.000 2.569 108 V HA 0.385 4.505 4.120 -0.001 0.000 0.301 108 V C -0.897 175.274 176.094 0.129 0.000 1.044 108 V CA -0.594 61.611 62.300 -0.158 0.000 0.874 108 V CB 1.437 32.848 31.823 -0.686 0.000 1.002 108 V HN 0.663 nan 8.190 nan 0.000 0.424 109 F N 2.891 122.762 119.950 -0.130 0.000 2.427 109 F HA 0.518 5.045 4.527 -0.001 0.000 0.346 109 F C 0.343 176.003 175.800 -0.234 0.000 1.120 109 F CA -0.757 57.158 58.000 -0.142 0.000 1.033 109 F CB 1.440 40.426 39.000 -0.023 0.000 1.126 109 F HN 0.560 nan 8.300 nan 0.000 0.462 110 H N 2.232 121.440 119.070 0.231 0.000 2.556 110 H HA 0.421 4.977 4.556 -0.001 0.000 0.310 110 H C -0.727 174.700 175.328 0.166 0.000 1.057 110 H CA -0.488 55.748 56.048 0.314 0.000 1.264 110 H CB 1.368 31.451 29.762 0.535 0.000 1.404 110 H HN 0.227 nan 8.280 nan 0.000 0.462 111 V N 3.406 123.376 119.914 0.094 0.000 2.448 111 V HA 0.222 4.342 4.120 -0.001 0.000 0.295 111 V C 0.175 176.017 176.094 -0.420 0.000 1.025 111 V CA -0.963 61.284 62.300 -0.088 0.000 0.859 111 V CB 1.751 33.544 31.823 -0.050 0.000 0.988 111 V HN 0.907 nan 8.190 nan 0.000 0.431 112 T N 2.013 116.312 114.554 -0.425 0.000 2.811 112 T HA 0.638 4.988 4.350 -0.001 0.000 0.309 112 T C 0.264 174.805 174.700 -0.265 0.000 1.005 112 T CA -0.235 61.520 62.100 -0.574 0.000 0.955 112 T CB 0.849 69.494 68.868 -0.372 0.000 0.970 112 T HN 0.990 nan 8.240 nan 0.000 0.496 113 A N 4.284 126.996 122.820 -0.179 0.000 2.561 113 A HA 0.412 4.732 4.320 -0.001 0.000 0.251 113 A C 0.669 178.248 177.584 -0.009 0.000 1.062 113 A CA -0.257 51.747 52.037 -0.055 0.000 0.761 113 A CB -0.118 18.940 19.000 0.097 0.000 0.986 113 A HN 0.989 nan 8.150 nan 0.000 0.510 114 R N 2.426 122.909 120.500 -0.028 0.000 2.795 114 R HA 0.645 4.985 4.340 -0.001 0.000 0.275 114 R C -0.157 176.145 176.300 0.003 0.000 0.981 114 R CA -0.260 55.842 56.100 0.003 0.000 0.917 114 R CB 1.579 31.863 30.300 -0.027 0.000 1.202 114 R HN 0.904 nan 8.270 nan 0.000 0.469 115 A N 3.822 126.660 122.820 0.029 0.000 2.483 115 A HA 0.282 4.602 4.320 -0.001 0.000 0.238 115 A C 0.086 177.674 177.584 0.007 0.000 1.070 115 A CA -0.227 51.822 52.037 0.021 0.000 0.770 115 A CB 0.156 19.183 19.000 0.045 0.000 1.008 115 A HN 0.513 nan 8.150 nan 0.000 0.497 116 I N 0.993 121.566 120.570 0.004 0.000 2.499 116 I HA 0.380 4.549 4.170 -0.001 0.000 0.296 116 I C 0.982 177.096 176.117 -0.006 0.000 0.992 116 I CA -0.365 60.934 61.300 -0.001 0.000 1.297 116 I CB 0.974 38.974 38.000 0.001 0.000 1.410 116 I HN 0.708 nan 8.210 nan 0.000 0.507 117 A N 4.434 127.244 122.820 -0.017 0.000 2.409 117 A HA 0.638 4.957 4.320 -0.001 0.000 0.267 117 A C 0.408 177.973 177.584 -0.032 0.000 1.127 117 A CA 0.450 52.462 52.037 -0.041 0.000 0.795 117 A CB 0.371 19.346 19.000 -0.042 0.000 1.061 117 A HN 0.985 nan 8.150 nan 0.000 0.502 118 A N 1.747 124.542 122.820 -0.042 0.000 2.017 118 A HA 0.376 4.696 4.320 -0.001 0.000 0.194 118 A C 1.544 179.137 177.584 0.014 0.000 1.985 118 A CA 0.525 52.573 52.037 0.019 0.000 1.584 118 A CB -0.522 18.535 19.000 0.095 0.000 1.244 118 A HN 1.078 nan 8.150 nan 0.000 0.587 119 H N 0.493 119.583 119.070 0.034 0.000 2.524 119 H HA 0.460 5.015 4.556 -0.001 0.000 0.282 119 H C 0.343 175.715 175.328 0.074 0.000 1.016 119 H CA 1.435 57.519 56.048 0.060 0.000 1.270 119 H CB -0.237 29.562 29.762 0.062 0.000 1.394 119 H HN 0.784 nan 8.280 nan 0.000 0.568 120 A N 0.534 122.921 122.820 -0.720 0.000 2.601 120 A HA 0.491 4.810 4.320 -0.001 0.000 0.291 120 A C -1.454 175.961 177.584 -0.281 0.000 1.075 120 A CA -0.768 50.989 52.037 -0.466 0.000 0.671 120 A CB 0.989 19.651 19.000 -0.562 0.000 1.277 120 A HN 0.272 nan 8.150 nan 0.000 0.417 121 L N 0.792 121.932 121.223 -0.138 0.000 2.357 121 L HA 0.812 5.151 4.340 -0.001 0.000 0.273 121 L C 0.015 176.860 176.870 -0.042 0.000 1.080 121 L CA -0.053 54.744 54.840 -0.072 0.000 0.803 121 L CB 1.581 43.620 42.059 -0.034 0.000 1.174 121 L HN 0.840 nan 8.230 nan 0.000 0.443 122 S N 3.605 119.299 115.700 -0.009 0.000 2.546 122 S HA 0.393 4.862 4.470 -0.001 0.000 0.272 122 S C 0.314 174.923 174.600 0.015 0.000 1.140 122 S CA -0.824 57.409 58.200 0.056 0.000 0.920 122 S CB 1.376 64.642 63.200 0.109 0.000 1.083 122 S HN 0.683 nan 8.310 nan 0.000 0.476 123 I N 0.911 121.435 120.570 -0.076 0.000 3.860 123 I HA 0.455 4.625 4.170 -0.001 0.000 0.319 123 I C -0.327 175.687 176.117 -0.172 0.000 1.279 123 I CA -0.198 60.996 61.300 -0.176 0.000 1.220 123 I CB -0.134 37.699 38.000 -0.278 0.000 1.027 123 I HN 0.303 nan 8.210 nan 0.000 0.428 124 F N 2.343 122.378 119.950 0.142 0.000 2.375 124 F HA 0.615 5.141 4.527 -0.001 0.000 0.313 124 F C 1.448 177.340 175.800 0.154 0.000 1.176 124 F CA -0.348 57.771 58.000 0.198 0.000 1.142 124 F CB 0.302 39.327 39.000 0.042 0.000 1.275 124 F HN -0.121 nan 8.300 nan 0.000 0.544 125 G N 0.301 109.341 108.800 0.399 0.000 2.372 125 G HA2 0.511 4.471 3.960 -0.001 0.000 0.283 125 G HA3 0.511 4.471 3.960 -0.001 0.000 0.283 125 G C -1.481 173.462 174.900 0.071 0.000 1.177 125 G CA -0.203 45.020 45.100 0.206 0.000 0.842 125 G HN 0.734 nan 8.290 nan 0.000 0.503 126 D N -1.498 118.906 120.400 0.008 0.000 2.769 126 D HA 0.079 4.718 4.640 -0.001 0.000 0.309 126 D C -0.350 175.924 176.300 -0.044 0.000 1.315 126 D CA -0.744 53.164 54.000 -0.154 0.000 0.780 126 D CB 0.183 40.886 40.800 -0.162 0.000 1.312 126 D HN 0.420 nan 8.370 nan 0.000 0.437 127 H N -0.612 118.370 119.070 -0.145 0.000 2.505 127 H HA 0.215 4.770 4.556 -0.001 0.000 0.289 127 H C 0.893 176.118 175.328 -0.172 0.000 1.052 127 H CA -0.148 55.734 56.048 -0.277 0.000 1.156 127 H CB 0.591 30.039 29.762 -0.524 0.000 1.507 127 H HN 0.267 nan 8.280 nan 0.000 0.548 128 Q N 1.032 120.860 119.800 0.046 0.000 2.096 128 Q HA -0.189 4.151 4.340 -0.001 0.000 0.204 128 Q C 1.751 177.756 176.000 0.010 0.000 0.982 128 Q CA 1.812 57.654 55.803 0.065 0.000 0.850 128 Q CB 0.068 28.822 28.738 0.027 0.000 0.901 128 Q HN 0.665 nan 8.270 nan 0.000 0.422 129 D N 1.009 121.378 120.400 -0.052 0.000 2.084 129 D HA -0.193 4.446 4.640 -0.001 0.000 0.196 129 D C 1.881 178.081 176.300 -0.166 0.000 0.985 129 D CA 1.474 55.420 54.000 -0.089 0.000 0.826 129 D CB -0.659 40.087 40.800 -0.090 0.000 0.978 129 D HN 0.455 nan 8.370 nan 0.000 0.456 130 I N -2.343 118.037 120.570 -0.317 0.000 2.454 130 I HA -0.129 4.041 4.170 -0.001 0.000 0.254 130 I C 2.268 178.161 176.117 -0.373 0.000 1.156 130 I CA 0.954 61.959 61.300 -0.493 0.000 1.433 130 I CB -1.090 36.303 38.000 -1.013 0.000 1.082 130 I HN -0.066 nan 8.210 nan 0.000 0.432 131 Y N 1.133 121.284 120.300 -0.249 0.000 2.439 131 Y HA 0.107 4.657 4.550 -0.001 0.000 0.292 131 Y C 2.661 178.503 175.900 -0.097 0.000 1.130 131 Y CA 0.329 58.337 58.100 -0.153 0.000 1.254 131 Y CB -0.084 38.307 38.460 -0.115 0.000 1.000 131 Y HN 0.284 nan 8.280 nan 0.000 0.554 132 A N -0.308 122.538 122.820 0.043 0.000 2.168 132 A HA 0.087 4.406 4.320 -0.001 0.000 0.215 132 A C 1.950 179.509 177.584 -0.042 0.000 1.152 132 A CA 1.338 53.377 52.037 0.004 0.000 0.716 132 A CB -0.517 18.474 19.000 -0.015 0.000 0.794 132 A HN 0.328 nan 8.150 nan 0.000 0.465 133 A N -0.105 122.661 122.820 -0.090 0.000 2.470 133 A HA 0.242 4.562 4.320 -0.001 0.000 0.251 133 A C 1.689 179.184 177.584 -0.147 0.000 1.245 133 A CA 0.359 52.292 52.037 -0.173 0.000 0.932 133 A CB -0.293 18.550 19.000 -0.262 0.000 1.037 133 A HN 0.600 nan 8.150 nan 0.000 0.522 134 R N 0.449 120.935 120.500 -0.023 0.000 2.303 134 R HA -0.145 4.195 4.340 -0.001 0.000 0.225 134 R C 1.278 177.566 176.300 -0.021 0.000 1.114 134 R CA 1.590 57.721 56.100 0.053 0.000 1.007 134 R CB -0.149 30.302 30.300 0.252 0.000 0.861 134 R HN 0.491 nan 8.270 nan 0.000 0.471 135 Q N 1.076 120.832 119.800 -0.074 0.000 2.282 135 Q HA 0.017 4.357 4.340 -0.001 0.000 0.206 135 Q C 0.899 176.769 176.000 -0.217 0.000 0.878 135 Q CA 1.006 56.764 55.803 -0.075 0.000 0.944 135 Q CB 0.387 29.137 28.738 0.019 0.000 1.100 135 Q HN 0.390 nan 8.270 nan 0.000 0.509 136 T N -3.125 111.170 114.554 -0.432 0.000 3.072 136 T HA 0.253 4.602 4.350 -0.001 0.000 0.266 136 T C 1.429 175.970 174.700 -0.265 0.000 1.127 136 T CA 0.922 62.553 62.100 -0.782 0.000 1.107 136 T CB -0.124 68.303 68.868 -0.736 0.000 0.910 136 T HN 0.533 nan 8.240 nan 0.000 0.513 137 G N 0.393 109.143 108.800 -0.084 0.000 2.176 137 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.232 137 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.232 137 G C -0.166 174.841 174.900 0.178 0.000 0.986 137 G CA -0.374 44.752 45.100 0.043 0.000 0.643 137 G HN 0.483 nan 8.290 nan 0.000 0.522 138 F N 1.889 121.740 119.950 -0.166 0.000 2.399 138 F HA 0.683 5.210 4.527 -0.001 0.000 0.342 138 F C 1.028 176.683 175.800 -0.242 0.000 1.106 138 F CA -0.189 57.667 58.000 -0.239 0.000 1.196 138 F CB 1.274 40.089 39.000 -0.308 0.000 1.163 138 F HN 0.336 nan 8.300 nan 0.000 0.547 139 A N 4.886 127.484 122.820 -0.371 0.000 2.351 139 A HA 0.651 4.971 4.320 -0.001 0.000 0.257 139 A C -0.492 176.941 177.584 -0.252 0.000 1.087 139 A CA -0.401 51.310 52.037 -0.543 0.000 0.798 139 A CB 0.241 18.307 19.000 -1.556 0.000 1.033 139 A HN 0.774 nan 8.150 nan 0.000 0.488 140 M N 1.739 121.322 119.600 -0.029 0.000 2.204 140 M HA 0.385 4.865 4.480 -0.001 0.000 0.293 140 M C -1.379 175.117 176.300 0.325 0.000 0.994 140 M CA -0.352 55.107 55.300 0.265 0.000 0.925 140 M CB 1.877 34.705 32.600 0.380 0.000 1.577 140 M HN 0.525 nan 8.290 nan 0.000 0.439 141 L N 3.304 124.728 121.223 0.335 0.000 2.349 141 L HA 0.884 5.224 4.340 -0.001 0.000 0.278 141 L C -0.718 176.038 176.870 -0.191 0.000 0.996 141 L CA -0.190 54.741 54.840 0.152 0.000 0.825 141 L CB 1.561 43.767 42.059 0.244 0.000 1.243 141 L HN 0.798 nan 8.230 nan 0.000 0.412 142 A N 3.247 125.797 122.820 -0.450 0.000 2.306 142 A HA 0.815 5.134 4.320 -0.001 0.000 0.314 142 A C -0.366 177.028 177.584 -0.316 0.000 1.164 142 A CA -0.123 51.383 52.037 -0.884 0.000 0.822 142 A CB 0.735 19.229 19.000 -0.844 0.000 1.130 142 A HN 0.817 nan 8.150 nan 0.000 0.496 143 S N 0.346 115.928 115.700 -0.196 0.000 2.513 143 S HA 0.566 5.036 4.470 -0.001 0.000 0.299 143 S C 0.262 174.886 174.600 0.041 0.000 1.087 143 S CA 0.112 58.312 58.200 -0.000 0.000 1.012 143 S CB 1.637 64.942 63.200 0.175 0.000 1.044 143 S HN 1.377 nan 8.310 nan 0.000 0.485 144 S N 0.433 116.179 115.700 0.076 0.000 2.559 144 S HA 0.424 4.894 4.470 -0.001 0.000 0.226 144 S C 0.395 175.077 174.600 0.136 0.000 1.000 144 S CA 0.138 58.414 58.200 0.125 0.000 0.948 144 S CB -0.593 62.685 63.200 0.131 0.000 0.870 144 S HN 1.389 nan 8.310 nan 0.000 0.497 145 S N -0.758 115.011 115.700 0.116 0.000 2.596 145 S HA 0.559 5.028 4.470 -0.001 0.000 0.270 145 S C 0.631 175.273 174.600 0.069 0.000 1.155 145 S CA -0.377 57.884 58.200 0.103 0.000 0.827 145 S CB 0.939 64.200 63.200 0.101 0.000 1.130 145 S HN -0.032 nan 8.310 nan 0.000 0.467 146 V N 1.293 121.244 119.914 0.061 0.000 2.332 146 V HA -0.191 3.929 4.120 -0.001 0.000 0.248 146 V C 2.881 178.993 176.094 0.029 0.000 1.055 146 V CA 2.656 64.971 62.300 0.024 0.000 1.038 146 V CB -1.068 30.784 31.823 0.049 0.000 0.651 146 V HN 0.987 nan 8.190 nan 0.000 0.450 147 Q N 0.165 120.002 119.800 0.062 0.000 2.167 147 Q HA -0.174 4.166 4.340 -0.001 0.000 0.202 147 Q C 2.088 178.160 176.000 0.120 0.000 0.970 147 Q CA 1.751 57.600 55.803 0.078 0.000 0.855 147 Q CB -0.229 28.562 28.738 0.090 0.000 0.911 147 Q HN 0.687 nan 8.270 nan 0.000 0.438 148 E N -0.652 119.613 120.200 0.109 0.000 2.152 148 E HA -0.107 4.243 4.350 -0.001 0.000 0.192 148 E C 1.809 178.419 176.600 0.017 0.000 0.983 148 E CA 0.619 57.061 56.400 0.070 0.000 0.818 148 E CB -0.104 29.640 29.700 0.072 0.000 0.758 148 E HN 0.500 nan 8.360 nan 0.000 0.467 149 A N 1.600 124.429 122.820 0.015 0.000 1.883 149 A HA -0.258 4.062 4.320 -0.001 0.000 0.217 149 A C 2.085 179.659 177.584 -0.016 0.000 1.186 149 A CA 1.813 53.840 52.037 -0.017 0.000 0.624 149 A CB -0.839 17.928 19.000 -0.387 0.000 0.822 149 A HN 0.373 nan 8.150 nan 0.000 0.444 150 H N 0.335 119.364 119.070 -0.069 0.000 2.290 150 H HA -0.152 4.404 4.556 -0.001 0.000 0.298 150 H C 1.418 176.712 175.328 -0.057 0.000 1.087 150 H CA 2.095 58.122 56.048 -0.036 0.000 1.291 150 H CB -0.313 29.445 29.762 -0.008 0.000 1.369 150 H HN 0.403 nan 8.280 nan 0.000 0.492 151 D N 0.449 120.955 120.400 0.176 0.000 2.097 151 D HA -0.135 4.505 4.640 -0.001 0.000 0.195 151 D C 2.425 178.617 176.300 -0.180 0.000 0.989 151 D CA 0.928 54.971 54.000 0.072 0.000 0.827 151 D CB -0.153 40.719 40.800 0.120 0.000 0.966 151 D HN 0.351 nan 8.370 nan 0.000 0.456 152 M N 0.504 119.931 119.600 -0.288 0.000 2.254 152 M HA 0.045 4.525 4.480 -0.001 0.000 0.265 152 M C 2.240 178.225 176.300 -0.525 0.000 1.066 152 M CA 0.497 55.572 55.300 -0.376 0.000 1.123 152 M CB -1.096 31.334 32.600 -0.285 0.000 1.388 152 M HN -0.046 nan 8.290 nan 0.000 0.425 153 A N 0.409 122.842 122.820 -0.644 0.000 1.902 153 A HA -0.132 4.188 4.320 -0.001 0.000 0.217 153 A C 2.308 179.840 177.584 -0.087 0.000 1.181 153 A CA 1.190 53.006 52.037 -0.368 0.000 0.623 153 A CB -0.844 18.038 19.000 -0.197 0.000 0.818 153 A HN 0.445 nan 8.150 nan 0.000 0.443 154 L N -0.168 120.933 121.223 -0.204 0.000 2.056 154 L HA -0.120 4.220 4.340 -0.001 0.000 0.207 154 L C 2.489 179.244 176.870 -0.191 0.000 1.078 154 L CA 1.539 56.274 54.840 -0.176 0.000 0.749 154 L CB -0.369 41.573 42.059 -0.195 0.000 0.901 154 L HN 0.281 nan 8.230 nan 0.000 0.433 155 V N 0.276 120.067 119.914 -0.205 0.000 2.343 155 V HA -0.283 3.837 4.120 -0.001 0.000 0.247 155 V C 2.842 178.681 176.094 -0.424 0.000 1.051 155 V CA 1.616 63.776 62.300 -0.233 0.000 1.036 155 V CB -0.962 30.770 31.823 -0.151 0.000 0.654 155 V HN 0.556 nan 8.190 nan 0.000 0.451 156 A N -0.984 121.577 122.820 -0.431 0.000 1.865 156 A HA -0.278 4.041 4.320 -0.001 0.000 0.217 156 A C 2.157 179.269 177.584 -0.786 0.000 1.191 156 A CA 2.032 53.632 52.037 -0.729 0.000 0.623 156 A CB -0.853 17.961 19.000 -0.310 0.000 0.826 156 A HN 0.661 nan 8.150 nan 0.000 0.444 157 H N -0.422 118.395 119.070 -0.422 0.000 2.293 157 H HA -0.073 4.483 4.556 -0.001 0.000 0.300 157 H C 2.177 177.230 175.328 -0.459 0.000 1.082 157 H CA 1.897 57.736 56.048 -0.349 0.000 1.308 157 H CB -0.325 29.305 29.762 -0.219 0.000 1.375 157 H HN 0.415 nan 8.280 nan 0.000 0.495 158 L N 0.152 121.112 121.223 -0.439 0.000 2.046 158 L HA -0.156 4.183 4.340 -0.001 0.000 0.208 158 L C 2.921 179.280 176.870 -0.851 0.000 1.077 158 L CA 1.069 55.461 54.840 -0.747 0.000 0.747 158 L CB -0.432 40.947 42.059 -1.132 0.000 0.896 158 L HN 0.208 nan 8.230 nan 0.000 0.432 159 A N -0.306 122.042 122.820 -0.786 0.000 1.968 159 A HA -0.054 4.266 4.320 -0.001 0.000 0.217 159 A C 2.505 179.861 177.584 -0.380 0.000 1.169 159 A CA 1.425 53.165 52.037 -0.495 0.000 0.638 159 A CB -0.578 18.087 19.000 -0.558 0.000 0.812 159 A HN 0.384 nan 8.150 nan 0.000 0.446 160 A N 0.091 122.571 122.820 -0.566 0.000 1.898 160 A HA -0.035 4.284 4.320 -0.001 0.000 0.216 160 A C 2.087 179.543 177.584 -0.213 0.000 1.181 160 A CA 1.409 53.301 52.037 -0.241 0.000 0.620 160 A CB -0.551 18.282 19.000 -0.279 0.000 0.819 160 A HN 0.475 nan 8.150 nan 0.000 0.442 161 I N -0.709 119.706 120.570 -0.259 0.000 2.179 161 I HA -0.252 3.917 4.170 -0.001 0.000 0.242 161 I C 2.603 178.656 176.117 -0.106 0.000 1.088 161 I CA 1.906 63.078 61.300 -0.214 0.000 1.357 161 I CB -0.244 37.649 38.000 -0.178 0.000 1.051 161 I HN 0.529 nan 8.210 nan 0.000 0.409 162 E N 0.644 120.812 120.200 -0.054 0.000 2.112 162 E HA -0.184 4.165 4.350 -0.001 0.000 0.190 162 E C 2.239 178.883 176.600 0.073 0.000 0.979 162 E CA 1.400 57.837 56.400 0.062 0.000 0.814 162 E CB 0.117 29.942 29.700 0.208 0.000 0.762 162 E HN 0.489 nan 8.360 nan 0.000 0.460 163 S N -0.236 115.501 115.700 0.063 0.000 2.446 163 S HA -0.036 4.434 4.470 -0.001 0.000 0.225 163 S C 0.743 175.391 174.600 0.080 0.000 1.016 163 S CA 0.873 59.128 58.200 0.091 0.000 0.943 163 S CB -0.163 63.105 63.200 0.113 0.000 0.786 163 S HN 0.469 nan 8.310 nan 0.000 0.508 164 N N -0.733 117.952 118.700 -0.024 0.000 2.901 164 N HA -0.112 4.627 4.740 -0.001 0.000 0.248 164 N C -1.219 174.157 175.510 -0.224 0.000 1.044 164 N CA 0.752 53.729 53.050 -0.120 0.000 0.847 164 N CB -1.554 36.866 38.487 -0.112 0.000 1.127 164 N HN 0.358 nan 8.380 nan 0.000 0.562 165 V N 1.248 121.038 119.914 -0.206 0.000 2.417 165 V HA 0.482 4.601 4.120 -0.001 0.000 0.291 165 V C -1.851 174.038 176.094 -0.341 0.000 1.024 165 V CA -1.529 60.550 62.300 -0.367 0.000 0.861 165 V CB 1.690 33.212 31.823 -0.502 0.000 0.985 165 V HN -0.065 nan 8.190 nan 0.000 0.436 166 P HA 0.229 nan 4.420 nan 0.000 0.272 166 P C -1.148 175.672 177.300 -0.799 0.000 1.223 166 P CA -0.029 62.569 63.100 -0.836 0.000 0.784 166 P CB 0.687 31.435 31.700 -1.586 0.000 0.923 167 F N 1.107 120.688 119.950 -0.614 0.000 2.508 167 F HA 0.512 5.039 4.527 -0.001 0.000 0.325 167 F C 0.739 176.538 175.800 -0.002 0.000 1.090 167 F CA -0.852 56.994 58.000 -0.256 0.000 0.945 167 F CB 2.081 40.955 39.000 -0.211 0.000 1.156 167 F HN 0.146 nan 8.300 nan 0.000 0.463 168 M N 4.542 124.341 119.600 0.331 0.000 2.043 168 M HA 0.307 4.786 4.480 -0.001 0.000 0.322 168 M C -1.620 174.921 176.300 0.401 0.000 0.962 168 M CA -0.646 54.848 55.300 0.324 0.000 0.927 168 M CB 0.501 33.230 32.600 0.214 0.000 1.466 168 M HN 0.736 nan 8.290 nan 0.000 0.412 169 H N 6.292 125.507 119.070 0.241 0.000 2.562 169 H HA 0.546 5.102 4.556 -0.001 0.000 0.314 169 H C -1.913 173.649 175.328 0.390 0.000 1.079 169 H CA -0.339 55.878 56.048 0.281 0.000 1.349 169 H CB 0.429 30.367 29.762 0.294 0.000 1.432 169 H HN 0.569 nan 8.280 nan 0.000 0.479 170 F N 4.357 124.215 119.950 -0.154 0.000 2.588 170 F HA 0.692 5.219 4.527 -0.001 0.000 0.314 170 F C -1.945 173.788 175.800 -0.111 0.000 1.069 170 F CA -1.468 56.366 58.000 -0.276 0.000 0.931 170 F CB 1.290 40.142 39.000 -0.247 0.000 1.260 170 F HN 0.389 nan 8.300 nan 0.000 0.465 171 F N -1.010 118.903 119.950 -0.061 0.000 2.631 171 F HA 0.530 5.057 4.527 -0.001 0.000 0.308 171 F C -1.253 174.635 175.800 0.148 0.000 1.097 171 F CA -1.435 56.560 58.000 -0.008 0.000 0.952 171 F CB 0.872 39.861 39.000 -0.018 0.000 1.307 171 F HN 0.340 nan 8.300 nan 0.000 0.450 172 D N 1.740 122.339 120.400 0.330 0.000 2.450 172 D HA 0.280 4.920 4.640 -0.001 0.000 0.247 172 D C 0.556 176.991 176.300 0.225 0.000 1.162 172 D CA 0.539 54.706 54.000 0.278 0.000 0.879 172 D CB 1.200 42.180 40.800 0.301 0.000 1.163 172 D HN 0.997 nan 8.370 nan 0.000 0.472 173 G N 1.599 110.477 108.800 0.130 0.000 2.305 173 G HA2 0.174 4.134 3.960 -0.001 0.000 0.243 173 G HA3 0.174 4.134 3.960 -0.001 0.000 0.243 173 G C 0.484 175.544 174.900 0.266 0.000 1.288 173 G CA -0.171 44.967 45.100 0.065 0.000 0.901 173 G HN 0.483 nan 8.290 nan 0.000 0.516 174 F N 0.337 120.404 119.950 0.194 0.000 2.568 174 F HA -0.346 4.180 4.527 -0.001 0.000 0.685 174 F C 2.391 178.481 175.800 0.484 0.000 0.487 174 F CA 2.347 60.507 58.000 0.266 0.000 0.705 174 F CB -1.125 38.037 39.000 0.270 0.000 1.601 174 F HN 0.530 nan 8.300 nan 0.000 0.264 175 R N 0.412 121.248 120.500 0.560 0.000 2.139 175 R HA -0.098 4.242 4.340 -0.001 0.000 0.243 175 R C 1.761 178.243 176.300 0.303 0.000 1.145 175 R CA 2.566 58.854 56.100 0.314 0.000 0.976 175 R CB -0.898 29.519 30.300 0.195 0.000 0.866 175 R HN 0.636 nan 8.270 nan 0.000 0.449 176 T N -1.917 112.856 114.554 0.366 0.000 3.019 176 T HA 0.036 4.386 4.350 -0.001 0.000 0.247 176 T C 1.521 176.463 174.700 0.403 0.000 0.992 176 T CA 0.530 62.838 62.100 0.347 0.000 1.036 176 T CB 0.094 69.182 68.868 0.367 0.000 1.063 176 T HN 0.396 nan 8.240 nan 0.000 0.476 177 S N 1.459 117.474 115.700 0.525 0.000 2.383 177 S HA -0.130 4.340 4.470 -0.001 0.000 0.227 177 S C 1.380 176.235 174.600 0.424 0.000 1.026 177 S CA 1.196 59.728 58.200 0.553 0.000 0.981 177 S CB -0.452 63.045 63.200 0.495 0.000 0.818 177 S HN 0.521 nan 8.310 nan 0.000 0.472 178 H N 0.982 120.207 119.070 0.258 0.000 2.542 178 H HA 0.487 5.043 4.556 -0.001 0.000 0.283 178 H C 0.015 175.551 175.328 0.348 0.000 1.059 178 H CA -0.374 55.839 56.048 0.275 0.000 1.162 178 H CB 0.071 30.039 29.762 0.343 0.000 1.539 178 H HN 0.676 nan 8.280 nan 0.000 0.543 179 E N 1.207 121.677 120.200 0.450 0.000 2.249 179 E HA 0.285 4.634 4.350 -0.001 0.000 0.280 179 E C -0.610 176.130 176.600 0.232 0.000 1.016 179 E CA -0.505 56.126 56.400 0.385 0.000 0.830 179 E CB 0.837 30.728 29.700 0.318 0.000 1.081 179 E HN 0.210 nan 8.360 nan 0.000 0.395 180 I N 3.735 124.419 120.570 0.191 0.000 2.385 180 I HA 0.252 4.421 4.170 -0.001 0.000 0.294 180 I C 0.123 176.292 176.117 0.087 0.000 0.988 180 I CA -0.575 60.807 61.300 0.137 0.000 1.265 180 I CB 1.367 39.463 38.000 0.160 0.000 1.388 180 I HN 0.485 nan 8.210 nan 0.000 0.480 181 Q N 4.514 124.360 119.800 0.077 0.000 2.418 181 Q HA 0.304 4.644 4.340 -0.001 0.000 0.282 181 Q C -1.147 174.895 176.000 0.071 0.000 1.044 181 Q CA -0.971 54.876 55.803 0.073 0.000 0.813 181 Q CB 3.200 31.984 28.738 0.077 0.000 1.428 181 Q HN 0.484 nan 8.270 nan 0.000 0.402 182 K N 2.986 123.440 120.400 0.089 0.000 2.276 182 K HA 0.467 4.786 4.320 -0.001 0.000 0.285 182 K C -0.282 176.351 176.600 0.056 0.000 1.062 182 K CA 0.044 56.363 56.287 0.052 0.000 0.918 182 K CB 0.131 32.645 32.500 0.023 0.000 1.055 182 K HN 0.619 nan 8.250 nan 0.000 0.477 183 I N -0.579 119.995 120.570 0.005 0.000 3.466 183 I HA 0.522 4.692 4.170 -0.001 0.000 0.311 183 I C -1.248 174.820 176.117 -0.081 0.000 1.155 183 I CA -1.092 60.198 61.300 -0.016 0.000 0.959 183 I CB 2.004 39.984 38.000 -0.033 0.000 1.332 183 I HN 0.578 nan 8.210 nan 0.000 0.483 184 E N 1.806 121.929 120.200 -0.128 0.000 2.187 184 E HA 0.630 4.980 4.350 -0.001 0.000 0.268 184 E C -1.557 174.823 176.600 -0.367 0.000 0.896 184 E CA -0.872 55.423 56.400 -0.175 0.000 0.766 184 E CB 2.393 32.028 29.700 -0.107 0.000 1.142 184 E HN 0.677 nan 8.360 nan 0.000 0.408 185 V N 2.070 121.782 119.914 -0.337 0.000 2.769 185 V HA 0.568 4.687 4.120 -0.001 0.000 0.312 185 V C -0.419 175.653 176.094 -0.036 0.000 1.061 185 V CA -1.011 61.033 62.300 -0.427 0.000 0.931 185 V CB 1.368 32.936 31.823 -0.424 0.000 1.010 185 V HN 0.685 nan 8.190 nan 0.000 0.433 186 L N 2.185 123.571 121.223 0.271 0.000 2.439 186 L HA 0.474 4.813 4.340 -0.001 0.000 0.261 186 L C 0.372 177.435 176.870 0.321 0.000 1.153 186 L CA -0.435 54.561 54.840 0.260 0.000 0.808 186 L CB 0.700 42.924 42.059 0.276 0.000 1.126 186 L HN 0.705 nan 8.230 nan 0.000 0.460 187 D N -0.155 120.360 120.400 0.192 0.000 2.357 187 D HA -0.010 4.630 4.640 -0.001 0.000 0.242 187 D C 0.674 177.131 176.300 0.262 0.000 1.153 187 D CA -0.101 53.995 54.000 0.161 0.000 0.918 187 D CB 0.808 41.649 40.800 0.068 0.000 1.181 187 D HN 0.321 nan 8.370 nan 0.000 0.435 188 Y N 0.790 121.062 120.300 -0.046 0.000 2.274 188 Y HA -0.118 4.431 4.550 -0.001 0.000 0.290 188 Y C 2.325 178.179 175.900 -0.076 0.000 1.145 188 Y CA 0.628 58.673 58.100 -0.091 0.000 1.203 188 Y CB -1.029 37.361 38.460 -0.116 0.000 0.984 188 Y HN 0.454 nan 8.280 nan 0.000 0.533 189 A N 0.059 122.946 122.820 0.112 0.000 1.933 189 A HA -0.181 4.139 4.320 -0.001 0.000 0.218 189 A C 2.025 179.623 177.584 0.024 0.000 1.175 189 A CA 1.947 54.008 52.037 0.040 0.000 0.628 189 A CB -0.582 18.435 19.000 0.029 0.000 0.814 189 A HN 0.350 nan 8.150 nan 0.000 0.444 190 D N -0.406 120.021 120.400 0.045 0.000 2.144 190 D HA -0.105 4.534 4.640 -0.001 0.000 0.200 190 D C 2.058 178.369 176.300 0.019 0.000 0.978 190 D CA 1.340 55.364 54.000 0.040 0.000 0.833 190 D CB -0.293 40.545 40.800 0.063 0.000 0.961 190 D HN 0.524 nan 8.370 nan 0.000 0.470 191 M N 0.843 120.443 119.600 -0.000 0.000 2.099 191 M HA -0.101 4.378 4.480 -0.001 0.000 0.262 191 M C 2.500 178.742 176.300 -0.097 0.000 1.067 191 M CA 1.309 56.569 55.300 -0.066 0.000 1.124 191 M CB -0.300 32.209 32.600 -0.152 0.000 1.353 191 M HN -0.065 nan 8.290 nan 0.000 0.410 192 A N 0.800 123.553 122.820 -0.111 0.000 1.917 192 A HA -0.205 4.115 4.320 -0.001 0.000 0.219 192 A C 2.304 179.845 177.584 -0.071 0.000 1.182 192 A CA 2.392 54.347 52.037 -0.137 0.000 0.633 192 A CB -1.092 17.825 19.000 -0.137 0.000 0.819 192 A HN 0.622 nan 8.150 nan 0.000 0.448 193 S N -0.984 114.699 115.700 -0.029 0.000 2.442 193 S HA -0.054 4.416 4.470 -0.001 0.000 0.236 193 S C 1.471 176.084 174.600 0.022 0.000 1.007 193 S CA 1.399 59.599 58.200 -0.000 0.000 0.965 193 S CB -0.328 62.879 63.200 0.012 0.000 0.773 193 S HN 0.218 nan 8.310 nan 0.000 0.504 194 L N 1.610 122.849 121.223 0.027 0.000 2.492 194 L HA 0.353 4.693 4.340 -0.001 0.000 0.223 194 L C 0.553 177.493 176.870 0.117 0.000 1.132 194 L CA 0.102 54.998 54.840 0.093 0.000 0.850 194 L CB -0.670 41.453 42.059 0.108 0.000 0.966 194 L HN 0.177 nan 8.230 nan 0.000 0.454 195 V N 1.406 121.329 119.914 0.016 0.000 2.599 195 V HA -0.036 4.084 4.120 -0.001 0.000 0.300 195 V C 0.829 176.963 176.094 0.067 0.000 1.034 195 V CA -0.303 61.996 62.300 -0.002 0.000 1.115 195 V CB 0.418 32.207 31.823 -0.058 0.000 0.934 195 V HN 0.347 nan 8.190 nan 0.000 0.485 196 N N 5.012 123.774 118.700 0.103 0.000 2.399 196 N HA 0.040 4.780 4.740 -0.001 0.000 0.259 196 N C 0.988 176.549 175.510 0.084 0.000 1.160 196 N CA -0.115 53.004 53.050 0.116 0.000 0.946 196 N CB 1.236 39.817 38.487 0.157 0.000 1.156 196 N HN 0.593 nan 8.380 nan 0.000 0.489 197 Q N 3.171 123.015 119.800 0.074 0.000 2.119 197 Q HA -0.166 4.174 4.340 -0.001 0.000 0.201 197 Q C 1.518 177.566 176.000 0.080 0.000 0.972 197 Q CA 1.211 57.060 55.803 0.078 0.000 0.847 197 Q CB -0.085 28.692 28.738 0.064 0.000 0.903 197 Q HN 0.687 nan 8.270 nan 0.000 0.433 198 K N 0.438 120.879 120.400 0.067 0.000 2.057 198 K HA -0.085 4.234 4.320 -0.001 0.000 0.207 198 K C 1.983 178.629 176.600 0.077 0.000 1.049 198 K CA 1.179 57.503 56.287 0.062 0.000 0.931 198 K CB -0.039 32.490 32.500 0.048 0.000 0.714 198 K HN 0.107 nan 8.250 nan 0.000 0.440 199 A N 1.382 124.253 122.820 0.085 0.000 1.898 199 A HA -0.132 4.187 4.320 -0.001 0.000 0.216 199 A C 2.052 179.716 177.584 0.133 0.000 1.181 199 A CA 1.278 53.373 52.037 0.097 0.000 0.620 199 A CB -0.617 18.433 19.000 0.082 0.000 0.819 199 A HN 0.402 nan 8.150 nan 0.000 0.442 200 L N -0.173 121.133 121.223 0.138 0.000 2.042 200 L HA -0.083 4.257 4.340 -0.001 0.000 0.210 200 L C 2.585 179.583 176.870 0.213 0.000 1.076 200 L CA 2.239 57.202 54.840 0.205 0.000 0.749 200 L CB -0.699 41.480 42.059 0.200 0.000 0.893 200 L HN 0.331 nan 8.230 nan 0.000 0.432 201 A N -1.116 121.786 122.820 0.137 0.000 1.968 201 A HA -0.172 4.148 4.320 -0.001 0.000 0.217 201 A C 2.183 179.814 177.584 0.078 0.000 1.169 201 A CA 1.503 53.594 52.037 0.091 0.000 0.638 201 A CB -0.532 18.505 19.000 0.062 0.000 0.812 201 A HN 0.587 nan 8.150 nan 0.000 0.446 202 E N -1.290 118.971 120.200 0.102 0.000 2.106 202 E HA -0.150 4.200 4.350 -0.001 0.000 0.192 202 E C 1.692 178.370 176.600 0.130 0.000 0.984 202 E CA 1.165 57.619 56.400 0.090 0.000 0.806 202 E CB -0.242 29.515 29.700 0.095 0.000 0.750 202 E HN 0.691 nan 8.360 nan 0.000 0.458 203 F N 1.901 121.863 119.950 0.019 0.000 2.075 203 F HA -0.171 4.355 4.527 -0.001 0.000 0.297 203 F C 2.184 177.998 175.800 0.023 0.000 1.113 203 F CA 1.432 59.443 58.000 0.017 0.000 1.218 203 F CB -0.164 38.848 39.000 0.020 0.000 0.984 203 F HN -0.206 nan 8.300 nan 0.000 0.472 204 R N 0.773 121.162 120.500 -0.185 0.000 2.083 204 R HA -0.102 4.237 4.340 -0.001 0.000 0.237 204 R C 2.475 178.687 176.300 -0.147 0.000 1.137 204 R CA 1.780 57.716 56.100 -0.274 0.000 0.951 204 R CB -1.420 28.819 30.300 -0.102 0.000 0.851 204 R HN 0.422 nan 8.270 nan 0.000 0.434 205 A N 1.034 123.809 122.820 -0.074 0.000 2.015 205 A HA -0.165 4.155 4.320 -0.001 0.000 0.219 205 A C 1.759 179.308 177.584 -0.059 0.000 1.163 205 A CA 1.712 53.698 52.037 -0.085 0.000 0.646 205 A CB -0.406 18.534 19.000 -0.101 0.000 0.806 205 A HN 0.465 nan 8.150 nan 0.000 0.448 206 K N -0.519 119.858 120.400 -0.039 0.000 2.426 206 K HA 0.196 4.516 4.320 -0.001 0.000 0.193 206 K C 0.310 176.913 176.600 0.005 0.000 1.028 206 K CA 0.412 56.676 56.287 -0.037 0.000 1.047 206 K CB 0.034 32.514 32.500 -0.034 0.000 0.821 206 K HN 0.214 nan 8.250 nan 0.000 0.513 207 S N 1.508 117.203 115.700 -0.007 0.000 2.600 207 S HA 0.159 4.629 4.470 -0.001 0.000 0.265 207 S C 0.262 174.953 174.600 0.152 0.000 1.325 207 S CA -0.600 57.607 58.200 0.011 0.000 1.002 207 S CB 0.438 63.501 63.200 -0.229 0.000 0.921 207 S HN 0.212 nan 8.310 nan 0.000 0.554 208 M N 3.068 122.730 119.600 0.103 0.000 2.260 208 M HA 0.082 4.562 4.480 -0.001 0.000 0.348 208 M C 0.282 176.511 176.300 -0.119 0.000 1.342 208 M CA 0.783 56.069 55.300 -0.024 0.000 1.040 208 M CB -0.231 32.307 32.600 -0.104 0.000 1.810 208 M HN 0.519 nan 8.290 nan 0.000 0.453 209 N N 4.635 123.202 118.700 -0.221 0.000 2.864 209 N HA 0.178 4.918 4.740 -0.001 0.000 0.247 209 N C -2.573 172.724 175.510 -0.355 0.000 1.071 209 N CA -0.906 51.940 53.050 -0.341 0.000 1.056 209 N CB 2.145 40.294 38.487 -0.564 0.000 1.661 209 N HN 0.225 nan 8.380 nan 0.000 0.570 210 P HA -0.030 nan 4.420 nan 0.000 0.234 210 P C 0.581 177.795 177.300 -0.143 0.000 1.167 210 P CA 0.947 63.952 63.100 -0.159 0.000 0.763 210 P CB 0.664 32.297 31.700 -0.112 0.000 0.835 211 E N -0.034 120.042 120.200 -0.208 0.000 2.299 211 E HA -0.085 4.265 4.350 -0.001 0.000 0.193 211 E C 0.733 177.333 176.600 0.000 0.000 0.998 211 E CA 0.566 56.912 56.400 -0.089 0.000 0.851 211 E CB -0.112 29.567 29.700 -0.036 0.000 0.795 211 E HN 0.507 nan 8.360 nan 0.000 0.492 212 H N -2.118 116.956 119.070 0.007 0.000 2.696 212 H HA 0.277 4.833 4.556 -0.001 0.000 0.221 212 H C -2.828 172.535 175.328 0.058 0.000 1.399 212 H CA -1.859 54.204 56.048 0.025 0.000 1.408 212 H CB -0.188 29.587 29.762 0.021 0.000 1.853 212 H HN -0.038 nan 8.280 nan 0.000 0.546 213 P HA 0.146 nan 4.420 nan 0.000 0.272 213 P C -0.120 177.254 177.300 0.124 0.000 1.240 213 P CA 0.417 63.519 63.100 0.004 0.000 0.791 213 P CB 1.616 33.283 31.700 -0.055 0.000 0.978 214 H N -2.084 116.988 119.070 0.003 0.000 2.960 214 H HA 0.517 5.072 4.556 -0.001 0.000 0.323 214 H C -1.652 173.680 175.328 0.007 0.000 1.326 214 H CA -1.068 54.990 56.048 0.016 0.000 1.124 214 H CB 0.665 30.446 29.762 0.033 0.000 1.853 214 H HN 0.105 nan 8.280 nan 0.000 0.536 215 V N 2.117 122.075 119.914 0.074 0.000 2.459 215 V HA 0.462 4.582 4.120 -0.001 0.000 0.295 215 V C 0.261 176.411 176.094 0.093 0.000 1.029 215 V CA -0.793 61.507 62.300 0.001 0.000 0.874 215 V CB 1.421 33.258 31.823 0.025 0.000 0.985 215 V HN 0.840 nan 8.190 nan 0.000 0.438 216 R N 2.848 123.368 120.500 0.033 0.000 2.750 216 R HA 0.756 5.096 4.340 -0.001 0.000 0.281 216 R C 0.238 176.581 176.300 0.071 0.000 0.972 216 R CA -0.148 56.014 56.100 0.104 0.000 0.912 216 R CB 1.967 32.356 30.300 0.148 0.000 1.187 216 R HN 1.163 nan 8.270 nan 0.000 0.464 217 G N 1.704 110.561 108.800 0.095 0.000 2.341 217 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.278 217 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.278 217 G C -0.009 174.931 174.900 0.066 0.000 1.111 217 G CA 0.238 45.391 45.100 0.088 0.000 0.982 217 G HN 1.069 nan 8.290 nan 0.000 0.502 218 T N -2.058 112.539 114.554 0.072 0.000 2.816 218 T HA 0.795 5.144 4.350 -0.001 0.000 0.282 218 T C 0.563 175.304 174.700 0.069 0.000 0.993 218 T CA 0.317 62.453 62.100 0.061 0.000 0.994 218 T CB 2.153 71.060 68.868 0.064 0.000 1.025 218 T HN 1.852 nan 8.240 nan 0.000 0.529 219 A N 1.296 124.149 122.820 0.055 0.000 2.288 219 A HA 0.589 4.909 4.320 -0.001 0.000 0.320 219 A C -0.132 177.491 177.584 0.066 0.000 1.217 219 A CA -0.850 51.217 52.037 0.050 0.000 0.840 219 A CB 0.608 19.622 19.000 0.023 0.000 1.179 219 A HN 0.838 nan 8.150 nan 0.000 0.504 220 Q N 1.736 121.594 119.800 0.096 0.000 2.345 220 Q HA 0.348 4.688 4.340 -0.001 0.000 0.268 220 Q C -0.650 175.400 176.000 0.084 0.000 1.054 220 Q CA -1.083 54.794 55.803 0.122 0.000 0.835 220 Q CB 1.868 30.740 28.738 0.223 0.000 1.339 220 Q HN 0.798 nan 8.270 nan 0.000 0.447 221 N N 1.122 119.868 118.700 0.077 0.000 2.448 221 N HA 0.211 4.951 4.740 -0.001 0.000 0.274 221 N C -1.868 173.692 175.510 0.083 0.000 1.239 221 N CA -1.600 51.479 53.050 0.049 0.000 0.982 221 N CB 0.098 38.608 38.487 0.037 0.000 1.199 221 N HN 0.274 nan 8.380 nan 0.000 0.576 222 P HA -0.104 nan 4.420 nan 0.000 0.220 222 P C 0.456 177.827 177.300 0.117 0.000 1.148 222 P CA 1.056 64.211 63.100 0.092 0.000 0.803 222 P CB 0.106 31.838 31.700 0.054 0.000 0.782 223 D N 0.219 120.670 120.400 0.086 0.000 2.182 223 D HA -0.177 4.462 4.640 -0.001 0.000 0.201 223 D C 1.601 177.952 176.300 0.085 0.000 0.986 223 D CA 1.386 55.430 54.000 0.073 0.000 0.847 223 D CB -0.982 39.849 40.800 0.051 0.000 0.942 223 D HN 0.372 nan 8.370 nan 0.000 0.467 224 I N -5.338 115.301 120.570 0.114 0.000 4.557 224 I HA 0.289 4.458 4.170 -0.001 0.000 0.333 224 I C 1.714 177.918 176.117 0.145 0.000 1.332 224 I CA -0.736 60.626 61.300 0.105 0.000 1.240 224 I CB -0.075 37.968 38.000 0.072 0.000 1.312 224 I HN -0.187 nan 8.210 nan 0.000 0.457 225 Y N 2.152 122.504 120.300 0.085 0.000 2.081 225 Y HA -0.278 4.271 4.550 -0.001 0.000 0.280 225 Y C 2.271 178.270 175.900 0.165 0.000 1.163 225 Y CA 2.632 60.788 58.100 0.092 0.000 1.135 225 Y CB -0.470 38.025 38.460 0.058 0.000 0.970 225 Y HN 0.287 nan 8.280 nan 0.000 0.498 226 F N 0.476 120.455 119.950 0.048 0.000 2.091 226 F HA -0.385 4.141 4.527 -0.001 0.000 0.299 226 F C 2.197 177.938 175.800 -0.097 0.000 1.103 226 F CA 1.550 59.532 58.000 -0.030 0.000 1.228 226 F CB -0.078 38.958 39.000 0.059 0.000 0.984 226 F HN 0.204 nan 8.300 nan 0.000 0.477 227 Q N 0.265 120.116 119.800 0.084 0.000 2.050 227 Q HA -0.130 4.210 4.340 -0.001 0.000 0.202 227 Q C 2.398 178.387 176.000 -0.017 0.000 0.980 227 Q CA 1.717 57.501 55.803 -0.033 0.000 0.840 227 Q CB -1.056 27.656 28.738 -0.044 0.000 0.898 227 Q HN 0.525 nan 8.270 nan 0.000 0.424 228 G N 0.280 109.053 108.800 -0.044 0.000 2.450 228 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.220 228 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.220 228 G C 1.539 176.367 174.900 -0.119 0.000 1.130 228 G CA 0.860 45.914 45.100 -0.076 0.000 0.760 228 G HN 0.163 nan 8.290 nan 0.000 0.557 229 R N 0.481 120.859 120.500 -0.202 0.000 2.148 229 R HA 0.050 4.389 4.340 -0.001 0.000 0.223 229 R C 2.076 178.358 176.300 -0.029 0.000 1.088 229 R CA 1.004 56.990 56.100 -0.191 0.000 0.985 229 R CB -0.074 30.037 30.300 -0.315 0.000 0.880 229 R HN 0.232 nan 8.270 nan 0.000 0.451 230 E N -0.418 119.808 120.200 0.043 0.000 2.478 230 E HA 0.073 4.423 4.350 -0.001 0.000 0.194 230 E C 1.382 178.016 176.600 0.057 0.000 1.045 230 E CA 0.678 57.118 56.400 0.066 0.000 0.868 230 E CB 0.428 30.178 29.700 0.082 0.000 0.885 230 E HN 0.396 nan 8.360 nan 0.000 0.505 231 A N 1.135 123.982 122.820 0.046 0.000 2.172 231 A HA 0.036 4.355 4.320 -0.001 0.000 0.216 231 A C 2.178 179.849 177.584 0.145 0.000 1.154 231 A CA 1.303 53.383 52.037 0.072 0.000 0.701 231 A CB -0.145 18.884 19.000 0.049 0.000 0.789 231 A HN 0.194 nan 8.150 nan 0.000 0.465 232 A N -0.260 122.657 122.820 0.162 0.000 2.218 232 A HA 0.042 4.362 4.320 -0.001 0.000 0.209 232 A C 1.590 179.420 177.584 0.410 0.000 1.168 232 A CA 0.688 52.902 52.037 0.296 0.000 0.804 232 A CB -0.415 18.738 19.000 0.254 0.000 0.834 232 A HN 0.470 nan 8.150 nan 0.000 0.482 233 N N 1.266 120.117 118.700 0.252 0.000 2.073 233 N HA -0.188 4.551 4.740 -0.001 0.000 0.199 233 N C -0.876 174.759 175.510 0.208 0.000 1.023 233 N CA 2.209 55.387 53.050 0.213 0.000 0.880 233 N CB -1.810 36.742 38.487 0.108 0.000 1.052 233 N HN 0.314 nan 8.380 nan 0.000 0.449 234 P HA -0.143 nan 4.420 nan 0.000 0.216 234 P C 1.168 178.421 177.300 -0.078 0.000 1.154 234 P CA 1.266 64.352 63.100 -0.023 0.000 0.865 234 P CB -0.186 31.433 31.700 -0.135 0.000 0.789 235 Y N -2.808 117.513 120.300 0.035 0.000 2.200 235 Y HA -0.184 4.365 4.550 -0.001 0.000 0.290 235 Y C 2.317 178.136 175.900 -0.135 0.000 1.137 235 Y CA 1.301 59.358 58.100 -0.071 0.000 1.163 235 Y CB -1.242 37.128 38.460 -0.151 0.000 0.988 235 Y HN -0.008 nan 8.280 nan 0.000 0.518 236 Y N -0.775 119.603 120.300 0.130 0.000 2.373 236 Y HA -0.133 4.416 4.550 -0.001 0.000 0.293 236 Y C 2.129 178.049 175.900 0.034 0.000 1.129 236 Y CA 0.790 58.923 58.100 0.055 0.000 1.226 236 Y CB -0.440 38.038 38.460 0.030 0.000 1.000 236 Y HN 0.088 nan 8.280 nan 0.000 0.549 237 L N -0.266 121.050 121.223 0.154 0.000 2.093 237 L HA -0.214 4.126 4.340 -0.001 0.000 0.208 237 L C 1.997 178.895 176.870 0.048 0.000 1.085 237 L CA 1.550 56.442 54.840 0.087 0.000 0.755 237 L CB -0.379 41.712 42.059 0.054 0.000 0.904 237 L HN 0.166 nan 8.230 nan 0.000 0.435 238 K N -0.533 119.875 120.400 0.015 0.000 2.305 238 K HA -0.071 4.249 4.320 -0.001 0.000 0.199 238 K C 1.998 178.615 176.600 0.029 0.000 1.047 238 K CA 0.744 57.031 56.287 0.001 0.000 0.976 238 K CB -0.057 32.415 32.500 -0.048 0.000 0.765 238 K HN 0.157 nan 8.250 nan 0.000 0.474 239 V N 2.099 122.030 119.914 0.029 0.000 2.324 239 V HA -0.168 3.952 4.120 -0.001 0.000 0.250 239 V C -1.156 175.002 176.094 0.107 0.000 1.060 239 V CA 1.688 64.028 62.300 0.066 0.000 1.042 239 V CB -0.764 31.054 31.823 -0.009 0.000 0.650 239 V HN 0.126 nan 8.190 nan 0.000 0.450 240 P HA -0.065 nan 4.420 nan 0.000 0.215 240 P C 1.818 179.168 177.300 0.084 0.000 1.157 240 P CA 2.147 65.299 63.100 0.087 0.000 0.868 240 P CB -0.654 31.091 31.700 0.076 0.000 0.788 241 G N -0.704 108.133 108.800 0.062 0.000 2.432 241 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.219 241 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.219 241 G C 1.522 176.445 174.900 0.039 0.000 1.135 241 G CA 0.412 45.538 45.100 0.043 0.000 0.767 241 G HN 0.235 nan 8.290 nan 0.000 0.550 242 I N 0.229 120.839 120.570 0.067 0.000 2.252 242 I HA -0.120 4.049 4.170 -0.001 0.000 0.245 242 I C 2.706 178.922 176.117 0.164 0.000 1.102 242 I CA 0.361 61.717 61.300 0.094 0.000 1.385 242 I CB -0.087 38.002 38.000 0.149 0.000 1.064 242 I HN 0.021 nan 8.210 nan 0.000 0.414 243 V N 1.012 121.031 119.914 0.174 0.000 2.343 243 V HA -0.284 3.835 4.120 -0.001 0.000 0.247 243 V C 2.703 178.874 176.094 0.128 0.000 1.051 243 V CA 1.993 64.397 62.300 0.173 0.000 1.036 243 V CB -0.949 30.991 31.823 0.195 0.000 0.654 243 V HN 0.482 nan 8.190 nan 0.000 0.451 244 A N -0.354 122.523 122.820 0.094 0.000 1.902 244 A HA -0.278 4.042 4.320 -0.001 0.000 0.217 244 A C 2.311 179.921 177.584 0.043 0.000 1.181 244 A CA 1.977 54.060 52.037 0.075 0.000 0.623 244 A CB -0.559 18.479 19.000 0.064 0.000 0.818 244 A HN 0.629 nan 8.150 nan 0.000 0.443 245 E N -1.194 118.998 120.200 -0.014 0.000 2.058 245 E HA -0.251 4.099 4.350 -0.001 0.000 0.194 245 E C 1.770 178.273 176.600 -0.161 0.000 0.997 245 E CA 1.680 58.005 56.400 -0.126 0.000 0.801 245 E CB -0.307 29.247 29.700 -0.243 0.000 0.746 245 E HN 0.773 nan 8.360 nan 0.000 0.450 246 Y N -0.164 120.138 120.300 0.002 0.000 2.373 246 Y HA -0.053 4.497 4.550 -0.001 0.000 0.293 246 Y C 2.454 178.364 175.900 0.016 0.000 1.129 246 Y CA 0.805 58.899 58.100 -0.010 0.000 1.226 246 Y CB 0.058 38.485 38.460 -0.055 0.000 1.000 246 Y HN 0.080 nan 8.280 nan 0.000 0.549 247 M N -0.641 119.059 119.600 0.166 0.000 2.175 247 M HA -0.259 4.221 4.480 -0.001 0.000 0.264 247 M C 1.988 178.384 176.300 0.159 0.000 1.063 247 M CA 1.726 57.133 55.300 0.179 0.000 1.119 247 M CB -0.191 32.520 32.600 0.186 0.000 1.377 247 M HN 0.281 nan 8.290 nan 0.000 0.415 248 Q N 0.093 119.949 119.800 0.093 0.000 2.049 248 Q HA -0.125 4.214 4.340 -0.001 0.000 0.198 248 Q C 1.989 178.018 176.000 0.048 0.000 0.971 248 Q CA 1.306 57.142 55.803 0.056 0.000 0.833 248 Q CB 0.044 28.792 28.738 0.017 0.000 0.896 248 Q HN 0.424 nan 8.270 nan 0.000 0.434 249 K N -0.046 120.374 120.400 0.033 0.000 2.032 249 K HA -0.139 4.180 4.320 -0.001 0.000 0.209 249 K C 2.060 178.712 176.600 0.087 0.000 1.048 249 K CA 1.480 57.793 56.287 0.042 0.000 0.927 249 K CB -0.229 32.290 32.500 0.033 0.000 0.712 249 K HN 0.031 nan 8.250 nan 0.000 0.441 250 V N 1.457 121.448 119.914 0.128 0.000 2.469 250 V HA -0.261 3.858 4.120 -0.001 0.000 0.251 250 V C 2.321 178.488 176.094 0.122 0.000 1.064 250 V CA 1.987 64.367 62.300 0.134 0.000 1.066 250 V CB -0.676 31.241 31.823 0.155 0.000 0.667 250 V HN 0.378 nan 8.190 nan 0.000 0.461 251 A N 0.669 123.557 122.820 0.113 0.000 1.969 251 A HA -0.176 4.144 4.320 -0.001 0.000 0.218 251 A C 2.493 180.106 177.584 0.048 0.000 1.169 251 A CA 1.921 54.003 52.037 0.075 0.000 0.635 251 A CB -0.643 18.387 19.000 0.050 0.000 0.810 251 A HN 0.693 nan 8.150 nan 0.000 0.445 252 S N -0.466 115.261 115.700 0.046 0.000 2.474 252 S HA 0.027 4.496 4.470 -0.001 0.000 0.235 252 S C 1.601 176.222 174.600 0.036 0.000 0.997 252 S CA 1.264 59.483 58.200 0.032 0.000 0.949 252 S CB -0.410 62.805 63.200 0.026 0.000 0.766 252 S HN 0.464 nan 8.310 nan 0.000 0.517 253 L N 1.097 122.350 121.223 0.051 0.000 2.408 253 L HA 0.132 4.471 4.340 -0.001 0.000 0.215 253 L C 2.713 179.613 176.870 0.051 0.000 1.081 253 L CA 1.233 56.104 54.840 0.051 0.000 0.840 253 L CB -0.316 41.783 42.059 0.065 0.000 1.002 253 L HN 0.580 nan 8.230 nan 0.000 0.468 254 T N -5.242 109.348 114.554 0.059 0.000 2.969 254 T HA 0.250 4.599 4.350 -0.001 0.000 0.250 254 T C 1.478 176.196 174.700 0.029 0.000 1.021 254 T CA 0.644 62.774 62.100 0.050 0.000 1.003 254 T CB 0.958 69.874 68.868 0.081 0.000 1.040 254 T HN 0.308 nan 8.240 nan 0.000 0.492 255 G N 1.949 110.762 108.800 0.022 0.000 2.176 255 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.253 255 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.253 255 G C 0.098 174.979 174.900 -0.031 0.000 0.979 255 G CA -0.146 44.954 45.100 0.001 0.000 0.641 255 G HN 0.675 nan 8.290 nan 0.000 0.530 256 R N 1.044 121.519 120.500 -0.040 0.000 2.246 256 R HA 0.546 4.885 4.340 -0.001 0.000 0.332 256 R C -0.312 175.805 176.300 -0.305 0.000 0.974 256 R CA -0.224 55.779 56.100 -0.162 0.000 0.837 256 R CB 1.335 31.580 30.300 -0.092 0.000 1.145 256 R HN 0.184 nan 8.270 nan 0.000 0.467 257 S N 2.355 117.839 115.700 -0.359 0.000 2.585 257 S HA 0.505 4.974 4.470 -0.001 0.000 0.277 257 S C -0.865 173.407 174.600 -0.548 0.000 1.241 257 S CA -0.345 57.680 58.200 -0.292 0.000 1.041 257 S CB 0.652 63.781 63.200 -0.120 0.000 0.987 257 S HN 0.359 nan 8.310 nan 0.000 0.512 258 Y N 0.180 120.510 120.300 0.049 0.000 2.588 258 Y HA 0.538 5.088 4.550 -0.001 0.000 0.343 258 Y C 0.148 176.080 175.900 0.054 0.000 1.065 258 Y CA -1.068 57.062 58.100 0.051 0.000 1.038 258 Y CB 1.695 40.182 38.460 0.045 0.000 1.297 258 Y HN 0.398 nan 8.280 nan 0.000 0.467 259 K N 1.045 121.587 120.400 0.237 0.000 2.433 259 K HA 0.476 4.796 4.320 -0.001 0.000 0.252 259 K C 0.321 176.996 176.600 0.125 0.000 1.015 259 K CA -0.853 55.533 56.287 0.166 0.000 0.860 259 K CB 2.238 34.833 32.500 0.160 0.000 1.359 259 K HN 0.565 nan 8.250 nan 0.000 0.452 260 L N 0.360 121.637 121.223 0.089 0.000 2.127 260 L HA -0.060 4.280 4.340 -0.001 0.000 0.211 260 L C 0.186 176.868 176.870 -0.314 0.000 1.089 260 L CA 1.591 56.386 54.840 -0.075 0.000 0.757 260 L CB -0.256 41.803 42.059 0.001 0.000 0.899 260 L HN 0.376 nan 8.230 nan 0.000 0.434 261 F N -1.021 118.981 119.950 0.087 0.000 2.557 261 F HA 0.394 4.920 4.527 -0.001 0.000 0.316 261 F C -0.339 175.537 175.800 0.127 0.000 1.141 261 F CA -1.037 57.032 58.000 0.115 0.000 0.922 261 F CB 1.652 40.714 39.000 0.104 0.000 1.194 261 F HN -0.220 nan 8.300 nan 0.000 0.443 262 D N 1.848 122.430 120.400 0.303 0.000 2.350 262 D HA 0.213 4.852 4.640 -0.001 0.000 0.245 262 D C -1.537 174.914 176.300 0.251 0.000 1.036 262 D CA -0.333 53.811 54.000 0.240 0.000 0.848 262 D CB 2.688 43.598 40.800 0.183 0.000 1.307 262 D HN 0.496 nan 8.370 nan 0.000 0.469 263 Y N 1.692 122.061 120.300 0.114 0.000 2.377 263 Y HA 0.461 5.010 4.550 -0.001 0.000 0.339 263 Y C -0.750 175.201 175.900 0.085 0.000 1.011 263 Y CA -0.599 57.560 58.100 0.097 0.000 1.093 263 Y CB 1.166 39.664 38.460 0.063 0.000 1.201 263 Y HN 0.158 nan 8.280 nan 0.000 0.455 264 V N 2.807 122.205 119.914 -0.860 0.000 2.876 264 V HA 1.062 5.181 4.120 -0.001 0.000 0.312 264 V C -0.099 175.540 176.094 -0.759 0.000 1.085 264 V CA -0.229 61.753 62.300 -0.531 0.000 0.945 264 V CB 1.014 32.708 31.823 -0.215 0.000 1.017 264 V HN 1.421 nan 8.190 nan 0.000 0.428 265 G N 1.396 110.019 108.800 -0.295 0.000 2.373 265 G HA2 0.496 4.455 3.960 -0.001 0.000 0.634 265 G HA3 0.496 4.455 3.960 -0.001 0.000 0.634 265 G C -0.083 174.898 174.900 0.134 0.000 1.267 265 G CA -0.101 44.939 45.100 -0.100 0.000 1.008 265 G HN 2.242 nan 8.290 nan 0.000 0.497 266 A N 0.348 123.257 122.820 0.149 0.000 2.546 266 A HA 0.579 4.899 4.320 -0.001 0.000 0.243 266 A C -0.584 177.144 177.584 0.240 0.000 1.063 266 A CA 0.473 52.601 52.037 0.153 0.000 0.757 266 A CB 0.111 19.166 19.000 0.091 0.000 0.991 266 A HN 0.477 nan 8.150 nan 0.000 0.503 267 P HA -0.064 nan 4.420 nan 0.000 0.226 267 P C 0.266 177.576 177.300 0.017 0.000 1.153 267 P CA 1.313 64.466 63.100 0.088 0.000 0.777 267 P CB 0.187 31.924 31.700 0.062 0.000 0.794 268 D N -1.483 118.944 120.400 0.045 0.000 2.525 268 D HA 0.194 4.834 4.640 -0.001 0.000 0.229 268 D C 0.230 176.559 176.300 0.048 0.000 1.202 268 D CA -0.629 53.388 54.000 0.028 0.000 0.828 268 D CB -0.542 40.273 40.800 0.025 0.000 1.008 268 D HN -0.064 nan 8.370 nan 0.000 0.493 269 A N 0.753 123.623 122.820 0.083 0.000 2.531 269 A HA 0.119 4.439 4.320 -0.001 0.000 0.236 269 A C 0.938 178.576 177.584 0.091 0.000 1.062 269 A CA -0.019 52.085 52.037 0.111 0.000 0.760 269 A CB 0.378 19.506 19.000 0.214 0.000 0.995 269 A HN 0.272 nan 8.150 nan 0.000 0.501 270 E N 0.960 121.214 120.200 0.089 0.000 2.413 270 E HA 0.056 4.406 4.350 -0.001 0.000 0.203 270 E C -0.077 176.589 176.600 0.111 0.000 0.957 270 E CA 0.248 56.697 56.400 0.082 0.000 0.950 270 E CB 0.392 30.128 29.700 0.060 0.000 0.957 270 E HN 0.654 nan 8.360 nan 0.000 0.497 271 R N 1.439 122.030 120.500 0.152 0.000 2.388 271 R HA 0.467 4.807 4.340 -0.001 0.000 0.314 271 R C -1.195 175.293 176.300 0.314 0.000 0.959 271 R CA -0.355 55.871 56.100 0.211 0.000 0.851 271 R CB 2.345 32.787 30.300 0.237 0.000 1.168 271 R HN -0.139 nan 8.270 nan 0.000 0.472 272 V N 4.842 124.924 119.914 0.281 0.000 2.769 272 V HA 0.540 4.659 4.120 -0.001 0.000 0.312 272 V C -0.073 176.173 176.094 0.254 0.000 1.061 272 V CA -0.812 61.686 62.300 0.331 0.000 0.931 272 V CB 2.501 34.516 31.823 0.319 0.000 1.010 272 V HN 0.614 nan 8.190 nan 0.000 0.433 273 I N 2.927 123.644 120.570 0.245 0.000 2.441 273 I HA 0.525 4.695 4.170 -0.001 0.000 0.295 273 I C -0.883 175.375 176.117 0.234 0.000 0.994 273 I CA -0.871 60.517 61.300 0.147 0.000 1.144 273 I CB 2.182 40.183 38.000 0.002 0.000 1.314 273 I HN 0.240 nan 8.210 nan 0.000 0.445 274 V N 4.863 124.929 119.914 0.252 0.000 2.378 274 V HA 0.499 4.618 4.120 -0.001 0.000 0.288 274 V C -0.158 176.091 176.094 0.258 0.000 1.016 274 V CA -0.155 62.346 62.300 0.336 0.000 0.840 274 V CB 1.431 33.517 31.823 0.437 0.000 0.994 274 V HN 0.806 nan 8.190 nan 0.000 0.431 275 S N 4.551 120.401 115.700 0.251 0.000 2.685 275 S HA 0.884 5.353 4.470 -0.001 0.000 0.282 275 S C -1.123 173.628 174.600 0.253 0.000 1.159 275 S CA -0.667 57.653 58.200 0.201 0.000 0.833 275 S CB 1.960 65.202 63.200 0.069 0.000 1.151 275 S HN 0.722 nan 8.310 nan 0.000 0.485 276 M N 1.612 121.378 119.600 0.278 0.000 2.371 276 M HA 0.598 5.078 4.480 -0.001 0.000 0.287 276 M C -0.390 176.129 176.300 0.364 0.000 1.149 276 M CA 0.626 56.098 55.300 0.285 0.000 0.929 276 M CB 1.491 34.265 32.600 0.290 0.000 1.683 276 M HN 1.165 nan 8.290 nan 0.000 0.470 277 G N 1.657 110.603 108.800 0.245 0.000 2.660 277 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.247 277 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.247 277 G C 0.265 175.312 174.900 0.244 0.000 1.328 277 G CA 0.097 45.367 45.100 0.283 0.000 0.884 277 G HN 1.419 nan 8.290 nan 0.000 0.531 278 S N -0.649 115.203 115.700 0.253 0.000 2.461 278 S HA -0.172 4.297 4.470 -0.001 0.000 0.246 278 S C 2.603 177.344 174.600 0.235 0.000 1.007 278 S CA 2.672 61.005 58.200 0.222 0.000 0.976 278 S CB -0.697 62.636 63.200 0.220 0.000 0.763 278 S HN 2.329 nan 8.310 nan 0.000 0.508 279 S N 0.867 116.721 115.700 0.258 0.000 2.399 279 S HA -0.129 4.341 4.470 -0.001 0.000 0.231 279 S C 1.969 176.711 174.600 0.237 0.000 1.022 279 S CA 0.943 59.301 58.200 0.263 0.000 0.983 279 S CB -1.499 61.673 63.200 -0.047 0.000 0.803 279 S HN 0.690 nan 8.310 nan 0.000 0.480 280 C N 2.027 121.439 119.300 0.188 0.000 2.411 280 C HA -0.016 4.444 4.460 -0.001 0.000 0.279 280 C C 2.972 178.057 174.990 0.157 0.000 1.288 280 C CA 0.769 59.887 59.018 0.166 0.000 1.764 280 C CB -1.220 26.613 27.740 0.155 0.000 1.974 280 C HN 0.590 nan 8.230 nan 0.000 0.498 281 E N 0.396 120.691 120.200 0.159 0.000 2.047 281 E HA -0.134 4.215 4.350 -0.001 0.000 0.191 281 E C 2.247 178.936 176.600 0.149 0.000 0.987 281 E CA 1.590 58.069 56.400 0.133 0.000 0.799 281 E CB -0.706 29.064 29.700 0.117 0.000 0.752 281 E HN 0.596 nan 8.360 nan 0.000 0.449 282 T N 1.684 116.358 114.554 0.201 0.000 2.821 282 T HA -0.030 4.320 4.350 -0.001 0.000 0.267 282 T C 2.121 176.907 174.700 0.143 0.000 1.046 282 T CA 0.636 62.866 62.100 0.217 0.000 1.139 282 T CB -0.125 68.892 68.868 0.249 0.000 0.871 282 T HN 0.091 nan 8.240 nan 0.000 0.454 283 I N 0.954 121.627 120.570 0.172 0.000 2.179 283 I HA -0.164 4.005 4.170 -0.001 0.000 0.242 283 I C 2.728 178.938 176.117 0.156 0.000 1.088 283 I CA 1.397 62.802 61.300 0.174 0.000 1.357 283 I CB -0.344 37.781 38.000 0.208 0.000 1.051 283 I HN 0.316 nan 8.210 nan 0.000 0.409 284 E N 1.087 121.361 120.200 0.124 0.000 2.110 284 E HA -0.303 4.047 4.350 -0.001 0.000 0.193 284 E C 2.130 178.777 176.600 0.078 0.000 0.988 284 E CA 1.407 57.855 56.400 0.081 0.000 0.804 284 E CB -0.028 29.706 29.700 0.056 0.000 0.745 284 E HN 0.443 nan 8.360 nan 0.000 0.458 285 E N -0.130 120.127 120.200 0.095 0.000 2.110 285 E HA -0.169 4.180 4.350 -0.001 0.000 0.193 285 E C 2.006 178.674 176.600 0.113 0.000 0.988 285 E CA 1.278 57.736 56.400 0.096 0.000 0.804 285 E CB 0.184 29.960 29.700 0.125 0.000 0.745 285 E HN 0.191 nan 8.360 nan 0.000 0.458 286 V N 1.201 121.187 119.914 0.120 0.000 2.453 286 V HA -0.216 3.903 4.120 -0.001 0.000 0.247 286 V C 2.339 178.513 176.094 0.134 0.000 1.048 286 V CA 1.254 63.643 62.300 0.148 0.000 1.049 286 V CB -0.316 31.588 31.823 0.134 0.000 0.672 286 V HN 0.328 nan 8.190 nan 0.000 0.457 287 I N 0.562 121.179 120.570 0.078 0.000 2.226 287 I HA -0.229 3.941 4.170 -0.001 0.000 0.245 287 I C 2.400 178.526 176.117 0.016 0.000 1.100 287 I CA 1.377 62.672 61.300 -0.008 0.000 1.374 287 I CB -0.496 37.500 38.000 -0.008 0.000 1.057 287 I HN 0.370 nan 8.210 nan 0.000 0.413 288 N N 0.049 118.778 118.700 0.048 0.000 2.069 288 N HA -0.254 4.485 4.740 -0.001 0.000 0.191 288 N C 1.845 177.392 175.510 0.062 0.000 1.031 288 N CA 1.393 54.468 53.050 0.043 0.000 0.852 288 N CB -0.756 37.760 38.487 0.047 0.000 1.018 288 N HN 0.476 nan 8.380 nan 0.000 0.423 289 H N 1.055 120.130 119.070 0.008 0.000 2.293 289 H HA 0.017 4.572 4.556 -0.001 0.000 0.300 289 H C 2.082 177.414 175.328 0.006 0.000 1.082 289 H CA 1.185 57.237 56.048 0.007 0.000 1.308 289 H CB -0.180 29.594 29.762 0.019 0.000 1.375 289 H HN 0.119 nan 8.280 nan 0.000 0.495 290 L N 0.221 121.523 121.223 0.131 0.000 2.109 290 L HA -0.075 4.265 4.340 -0.001 0.000 0.207 290 L C 3.114 179.952 176.870 -0.053 0.000 1.086 290 L CA 0.836 55.699 54.840 0.037 0.000 0.760 290 L CB -0.527 41.556 42.059 0.040 0.000 0.910 290 L HN 0.281 nan 8.230 nan 0.000 0.437 291 A N 0.168 122.956 122.820 -0.054 0.000 1.972 291 A HA -0.120 4.200 4.320 -0.001 0.000 0.219 291 A C 2.435 179.989 177.584 -0.050 0.000 1.169 291 A CA 1.478 53.484 52.037 -0.051 0.000 0.635 291 A CB -0.555 18.424 19.000 -0.035 0.000 0.810 291 A HN 0.384 nan 8.150 nan 0.000 0.446 292 A N -0.545 122.236 122.820 -0.066 0.000 2.172 292 A HA -0.051 4.268 4.320 -0.001 0.000 0.216 292 A C 1.761 179.291 177.584 -0.089 0.000 1.154 292 A CA 1.342 53.334 52.037 -0.075 0.000 0.701 292 A CB -0.275 18.669 19.000 -0.093 0.000 0.789 292 A HN 0.517 nan 8.150 nan 0.000 0.465 293 K N -1.531 118.810 120.400 -0.099 0.000 2.397 293 K HA 0.298 4.617 4.320 -0.001 0.000 0.202 293 K C 0.960 177.532 176.600 -0.047 0.000 1.022 293 K CA 0.418 56.655 56.287 -0.082 0.000 1.141 293 K CB 0.308 32.751 32.500 -0.096 0.000 0.857 293 K HN 0.545 nan 8.250 nan 0.000 0.514 294 G N 1.583 110.358 108.800 -0.040 0.000 2.194 294 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.236 294 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.236 294 G C -0.222 174.664 174.900 -0.024 0.000 0.987 294 G CA -0.327 44.758 45.100 -0.025 0.000 0.635 294 G HN 0.343 nan 8.290 nan 0.000 0.520 295 E N 1.156 121.333 120.200 -0.037 0.000 2.376 295 E HA 0.186 4.535 4.350 -0.001 0.000 0.266 295 E C 0.088 176.659 176.600 -0.048 0.000 1.009 295 E CA 0.063 56.434 56.400 -0.048 0.000 0.902 295 E CB 0.436 30.087 29.700 -0.081 0.000 0.972 295 E HN 0.104 nan 8.360 nan 0.000 0.439 296 K N 4.238 124.624 120.400 -0.024 0.000 2.518 296 K HA 0.241 4.560 4.320 -0.001 0.000 0.244 296 K C 0.251 176.858 176.600 0.013 0.000 1.232 296 K CA -0.012 56.279 56.287 0.007 0.000 1.189 296 K CB -0.855 31.661 32.500 0.028 0.000 1.737 296 K HN 0.457 nan 8.250 nan 0.000 0.333 297 I N -3.208 117.334 120.570 -0.046 0.000 2.846 297 I HA 0.857 5.027 4.170 -0.001 0.000 0.307 297 I C -0.034 176.114 176.117 0.051 0.000 1.053 297 I CA -1.070 60.190 61.300 -0.066 0.000 1.050 297 I CB 2.520 40.172 38.000 -0.581 0.000 1.239 297 I HN 0.186 nan 8.210 nan 0.000 0.439 298 G N 2.983 111.915 108.800 0.220 0.000 2.649 298 G HA2 0.640 4.599 3.960 -0.001 0.000 0.290 298 G HA3 0.640 4.599 3.960 -0.001 0.000 0.290 298 G C -2.242 172.803 174.900 0.241 0.000 1.426 298 G CA -0.735 44.481 45.100 0.192 0.000 0.794 298 G HN 0.762 nan 8.290 nan 0.000 0.483 299 L N -0.286 120.911 121.223 -0.043 0.000 2.464 299 L HA 0.759 5.099 4.340 -0.001 0.000 0.266 299 L C -1.313 175.599 176.870 0.070 0.000 0.965 299 L CA -0.698 54.192 54.840 0.085 0.000 0.833 299 L CB 1.854 43.963 42.059 0.083 0.000 1.296 299 L HN 0.478 nan 8.230 nan 0.000 0.405 300 I N 4.761 125.495 120.570 0.273 0.000 2.328 300 I HA 0.341 4.511 4.170 -0.001 0.000 0.287 300 I C -0.244 176.072 176.117 0.332 0.000 1.012 300 I CA -0.622 60.886 61.300 0.347 0.000 1.195 300 I CB 1.073 39.317 38.000 0.407 0.000 1.350 300 I HN 0.567 nan 8.210 nan 0.000 0.464 301 K N 5.633 126.197 120.400 0.273 0.000 2.312 301 K HA 0.364 4.684 4.320 -0.001 0.000 0.287 301 K C -0.655 176.097 176.600 0.252 0.000 1.062 301 K CA -0.502 55.927 56.287 0.237 0.000 0.934 301 K CB 1.547 34.153 32.500 0.175 0.000 1.027 301 K HN 0.312 nan 8.250 nan 0.000 0.478 302 V N 4.947 125.002 119.914 0.235 0.000 2.408 302 V HA 0.098 4.218 4.120 -0.001 0.000 0.267 302 V C 0.906 176.974 176.094 -0.044 0.000 1.047 302 V CA -0.172 62.182 62.300 0.090 0.000 0.937 302 V CB 0.977 32.962 31.823 0.269 0.000 0.999 302 V HN 0.705 nan 8.190 nan 0.000 0.472 303 R N 3.382 123.758 120.500 -0.207 0.000 2.038 303 R HA 0.310 4.649 4.340 -0.001 0.000 0.214 303 R C 0.336 176.553 176.300 -0.139 0.000 1.249 303 R CA 0.130 56.144 56.100 -0.144 0.000 1.025 303 R CB -0.273 29.965 30.300 -0.104 0.000 0.911 303 R HN 0.544 nan 8.270 nan 0.000 0.456 304 L N 1.685 122.771 121.223 -0.228 0.000 2.312 304 L HA 0.166 4.505 4.340 -0.001 0.000 0.287 304 L C 0.131 176.944 176.870 -0.096 0.000 1.091 304 L CA 0.003 54.779 54.840 -0.107 0.000 0.846 304 L CB 0.634 42.638 42.059 -0.092 0.000 1.219 304 L HN 0.267 nan 8.230 nan 0.000 0.439 305 Y N 4.851 125.162 120.300 0.018 0.000 2.420 305 Y HA 0.311 4.860 4.550 -0.001 0.000 0.292 305 Y C 0.336 176.380 175.900 0.240 0.000 1.119 305 Y CA 0.439 58.649 58.100 0.183 0.000 1.229 305 Y CB 0.295 38.924 38.460 0.280 0.000 1.026 305 Y HN 0.426 nan 8.280 nan 0.000 0.554 306 R N 0.573 121.072 120.500 -0.000 0.000 2.510 306 R HA 0.330 4.670 4.340 -0.001 0.000 0.287 306 R C -3.101 173.171 176.300 -0.046 0.000 1.084 306 R CA -2.326 53.733 56.100 -0.069 0.000 0.934 306 R CB 1.468 31.730 30.300 -0.063 0.000 1.201 306 R HN -0.015 nan 8.270 nan 0.000 0.431 307 P HA 0.137 nan 4.420 nan 0.000 0.271 307 P C -0.563 176.778 177.300 0.067 0.000 1.218 307 P CA -0.263 62.865 63.100 0.047 0.000 0.780 307 P CB 0.390 32.149 31.700 0.100 0.000 0.901 308 F N 3.553 123.468 119.950 -0.057 0.000 2.404 308 F HA 0.223 4.750 4.527 -0.001 0.000 0.359 308 F C -0.300 175.558 175.800 0.096 0.000 1.134 308 F CA -0.167 57.845 58.000 0.019 0.000 1.160 308 F CB 0.304 39.252 39.000 -0.086 0.000 1.186 308 F HN -0.052 nan 8.300 nan 0.000 0.526 309 V N 7.105 127.002 119.914 -0.029 0.000 2.320 309 V HA 0.042 4.162 4.120 -0.001 0.000 0.265 309 V C 0.972 177.029 176.094 -0.061 0.000 1.048 309 V CA 0.327 62.657 62.300 0.049 0.000 0.865 309 V CB 0.489 32.374 31.823 0.104 0.000 1.043 309 V HN 0.944 nan 8.190 nan 0.000 0.474 310 S N 2.684 118.403 115.700 0.031 0.000 2.400 310 S HA -0.266 4.204 4.470 -0.001 0.000 0.232 310 S C 1.655 176.276 174.600 0.035 0.000 1.025 310 S CA 1.698 59.901 58.200 0.005 0.000 0.993 310 S CB -0.208 63.097 63.200 0.176 0.000 0.808 310 S HN 0.827 nan 8.310 nan 0.000 0.478 311 E N 1.681 121.942 120.200 0.102 0.000 2.110 311 E HA -0.081 4.269 4.350 -0.001 0.000 0.193 311 E C 2.054 178.689 176.600 0.058 0.000 0.988 311 E CA 0.984 57.462 56.400 0.131 0.000 0.804 311 E CB -0.498 29.261 29.700 0.099 0.000 0.745 311 E HN 0.701 nan 8.360 nan 0.000 0.458 312 A N 0.231 123.068 122.820 0.028 0.000 2.016 312 A HA -0.072 4.247 4.320 -0.001 0.000 0.217 312 A C 1.860 179.345 177.584 -0.165 0.000 1.162 312 A CA 0.690 52.773 52.037 0.076 0.000 0.662 312 A CB -0.642 18.538 19.000 0.300 0.000 0.812 312 A HN 0.498 nan 8.150 nan 0.000 0.450 313 F N -0.126 119.334 119.950 -0.817 0.000 2.084 313 F HA -0.091 4.435 4.527 -0.001 0.000 0.296 313 F C 1.824 177.220 175.800 -0.672 0.000 1.111 313 F CA 1.408 58.608 58.000 -1.334 0.000 1.224 313 F CB -0.569 37.522 39.000 -1.515 0.000 0.991 313 F HN 0.227 nan 8.300 nan 0.000 0.471 314 F N 0.400 120.095 119.950 -0.425 0.000 2.216 314 F HA -0.104 4.423 4.527 -0.001 0.000 0.300 314 F C 2.555 178.177 175.800 -0.296 0.000 1.085 314 F CA 0.851 58.609 58.000 -0.403 0.000 1.326 314 F CB -0.879 37.988 39.000 -0.222 0.000 1.027 314 F HN 0.089 nan 8.300 nan 0.000 0.497 315 A N -0.149 122.643 122.820 -0.046 0.000 2.070 315 A HA -0.038 4.281 4.320 -0.001 0.000 0.220 315 A C 2.120 179.666 177.584 -0.063 0.000 1.159 315 A CA 1.581 53.604 52.037 -0.024 0.000 0.656 315 A CB -0.870 18.142 19.000 0.021 0.000 0.800 315 A HN 0.291 nan 8.150 nan 0.000 0.453 316 A N -1.467 121.269 122.820 -0.139 0.000 2.308 316 A HA 0.501 4.821 4.320 -0.001 0.000 0.217 316 A C 0.596 178.033 177.584 -0.245 0.000 1.216 316 A CA -0.159 51.825 52.037 -0.089 0.000 0.864 316 A CB -0.009 19.020 19.000 0.048 0.000 0.902 316 A HN 0.399 nan 8.150 nan 0.000 0.499 317 L N 1.662 122.685 121.223 -0.333 0.000 2.272 317 L HA 0.437 4.777 4.340 -0.001 0.000 0.289 317 L C -2.859 173.869 176.870 -0.237 0.000 1.032 317 L CA -1.918 52.733 54.840 -0.316 0.000 0.810 317 L CB 1.729 43.594 42.059 -0.324 0.000 1.205 317 L HN 0.012 nan 8.230 nan 0.000 0.422 318 P HA 0.143 nan 4.420 nan 0.000 0.271 318 P C 0.249 177.505 177.300 -0.074 0.000 1.220 318 P CA -0.199 62.760 63.100 -0.234 0.000 0.768 318 P CB 1.082 32.607 31.700 -0.291 0.000 0.848 319 A N 2.777 125.570 122.820 -0.045 0.000 2.125 319 A HA -0.141 4.178 4.320 -0.001 0.000 0.219 319 A C 1.961 179.555 177.584 0.017 0.000 1.156 319 A CA 1.786 53.823 52.037 0.001 0.000 0.671 319 A CB -1.204 17.790 19.000 -0.010 0.000 0.794 319 A HN 0.586 nan 8.150 nan 0.000 0.459 320 S N -0.136 115.565 115.700 0.002 0.000 2.489 320 S HA 0.370 4.840 4.470 -0.001 0.000 0.228 320 S C 1.064 175.688 174.600 0.039 0.000 0.995 320 S CA 0.336 58.546 58.200 0.018 0.000 0.934 320 S CB -0.672 62.535 63.200 0.011 0.000 0.771 320 S HN 0.929 nan 8.310 nan 0.000 0.522 321 A N 1.761 124.610 122.820 0.049 0.000 2.548 321 A HA 0.367 4.687 4.320 -0.001 0.000 0.247 321 A C 1.109 178.739 177.584 0.077 0.000 1.067 321 A CA -0.271 51.815 52.037 0.081 0.000 0.757 321 A CB 0.254 19.319 19.000 0.109 0.000 0.996 321 A HN 0.232 nan 8.150 nan 0.000 0.504 322 K N 1.276 121.717 120.400 0.068 0.000 2.399 322 K HA 0.244 4.564 4.320 -0.001 0.000 0.196 322 K C -0.301 176.321 176.600 0.036 0.000 1.103 322 K CA 0.629 56.944 56.287 0.047 0.000 0.986 322 K CB 0.672 33.196 32.500 0.040 0.000 0.952 322 K HN 0.481 nan 8.250 nan 0.000 0.541 323 V N 2.125 122.074 119.914 0.059 0.000 2.638 323 V HA 0.492 4.611 4.120 -0.001 0.000 0.306 323 V C -0.582 175.565 176.094 0.088 0.000 1.052 323 V CA -0.826 61.507 62.300 0.054 0.000 0.885 323 V CB 2.424 34.284 31.823 0.061 0.000 0.999 323 V HN -0.045 nan 8.190 nan 0.000 0.424 324 I N 2.830 123.444 120.570 0.073 0.000 2.466 324 I HA 0.481 4.651 4.170 -0.001 0.000 0.289 324 I C -0.296 175.900 176.117 0.132 0.000 1.026 324 I CA -0.226 61.152 61.300 0.131 0.000 1.078 324 I CB 2.511 40.605 38.000 0.157 0.000 1.249 324 I HN 0.525 nan 8.210 nan 0.000 0.429 325 T N 5.487 120.127 114.554 0.144 0.000 2.770 325 T HA 0.425 4.775 4.350 -0.001 0.000 0.283 325 T C -0.231 174.560 174.700 0.152 0.000 0.988 325 T CA -0.439 61.745 62.100 0.139 0.000 0.957 325 T CB 1.561 70.512 68.868 0.138 0.000 0.930 325 T HN 0.149 nan 8.240 nan 0.000 0.443 326 V N 5.051 125.057 119.914 0.154 0.000 2.383 326 V HA 0.346 4.465 4.120 -0.001 0.000 0.275 326 V C -0.373 175.770 176.094 0.081 0.000 1.036 326 V CA -0.868 61.541 62.300 0.180 0.000 0.889 326 V CB 1.094 33.082 31.823 0.275 0.000 0.985 326 V HN 0.597 nan 8.190 nan 0.000 0.459 327 L N 5.055 126.332 121.223 0.090 0.000 2.264 327 L HA 0.508 4.847 4.340 -0.001 0.000 0.289 327 L C 0.097 177.108 176.870 0.234 0.000 1.044 327 L CA 0.245 55.122 54.840 0.061 0.000 0.807 327 L CB 1.001 42.964 42.059 -0.160 0.000 1.192 327 L HN 0.595 nan 8.230 nan 0.000 0.425 328 D N 3.054 123.567 120.400 0.188 0.000 2.278 328 D HA 0.254 4.893 4.640 -0.001 0.000 0.245 328 D C 0.085 176.375 176.300 -0.016 0.000 1.052 328 D CA -0.430 53.668 54.000 0.163 0.000 0.834 328 D CB 1.960 42.775 40.800 0.026 0.000 1.194 328 D HN 0.326 nan 8.370 nan 0.000 0.481 329 R N 1.720 122.142 120.500 -0.130 0.000 4.141 329 R HA 0.195 4.535 4.340 -0.001 0.000 0.281 329 R C -0.393 175.746 176.300 -0.269 0.000 1.608 329 R CA 0.033 55.749 56.100 -0.640 0.000 1.426 329 R CB 0.092 29.735 30.300 -1.095 0.000 1.432 329 R HN 0.331 nan 8.270 nan 0.000 0.708 330 T N -0.818 113.668 114.554 -0.113 0.000 2.718 330 T HA 0.266 4.616 4.350 -0.001 0.000 0.306 330 T C -2.027 172.633 174.700 -0.067 0.000 1.485 330 T CA -0.765 61.319 62.100 -0.028 0.000 0.997 330 T CB 1.425 70.386 68.868 0.156 0.000 1.504 330 T HN 0.218 nan 8.240 nan 0.000 0.497 331 K N 1.850 122.222 120.400 -0.046 0.000 2.578 331 K HA 0.426 4.746 4.320 -0.001 0.000 0.250 331 K C -1.299 175.274 176.600 -0.045 0.000 0.955 331 K CA -0.408 55.846 56.287 -0.055 0.000 0.825 331 K CB 1.224 33.696 32.500 -0.046 0.000 1.151 331 K HN 0.595 nan 8.250 nan 0.000 0.432 332 E N 5.161 125.324 120.200 -0.061 0.000 2.173 332 E HA 0.223 4.572 4.350 -0.001 0.000 0.249 332 E C -2.451 174.121 176.600 -0.047 0.000 0.923 332 E CA -2.053 54.316 56.400 -0.052 0.000 0.754 332 E CB 1.190 30.848 29.700 -0.070 0.000 1.177 332 E HN 0.378 nan 8.360 nan 0.000 0.430 333 P HA -0.072 nan 4.420 nan 0.000 0.260 333 P C 0.913 178.191 177.300 -0.036 0.000 1.172 333 P CA 0.940 64.019 63.100 -0.034 0.000 0.760 333 P CB 0.571 32.259 31.700 -0.019 0.000 0.773 334 G N 1.951 110.723 108.800 -0.046 0.000 2.253 334 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.251 334 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.251 334 G C 0.500 175.371 174.900 -0.049 0.000 0.998 334 G CA 0.041 45.114 45.100 -0.045 0.000 0.621 334 G HN 0.875 nan 8.290 nan 0.000 0.524 335 A N 1.144 123.935 122.820 -0.049 0.000 2.386 335 A HA 0.661 4.980 4.320 -0.001 0.000 0.248 335 A C 0.083 177.638 177.584 -0.049 0.000 1.082 335 A CA -0.108 51.905 52.037 -0.041 0.000 0.789 335 A CB 0.435 19.412 19.000 -0.039 0.000 1.025 335 A HN 0.254 nan 8.150 nan 0.000 0.490 336 P HA 0.145 nan 4.420 nan 0.000 0.242 336 P C 0.471 177.816 177.300 0.076 0.000 1.197 336 P CA 1.287 64.380 63.100 -0.010 0.000 0.765 336 P CB 0.118 31.838 31.700 0.033 0.000 0.936 337 G N -0.636 108.224 108.800 0.100 0.000 2.377 337 G HA2 0.137 4.097 3.960 -0.001 0.000 0.297 337 G HA3 0.137 4.097 3.960 -0.001 0.000 0.297 337 G C -1.904 173.071 174.900 0.125 0.000 1.547 337 G CA -0.681 44.554 45.100 0.225 0.000 0.833 337 G HN -0.194 nan 8.290 nan 0.000 0.583 338 D N 1.088 121.531 120.400 0.071 0.000 2.344 338 D HA 0.290 4.929 4.640 -0.001 0.000 0.244 338 D C -1.200 175.052 176.300 -0.080 0.000 1.134 338 D CA -1.133 52.827 54.000 -0.067 0.000 0.930 338 D CB 1.584 42.310 40.800 -0.123 0.000 1.175 338 D HN 0.012 nan 8.370 nan 0.000 0.437 339 P HA -0.220 nan 4.420 nan 0.000 0.216 339 P C 1.587 178.856 177.300 -0.052 0.000 1.167 339 P CA 0.854 63.796 63.100 -0.262 0.000 0.933 339 P CB 0.126 31.422 31.700 -0.673 0.000 0.793 340 L N -1.971 119.264 121.223 0.020 0.000 2.042 340 L HA -0.191 4.148 4.340 -0.001 0.000 0.210 340 L C 2.465 179.390 176.870 0.091 0.000 1.076 340 L CA 1.751 56.716 54.840 0.208 0.000 0.749 340 L CB -1.725 40.515 42.059 0.301 0.000 0.893 340 L HN -0.048 nan 8.230 nan 0.000 0.432 341 Y N -0.298 119.988 120.300 -0.024 0.000 2.128 341 Y HA -0.255 4.294 4.550 -0.001 0.000 0.284 341 Y C 2.223 178.085 175.900 -0.063 0.000 1.154 341 Y CA 2.046 60.125 58.100 -0.034 0.000 1.149 341 Y CB -0.491 37.940 38.460 -0.048 0.000 0.976 341 Y HN 0.194 nan 8.280 nan 0.000 0.505 342 L N -0.126 120.944 121.223 -0.255 0.000 2.083 342 L HA -0.219 4.120 4.340 -0.001 0.000 0.209 342 L C 2.132 178.785 176.870 -0.361 0.000 1.083 342 L CA 1.486 56.120 54.840 -0.342 0.000 0.752 342 L CB -0.666 41.295 42.059 -0.162 0.000 0.899 342 L HN 0.218 nan 8.230 nan 0.000 0.433 343 D N -0.156 120.007 120.400 -0.395 0.000 2.097 343 D HA -0.136 4.503 4.640 -0.001 0.000 0.195 343 D C 2.363 178.229 176.300 -0.723 0.000 0.989 343 D CA 1.119 54.685 54.000 -0.724 0.000 0.827 343 D CB -0.155 39.963 40.800 -1.137 0.000 0.966 343 D HN 0.097 nan 8.370 nan 0.000 0.456 344 V N 0.799 120.417 119.914 -0.493 0.000 2.295 344 V HA -0.266 3.854 4.120 -0.001 0.000 0.246 344 V C 2.757 178.796 176.094 -0.091 0.000 1.049 344 V CA 1.242 63.334 62.300 -0.348 0.000 1.024 344 V CB -0.564 31.175 31.823 -0.139 0.000 0.648 344 V HN 0.280 nan 8.190 nan 0.000 0.447 345 C N 0.730 119.913 119.300 -0.194 0.000 2.401 345 C HA -0.183 4.277 4.460 -0.001 0.000 0.276 345 C C 3.311 178.297 174.990 -0.007 0.000 1.233 345 C CA 1.642 60.599 59.018 -0.102 0.000 1.753 345 C CB -1.187 26.340 27.740 -0.354 0.000 2.029 345 C HN 0.797 nan 8.230 nan 0.000 0.478 346 S N 1.807 117.435 115.700 -0.121 0.000 2.370 346 S HA -0.154 4.316 4.470 -0.001 0.000 0.226 346 S C 1.991 176.596 174.600 0.008 0.000 1.033 346 S CA 1.626 59.783 58.200 -0.071 0.000 1.011 346 S CB -0.619 62.496 63.200 -0.141 0.000 0.852 346 S HN 0.642 nan 8.310 nan 0.000 0.457 347 A N 0.967 123.768 122.820 -0.031 0.000 1.908 347 A HA 0.090 4.410 4.320 -0.001 0.000 0.218 347 A C 1.944 179.643 177.584 0.192 0.000 1.181 347 A CA 1.479 53.538 52.037 0.036 0.000 0.627 347 A CB -1.086 17.775 19.000 -0.232 0.000 0.818 347 A HN 0.573 nan 8.150 nan 0.000 0.445 348 F N -0.346 119.770 119.950 0.277 0.000 2.163 348 F HA -0.132 4.395 4.527 -0.001 0.000 0.297 348 F C 2.589 178.483 175.800 0.156 0.000 1.094 348 F CA 1.619 59.807 58.000 0.313 0.000 1.290 348 F CB -0.449 38.687 39.000 0.227 0.000 1.017 348 F HN 0.175 nan 8.300 nan 0.000 0.483 349 V N -0.900 119.165 119.914 0.251 0.000 2.343 349 V HA -0.257 3.863 4.120 -0.001 0.000 0.247 349 V C 1.944 178.100 176.094 0.104 0.000 1.051 349 V CA 2.355 64.742 62.300 0.144 0.000 1.036 349 V CB -0.685 31.189 31.823 0.085 0.000 0.654 349 V HN 0.444 nan 8.190 nan 0.000 0.451 350 E N 0.165 120.424 120.200 0.099 0.000 2.106 350 E HA -0.228 4.122 4.350 -0.001 0.000 0.192 350 E C 2.467 179.097 176.600 0.051 0.000 0.984 350 E CA 1.118 57.560 56.400 0.071 0.000 0.806 350 E CB -0.240 29.506 29.700 0.077 0.000 0.750 350 E HN 0.624 nan 8.360 nan 0.000 0.458 351 R N 0.276 120.807 120.500 0.052 0.000 2.120 351 R HA -0.105 4.235 4.340 -0.001 0.000 0.234 351 R C 1.002 177.275 176.300 -0.046 0.000 1.123 351 R CA 1.185 57.240 56.100 -0.074 0.000 0.975 351 R CB -0.481 29.643 30.300 -0.293 0.000 0.866 351 R HN 0.291 nan 8.270 nan 0.000 0.446 352 G N 1.290 110.104 108.800 0.023 0.000 2.356 352 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.296 352 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.296 352 G C -0.309 174.599 174.900 0.013 0.000 1.022 352 G CA 1.168 46.285 45.100 0.028 0.000 0.961 352 G HN 0.581 nan 8.290 nan 0.000 0.510 353 E N -0.533 119.680 120.200 0.020 0.000 4.106 353 E HA 0.705 5.055 4.350 -0.001 0.000 0.167 353 E C 1.054 177.688 176.600 0.057 0.000 1.009 353 E CA -0.572 55.835 56.400 0.010 0.000 1.003 353 E CB 0.049 29.723 29.700 -0.043 0.000 1.840 353 E HN 0.768 nan 8.360 nan 0.000 0.386 354 A N 1.456 124.312 122.820 0.061 0.000 2.540 354 A HA 0.181 4.501 4.320 -0.001 0.000 0.239 354 A C -0.199 177.477 177.584 0.153 0.000 1.061 354 A CA 0.616 52.706 52.037 0.089 0.000 0.758 354 A CB -0.044 19.007 19.000 0.085 0.000 0.991 354 A HN 0.303 nan 8.150 nan 0.000 0.502 355 M N 4.743 124.396 119.600 0.087 0.000 2.065 355 M HA 0.259 4.739 4.480 -0.001 0.000 0.308 355 M C -2.278 173.991 176.300 -0.052 0.000 0.939 355 M CA -1.935 53.387 55.300 0.038 0.000 0.890 355 M CB 0.398 33.020 32.600 0.036 0.000 1.383 355 M HN 0.537 nan 8.290 nan 0.000 0.381 356 P HA 0.180 nan 4.420 nan 0.000 0.273 356 P C -0.377 176.837 177.300 -0.144 0.000 1.250 356 P CA -0.416 62.620 63.100 -0.108 0.000 0.793 356 P CB 0.896 32.541 31.700 -0.091 0.000 1.011 357 K N 1.068 121.427 120.400 -0.067 0.000 2.379 357 K HA 0.258 4.578 4.320 -0.001 0.000 0.284 357 K C -0.556 176.014 176.600 -0.051 0.000 1.044 357 K CA 0.291 56.553 56.287 -0.043 0.000 0.974 357 K CB -0.747 31.750 32.500 -0.005 0.000 0.962 357 K HN 0.320 nan 8.250 nan 0.000 0.474 358 I N 6.398 126.944 120.570 -0.039 0.000 2.378 358 I HA 0.327 4.496 4.170 -0.001 0.000 0.291 358 I C -0.512 175.654 176.117 0.081 0.000 0.992 358 I CA -0.873 60.438 61.300 0.017 0.000 1.154 358 I CB 1.103 39.097 38.000 -0.010 0.000 1.315 358 I HN 0.399 nan 8.210 nan 0.000 0.448 359 L N 5.176 126.442 121.223 0.072 0.000 2.341 359 L HA 0.852 5.192 4.340 -0.001 0.000 0.267 359 L C -0.208 176.565 176.870 -0.163 0.000 1.009 359 L CA -0.833 53.986 54.840 -0.035 0.000 0.819 359 L CB 2.060 44.164 42.059 0.076 0.000 1.323 359 L HN 0.632 nan 8.230 nan 0.000 0.425 360 A N 0.678 123.161 122.820 -0.562 0.000 2.342 360 A HA 0.885 5.204 4.320 -0.001 0.000 0.323 360 A C -0.269 176.803 177.584 -0.853 0.000 1.125 360 A CA -0.364 51.218 52.037 -0.758 0.000 0.785 360 A CB 1.544 19.686 19.000 -1.430 0.000 1.221 360 A HN 0.773 nan 8.150 nan 0.000 0.463 361 G N 0.705 109.009 108.800 -0.827 0.000 2.638 361 G HA2 0.588 4.547 3.960 -0.001 0.000 0.302 361 G HA3 0.588 4.547 3.960 -0.001 0.000 0.302 361 G C -0.903 173.679 174.900 -0.531 0.000 1.365 361 G CA -0.677 43.582 45.100 -1.402 0.000 0.987 361 G HN 0.860 nan 8.290 nan 0.000 0.495 362 R N 0.597 120.859 120.500 -0.397 0.000 2.514 362 R HA 0.722 5.061 4.340 -0.001 0.000 0.301 362 R C -1.215 175.120 176.300 0.058 0.000 0.962 362 R CA -0.778 55.253 56.100 -0.116 0.000 0.882 362 R CB 1.326 31.546 30.300 -0.134 0.000 1.143 362 R HN 0.742 nan 8.270 nan 0.000 0.452 363 Y N 0.257 120.460 120.300 -0.162 0.000 2.670 363 Y HA 0.526 5.076 4.550 -0.001 0.000 0.334 363 Y C 0.472 176.277 175.900 -0.158 0.000 1.185 363 Y CA -0.966 57.050 58.100 -0.140 0.000 1.053 363 Y CB 0.652 38.918 38.460 -0.323 0.000 1.298 363 Y HN 0.721 nan 8.280 nan 0.000 0.459 364 G N 0.907 109.592 108.800 -0.192 0.000 2.212 364 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.267 364 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.267 364 G C -0.498 174.259 174.900 -0.238 0.000 1.002 364 G CA 0.334 45.295 45.100 -0.232 0.000 0.729 364 G HN 0.633 nan 8.290 nan 0.000 0.517 365 L N 0.421 121.527 121.223 -0.194 0.000 2.540 365 L HA 0.465 4.805 4.340 -0.001 0.000 0.276 365 L C 1.755 178.598 176.870 -0.044 0.000 1.212 365 L CA 1.441 56.207 54.840 -0.122 0.000 0.893 365 L CB 0.197 42.206 42.059 -0.083 0.000 1.138 365 L HN 1.283 nan 8.230 nan 0.000 0.491 366 G N 2.969 111.774 108.800 0.009 0.000 2.366 366 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.299 366 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.299 366 G C 0.785 175.737 174.900 0.086 0.000 1.020 366 G CA 0.502 45.661 45.100 0.099 0.000 1.026 366 G HN 0.867 nan 8.290 nan 0.000 0.512 367 S N -2.339 113.416 115.700 0.091 0.000 3.561 367 S HA -0.242 4.228 4.470 -0.001 0.000 0.318 367 S C 1.105 175.689 174.600 -0.026 0.000 1.181 367 S CA 1.887 60.130 58.200 0.071 0.000 0.916 367 S CB -0.611 62.671 63.200 0.137 0.000 0.966 367 S HN 1.484 nan 8.310 nan 0.000 0.550 368 K N 2.525 122.909 120.400 -0.027 0.000 2.489 368 K HA 0.093 4.413 4.320 -0.001 0.000 0.278 368 K C 0.258 176.892 176.600 0.056 0.000 1.000 368 K CA 0.300 56.579 56.287 -0.013 0.000 1.012 368 K CB 0.413 32.917 32.500 0.006 0.000 0.903 368 K HN 0.136 nan 8.250 nan 0.000 0.485 369 E N 2.782 123.009 120.200 0.045 0.000 2.481 369 E HA -0.088 4.261 4.350 -0.001 0.000 0.263 369 E C -0.798 175.934 176.600 0.219 0.000 0.992 369 E CA 0.624 57.077 56.400 0.087 0.000 0.938 369 E CB 0.178 29.895 29.700 0.028 0.000 0.933 369 E HN 0.528 nan 8.360 nan 0.000 0.453 370 F N 2.747 122.730 119.950 0.055 0.000 2.676 370 F HA 0.135 4.661 4.527 -0.001 0.000 0.371 370 F C 0.041 175.824 175.800 -0.029 0.000 1.141 370 F CA -0.449 57.586 58.000 0.058 0.000 1.133 370 F CB 0.497 39.588 39.000 0.152 0.000 1.376 370 F HN 0.296 nan 8.300 nan 0.000 0.491 371 S N 3.864 119.314 115.700 -0.417 0.000 2.713 371 S HA 0.555 5.024 4.470 -0.001 0.000 0.283 371 S C -2.173 172.000 174.600 -0.711 0.000 1.161 371 S CA -1.386 56.450 58.200 -0.607 0.000 0.999 371 S CB 1.755 64.701 63.200 -0.423 0.000 1.039 371 S HN 0.322 nan 8.310 nan 0.000 0.548 372 P HA -0.094 nan 4.420 nan 0.000 0.216 372 P C 1.602 178.680 177.300 -0.371 0.000 1.153 372 P CA 2.112 64.993 63.100 -0.366 0.000 0.858 372 P CB -0.267 31.346 31.700 -0.145 0.000 0.789 373 A N -0.977 121.682 122.820 -0.269 0.000 1.883 373 A HA -0.239 4.081 4.320 -0.001 0.000 0.217 373 A C 2.205 179.540 177.584 -0.416 0.000 1.186 373 A CA 2.151 53.982 52.037 -0.344 0.000 0.624 373 A CB -1.519 17.405 19.000 -0.126 0.000 0.822 373 A HN 0.121 nan 8.150 nan 0.000 0.444 374 M N -0.821 118.541 119.600 -0.396 0.000 2.159 374 M HA -0.129 4.350 4.480 -0.001 0.000 0.263 374 M C 2.060 178.104 176.300 -0.425 0.000 1.063 374 M CA 1.285 56.365 55.300 -0.366 0.000 1.110 374 M CB -0.387 31.979 32.600 -0.389 0.000 1.374 374 M HN 0.262 nan 8.290 nan 0.000 0.411 375 V N 0.304 119.869 119.914 -0.581 0.000 2.427 375 V HA -0.240 3.879 4.120 -0.001 0.000 0.248 375 V C 2.340 178.298 176.094 -0.227 0.000 1.051 375 V CA 1.661 63.730 62.300 -0.384 0.000 1.048 375 V CB -0.658 30.993 31.823 -0.286 0.000 0.666 375 V HN 0.373 nan 8.190 nan 0.000 0.456 376 K N 0.784 120.944 120.400 -0.400 0.000 2.026 376 K HA -0.128 4.192 4.320 -0.001 0.000 0.208 376 K C 2.345 178.789 176.600 -0.259 0.000 1.048 376 K CA 1.952 57.985 56.287 -0.423 0.000 0.929 376 K CB -0.765 31.120 32.500 -1.025 0.000 0.713 376 K HN 0.380 nan 8.250 nan 0.000 0.439 377 S N -0.134 115.395 115.700 -0.285 0.000 2.359 377 S HA -0.155 4.315 4.470 -0.001 0.000 0.223 377 S C 1.940 176.391 174.600 -0.248 0.000 1.039 377 S CA 1.566 59.627 58.200 -0.232 0.000 1.042 377 S CB -0.495 62.579 63.200 -0.209 0.000 0.915 377 S HN 0.157 nan 8.310 nan 0.000 0.439 378 V N 0.333 120.097 119.914 -0.249 0.000 2.282 378 V HA -0.245 3.875 4.120 -0.001 0.000 0.249 378 V C 1.903 177.836 176.094 -0.268 0.000 1.057 378 V CA 1.894 64.022 62.300 -0.285 0.000 1.032 378 V CB -0.860 30.852 31.823 -0.185 0.000 0.645 378 V HN 0.527 nan 8.190 nan 0.000 0.447 379 Y N 0.149 120.389 120.300 -0.100 0.000 2.200 379 Y HA -0.203 4.346 4.550 -0.001 0.000 0.290 379 Y C 2.582 178.434 175.900 -0.081 0.000 1.137 379 Y CA 1.535 59.596 58.100 -0.065 0.000 1.163 379 Y CB -0.234 38.191 38.460 -0.058 0.000 0.988 379 Y HN 0.283 nan 8.280 nan 0.000 0.518 380 D N -0.243 120.173 120.400 0.026 0.000 2.144 380 D HA -0.191 4.449 4.640 -0.001 0.000 0.199 380 D C 1.778 178.044 176.300 -0.057 0.000 0.984 380 D CA 1.225 55.211 54.000 -0.023 0.000 0.834 380 D CB -0.554 40.205 40.800 -0.070 0.000 0.955 380 D HN 0.277 nan 8.370 nan 0.000 0.465 381 N N 0.107 118.729 118.700 -0.130 0.000 2.149 381 N HA -0.119 4.620 4.740 -0.001 0.000 0.188 381 N C 1.707 177.166 175.510 -0.085 0.000 1.019 381 N CA 0.959 53.910 53.050 -0.166 0.000 0.857 381 N CB -0.125 38.149 38.487 -0.356 0.000 0.997 381 N HN 0.124 nan 8.380 nan 0.000 0.426 382 M N -0.690 118.887 119.600 -0.039 0.000 2.374 382 M HA -0.049 4.431 4.480 -0.001 0.000 0.264 382 M C 1.471 177.788 176.300 0.028 0.000 1.067 382 M CA 1.147 56.457 55.300 0.016 0.000 1.103 382 M CB -0.065 32.575 32.600 0.068 0.000 1.402 382 M HN 0.306 nan 8.290 nan 0.000 0.444 383 S N -1.427 114.287 115.700 0.024 0.000 2.511 383 S HA 0.247 4.716 4.470 -0.001 0.000 0.214 383 S C 1.169 175.771 174.600 0.004 0.000 0.997 383 S CA 0.003 58.217 58.200 0.022 0.000 0.908 383 S CB 0.175 63.393 63.200 0.031 0.000 0.803 383 S HN 0.398 nan 8.310 nan 0.000 0.504 384 G N 1.366 110.159 108.800 -0.012 0.000 3.374 384 G HA2 0.572 4.532 3.960 -0.001 0.000 0.200 384 G HA3 0.572 4.532 3.960 -0.001 0.000 0.200 384 G C 1.335 176.222 174.900 -0.021 0.000 1.801 384 G CA 0.005 45.093 45.100 -0.019 0.000 0.842 384 G HN 0.447 nan 8.290 nan 0.000 0.688 385 A N -0.475 122.324 122.820 -0.034 0.000 1.978 385 A HA 0.065 4.385 4.320 -0.001 0.000 0.220 385 A C 1.402 178.973 177.584 -0.022 0.000 1.170 385 A CA 2.093 54.113 52.037 -0.028 0.000 0.636 385 A CB -0.643 18.335 19.000 -0.037 0.000 0.810 385 A HN 0.646 nan 8.150 nan 0.000 0.448 386 K N -1.194 119.184 120.400 -0.036 0.000 3.096 386 K HA -0.176 4.143 4.320 -0.001 0.000 0.266 386 K C -0.015 176.587 176.600 0.003 0.000 1.043 386 K CA 0.947 57.224 56.287 -0.017 0.000 0.758 386 K CB -1.427 31.075 32.500 0.003 0.000 1.260 386 K HN 0.716 nan 8.250 nan 0.000 0.481 387 K N 1.353 121.745 120.400 -0.014 0.000 2.436 387 K HA 0.039 4.358 4.320 -0.001 0.000 0.275 387 K C 0.057 176.740 176.600 0.139 0.000 0.999 387 K CA 0.014 56.327 56.287 0.043 0.000 0.980 387 K CB 0.493 33.006 32.500 0.022 0.000 0.919 387 K HN 0.127 nan 8.250 nan 0.000 0.484 388 N N 1.321 120.089 118.700 0.114 0.000 2.404 388 N HA 0.175 4.915 4.740 -0.001 0.000 0.297 388 N C -1.294 174.229 175.510 0.022 0.000 1.163 388 N CA -0.199 52.862 53.050 0.018 0.000 0.864 388 N CB 0.544 38.978 38.487 -0.088 0.000 1.247 388 N HN 0.714 nan 8.380 nan 0.000 0.510 389 H N -0.513 118.476 119.070 -0.135 0.000 2.604 389 H HA -0.207 4.349 4.556 -0.001 0.000 0.321 389 H C -0.594 174.654 175.328 -0.133 0.000 1.132 389 H CA 1.130 57.036 56.048 -0.236 0.000 1.129 389 H CB -1.814 27.849 29.762 -0.166 0.000 1.526 389 H HN 0.370 nan 8.280 nan 0.000 0.415 390 F N -1.081 118.854 119.950 -0.026 0.000 2.375 390 F HA 0.725 5.252 4.527 -0.001 0.000 0.317 390 F C 0.550 176.353 175.800 0.005 0.000 1.124 390 F CA -0.502 57.495 58.000 -0.006 0.000 1.050 390 F CB 1.010 39.997 39.000 -0.021 0.000 1.314 390 F HN 0.053 nan 8.300 nan 0.000 0.511 391 T N -0.471 114.278 114.554 0.326 0.000 2.907 391 T HA 0.701 5.050 4.350 -0.001 0.000 0.292 391 T C -1.286 173.632 174.700 0.363 0.000 1.043 391 T CA -0.880 61.351 62.100 0.218 0.000 1.003 391 T CB 1.499 70.429 68.868 0.103 0.000 1.084 391 T HN 1.058 nan 8.240 nan 0.000 0.483 392 V N 1.003 121.106 119.914 0.316 0.000 2.733 392 V HA 0.699 4.819 4.120 -0.001 0.000 0.306 392 V C 0.547 176.781 176.094 0.233 0.000 1.084 392 V CA 0.797 63.266 62.300 0.280 0.000 0.905 392 V CB 1.060 33.104 31.823 0.368 0.000 1.010 392 V HN 1.703 nan 8.190 nan 0.000 0.424 393 G N 5.410 114.300 108.800 0.150 0.000 2.296 393 G HA2 -0.089 3.870 3.960 -0.001 0.000 0.188 393 G HA3 -0.089 3.870 3.960 -0.001 0.000 0.188 393 G C -0.126 174.820 174.900 0.076 0.000 1.000 393 G CA 0.116 45.291 45.100 0.124 0.000 0.672 393 G HN 1.677 nan 8.290 nan 0.000 0.483 394 I N -2.513 118.101 120.570 0.074 0.000 3.174 394 I HA 0.846 5.016 4.170 -0.001 0.000 0.313 394 I C -0.695 175.456 176.117 0.056 0.000 1.155 394 I CA -1.436 59.899 61.300 0.058 0.000 0.977 394 I CB 2.243 40.272 38.000 0.049 0.000 1.248 394 I HN -0.023 nan 8.210 nan 0.000 0.453 395 E N 2.177 122.410 120.200 0.055 0.000 2.073 395 E HA 0.147 4.497 4.350 -0.001 0.000 0.269 395 E C -1.366 175.265 176.600 0.051 0.000 0.917 395 E CA -0.458 55.970 56.400 0.046 0.000 0.757 395 E CB 0.894 30.617 29.700 0.038 0.000 1.111 395 E HN 0.623 nan 8.360 nan 0.000 0.410 396 D N 4.443 124.871 120.400 0.047 0.000 2.524 396 D HA -0.006 4.634 4.640 -0.001 0.000 0.222 396 D C 0.114 176.435 176.300 0.035 0.000 1.142 396 D CA -0.427 53.599 54.000 0.045 0.000 0.973 396 D CB 0.451 41.278 40.800 0.045 0.000 1.025 396 D HN 0.433 nan 8.370 nan 0.000 0.519 397 D N 1.762 122.181 120.400 0.032 0.000 2.319 397 D HA -0.061 4.579 4.640 -0.001 0.000 0.230 397 D C 1.119 177.430 176.300 0.019 0.000 1.094 397 D CA -0.031 53.982 54.000 0.021 0.000 0.856 397 D CB 0.374 41.184 40.800 0.015 0.000 0.915 397 D HN 0.247 nan 8.370 nan 0.000 0.517 398 V N 0.397 120.325 119.914 0.024 0.000 2.690 398 V HA -0.030 4.090 4.120 -0.001 0.000 0.240 398 V C 2.187 178.291 176.094 0.016 0.000 1.078 398 V CA 1.788 64.100 62.300 0.019 0.000 1.102 398 V CB 0.223 32.061 31.823 0.024 0.000 0.800 398 V HN 0.416 nan 8.190 nan 0.000 0.479 399 T N -2.619 111.946 114.554 0.018 0.000 3.010 399 T HA 0.341 4.691 4.350 -0.001 0.000 0.257 399 T C 1.397 176.110 174.700 0.022 0.000 1.020 399 T CA 0.555 62.664 62.100 0.015 0.000 0.938 399 T CB 0.726 69.600 68.868 0.010 0.000 1.049 399 T HN 0.875 nan 8.240 nan 0.000 0.522 400 G N 2.411 111.226 108.800 0.026 0.000 2.295 400 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.287 400 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.287 400 G C 0.713 175.640 174.900 0.046 0.000 1.055 400 G CA 0.741 45.860 45.100 0.031 0.000 0.922 400 G HN 0.896 nan 8.290 nan 0.000 0.503 401 T N -2.496 112.092 114.554 0.057 0.000 3.081 401 T HA 0.449 4.799 4.350 -0.001 0.000 0.250 401 T C 1.418 176.198 174.700 0.134 0.000 1.100 401 T CA 0.919 63.073 62.100 0.090 0.000 1.038 401 T CB 0.205 69.117 68.868 0.074 0.000 0.962 401 T HN 1.420 nan 8.240 nan 0.000 0.516 402 S N 1.614 117.373 115.700 0.099 0.000 2.586 402 S HA 0.614 5.083 4.470 -0.001 0.000 0.274 402 S C -0.104 174.528 174.600 0.053 0.000 1.281 402 S CA -1.025 57.240 58.200 0.108 0.000 1.035 402 S CB 0.642 63.889 63.200 0.078 0.000 0.962 402 S HN 0.389 nan 8.310 nan 0.000 0.512 403 L N 3.241 124.478 121.223 0.023 0.000 2.305 403 L HA 0.424 4.763 4.340 -0.001 0.000 0.281 403 L C -1.838 174.997 176.870 -0.058 0.000 1.085 403 L CA -2.054 52.728 54.840 -0.097 0.000 0.813 403 L CB 0.483 42.389 42.059 -0.255 0.000 1.157 403 L HN 0.533 nan 8.230 nan 0.000 0.436 404 P HA 0.118 nan 4.420 nan 0.000 0.271 404 P C -0.900 176.362 177.300 -0.064 0.000 1.218 404 P CA -0.214 62.858 63.100 -0.046 0.000 0.780 404 P CB 1.564 33.239 31.700 -0.042 0.000 0.901 405 V N 2.976 122.861 119.914 -0.049 0.000 2.444 405 V HA 0.160 4.280 4.120 -0.001 0.000 0.294 405 V C 0.012 176.076 176.094 -0.050 0.000 1.022 405 V CA -0.394 61.865 62.300 -0.067 0.000 0.850 405 V CB 1.498 33.285 31.823 -0.061 0.000 0.992 405 V HN 0.534 nan 8.190 nan 0.000 0.426 406 D N 3.977 124.342 120.400 -0.058 0.000 2.411 406 D HA 0.152 4.792 4.640 -0.001 0.000 0.225 406 D C 0.859 177.165 176.300 0.010 0.000 1.156 406 D CA -0.081 53.908 54.000 -0.018 0.000 0.874 406 D CB 0.621 41.416 40.800 -0.009 0.000 1.034 406 D HN 0.429 nan 8.370 nan 0.000 0.502 407 N N 2.532 121.239 118.700 0.012 0.000 2.575 407 N HA -0.042 4.698 4.740 -0.001 0.000 0.192 407 N C 0.929 176.467 175.510 0.046 0.000 1.200 407 N CA 0.131 53.196 53.050 0.024 0.000 0.897 407 N CB 0.502 38.994 38.487 0.007 0.000 0.990 407 N HN 0.452 nan 8.380 nan 0.000 0.449 408 A N 0.119 122.976 122.820 0.061 0.000 2.238 408 A HA 0.089 4.408 4.320 -0.001 0.000 0.210 408 A C 0.664 178.296 177.584 0.080 0.000 1.179 408 A CA -0.547 51.520 52.037 0.051 0.000 0.827 408 A CB -0.371 18.654 19.000 0.041 0.000 0.856 408 A HN 0.290 nan 8.150 nan 0.000 0.488 409 F N 1.219 121.136 119.950 -0.055 0.000 2.637 409 F HA 0.194 4.721 4.527 -0.001 0.000 0.372 409 F C 0.985 176.737 175.800 -0.080 0.000 1.107 409 F CA -0.163 57.794 58.000 -0.071 0.000 1.325 409 F CB 0.514 39.449 39.000 -0.109 0.000 1.016 409 F HN 0.317 nan 8.300 nan 0.000 0.593 410 A N 5.644 127.994 122.820 -0.784 0.000 2.425 410 A HA 0.045 4.365 4.320 -0.001 0.000 0.242 410 A C -0.005 177.171 177.584 -0.680 0.000 1.077 410 A CA -0.413 51.263 52.037 -0.602 0.000 0.781 410 A CB 0.090 18.821 19.000 -0.448 0.000 1.020 410 A HN 0.845 nan 8.150 nan 0.000 0.494 411 D N 0.856 121.056 120.400 -0.333 0.000 2.458 411 D HA 0.054 4.693 4.640 -0.001 0.000 0.243 411 D C 0.896 177.018 176.300 -0.298 0.000 1.146 411 D CA 1.134 55.004 54.000 -0.217 0.000 0.877 411 D CB 0.684 41.439 40.800 -0.075 0.000 1.176 411 D HN 0.564 nan 8.370 nan 0.000 0.461 412 T N -0.746 113.669 114.554 -0.233 0.000 3.085 412 T HA 0.077 4.427 4.350 -0.001 0.000 0.264 412 T C 0.860 175.561 174.700 0.002 0.000 1.019 412 T CA -0.441 61.529 62.100 -0.216 0.000 0.910 412 T CB -0.062 68.645 68.868 -0.268 0.000 1.059 412 T HN 0.420 nan 8.240 nan 0.000 0.542 413 T N 1.527 116.107 114.554 0.043 0.000 2.926 413 T HA 0.379 4.728 4.350 -0.001 0.000 0.307 413 T C -2.521 172.203 174.700 0.039 0.000 1.059 413 T CA -1.199 60.931 62.100 0.052 0.000 1.122 413 T CB -0.016 68.874 68.868 0.038 0.000 0.972 413 T HN 0.003 nan 8.240 nan 0.000 0.545 414 P HA 0.090 nan 4.420 nan 0.000 0.269 414 P C -0.132 177.188 177.300 0.035 0.000 1.205 414 P CA -0.302 62.813 63.100 0.026 0.000 0.780 414 P CB 0.367 32.065 31.700 -0.004 0.000 0.858 415 K N 1.560 121.982 120.400 0.037 0.000 2.436 415 K HA 0.258 4.578 4.320 -0.001 0.000 0.282 415 K C 0.920 177.548 176.600 0.048 0.000 1.044 415 K CA 1.013 57.325 56.287 0.041 0.000 1.028 415 K CB -0.790 31.731 32.500 0.035 0.000 0.919 415 K HN 0.774 nan 8.250 nan 0.000 0.474 416 G N 2.623 111.455 108.800 0.055 0.000 2.134 416 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.209 416 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.209 416 G C -0.081 174.869 174.900 0.084 0.000 0.993 416 G CA -0.127 45.013 45.100 0.068 0.000 0.669 416 G HN 0.600 nan 8.290 nan 0.000 0.519 417 T N 1.313 115.912 114.554 0.076 0.000 2.767 417 T HA 0.589 4.939 4.350 -0.001 0.000 0.288 417 T C 0.694 175.455 174.700 0.103 0.000 0.963 417 T CA -0.093 62.059 62.100 0.086 0.000 1.019 417 T CB 1.175 70.073 68.868 0.050 0.000 0.923 417 T HN 0.292 nan 8.240 nan 0.000 0.468 418 I N 3.955 124.615 120.570 0.150 0.000 2.315 418 I HA 0.265 4.434 4.170 -0.001 0.000 0.291 418 I C 0.365 176.590 176.117 0.180 0.000 1.006 418 I CA -0.582 60.822 61.300 0.174 0.000 1.265 418 I CB 1.094 39.221 38.000 0.211 0.000 1.387 418 I HN 0.442 nan 8.210 nan 0.000 0.475 419 Q N 5.609 125.493 119.800 0.140 0.000 2.322 419 Q HA 0.527 4.866 4.340 -0.001 0.000 0.265 419 Q C -1.306 174.771 176.000 0.129 0.000 0.985 419 Q CA -0.649 55.217 55.803 0.105 0.000 0.849 419 Q CB 2.533 31.310 28.738 0.064 0.000 1.274 419 Q HN 0.632 nan 8.270 nan 0.000 0.449 420 C N 1.836 121.202 119.300 0.111 0.000 2.561 420 C HA 0.558 5.018 4.460 -0.001 0.000 0.319 420 C C -0.402 174.499 174.990 -0.150 0.000 1.198 420 C CA -0.714 58.328 59.018 0.039 0.000 1.665 420 C CB 1.666 29.482 27.740 0.127 0.000 2.258 420 C HN 0.795 nan 8.230 nan 0.000 0.493 421 Q N 0.633 120.227 119.800 -0.344 0.000 2.305 421 Q HA 0.655 4.994 4.340 -0.001 0.000 0.271 421 Q C -1.814 173.929 176.000 -0.428 0.000 1.046 421 Q CA -0.222 55.365 55.803 -0.360 0.000 0.798 421 Q CB 2.178 30.773 28.738 -0.238 0.000 1.286 421 Q HN 0.653 nan 8.270 nan 0.000 0.435 422 F N 0.781 120.667 119.950 -0.106 0.000 2.507 422 F HA 0.423 4.950 4.527 -0.001 0.000 0.328 422 F C -1.037 174.673 175.800 -0.151 0.000 1.136 422 F CA -0.690 57.261 58.000 -0.082 0.000 0.930 422 F CB 1.079 39.983 39.000 -0.159 0.000 1.166 422 F HN 0.432 nan 8.300 nan 0.000 0.436 423 W N 2.805 124.112 121.300 0.013 0.000 2.311 423 W HA 0.641 5.301 4.660 -0.001 0.000 0.317 423 W C 0.402 177.038 176.519 0.194 0.000 1.065 423 W CA -0.718 56.693 57.345 0.110 0.000 1.364 423 W CB 1.410 30.999 29.460 0.214 0.000 1.233 423 W HN 0.635 nan 8.180 nan 0.000 0.409 424 G N 2.135 111.129 108.800 0.322 0.000 2.735 424 G HA2 0.690 4.650 3.960 -0.001 0.000 0.301 424 G HA3 0.690 4.650 3.960 -0.001 0.000 0.301 424 G C -1.973 173.179 174.900 0.420 0.000 1.279 424 G CA -0.977 44.319 45.100 0.326 0.000 1.019 424 G HN 0.310 nan 8.290 nan 0.000 0.497 425 L N 0.522 121.921 121.223 0.292 0.000 2.329 425 L HA 0.729 5.069 4.340 -0.001 0.000 0.279 425 L C 0.804 177.782 176.870 0.181 0.000 1.014 425 L CA -0.402 54.593 54.840 0.260 0.000 0.814 425 L CB 1.362 43.502 42.059 0.136 0.000 1.257 425 L HN 0.751 nan 8.230 nan 0.000 0.424 426 G N 4.075 112.981 108.800 0.177 0.000 2.178 426 G HA2 0.380 4.340 3.960 -0.001 0.000 0.244 426 G HA3 0.380 4.340 3.960 -0.001 0.000 0.244 426 G C 0.780 175.743 174.900 0.104 0.000 1.213 426 G CA 0.406 45.589 45.100 0.139 0.000 0.912 426 G HN 2.012 nan 8.290 nan 0.000 0.474 427 A N 1.923 124.795 122.820 0.087 0.000 3.028 427 A HA -0.169 4.151 4.320 -0.001 0.000 0.248 427 A C 1.390 179.010 177.584 0.060 0.000 1.316 427 A CA 1.520 53.594 52.037 0.062 0.000 1.003 427 A CB -1.799 17.233 19.000 0.053 0.000 1.148 427 A HN 1.274 nan 8.150 nan 0.000 0.828 428 D N -1.037 119.409 120.400 0.078 0.000 2.340 428 D HA 0.391 5.030 4.640 -0.001 0.000 0.217 428 D C 1.394 177.743 176.300 0.083 0.000 1.081 428 D CA 0.856 54.904 54.000 0.080 0.000 0.842 428 D CB -0.606 40.257 40.800 0.105 0.000 0.934 428 D HN 1.820 nan 8.370 nan 0.000 0.511 429 G N -0.068 108.771 108.800 0.065 0.000 2.168 429 G HA2 -0.388 3.572 3.960 -0.001 0.000 0.263 429 G HA3 -0.388 3.572 3.960 -0.001 0.000 0.263 429 G C 1.142 176.073 174.900 0.052 0.000 0.977 429 G CA 0.907 46.036 45.100 0.047 0.000 0.659 429 G HN 0.377 nan 8.290 nan 0.000 0.533 430 T N 0.200 114.809 114.554 0.092 0.000 2.652 430 T HA -0.117 4.232 4.350 -0.001 0.000 0.267 430 T C 2.567 177.235 174.700 -0.053 0.000 1.039 430 T CA 1.844 64.002 62.100 0.097 0.000 1.153 430 T CB -0.235 68.718 68.868 0.141 0.000 0.863 430 T HN 0.312 nan 8.240 nan 0.000 0.428 431 V N 1.417 121.275 119.914 -0.095 0.000 2.295 431 V HA -0.121 3.998 4.120 -0.001 0.000 0.246 431 V C 2.895 178.844 176.094 -0.242 0.000 1.049 431 V CA 2.042 64.188 62.300 -0.258 0.000 1.024 431 V CB -1.392 30.185 31.823 -0.409 0.000 0.648 431 V HN 0.617 nan 8.190 nan 0.000 0.447 432 G N -0.607 108.106 108.800 -0.145 0.000 2.422 432 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.218 432 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.218 432 G C 1.722 176.586 174.900 -0.061 0.000 1.146 432 G CA 1.049 46.088 45.100 -0.102 0.000 0.769 432 G HN 0.619 nan 8.290 nan 0.000 0.547 433 A N 1.201 123.995 122.820 -0.044 0.000 1.929 433 A HA -0.033 4.286 4.320 -0.001 0.000 0.216 433 A C 2.275 179.814 177.584 -0.074 0.000 1.176 433 A CA 1.686 53.717 52.037 -0.011 0.000 0.628 433 A CB -0.347 18.667 19.000 0.024 0.000 0.816 433 A HN 0.329 nan 8.150 nan 0.000 0.444 434 N N 0.348 118.940 118.700 -0.180 0.000 2.166 434 N HA -0.122 4.618 4.740 -0.001 0.000 0.186 434 N C 1.555 177.057 175.510 -0.013 0.000 1.019 434 N CA 1.475 54.375 53.050 -0.249 0.000 0.856 434 N CB -0.319 38.054 38.487 -0.191 0.000 0.993 434 N HN 0.569 nan 8.380 nan 0.000 0.426 435 K N 0.472 120.891 120.400 0.033 0.000 2.097 435 K HA -0.038 4.281 4.320 -0.001 0.000 0.205 435 K C 1.932 178.579 176.600 0.078 0.000 1.050 435 K CA 0.681 57.017 56.287 0.081 0.000 0.938 435 K CB 0.031 32.530 32.500 -0.001 0.000 0.718 435 K HN 0.084 nan 8.250 nan 0.000 0.442 436 Q N 0.561 120.396 119.800 0.059 0.000 2.084 436 Q HA -0.067 4.272 4.340 -0.001 0.000 0.202 436 Q C 2.147 178.258 176.000 0.185 0.000 0.978 436 Q CA 1.690 57.551 55.803 0.096 0.000 0.844 436 Q CB -0.302 28.487 28.738 0.085 0.000 0.898 436 Q HN 0.321 nan 8.270 nan 0.000 0.426 437 A N 0.381 123.324 122.820 0.205 0.000 1.972 437 A HA -0.144 4.176 4.320 -0.001 0.000 0.219 437 A C 2.135 179.863 177.584 0.240 0.000 1.169 437 A CA 1.080 53.280 52.037 0.272 0.000 0.635 437 A CB -0.590 18.365 19.000 -0.075 0.000 0.810 437 A HN 0.367 nan 8.150 nan 0.000 0.446 438 I N -1.253 119.458 120.570 0.236 0.000 2.286 438 I HA -0.198 3.972 4.170 -0.001 0.000 0.245 438 I C 2.447 178.701 176.117 0.228 0.000 1.104 438 I CA 1.332 62.821 61.300 0.313 0.000 1.397 438 I CB -0.168 37.968 38.000 0.227 0.000 1.072 438 I HN 0.139 nan 8.210 nan 0.000 0.417 439 K N 1.167 121.664 120.400 0.162 0.000 2.001 439 K HA -0.033 4.287 4.320 -0.001 0.000 0.208 439 K C 1.936 178.607 176.600 0.119 0.000 1.048 439 K CA 1.385 57.740 56.287 0.114 0.000 0.932 439 K CB -0.439 32.108 32.500 0.078 0.000 0.715 439 K HN 0.152 nan 8.250 nan 0.000 0.437 440 I N 0.485 121.145 120.570 0.151 0.000 2.118 440 I HA -0.346 3.824 4.170 -0.001 0.000 0.241 440 I C 2.093 178.300 176.117 0.150 0.000 1.070 440 I CA 1.514 62.907 61.300 0.156 0.000 1.327 440 I CB -0.270 37.880 38.000 0.251 0.000 1.034 440 I HN 0.136 nan 8.210 nan 0.000 0.405 441 I N 0.247 120.921 120.570 0.173 0.000 2.252 441 I HA -0.187 3.982 4.170 -0.001 0.000 0.245 441 I C 2.640 178.815 176.117 0.097 0.000 1.102 441 I CA 1.540 62.896 61.300 0.094 0.000 1.385 441 I CB -0.805 37.168 38.000 -0.046 0.000 1.064 441 I HN 0.266 nan 8.210 nan 0.000 0.414 442 G N 0.342 109.224 108.800 0.137 0.000 2.418 442 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.217 442 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.217 442 G C 1.188 176.106 174.900 0.030 0.000 1.158 442 G CA 0.851 46.004 45.100 0.088 0.000 0.771 442 G HN 0.283 nan 8.290 nan 0.000 0.545 443 D N 0.448 120.870 120.400 0.037 0.000 2.224 443 D HA -0.020 4.620 4.640 -0.001 0.000 0.205 443 D C 1.563 177.865 176.300 0.003 0.000 0.965 443 D CA 0.553 54.559 54.000 0.011 0.000 0.852 443 D CB -0.018 40.791 40.800 0.016 0.000 0.947 443 D HN 0.243 nan 8.370 nan 0.000 0.494 444 N N -0.032 118.678 118.700 0.015 0.000 2.234 444 N HA 0.038 4.777 4.740 -0.001 0.000 0.227 444 N C 0.136 175.645 175.510 -0.001 0.000 1.151 444 N CA 0.187 53.240 53.050 0.006 0.000 0.865 444 N CB 1.450 39.945 38.487 0.013 0.000 1.066 444 N HN 0.234 nan 8.380 nan 0.000 0.515 445 T N -3.484 111.066 114.554 -0.007 0.000 2.754 445 T HA 0.300 4.650 4.350 -0.001 0.000 0.296 445 T C -0.535 174.138 174.700 -0.044 0.000 1.205 445 T CA -0.547 61.544 62.100 -0.015 0.000 1.009 445 T CB 1.850 70.718 68.868 -0.001 0.000 1.368 445 T HN -0.334 nan 8.240 nan 0.000 0.509 446 D N 0.278 120.647 120.400 -0.051 0.000 2.340 446 D HA 0.313 4.952 4.640 -0.001 0.000 0.217 446 D C 0.464 176.663 176.300 -0.168 0.000 1.081 446 D CA 0.011 53.945 54.000 -0.110 0.000 0.842 446 D CB -0.078 40.684 40.800 -0.063 0.000 0.934 446 D HN 0.435 nan 8.370 nan 0.000 0.511 447 L N 0.487 121.672 121.223 -0.063 0.000 2.439 447 L HA 0.184 4.523 4.340 -0.001 0.000 0.269 447 L C 0.235 177.087 176.870 -0.030 0.000 1.179 447 L CA -0.327 54.536 54.840 0.039 0.000 0.828 447 L CB 0.357 42.508 42.059 0.153 0.000 1.106 447 L HN -0.196 nan 8.230 nan 0.000 0.467 448 F N 1.249 121.265 119.950 0.111 0.000 2.384 448 F HA 0.558 5.084 4.527 -0.001 0.000 0.338 448 F C 0.575 176.433 175.800 0.096 0.000 1.103 448 F CA -0.298 57.750 58.000 0.079 0.000 1.157 448 F CB 1.266 40.290 39.000 0.040 0.000 1.167 448 F HN 0.430 nan 8.300 nan 0.000 0.529 449 A N 3.104 126.050 122.820 0.209 0.000 2.386 449 A HA 0.701 5.020 4.320 -0.001 0.000 0.311 449 A C -1.208 176.335 177.584 -0.068 0.000 1.068 449 A CA -0.620 51.428 52.037 0.017 0.000 0.743 449 A CB 1.832 20.948 19.000 0.194 0.000 1.258 449 A HN 0.718 nan 8.150 nan 0.000 0.429 450 Q N 1.261 120.906 119.800 -0.259 0.000 2.315 450 Q HA 0.598 4.937 4.340 -0.001 0.000 0.273 450 Q C -0.911 174.956 176.000 -0.222 0.000 1.053 450 Q CA -0.580 55.127 55.803 -0.160 0.000 0.817 450 Q CB 2.270 30.926 28.738 -0.136 0.000 1.326 450 Q HN 1.160 nan 8.270 nan 0.000 0.423 451 G N 2.175 110.906 108.800 -0.114 0.000 2.638 451 G HA2 0.567 4.527 3.960 -0.001 0.000 0.302 451 G HA3 0.567 4.527 3.960 -0.001 0.000 0.302 451 G C -2.433 172.348 174.900 -0.198 0.000 1.365 451 G CA -0.283 44.687 45.100 -0.218 0.000 0.987 451 G HN 0.501 nan 8.290 nan 0.000 0.495 452 Y N 1.092 121.000 120.300 -0.653 0.000 2.544 452 Y HA 0.751 5.301 4.550 -0.001 0.000 0.342 452 Y C -1.923 173.518 175.900 -0.765 0.000 1.062 452 Y CA -1.730 56.115 58.100 -0.425 0.000 1.023 452 Y CB 2.017 40.358 38.460 -0.199 0.000 1.308 452 Y HN 0.480 nan 8.280 nan 0.000 0.457 453 F N 2.437 121.999 119.950 -0.646 0.000 2.547 453 F HA 0.547 5.074 4.527 -0.001 0.000 0.316 453 F C -0.153 175.283 175.800 -0.608 0.000 1.121 453 F CA -0.828 56.867 58.000 -0.507 0.000 0.911 453 F CB 2.336 41.032 39.000 -0.506 0.000 1.179 453 F HN 0.299 nan 8.300 nan 0.000 0.443 454 S N 2.483 118.024 115.700 -0.265 0.000 2.457 454 S HA 0.569 5.038 4.470 -0.001 0.000 0.289 454 S C -0.887 173.553 174.600 -0.267 0.000 1.163 454 S CA -0.460 57.632 58.200 -0.180 0.000 1.078 454 S CB 0.371 63.501 63.200 -0.116 0.000 0.987 454 S HN 0.423 nan 8.310 nan 0.000 0.482 455 Y N 0.932 121.207 120.300 -0.042 0.000 2.679 455 Y HA 0.553 5.102 4.550 -0.001 0.000 0.331 455 Y C 0.537 176.424 175.900 -0.022 0.000 1.183 455 Y CA -0.993 57.097 58.100 -0.016 0.000 1.290 455 Y CB 0.678 39.141 38.460 0.005 0.000 1.489 455 Y HN 0.413 nan 8.280 nan 0.000 0.583 456 D N -1.459 119.066 120.400 0.209 0.000 2.342 456 D HA 0.275 4.915 4.640 -0.001 0.000 0.243 456 D C 0.149 176.526 176.300 0.129 0.000 1.019 456 D CA -0.272 53.802 54.000 0.122 0.000 0.864 456 D CB 2.214 43.083 40.800 0.115 0.000 1.315 456 D HN 0.432 nan 8.370 nan 0.000 0.468 457 S N 0.990 116.754 115.700 0.108 0.000 2.447 457 S HA -0.040 4.430 4.470 -0.001 0.000 0.233 457 S C 0.583 175.255 174.600 0.121 0.000 1.006 457 S CA 0.561 58.825 58.200 0.107 0.000 0.957 457 S CB 0.050 63.307 63.200 0.095 0.000 0.773 457 S HN 0.290 nan 8.310 nan 0.000 0.507 458 K N 2.311 122.789 120.400 0.131 0.000 2.383 458 K HA 0.155 4.474 4.320 -0.001 0.000 0.286 458 K C 0.558 177.239 176.600 0.135 0.000 1.051 458 K CA 0.110 56.483 56.287 0.143 0.000 0.974 458 K CB 0.629 33.218 32.500 0.148 0.000 0.968 458 K HN 0.222 nan 8.250 nan 0.000 0.475 459 K N 0.464 120.946 120.400 0.137 0.000 2.296 459 K HA -0.039 4.280 4.320 -0.001 0.000 0.200 459 K C 0.827 177.490 176.600 0.106 0.000 1.048 459 K CA 0.553 56.910 56.287 0.117 0.000 0.966 459 K CB 0.298 32.874 32.500 0.127 0.000 0.754 459 K HN 0.369 nan 8.250 nan 0.000 0.466 460 S N -0.812 114.952 115.700 0.106 0.000 2.532 460 S HA 0.463 4.933 4.470 -0.001 0.000 0.299 460 S C 0.185 174.838 174.600 0.090 0.000 1.105 460 S CA -0.095 58.155 58.200 0.084 0.000 1.018 460 S CB 1.481 64.715 63.200 0.058 0.000 1.021 460 S HN 0.463 nan 8.310 nan 0.000 0.483 461 G N 3.228 112.086 108.800 0.096 0.000 2.225 461 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.267 461 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.267 461 G C 0.548 175.551 174.900 0.171 0.000 1.024 461 G CA 0.125 45.296 45.100 0.117 0.000 0.784 461 G HN 1.208 nan 8.290 nan 0.000 0.507 462 G N -0.556 108.346 108.800 0.171 0.000 2.537 462 G HA2 0.660 4.620 3.960 -0.001 0.000 0.273 462 G HA3 0.660 4.620 3.960 -0.001 0.000 0.273 462 G C 0.498 175.536 174.900 0.230 0.000 1.189 462 G CA -0.331 44.884 45.100 0.191 0.000 0.881 462 G HN 1.412 nan 8.290 nan 0.000 0.535 463 I N -1.212 119.478 120.570 0.201 0.000 2.440 463 I HA 0.671 4.840 4.170 -0.001 0.000 0.294 463 I C -0.479 175.657 176.117 0.031 0.000 0.995 463 I CA -0.419 60.989 61.300 0.179 0.000 1.306 463 I CB 2.021 40.011 38.000 -0.016 0.000 1.407 463 I HN 0.237 nan 8.210 nan 0.000 0.501 464 T N 7.194 121.760 114.554 0.020 0.000 2.841 464 T HA 0.640 4.990 4.350 -0.001 0.000 0.283 464 T C -0.350 174.207 174.700 -0.238 0.000 1.000 464 T CA -0.339 61.687 62.100 -0.123 0.000 0.977 464 T CB 1.546 70.363 68.868 -0.085 0.000 0.979 464 T HN 0.477 nan 8.240 nan 0.000 0.446 465 I N 2.309 122.677 120.570 -0.337 0.000 2.439 465 I HA 0.324 4.493 4.170 -0.001 0.000 0.283 465 I C 0.035 176.034 176.117 -0.196 0.000 1.023 465 I CA -0.524 60.503 61.300 -0.454 0.000 1.100 465 I CB 1.826 39.391 38.000 -0.725 0.000 1.238 465 I HN 0.485 nan 8.210 nan 0.000 0.445 466 S N 4.156 119.792 115.700 -0.106 0.000 2.554 466 S HA 0.485 4.955 4.470 -0.001 0.000 0.278 466 S C -0.735 173.783 174.600 -0.137 0.000 1.242 466 S CA -0.499 57.693 58.200 -0.014 0.000 1.051 466 S CB 0.549 63.865 63.200 0.193 0.000 0.986 466 S HN 0.431 nan 8.310 nan 0.000 0.502 467 H N 1.608 120.545 119.070 -0.222 0.000 2.860 467 H HA 0.508 5.063 4.556 -0.001 0.000 0.312 467 H C -0.708 174.514 175.328 -0.177 0.000 0.995 467 H CA -0.385 55.589 56.048 -0.124 0.000 1.311 467 H CB 0.443 30.146 29.762 -0.098 0.000 1.478 467 H HN 0.330 nan 8.280 nan 0.000 0.508 468 L N 2.929 124.158 121.223 0.009 0.000 2.342 468 L HA 0.685 5.024 4.340 -0.001 0.000 0.271 468 L C -0.002 176.745 176.870 -0.205 0.000 1.008 468 L CA -0.918 53.841 54.840 -0.135 0.000 0.818 468 L CB 2.175 44.231 42.059 -0.005 0.000 1.296 468 L HN 0.439 nan 8.230 nan 0.000 0.427 469 R N 1.992 122.207 120.500 -0.476 0.000 2.673 469 R HA 0.701 5.040 4.340 -0.001 0.000 0.281 469 R C -1.761 174.147 176.300 -0.654 0.000 0.991 469 R CA -0.670 55.222 56.100 -0.346 0.000 0.896 469 R CB 2.606 32.791 30.300 -0.193 0.000 1.201 469 R HN 0.351 nan 8.270 nan 0.000 0.457 470 F N -0.088 119.920 119.950 0.096 0.000 2.569 470 F HA 0.732 5.258 4.527 -0.001 0.000 0.312 470 F C 0.555 176.422 175.800 0.112 0.000 1.109 470 F CA -0.609 57.459 58.000 0.114 0.000 0.919 470 F CB 2.859 41.925 39.000 0.111 0.000 1.211 470 F HN 0.661 nan 8.300 nan 0.000 0.446 471 G N 1.383 110.371 108.800 0.313 0.000 2.559 471 G HA2 0.370 4.330 3.960 -0.001 0.000 0.291 471 G HA3 0.370 4.330 3.960 -0.001 0.000 0.291 471 G C -0.584 174.512 174.900 0.328 0.000 1.424 471 G CA -0.717 44.530 45.100 0.245 0.000 0.786 471 G HN 0.578 nan 8.290 nan 0.000 0.485 472 E N -0.550 119.800 120.200 0.249 0.000 2.385 472 E HA 0.075 4.424 4.350 -0.001 0.000 0.194 472 E C 0.328 177.127 176.600 0.331 0.000 1.013 472 E CA 0.472 57.044 56.400 0.287 0.000 0.866 472 E CB 0.254 30.053 29.700 0.165 0.000 0.832 472 E HN 0.071 nan 8.360 nan 0.000 0.500 473 K N 1.168 121.627 120.400 0.099 0.000 2.166 473 K HA 0.390 4.710 4.320 -0.001 0.000 0.245 473 K C -2.618 173.566 176.600 -0.692 0.000 0.967 473 K CA -2.786 53.388 56.287 -0.188 0.000 0.863 473 K CB 0.703 33.142 32.500 -0.102 0.000 1.107 473 K HN -0.239 nan 8.250 nan 0.000 0.436 474 P HA 0.049 nan 4.420 nan 0.000 0.265 474 P C -0.380 176.643 177.300 -0.461 0.000 1.187 474 P CA 0.405 62.868 63.100 -1.062 0.000 0.766 474 P CB 0.278 31.629 31.700 -0.582 0.000 0.820 475 I N 3.656 124.049 120.570 -0.296 0.000 2.307 475 I HA 0.128 4.297 4.170 -0.001 0.000 0.287 475 I C 1.186 177.245 176.117 -0.097 0.000 1.054 475 I CA 0.146 61.361 61.300 -0.142 0.000 1.218 475 I CB 0.511 38.459 38.000 -0.088 0.000 1.398 475 I HN 0.302 nan 8.210 nan 0.000 0.475 476 Q N 3.009 122.765 119.800 -0.074 0.000 2.220 476 Q HA 0.157 4.497 4.340 -0.001 0.000 0.205 476 Q C 0.290 176.284 176.000 -0.011 0.000 0.865 476 Q CA -0.091 55.701 55.803 -0.018 0.000 0.960 476 Q CB 0.453 29.200 28.738 0.016 0.000 1.097 476 Q HN 0.564 nan 8.270 nan 0.000 0.493 477 S N 2.351 117.971 115.700 -0.134 0.000 3.829 477 S HA 0.004 4.474 4.470 -0.001 0.000 0.250 477 S C 0.643 174.986 174.600 -0.429 0.000 1.263 477 S CA -0.033 57.922 58.200 -0.409 0.000 0.955 477 S CB -0.384 62.379 63.200 -0.728 0.000 1.611 477 S HN 0.301 nan 8.310 nan 0.000 0.483 478 T N 1.308 115.818 114.554 -0.074 0.000 4.309 478 T HA 0.388 4.737 4.350 -0.001 0.000 0.242 478 T C -0.257 174.468 174.700 0.043 0.000 1.142 478 T CA -0.574 61.506 62.100 -0.034 0.000 1.042 478 T CB -1.194 67.728 68.868 0.091 0.000 1.366 478 T HN 0.567 nan 8.240 nan 0.000 0.942 479 Y N -1.489 118.723 120.300 -0.146 0.000 2.656 479 Y HA 0.635 5.185 4.550 -0.001 0.000 0.334 479 Y C -0.977 174.787 175.900 -0.227 0.000 1.179 479 Y CA -2.160 55.835 58.100 -0.174 0.000 1.050 479 Y CB 0.672 39.074 38.460 -0.096 0.000 1.308 479 Y HN 0.056 nan 8.280 nan 0.000 0.456 480 L N 1.886 123.055 121.223 -0.091 0.000 2.476 480 L HA 0.351 4.691 4.340 -0.001 0.000 0.264 480 L C -0.066 176.844 176.870 0.066 0.000 1.224 480 L CA -1.126 53.574 54.840 -0.233 0.000 0.821 480 L CB 0.421 42.287 42.059 -0.322 0.000 1.101 480 L HN 0.523 nan 8.230 nan 0.000 0.488 481 V N 1.642 121.710 119.914 0.257 0.000 2.508 481 V HA 0.006 4.126 4.120 -0.001 0.000 0.281 481 V C 0.550 176.773 176.094 0.215 0.000 1.041 481 V CA 0.015 62.444 62.300 0.215 0.000 1.016 481 V CB 0.953 32.887 31.823 0.185 0.000 0.984 481 V HN 0.974 nan 8.190 nan 0.000 0.478 482 N N 3.312 122.114 118.700 0.170 0.000 2.166 482 N HA 0.121 4.860 4.740 -0.001 0.000 0.213 482 N C 0.375 175.933 175.510 0.079 0.000 1.222 482 N CA -0.227 52.896 53.050 0.121 0.000 0.900 482 N CB 0.513 39.062 38.487 0.104 0.000 1.055 482 N HN 0.570 nan 8.380 nan 0.000 0.515 483 R N 0.638 121.184 120.500 0.077 0.000 2.629 483 R HA 0.545 4.884 4.340 -0.001 0.000 0.275 483 R C -1.141 175.192 176.300 0.056 0.000 1.719 483 R CA -0.431 55.700 56.100 0.051 0.000 1.472 483 R CB 1.431 31.754 30.300 0.038 0.000 1.237 483 R HN 0.181 nan 8.270 nan 0.000 0.589 484 A N 0.918 123.768 122.820 0.049 0.000 2.340 484 A HA 0.196 4.515 4.320 -0.001 0.000 0.268 484 A C 0.426 178.054 177.584 0.074 0.000 1.100 484 A CA -0.430 51.640 52.037 0.055 0.000 0.803 484 A CB 0.471 19.486 19.000 0.026 0.000 1.043 484 A HN 0.560 nan 8.150 nan 0.000 0.488 485 D N -0.582 119.886 120.400 0.114 0.000 2.240 485 D HA 0.016 4.656 4.640 -0.001 0.000 0.206 485 D C -0.561 175.861 176.300 0.204 0.000 0.963 485 D CA 1.568 55.655 54.000 0.145 0.000 0.863 485 D CB 0.235 41.127 40.800 0.154 0.000 0.973 485 D HN 0.591 nan 8.370 nan 0.000 0.501 486 Y N 1.137 121.466 120.300 0.049 0.000 2.361 486 Y HA 0.391 4.940 4.550 -0.001 0.000 0.337 486 Y C -1.345 174.534 175.900 -0.035 0.000 0.965 486 Y CA -0.690 57.435 58.100 0.043 0.000 1.091 486 Y CB 1.538 40.029 38.460 0.052 0.000 1.182 486 Y HN -0.399 nan 8.280 nan 0.000 0.450 487 V N 5.664 125.335 119.914 -0.406 0.000 2.531 487 V HA 0.832 4.951 4.120 -0.001 0.000 0.301 487 V C -0.713 175.215 176.094 -0.276 0.000 1.034 487 V CA -0.577 61.563 62.300 -0.267 0.000 0.865 487 V CB 1.448 33.197 31.823 -0.124 0.000 0.995 487 V HN 0.913 nan 8.190 nan 0.000 0.424 488 A N 3.425 126.158 122.820 -0.145 0.000 2.330 488 A HA 0.648 4.967 4.320 -0.001 0.000 0.313 488 A C -0.502 177.318 177.584 0.393 0.000 1.124 488 A CA -0.421 51.719 52.037 0.171 0.000 0.774 488 A CB 1.321 20.581 19.000 0.434 0.000 1.198 488 A HN 0.984 nan 8.150 nan 0.000 0.465 489 C N 3.887 123.484 119.300 0.495 0.000 2.250 489 C HA 0.472 4.931 4.460 -0.001 0.000 0.319 489 C C 0.967 176.238 174.990 0.468 0.000 1.124 489 C CA -0.405 58.897 59.018 0.473 0.000 1.527 489 C CB -1.788 26.200 27.740 0.413 0.000 2.001 489 C HN 1.001 nan 8.230 nan 0.000 0.435 490 H N 2.394 121.643 119.070 0.298 0.000 2.559 490 H HA 0.032 4.588 4.556 -0.001 0.000 0.273 490 H C 0.346 175.688 175.328 0.023 0.000 1.000 490 H CA 0.233 56.379 56.048 0.164 0.000 1.195 490 H CB 0.299 30.184 29.762 0.204 0.000 1.368 490 H HN 0.572 nan 8.280 nan 0.000 0.592 491 N N 0.612 119.349 118.700 0.062 0.000 2.504 491 N HA 0.070 4.810 4.740 -0.001 0.000 0.280 491 N C -1.978 173.374 175.510 -0.264 0.000 1.052 491 N CA -2.502 50.390 53.050 -0.262 0.000 0.887 491 N CB 1.716 39.760 38.487 -0.739 0.000 1.323 491 N HN -0.141 nan 8.380 nan 0.000 0.509 492 P HA -0.108 nan 4.420 nan 0.000 0.221 492 P C 0.802 178.090 177.300 -0.019 0.000 1.145 492 P CA 0.762 63.727 63.100 -0.226 0.000 0.795 492 P CB 0.282 31.659 31.700 -0.537 0.000 0.775 493 A N -0.866 121.900 122.820 -0.091 0.000 2.070 493 A HA -0.162 4.157 4.320 -0.001 0.000 0.220 493 A C 2.186 179.842 177.584 0.120 0.000 1.159 493 A CA 0.898 52.945 52.037 0.016 0.000 0.656 493 A CB -1.688 17.292 19.000 -0.033 0.000 0.800 493 A HN 0.230 nan 8.150 nan 0.000 0.453 494 Y N -1.002 119.330 120.300 0.054 0.000 2.263 494 Y HA -0.161 4.388 4.550 -0.001 0.000 0.292 494 Y C 2.510 178.372 175.900 -0.063 0.000 1.130 494 Y CA 0.358 58.458 58.100 -0.000 0.000 1.179 494 Y CB -0.248 38.300 38.460 0.147 0.000 0.998 494 Y HN 0.116 nan 8.280 nan 0.000 0.532 495 V N 0.171 120.201 119.914 0.193 0.000 2.252 495 V HA -0.388 3.732 4.120 -0.001 0.000 0.255 495 V C 2.321 178.447 176.094 0.052 0.000 1.071 495 V CA 2.294 64.684 62.300 0.150 0.000 1.050 495 V CB -1.211 30.810 31.823 0.331 0.000 0.654 495 V HN 0.628 nan 8.190 nan 0.000 0.448 496 G N -1.331 107.502 108.800 0.055 0.000 2.880 496 G HA2 0.049 4.009 3.960 -0.001 0.000 0.209 496 G HA3 0.049 4.009 3.960 -0.001 0.000 0.209 496 G C 1.321 176.178 174.900 -0.072 0.000 1.157 496 G CA 0.670 45.761 45.100 -0.015 0.000 0.779 496 G HN 0.689 nan 8.290 nan 0.000 0.539 497 I N -4.262 116.222 120.570 -0.145 0.000 4.032 497 I HA 0.477 4.647 4.170 -0.001 0.000 0.313 497 I C -0.043 175.894 176.117 -0.299 0.000 1.272 497 I CA -0.523 60.607 61.300 -0.283 0.000 1.307 497 I CB 0.575 38.297 38.000 -0.463 0.000 1.155 497 I HN -0.047 nan 8.210 nan 0.000 0.431 498 Y N 1.301 121.557 120.300 -0.073 0.000 2.509 498 Y HA 0.379 4.928 4.550 -0.001 0.000 0.341 498 Y C -0.398 175.343 175.900 -0.265 0.000 1.038 498 Y CA -1.217 56.787 58.100 -0.160 0.000 1.089 498 Y CB 1.258 39.556 38.460 -0.269 0.000 1.241 498 Y HN -0.094 nan 8.280 nan 0.000 0.468 499 D N 3.090 123.488 120.400 -0.003 0.000 2.688 499 D HA 0.032 4.672 4.640 -0.001 0.000 0.228 499 D C 1.079 177.245 176.300 -0.223 0.000 1.116 499 D CA 0.078 54.021 54.000 -0.095 0.000 1.023 499 D CB -0.313 40.482 40.800 -0.008 0.000 1.100 499 D HN 0.601 nan 8.370 nan 0.000 0.487 500 I N -1.702 118.564 120.570 -0.507 0.000 2.361 500 I HA -0.149 4.021 4.170 -0.001 0.000 0.251 500 I C 1.215 177.056 176.117 -0.459 0.000 1.133 500 I CA 0.879 61.705 61.300 -0.790 0.000 1.413 500 I CB -0.159 37.230 38.000 -1.019 0.000 1.073 500 I HN 0.128 nan 8.210 nan 0.000 0.424 501 L N 1.507 122.481 121.223 -0.416 0.000 2.653 501 L HA 0.228 4.568 4.340 -0.001 0.000 0.231 501 L C 0.925 177.685 176.870 -0.183 0.000 1.153 501 L CA -0.135 54.481 54.840 -0.374 0.000 0.933 501 L CB -0.458 41.323 42.059 -0.463 0.000 1.175 501 L HN 0.317 nan 8.230 nan 0.000 0.473 502 E N 1.137 121.273 120.200 -0.106 0.000 2.558 502 E HA 0.012 4.362 4.350 -0.001 0.000 0.255 502 E C 1.318 177.910 176.600 -0.014 0.000 0.968 502 E CA 0.790 57.167 56.400 -0.038 0.000 0.939 502 E CB 0.359 30.068 29.700 0.016 0.000 0.921 502 E HN 0.371 nan 8.360 nan 0.000 0.477 503 G N 4.393 113.184 108.800 -0.015 0.000 2.196 503 G HA2 -0.352 3.607 3.960 -0.001 0.000 0.268 503 G HA3 -0.352 3.607 3.960 -0.001 0.000 0.268 503 G C 0.479 175.378 174.900 -0.001 0.000 0.975 503 G CA 0.348 45.448 45.100 0.001 0.000 0.648 503 G HN 0.723 nan 8.290 nan 0.000 0.538 504 I N 1.169 121.725 120.570 -0.023 0.000 2.845 504 I HA 0.197 4.367 4.170 -0.001 0.000 0.296 504 I C 1.007 177.129 176.117 0.008 0.000 1.216 504 I CA -0.027 61.264 61.300 -0.014 0.000 1.438 504 I CB 0.275 38.239 38.000 -0.059 0.000 1.342 504 I HN 0.187 nan 8.210 nan 0.000 0.577 505 K N 5.542 125.961 120.400 0.033 0.000 2.230 505 K HA 0.092 4.411 4.320 -0.001 0.000 0.253 505 K C -0.464 176.168 176.600 0.054 0.000 1.008 505 K CA -0.603 55.710 56.287 0.042 0.000 0.910 505 K CB 0.208 32.741 32.500 0.054 0.000 0.994 505 K HN 0.531 nan 8.250 nan 0.000 0.495 506 D N 0.241 120.673 120.400 0.053 0.000 2.424 506 D HA 0.086 4.726 4.640 -0.001 0.000 0.244 506 D C 1.093 177.445 176.300 0.087 0.000 1.134 506 D CA 1.080 55.119 54.000 0.065 0.000 0.881 506 D CB 0.791 41.625 40.800 0.055 0.000 1.191 506 D HN 0.742 nan 8.370 nan 0.000 0.445 507 G N 1.747 110.613 108.800 0.110 0.000 2.166 507 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.260 507 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.260 507 G C 0.796 175.790 174.900 0.157 0.000 0.986 507 G CA 0.239 45.420 45.100 0.135 0.000 0.683 507 G HN 0.799 nan 8.290 nan 0.000 0.527 508 G N -1.006 107.882 108.800 0.147 0.000 2.636 508 G HA2 0.506 4.466 3.960 -0.001 0.000 0.246 508 G HA3 0.506 4.466 3.960 -0.001 0.000 0.246 508 G C 0.096 175.131 174.900 0.226 0.000 1.216 508 G CA 0.666 45.863 45.100 0.161 0.000 0.854 508 G HN 0.573 nan 8.290 nan 0.000 0.572 509 T N 0.960 115.659 114.554 0.241 0.000 2.767 509 T HA 0.387 4.736 4.350 -0.001 0.000 0.284 509 T C -1.184 173.660 174.700 0.241 0.000 0.973 509 T CA -0.065 62.217 62.100 0.303 0.000 0.996 509 T CB 0.936 69.993 68.868 0.315 0.000 0.927 509 T HN 0.336 nan 8.240 nan 0.000 0.456 510 F N 5.159 125.222 119.950 0.188 0.000 2.427 510 F HA 0.625 5.152 4.527 -0.001 0.000 0.348 510 F C -1.048 174.909 175.800 0.262 0.000 1.125 510 F CA -1.759 56.323 58.000 0.136 0.000 0.989 510 F CB 0.617 39.733 39.000 0.194 0.000 1.165 510 F HN 0.243 nan 8.300 nan 0.000 0.442 511 V N 7.309 127.240 119.914 0.028 0.000 2.472 511 V HA 0.543 4.663 4.120 -0.001 0.000 0.290 511 V C -0.807 175.145 176.094 -0.235 0.000 1.037 511 V CA -0.750 61.479 62.300 -0.117 0.000 0.908 511 V CB 1.507 33.339 31.823 0.015 0.000 0.985 511 V HN 0.679 nan 8.190 nan 0.000 0.454 512 L N 4.345 125.378 121.223 -0.316 0.000 2.408 512 L HA 0.531 4.871 4.340 -0.001 0.000 0.268 512 L C -0.373 176.392 176.870 -0.175 0.000 0.986 512 L CA -0.233 54.475 54.840 -0.219 0.000 0.820 512 L CB 1.972 43.869 42.059 -0.270 0.000 1.303 512 L HN 0.744 nan 8.230 nan 0.000 0.411 513 N N 3.259 121.884 118.700 -0.125 0.000 2.439 513 N HA 0.595 5.334 4.740 -0.001 0.000 0.249 513 N C -1.204 174.098 175.510 -0.347 0.000 1.003 513 N CA 0.171 53.113 53.050 -0.181 0.000 0.942 513 N CB 0.662 39.080 38.487 -0.114 0.000 1.115 513 N HN 0.813 nan 8.380 nan 0.000 0.505 514 S N 2.978 118.415 115.700 -0.439 0.000 2.578 514 S HA 0.397 4.867 4.470 -0.001 0.000 0.272 514 S C -2.870 171.396 174.600 -0.557 0.000 1.145 514 S CA -0.841 56.892 58.200 -0.777 0.000 0.835 514 S CB 2.187 64.508 63.200 -1.465 0.000 1.104 514 S HN 0.435 nan 8.310 nan 0.000 0.458 515 P HA 0.284 nan 4.420 nan 0.000 0.258 515 P C -0.520 176.781 177.300 0.001 0.000 1.416 515 P CA -0.008 62.961 63.100 -0.219 0.000 0.927 515 P CB -0.259 31.356 31.700 -0.142 0.000 1.444 516 W N 1.057 122.314 121.300 -0.073 0.000 1.496 516 W HA 0.278 4.937 4.660 -0.001 0.000 0.422 516 W C 0.965 177.514 176.519 0.049 0.000 0.638 516 W CA -0.722 56.612 57.345 -0.018 0.000 2.105 516 W CB -1.280 28.163 29.460 -0.028 0.000 1.639 516 W HN 0.002 nan 8.180 nan 0.000 0.304 517 S N 0.842 116.686 115.700 0.240 0.000 2.368 517 S HA -0.128 4.341 4.470 -0.001 0.000 0.224 517 S C 1.320 176.108 174.600 0.314 0.000 1.029 517 S CA 1.169 59.505 58.200 0.226 0.000 0.988 517 S CB -0.171 63.111 63.200 0.137 0.000 0.838 517 S HN 0.404 nan 8.310 nan 0.000 0.462 518 S N 2.145 118.005 115.700 0.267 0.000 2.548 518 S HA 0.242 4.711 4.470 -0.001 0.000 0.277 518 S C 0.886 175.685 174.600 0.330 0.000 1.315 518 S CA -0.683 57.662 58.200 0.242 0.000 1.050 518 S CB 0.914 64.215 63.200 0.170 0.000 0.918 518 S HN 0.182 nan 8.310 nan 0.000 0.497 519 L N 2.759 124.163 121.223 0.302 0.000 2.189 519 L HA -0.152 4.187 4.340 -0.001 0.000 0.214 519 L C 2.373 179.434 176.870 0.319 0.000 1.097 519 L CA 2.458 57.524 54.840 0.377 0.000 0.764 519 L CB -1.038 41.133 42.059 0.186 0.000 0.900 519 L HN 0.999 nan 8.230 nan 0.000 0.436 520 E N -2.189 118.139 120.200 0.213 0.000 2.112 520 E HA -0.182 4.168 4.350 -0.001 0.000 0.190 520 E C 1.528 178.213 176.600 0.142 0.000 0.979 520 E CA 1.019 57.511 56.400 0.155 0.000 0.814 520 E CB -0.465 29.297 29.700 0.104 0.000 0.762 520 E HN 0.434 nan 8.360 nan 0.000 0.460 521 D N 0.742 121.254 120.400 0.185 0.000 2.078 521 D HA -0.164 4.476 4.640 -0.001 0.000 0.193 521 D C 1.926 178.305 176.300 0.131 0.000 0.990 521 D CA 1.438 55.551 54.000 0.189 0.000 0.827 521 D CB -0.276 40.688 40.800 0.273 0.000 0.975 521 D HN 0.168 nan 8.370 nan 0.000 0.451 522 M N 1.258 121.006 119.600 0.246 0.000 2.073 522 M HA -0.184 4.296 4.480 -0.001 0.000 0.258 522 M C 1.319 177.663 176.300 0.073 0.000 1.070 522 M CA 1.617 57.049 55.300 0.220 0.000 1.103 522 M CB -0.505 32.351 32.600 0.427 0.000 1.321 522 M HN -0.173 nan 8.290 nan 0.000 0.405 523 D N -0.154 120.361 120.400 0.192 0.000 2.158 523 D HA -0.219 4.420 4.640 -0.001 0.000 0.197 523 D C 1.953 178.190 176.300 -0.104 0.000 0.995 523 D CA 1.396 55.442 54.000 0.076 0.000 0.846 523 D CB -0.355 40.553 40.800 0.179 0.000 0.941 523 D HN 0.509 nan 8.370 nan 0.000 0.456 524 K N -0.447 119.872 120.400 -0.136 0.000 2.025 524 K HA -0.145 4.174 4.320 -0.001 0.000 0.207 524 K C 1.705 177.981 176.600 -0.539 0.000 1.049 524 K CA 1.191 57.294 56.287 -0.308 0.000 0.933 524 K CB 0.069 32.376 32.500 -0.321 0.000 0.714 524 K HN 0.226 nan 8.250 nan 0.000 0.438 525 H N -0.528 118.175 119.070 -0.612 0.000 2.439 525 H HA 0.099 4.655 4.556 -0.001 0.000 0.299 525 H C -0.217 174.714 175.328 -0.662 0.000 1.033 525 H CA -0.130 55.407 56.048 -0.851 0.000 1.348 525 H CB 0.110 28.730 29.762 -1.903 0.000 1.449 525 H HN 0.028 nan 8.280 nan 0.000 0.544 526 L N 3.674 124.621 121.223 -0.460 0.000 2.534 526 L HA 0.156 4.496 4.340 -0.001 0.000 0.271 526 L C -2.321 174.377 176.870 -0.287 0.000 1.178 526 L CA -1.976 52.709 54.840 -0.258 0.000 0.907 526 L CB 0.279 42.216 42.059 -0.202 0.000 1.164 526 L HN -0.027 nan 8.230 nan 0.000 0.482 527 P HA 0.120 nan 4.420 nan 0.000 0.271 527 P C 0.388 177.520 177.300 -0.280 0.000 1.244 527 P CA 0.067 63.038 63.100 -0.215 0.000 0.793 527 P CB 0.562 32.172 31.700 -0.150 0.000 0.984 528 S N -0.144 115.414 115.700 -0.236 0.000 2.355 528 S HA -0.100 4.370 4.470 -0.001 0.000 0.222 528 S C 2.228 176.693 174.600 -0.224 0.000 1.031 528 S CA 1.372 59.423 58.200 -0.248 0.000 0.993 528 S CB -1.925 61.172 63.200 -0.170 0.000 0.859 528 S HN 0.529 nan 8.310 nan 0.000 0.453 529 G N 2.582 111.280 108.800 -0.170 0.000 2.505 529 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.220 529 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.220 529 G C 1.417 176.209 174.900 -0.179 0.000 1.145 529 G CA 1.235 46.247 45.100 -0.146 0.000 0.761 529 G HN 0.492 nan 8.290 nan 0.000 0.571 530 I N 0.869 121.306 120.570 -0.221 0.000 2.202 530 I HA -0.103 4.067 4.170 -0.001 0.000 0.242 530 I C 2.676 178.607 176.117 -0.310 0.000 1.091 530 I CA 1.339 62.485 61.300 -0.256 0.000 1.368 530 I CB -0.996 36.859 38.000 -0.243 0.000 1.058 530 I HN 0.245 nan 8.210 nan 0.000 0.410 531 K N 0.484 120.617 120.400 -0.445 0.000 2.032 531 K HA -0.178 4.142 4.320 -0.001 0.000 0.209 531 K C 2.256 178.756 176.600 -0.167 0.000 1.048 531 K CA 1.401 57.351 56.287 -0.562 0.000 0.927 531 K CB -0.223 31.657 32.500 -1.033 0.000 0.712 531 K HN 0.263 nan 8.250 nan 0.000 0.441 532 R N 0.246 120.659 120.500 -0.146 0.000 2.091 532 R HA -0.099 4.240 4.340 -0.001 0.000 0.238 532 R C 2.435 178.712 176.300 -0.039 0.000 1.136 532 R CA 1.807 57.880 56.100 -0.045 0.000 0.959 532 R CB -0.449 29.817 30.300 -0.056 0.000 0.856 532 R HN 0.237 nan 8.270 nan 0.000 0.437 533 T N 1.274 115.774 114.554 -0.091 0.000 2.708 533 T HA -0.090 4.260 4.350 -0.001 0.000 0.266 533 T C 1.914 176.570 174.700 -0.074 0.000 1.037 533 T CA 1.173 63.221 62.100 -0.086 0.000 1.146 533 T CB -0.151 68.637 68.868 -0.133 0.000 0.865 533 T HN 0.138 nan 8.240 nan 0.000 0.435 534 I N 1.281 121.778 120.570 -0.122 0.000 2.163 534 I HA -0.229 3.940 4.170 -0.001 0.000 0.243 534 I C 2.919 178.956 176.117 -0.134 0.000 1.085 534 I CA 1.259 62.466 61.300 -0.155 0.000 1.347 534 I CB -0.541 37.279 38.000 -0.300 0.000 1.044 534 I HN 0.216 nan 8.210 nan 0.000 0.408 535 A N 1.139 123.925 122.820 -0.057 0.000 1.835 535 A HA -0.263 4.057 4.320 -0.001 0.000 0.215 535 A C 2.002 179.675 177.584 0.149 0.000 1.199 535 A CA 2.393 54.510 52.037 0.133 0.000 0.615 535 A CB -1.210 17.939 19.000 0.249 0.000 0.838 535 A HN 0.463 nan 8.150 nan 0.000 0.444 536 N N -0.394 118.361 118.700 0.091 0.000 2.348 536 N HA -0.117 4.623 4.740 -0.001 0.000 0.185 536 N C 1.007 176.559 175.510 0.071 0.000 1.019 536 N CA 1.267 54.361 53.050 0.074 0.000 0.880 536 N CB -0.069 38.444 38.487 0.042 0.000 0.965 536 N HN 0.496 nan 8.380 nan 0.000 0.437 537 K N 0.345 120.788 120.400 0.072 0.000 2.399 537 K HA 0.148 4.468 4.320 -0.001 0.000 0.204 537 K C -0.400 176.272 176.600 0.119 0.000 1.023 537 K CA -0.101 56.231 56.287 0.075 0.000 1.127 537 K CB 0.761 33.290 32.500 0.048 0.000 0.856 537 K HN -0.100 nan 8.250 nan 0.000 0.514 538 K N 1.436 121.936 120.400 0.167 0.000 3.311 538 K HA -0.186 4.134 4.320 -0.001 0.000 0.270 538 K C -0.527 176.223 176.600 0.250 0.000 0.927 538 K CA 0.477 56.905 56.287 0.234 0.000 0.706 538 K CB -1.698 30.898 32.500 0.160 0.000 1.418 538 K HN 0.262 nan 8.250 nan 0.000 0.459 539 L N 0.671 122.050 121.223 0.260 0.000 2.397 539 L HA 0.111 4.451 4.340 -0.001 0.000 0.271 539 L C 0.817 177.925 176.870 0.396 0.000 1.148 539 L CA -0.317 54.690 54.840 0.278 0.000 0.825 539 L CB 0.589 42.788 42.059 0.233 0.000 1.117 539 L HN 0.135 nan 8.230 nan 0.000 0.456 540 K N 3.504 124.135 120.400 0.384 0.000 2.167 540 K HA 0.147 4.467 4.320 -0.001 0.000 0.275 540 K C -0.644 176.283 176.600 0.545 0.000 1.103 540 K CA -0.147 56.387 56.287 0.412 0.000 0.963 540 K CB -0.028 32.760 32.500 0.480 0.000 1.243 540 K HN 0.225 nan 8.250 nan 0.000 0.407 541 F N 3.696 123.821 119.950 0.292 0.000 2.424 541 F HA 0.242 4.769 4.527 -0.001 0.000 0.356 541 F C -0.891 174.966 175.800 0.095 0.000 1.110 541 F CA -1.041 57.112 58.000 0.256 0.000 1.161 541 F CB 0.271 39.443 39.000 0.287 0.000 1.115 541 F HN 0.283 nan 8.300 nan 0.000 0.507 542 Y N 4.844 124.924 120.300 -0.366 0.000 2.409 542 Y HA 0.361 4.910 4.550 -0.001 0.000 0.343 542 Y C 0.079 175.537 175.900 -0.737 0.000 0.973 542 Y CA -1.105 56.751 58.100 -0.408 0.000 1.064 542 Y CB 1.423 39.812 38.460 -0.117 0.000 1.207 542 Y HN 0.561 nan 8.280 nan 0.000 0.452 543 N N 2.905 121.341 118.700 -0.441 0.000 2.272 543 N HA 0.628 5.367 4.740 -0.001 0.000 0.305 543 N C -1.854 173.567 175.510 -0.148 0.000 1.103 543 N CA -0.486 52.317 53.050 -0.412 0.000 0.791 543 N CB 2.120 40.312 38.487 -0.492 0.000 1.356 543 N HN 0.846 nan 8.380 nan 0.000 0.486 544 I N 1.542 122.029 120.570 -0.138 0.000 2.667 544 I HA 0.113 4.283 4.170 -0.001 0.000 0.288 544 I C -1.133 174.920 176.117 -0.106 0.000 1.267 544 I CA -0.587 60.669 61.300 -0.075 0.000 1.055 544 I CB 1.607 39.588 38.000 -0.032 0.000 1.294 544 I HN 0.439 nan 8.210 nan 0.000 0.429 545 D N 6.814 127.163 120.400 -0.085 0.000 2.597 545 D HA 0.190 4.829 4.640 -0.001 0.000 0.228 545 D C 1.229 177.480 176.300 -0.083 0.000 1.120 545 D CA 0.569 54.508 54.000 -0.103 0.000 1.083 545 D CB 0.991 41.751 40.800 -0.068 0.000 1.116 545 D HN 0.689 nan 8.370 nan 0.000 0.487 546 A N 2.124 124.886 122.820 -0.096 0.000 1.948 546 A HA -0.192 4.128 4.320 -0.001 0.000 0.220 546 A C 2.301 179.844 177.584 -0.068 0.000 1.177 546 A CA 1.224 53.214 52.037 -0.078 0.000 0.636 546 A CB -0.266 18.677 19.000 -0.095 0.000 0.815 546 A HN 0.436 nan 8.150 nan 0.000 0.449 547 V N -0.196 119.670 119.914 -0.079 0.000 2.515 547 V HA -0.224 3.895 4.120 -0.001 0.000 0.250 547 V C 2.461 178.527 176.094 -0.048 0.000 1.058 547 V CA 2.272 64.534 62.300 -0.063 0.000 1.064 547 V CB -0.592 31.187 31.823 -0.073 0.000 0.675 547 V HN 0.668 nan 8.190 nan 0.000 0.461 548 K N 0.022 120.394 120.400 -0.047 0.000 2.103 548 K HA -0.033 4.286 4.320 -0.001 0.000 0.204 548 K C 2.075 178.659 176.600 -0.027 0.000 1.052 548 K CA 1.189 57.457 56.287 -0.032 0.000 0.945 548 K CB -0.088 32.396 32.500 -0.027 0.000 0.722 548 K HN 0.414 nan 8.250 nan 0.000 0.443 549 I N 0.861 121.413 120.570 -0.029 0.000 2.202 549 I HA -0.207 3.962 4.170 -0.001 0.000 0.242 549 I C 2.494 178.593 176.117 -0.029 0.000 1.091 549 I CA 1.022 62.307 61.300 -0.025 0.000 1.368 549 I CB -0.449 37.538 38.000 -0.022 0.000 1.058 549 I HN 0.187 nan 8.210 nan 0.000 0.410 550 A N 0.850 123.650 122.820 -0.034 0.000 1.883 550 A HA -0.226 4.094 4.320 -0.001 0.000 0.217 550 A C 2.400 179.964 177.584 -0.033 0.000 1.186 550 A CA 2.665 54.681 52.037 -0.036 0.000 0.624 550 A CB -1.171 17.809 19.000 -0.035 0.000 0.822 550 A HN 0.408 nan 8.150 nan 0.000 0.444 551 T N 0.172 114.709 114.554 -0.029 0.000 2.708 551 T HA -0.124 4.226 4.350 -0.001 0.000 0.266 551 T C 1.528 176.213 174.700 -0.024 0.000 1.037 551 T CA 1.503 63.588 62.100 -0.025 0.000 1.146 551 T CB -0.477 68.379 68.868 -0.021 0.000 0.865 551 T HN 0.467 nan 8.240 nan 0.000 0.435 552 D N 1.162 121.548 120.400 -0.022 0.000 2.149 552 D HA -0.092 4.548 4.640 -0.001 0.000 0.198 552 D C 2.235 178.520 176.300 -0.024 0.000 0.990 552 D CA 1.162 55.150 54.000 -0.020 0.000 0.839 552 D CB -0.481 40.309 40.800 -0.016 0.000 0.948 552 D HN 0.458 nan 8.370 nan 0.000 0.460 553 V N -3.460 116.435 119.914 -0.031 0.000 3.461 553 V HA 0.406 4.525 4.120 -0.001 0.000 0.267 553 V C 1.570 177.637 176.094 -0.045 0.000 1.186 553 V CA 0.944 63.221 62.300 -0.039 0.000 1.154 553 V CB -0.007 31.788 31.823 -0.047 0.000 0.802 553 V HN 0.260 nan 8.190 nan 0.000 0.474 554 G N 0.688 109.464 108.800 -0.040 0.000 2.179 554 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.220 554 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.220 554 G C 0.440 175.313 174.900 -0.044 0.000 0.990 554 G CA 0.205 45.281 45.100 -0.040 0.000 0.646 554 G HN 0.508 nan 8.290 nan 0.000 0.517 555 L N 1.371 122.564 121.223 -0.050 0.000 2.711 555 L HA 0.323 4.662 4.340 -0.001 0.000 0.242 555 L C 1.980 178.830 176.870 -0.033 0.000 1.153 555 L CA 0.534 55.343 54.840 -0.051 0.000 0.898 555 L CB -0.660 41.364 42.059 -0.059 0.000 1.044 555 L HN 0.870 nan 8.230 nan 0.000 0.437 556 G N 0.720 109.503 108.800 -0.028 0.000 2.386 556 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.295 556 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.295 556 G C 1.085 175.973 174.900 -0.019 0.000 0.979 556 G CA 0.455 45.542 45.100 -0.021 0.000 1.193 556 G HN 0.701 nan 8.290 nan 0.000 0.508 557 G N -0.677 108.109 108.800 -0.023 0.000 2.196 557 G HA2 -0.366 3.594 3.960 -0.001 0.000 0.268 557 G HA3 -0.366 3.594 3.960 -0.001 0.000 0.268 557 G C 0.659 175.546 174.900 -0.022 0.000 0.975 557 G CA 1.275 46.360 45.100 -0.025 0.000 0.648 557 G HN 1.375 nan 8.290 nan 0.000 0.538 558 R N 1.018 121.508 120.500 -0.017 0.000 2.291 558 R HA 0.454 4.793 4.340 -0.001 0.000 0.333 558 R C 2.049 178.341 176.300 -0.012 0.000 1.082 558 R CA 0.134 56.230 56.100 -0.007 0.000 0.948 558 R CB -0.131 30.170 30.300 0.001 0.000 1.009 558 R HN 0.580 nan 8.270 nan 0.000 0.460 559 I N 1.645 122.207 120.570 -0.014 0.000 3.428 559 I HA -0.048 4.121 4.170 -0.001 0.000 0.286 559 I C 1.015 177.118 176.117 -0.023 0.000 1.287 559 I CA 0.426 61.708 61.300 -0.030 0.000 1.396 559 I CB -0.292 37.675 38.000 -0.056 0.000 1.062 559 I HN 0.609 nan 8.210 nan 0.000 0.471 560 N N 1.958 120.666 118.700 0.013 0.000 2.037 560 N HA -0.322 4.417 4.740 -0.001 0.000 0.196 560 N C 1.743 177.281 175.510 0.046 0.000 1.034 560 N CA 2.104 55.178 53.050 0.039 0.000 0.861 560 N CB -0.606 37.921 38.487 0.066 0.000 1.039 560 N HN 0.273 nan 8.380 nan 0.000 0.427 561 M N -0.240 119.385 119.600 0.041 0.000 2.159 561 M HA 0.048 4.528 4.480 -0.001 0.000 0.263 561 M C 1.467 177.788 176.300 0.036 0.000 1.063 561 M CA 1.208 56.533 55.300 0.043 0.000 1.110 561 M CB -0.395 32.207 32.600 0.003 0.000 1.374 561 M HN 0.262 nan 8.290 nan 0.000 0.411 562 I N -0.521 120.053 120.570 0.006 0.000 2.163 562 I HA -0.282 3.887 4.170 -0.001 0.000 0.240 562 I C 2.091 178.223 176.117 0.025 0.000 1.081 562 I CA 1.298 62.600 61.300 0.004 0.000 1.353 562 I CB -0.706 37.279 38.000 -0.024 0.000 1.054 562 I HN 0.245 nan 8.210 nan 0.000 0.407 563 M N -0.454 119.128 119.600 -0.030 0.000 2.279 563 M HA -0.194 4.285 4.480 -0.001 0.000 0.264 563 M C 2.276 178.684 176.300 0.181 0.000 1.062 563 M CA 1.435 56.710 55.300 -0.042 0.000 1.099 563 M CB -1.397 30.906 32.600 -0.496 0.000 1.394 563 M HN 0.304 nan 8.290 nan 0.000 0.426 564 Q N 0.351 120.263 119.800 0.185 0.000 2.046 564 Q HA -0.086 4.253 4.340 -0.001 0.000 0.200 564 Q C 1.858 178.115 176.000 0.429 0.000 0.975 564 Q CA 2.307 58.307 55.803 0.329 0.000 0.836 564 Q CB -0.420 28.474 28.738 0.261 0.000 0.896 564 Q HN 0.448 nan 8.270 nan 0.000 0.428 565 T N 0.490 115.188 114.554 0.240 0.000 2.746 565 T HA -0.136 4.214 4.350 -0.001 0.000 0.267 565 T C 1.710 176.511 174.700 0.168 0.000 1.039 565 T CA 1.350 63.552 62.100 0.170 0.000 1.142 565 T CB -0.649 68.256 68.868 0.060 0.000 0.866 565 T HN 0.490 nan 8.240 nan 0.000 0.444 566 A N 1.288 124.212 122.820 0.174 0.000 1.892 566 A HA -0.104 4.216 4.320 -0.001 0.000 0.218 566 A C 1.994 179.681 177.584 0.172 0.000 1.188 566 A CA 1.734 53.869 52.037 0.164 0.000 0.631 566 A CB -1.019 18.108 19.000 0.212 0.000 0.822 566 A HN 0.503 nan 8.150 nan 0.000 0.447 567 F N -0.261 119.767 119.950 0.129 0.000 2.026 567 F HA -0.164 4.363 4.527 -0.001 0.000 0.296 567 F C 1.924 177.568 175.800 -0.261 0.000 1.133 567 F CA 1.784 59.706 58.000 -0.130 0.000 1.188 567 F CB -0.830 38.164 39.000 -0.010 0.000 0.968 567 F HN 0.192 nan 8.300 nan 0.000 0.476 568 F N 0.866 120.557 119.950 -0.432 0.000 2.236 568 F HA -0.191 4.335 4.527 -0.001 0.000 0.302 568 F C 2.562 178.100 175.800 -0.437 0.000 1.073 568 F CA 2.022 59.712 58.000 -0.517 0.000 1.336 568 F CB -0.596 38.269 39.000 -0.225 0.000 1.040 568 F HN 0.048 nan 8.300 nan 0.000 0.507 569 K N -0.435 119.876 120.400 -0.149 0.000 2.099 569 K HA -0.040 4.280 4.320 -0.001 0.000 0.203 569 K C 1.547 178.084 176.600 -0.106 0.000 1.047 569 K CA 0.817 57.035 56.287 -0.116 0.000 0.963 569 K CB 0.067 32.551 32.500 -0.027 0.000 0.759 569 K HN 0.123 nan 8.250 nan 0.000 0.451 570 L N 0.348 121.471 121.223 -0.166 0.000 2.556 570 L HA 0.254 4.593 4.340 -0.001 0.000 0.226 570 L C 2.060 178.836 176.870 -0.157 0.000 1.089 570 L CA 0.795 55.557 54.840 -0.130 0.000 0.864 570 L CB -0.355 41.610 42.059 -0.158 0.000 1.067 570 L HN 0.117 nan 8.230 nan 0.000 0.477 571 A N 0.042 122.558 122.820 -0.506 0.000 1.978 571 A HA 0.129 4.449 4.320 -0.001 0.000 0.220 571 A C 1.838 179.268 177.584 -0.257 0.000 1.170 571 A CA 1.312 53.010 52.037 -0.566 0.000 0.636 571 A CB -0.809 17.556 19.000 -1.057 0.000 0.810 571 A HN 0.557 nan 8.150 nan 0.000 0.448 572 G N -1.643 106.999 108.800 -0.263 0.000 2.160 572 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.244 572 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.244 572 G C 0.901 175.722 174.900 -0.131 0.000 1.022 572 G CA 0.933 45.955 45.100 -0.129 0.000 0.741 572 G HN 1.693 nan 8.290 nan 0.000 0.508 573 V N -3.267 116.495 119.914 -0.254 0.000 3.307 573 V HA 0.671 4.790 4.120 -0.001 0.000 0.253 573 V C 1.052 177.043 176.094 -0.172 0.000 1.149 573 V CA 0.872 63.050 62.300 -0.203 0.000 1.112 573 V CB 0.073 31.665 31.823 -0.385 0.000 0.777 573 V HN 0.422 nan 8.190 nan 0.000 0.464 574 L N 0.843 121.949 121.223 -0.194 0.000 2.359 574 L HA 0.596 4.935 4.340 -0.001 0.000 0.256 574 L C -2.665 174.167 176.870 -0.063 0.000 1.026 574 L CA -1.850 52.925 54.840 -0.109 0.000 0.828 574 L CB 2.707 44.705 42.059 -0.100 0.000 1.406 574 L HN 0.005 nan 8.230 nan 0.000 0.413 575 P HA 0.093 nan 4.420 nan 0.000 0.280 575 P C 0.657 178.000 177.300 0.071 0.000 1.244 575 P CA -0.336 62.789 63.100 0.042 0.000 0.784 575 P CB 1.040 32.767 31.700 0.045 0.000 0.913 576 F N 3.242 123.178 119.950 -0.023 0.000 2.050 576 F HA -0.357 4.170 4.527 -0.001 0.000 0.294 576 F C 2.062 177.855 175.800 -0.011 0.000 1.113 576 F CA 2.221 60.212 58.000 -0.015 0.000 1.225 576 F CB -0.343 38.651 39.000 -0.008 0.000 0.953 576 F HN 0.304 nan 8.300 nan 0.000 0.501 577 E N 0.574 120.944 120.200 0.282 0.000 2.019 577 E HA -0.317 4.033 4.350 -0.001 0.000 0.208 577 E C 2.233 178.827 176.600 -0.009 0.000 1.030 577 E CA 1.784 58.274 56.400 0.150 0.000 0.856 577 E CB -1.007 28.773 29.700 0.133 0.000 0.781 577 E HN 0.478 nan 8.360 nan 0.000 0.471 578 K N 0.471 120.871 120.400 0.000 0.000 2.077 578 K HA -0.250 4.069 4.320 -0.001 0.000 0.213 578 K C 2.094 178.656 176.600 -0.063 0.000 1.051 578 K CA 1.849 58.120 56.287 -0.026 0.000 0.929 578 K CB -0.229 32.267 32.500 -0.007 0.000 0.715 578 K HN 0.139 nan 8.250 nan 0.000 0.451 579 A N 0.513 123.290 122.820 -0.071 0.000 1.859 579 A HA -0.177 4.143 4.320 -0.001 0.000 0.217 579 A C 2.294 179.743 177.584 -0.226 0.000 1.198 579 A CA 2.142 54.144 52.037 -0.058 0.000 0.629 579 A CB -0.972 18.010 19.000 -0.029 0.000 0.830 579 A HN 0.203 nan 8.150 nan 0.000 0.446 580 V N 0.838 120.560 119.914 -0.320 0.000 2.392 580 V HA -0.275 3.845 4.120 -0.001 0.000 0.249 580 V C 2.390 178.349 176.094 -0.226 0.000 1.059 580 V CA 2.565 64.663 62.300 -0.338 0.000 1.051 580 V CB -0.938 30.626 31.823 -0.431 0.000 0.658 580 V HN 0.784 nan 8.190 nan 0.000 0.455 581 D N 0.076 120.378 120.400 -0.163 0.000 2.081 581 D HA -0.182 4.457 4.640 -0.001 0.000 0.194 581 D C 1.971 178.191 176.300 -0.133 0.000 0.986 581 D CA 1.541 55.474 54.000 -0.113 0.000 0.837 581 D CB -0.305 40.451 40.800 -0.073 0.000 0.985 581 D HN 0.167 nan 8.370 nan 0.000 0.448 582 L N 0.122 121.263 121.223 -0.137 0.000 2.021 582 L HA -0.144 4.196 4.340 -0.001 0.000 0.215 582 L C 2.548 179.282 176.870 -0.226 0.000 1.074 582 L CA 1.308 56.064 54.840 -0.139 0.000 0.760 582 L CB -1.280 40.723 42.059 -0.093 0.000 0.889 582 L HN 0.274 nan 8.230 nan 0.000 0.433 583 L N -0.602 120.375 121.223 -0.409 0.000 1.989 583 L HA -0.243 4.097 4.340 -0.001 0.000 0.211 583 L C 2.475 179.207 176.870 -0.229 0.000 1.071 583 L CA 1.880 56.405 54.840 -0.525 0.000 0.749 583 L CB -0.687 40.935 42.059 -0.729 0.000 0.890 583 L HN 0.233 nan 8.230 nan 0.000 0.431 584 K N -0.452 119.856 120.400 -0.154 0.000 2.002 584 K HA -0.200 4.119 4.320 -0.001 0.000 0.209 584 K C 2.114 178.751 176.600 0.061 0.000 1.048 584 K CA 1.800 58.076 56.287 -0.018 0.000 0.930 584 K CB -0.286 32.206 32.500 -0.013 0.000 0.714 584 K HN 0.317 nan 8.250 nan 0.000 0.438 585 K N 0.862 121.245 120.400 -0.028 0.000 2.107 585 K HA -0.196 4.123 4.320 -0.001 0.000 0.211 585 K C 2.391 179.011 176.600 0.034 0.000 1.049 585 K CA 2.154 58.423 56.287 -0.030 0.000 0.927 585 K CB -0.273 32.191 32.500 -0.061 0.000 0.714 585 K HN 0.239 nan 8.250 nan 0.000 0.452 586 S N 0.791 116.491 115.700 0.001 0.000 2.423 586 S HA -0.077 4.392 4.470 -0.001 0.000 0.231 586 S C 1.976 176.616 174.600 0.065 0.000 1.014 586 S CA 0.781 58.988 58.200 0.011 0.000 0.965 586 S CB -0.443 62.739 63.200 -0.031 0.000 0.785 586 S HN 0.216 nan 8.310 nan 0.000 0.495 587 I N 1.109 121.740 120.570 0.103 0.000 2.315 587 I HA -0.142 4.028 4.170 -0.001 0.000 0.248 587 I C 2.542 178.762 176.117 0.173 0.000 1.117 587 I CA 1.487 62.895 61.300 0.179 0.000 1.404 587 I CB -0.451 37.600 38.000 0.085 0.000 1.071 587 I HN 0.323 nan 8.210 nan 0.000 0.419 588 H N 0.465 119.567 119.070 0.054 0.000 2.395 588 H HA -0.110 4.446 4.556 -0.001 0.000 0.299 588 H C 2.186 177.538 175.328 0.040 0.000 1.070 588 H CA 1.272 57.346 56.048 0.043 0.000 1.356 588 H CB -0.045 29.721 29.762 0.007 0.000 1.401 588 H HN 0.159 nan 8.280 nan 0.000 0.524 589 K N 0.783 121.269 120.400 0.144 0.000 1.977 589 K HA -0.102 4.218 4.320 -0.001 0.000 0.218 589 K C 1.222 177.835 176.600 0.022 0.000 1.051 589 K CA 1.131 57.453 56.287 0.059 0.000 0.953 589 K CB -0.245 32.271 32.500 0.027 0.000 0.727 589 K HN 0.245 nan 8.250 nan 0.000 0.445 590 A N -0.412 122.400 122.820 -0.013 0.000 2.262 590 A HA 0.265 4.585 4.320 -0.001 0.000 0.273 590 A C -0.120 177.431 177.584 -0.056 0.000 1.202 590 A CA 0.131 52.084 52.037 -0.141 0.000 0.811 590 A CB -0.383 18.427 19.000 -0.316 0.000 1.159 590 A HN 0.491 nan 8.150 nan 0.000 0.505 591 Y N -1.834 118.444 120.300 -0.037 0.000 2.854 591 Y HA -0.293 4.257 4.550 -0.001 0.000 0.466 591 Y C 2.151 178.022 175.900 -0.049 0.000 1.170 591 Y CA 1.670 59.740 58.100 -0.051 0.000 2.593 591 Y CB -1.727 36.687 38.460 -0.076 0.000 1.203 591 Y HN 2.147 nan 8.280 nan 0.000 0.629 592 G N -0.255 108.631 108.800 0.143 0.000 2.284 592 G HA2 -0.466 3.494 3.960 -0.001 0.000 0.268 592 G HA3 -0.466 3.494 3.960 -0.001 0.000 0.268 592 G C 1.137 176.059 174.900 0.036 0.000 0.980 592 G CA 2.161 47.290 45.100 0.049 0.000 0.631 592 G HN 0.983 nan 8.290 nan 0.000 0.548 593 K N 0.513 120.940 120.400 0.046 0.000 1.963 593 K HA -0.050 4.270 4.320 -0.001 0.000 0.216 593 K C 1.430 178.040 176.600 0.015 0.000 1.045 593 K CA 1.371 57.672 56.287 0.023 0.000 0.954 593 K CB -0.151 32.361 32.500 0.019 0.000 0.732 593 K HN 0.279 nan 8.250 nan 0.000 0.442 594 K N 1.786 122.197 120.400 0.020 0.000 2.231 594 K HA 0.164 4.483 4.320 -0.001 0.000 0.275 594 K C -0.412 176.183 176.600 -0.007 0.000 1.105 594 K CA 0.238 56.527 56.287 0.004 0.000 0.931 594 K CB 0.207 32.709 32.500 0.004 0.000 1.296 594 K HN 0.591 nan 8.250 nan 0.000 0.446 595 G N 2.804 111.598 108.800 -0.009 0.000 3.032 595 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.348 595 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.348 595 G C 0.183 175.064 174.900 -0.032 0.000 1.541 595 G CA -0.426 44.664 45.100 -0.017 0.000 1.020 595 G HN 0.734 nan 8.290 nan 0.000 0.562 596 E N 0.094 120.274 120.200 -0.034 0.000 2.494 596 E HA -0.016 4.334 4.350 -0.001 0.000 0.193 596 E C 2.138 178.693 176.600 -0.075 0.000 1.074 596 E CA 0.504 56.869 56.400 -0.058 0.000 0.867 596 E CB 0.208 29.892 29.700 -0.028 0.000 0.924 596 E HN 0.636 nan 8.360 nan 0.000 0.502 597 K N 0.804 121.167 120.400 -0.062 0.000 2.062 597 K HA 0.004 4.323 4.320 -0.001 0.000 0.205 597 K C 1.798 178.340 176.600 -0.098 0.000 1.051 597 K CA 0.636 56.883 56.287 -0.067 0.000 0.941 597 K CB 0.149 32.621 32.500 -0.048 0.000 0.719 597 K HN 0.069 nan 8.250 nan 0.000 0.440 598 I N 0.860 121.365 120.570 -0.108 0.000 3.428 598 I HA -0.123 4.047 4.170 -0.001 0.000 0.286 598 I C 1.652 177.610 176.117 -0.266 0.000 1.287 598 I CA 0.108 61.312 61.300 -0.160 0.000 1.396 598 I CB 0.382 38.313 38.000 -0.115 0.000 1.062 598 I HN -0.041 nan 8.210 nan 0.000 0.471 599 V N 0.731 120.507 119.914 -0.229 0.000 2.446 599 V HA -0.154 3.966 4.120 -0.001 0.000 0.244 599 V C 2.493 178.416 176.094 -0.285 0.000 1.039 599 V CA 1.366 63.478 62.300 -0.314 0.000 1.045 599 V CB -0.413 31.206 31.823 -0.340 0.000 0.681 599 V HN 0.279 nan 8.190 nan 0.000 0.459 600 K N 0.940 121.225 120.400 -0.191 0.000 2.032 600 K HA -0.136 4.183 4.320 -0.001 0.000 0.209 600 K C 2.061 178.584 176.600 -0.128 0.000 1.048 600 K CA 1.979 58.189 56.287 -0.127 0.000 0.927 600 K CB -0.576 31.875 32.500 -0.081 0.000 0.712 600 K HN 0.371 nan 8.250 nan 0.000 0.441 601 M N 0.216 119.731 119.600 -0.142 0.000 2.144 601 M HA -0.221 4.258 4.480 -0.001 0.000 0.260 601 M C 1.646 177.853 176.300 -0.154 0.000 1.067 601 M CA 2.129 57.349 55.300 -0.133 0.000 1.095 601 M CB -0.593 31.924 32.600 -0.139 0.000 1.365 601 M HN 0.198 nan 8.290 nan 0.000 0.406 602 N N -0.438 118.125 118.700 -0.228 0.000 2.207 602 N HA -0.072 4.668 4.740 -0.001 0.000 0.182 602 N C 1.625 177.051 175.510 -0.141 0.000 1.020 602 N CA 1.612 54.527 53.050 -0.225 0.000 0.858 602 N CB -0.294 37.962 38.487 -0.386 0.000 0.991 602 N HN 0.222 nan 8.380 nan 0.000 0.427 603 T N 0.890 115.364 114.554 -0.134 0.000 2.652 603 T HA -0.133 4.217 4.350 -0.001 0.000 0.267 603 T C 0.994 175.665 174.700 -0.049 0.000 1.039 603 T CA 1.405 63.465 62.100 -0.066 0.000 1.153 603 T CB -0.421 68.427 68.868 -0.033 0.000 0.863 603 T HN 0.200 nan 8.240 nan 0.000 0.428 604 D N 1.332 121.698 120.400 -0.057 0.000 2.092 604 D HA -0.052 4.587 4.640 -0.001 0.000 0.193 604 D C 2.380 178.658 176.300 -0.037 0.000 0.994 604 D CA 1.378 55.354 54.000 -0.040 0.000 0.828 604 D CB -0.666 40.107 40.800 -0.044 0.000 0.963 604 D HN 0.390 nan 8.370 nan 0.000 0.450 605 A N 0.550 123.338 122.820 -0.053 0.000 1.948 605 A HA -0.185 4.135 4.320 -0.001 0.000 0.220 605 A C 2.517 180.084 177.584 -0.028 0.000 1.177 605 A CA 1.566 53.577 52.037 -0.043 0.000 0.636 605 A CB -0.726 18.239 19.000 -0.059 0.000 0.815 605 A HN 0.171 nan 8.150 nan 0.000 0.449 606 V N 0.393 120.286 119.914 -0.034 0.000 2.244 606 V HA -0.229 3.890 4.120 -0.001 0.000 0.244 606 V C 2.236 178.323 176.094 -0.010 0.000 1.042 606 V CA 2.145 64.427 62.300 -0.029 0.000 1.006 606 V CB -0.887 30.905 31.823 -0.053 0.000 0.641 606 V HN 0.490 nan 8.190 nan 0.000 0.446 607 D N -0.232 120.164 120.400 -0.006 0.000 2.126 607 D HA -0.255 4.385 4.640 -0.001 0.000 0.190 607 D C 2.197 178.514 176.300 0.029 0.000 1.001 607 D CA 2.009 56.020 54.000 0.018 0.000 0.841 607 D CB -0.276 40.532 40.800 0.014 0.000 0.949 607 D HN 0.467 nan 8.370 nan 0.000 0.446 608 Q N 0.793 120.602 119.800 0.014 0.000 2.084 608 Q HA -0.060 4.279 4.340 -0.001 0.000 0.202 608 Q C 1.886 177.903 176.000 0.027 0.000 0.978 608 Q CA 1.989 57.802 55.803 0.017 0.000 0.844 608 Q CB -0.481 28.259 28.738 0.002 0.000 0.898 608 Q HN 0.207 nan 8.270 nan 0.000 0.426 609 A N -0.513 122.321 122.820 0.023 0.000 1.877 609 A HA -0.132 4.187 4.320 -0.001 0.000 0.216 609 A C 2.306 179.927 177.584 0.062 0.000 1.186 609 A CA 1.670 53.727 52.037 0.034 0.000 0.620 609 A CB -0.963 18.052 19.000 0.025 0.000 0.822 609 A HN 0.272 nan 8.150 nan 0.000 0.443 610 V N 0.015 119.972 119.914 0.072 0.000 2.332 610 V HA -0.254 3.865 4.120 -0.001 0.000 0.248 610 V C 2.765 178.944 176.094 0.142 0.000 1.055 610 V CA 2.533 64.914 62.300 0.135 0.000 1.038 610 V CB -1.220 30.710 31.823 0.179 0.000 0.651 610 V HN 0.656 nan 8.190 nan 0.000 0.450 611 T N -0.580 114.033 114.554 0.099 0.000 2.701 611 T HA -0.152 4.197 4.350 -0.001 0.000 0.263 611 T C 1.973 176.716 174.700 0.071 0.000 1.040 611 T CA 1.798 63.944 62.100 0.077 0.000 1.147 611 T CB -0.300 68.599 68.868 0.051 0.000 0.865 611 T HN 0.471 nan 8.240 nan 0.000 0.426 612 S N 0.951 116.688 115.700 0.062 0.000 2.507 612 S HA 0.102 4.571 4.470 -0.001 0.000 0.235 612 S C 0.668 175.321 174.600 0.088 0.000 0.988 612 S CA 0.103 58.338 58.200 0.058 0.000 0.944 612 S CB -0.261 62.962 63.200 0.039 0.000 0.762 612 S HN 0.123 nan 8.310 nan 0.000 0.526 613 L N 3.333 124.628 121.223 0.119 0.000 2.391 613 L HA 0.273 4.612 4.340 -0.001 0.000 0.249 613 L C -0.136 176.902 176.870 0.281 0.000 1.308 613 L CA 0.392 55.346 54.840 0.189 0.000 1.209 613 L CB -0.778 41.372 42.059 0.151 0.000 1.401 613 L HN 0.101 nan 8.230 nan 0.000 0.416 614 Q N 0.869 120.798 119.800 0.214 0.000 2.266 614 Q HA 0.211 4.551 4.340 -0.001 0.000 0.261 614 Q C -0.187 175.780 176.000 -0.055 0.000 0.985 614 Q CA -0.477 55.400 55.803 0.123 0.000 0.873 614 Q CB 1.630 30.388 28.738 0.033 0.000 1.306 614 Q HN 0.349 nan 8.270 nan 0.000 0.447 615 E N 2.818 122.833 120.200 -0.307 0.000 2.168 615 E HA -0.028 4.322 4.350 -0.001 0.000 0.254 615 E C -0.777 175.618 176.600 -0.343 0.000 1.228 615 E CA -0.186 55.773 56.400 -0.734 0.000 0.956 615 E CB -0.108 29.275 29.700 -0.528 0.000 1.031 615 E HN 0.372 nan 8.360 nan 0.000 0.441 616 F N 4.627 124.320 119.950 -0.428 0.000 2.623 616 F HA -0.037 4.490 4.527 -0.001 0.000 0.386 616 F C 0.159 175.883 175.800 -0.127 0.000 1.068 616 F CA 0.541 58.399 58.000 -0.237 0.000 1.265 616 F CB 0.508 39.307 39.000 -0.334 0.000 1.026 616 F HN 0.227 nan 8.300 nan 0.000 0.568 617 K N 6.912 126.897 120.400 -0.691 0.000 2.213 617 K HA 0.218 4.537 4.320 -0.001 0.000 0.270 617 K C -1.361 174.834 176.600 -0.676 0.000 1.002 617 K CA -0.495 55.443 56.287 -0.581 0.000 0.868 617 K CB 0.977 33.185 32.500 -0.487 0.000 1.093 617 K HN 0.639 nan 8.250 nan 0.000 0.454 618 Y N 1.500 121.543 120.300 -0.427 0.000 2.429 618 Y HA 0.617 5.166 4.550 -0.001 0.000 0.342 618 Y C -2.271 173.271 175.900 -0.597 0.000 1.004 618 Y CA -3.095 54.581 58.100 -0.707 0.000 1.075 618 Y CB 0.246 38.018 38.460 -1.147 0.000 1.214 618 Y HN 0.387 nan 8.280 nan 0.000 0.455 619 P HA 0.012 nan 4.420 nan 0.000 0.271 619 P C -0.237 177.000 177.300 -0.106 0.000 1.216 619 P CA 0.067 63.014 63.100 -0.256 0.000 0.771 619 P CB 1.460 33.074 31.700 -0.144 0.000 0.864 620 D N 1.784 122.165 120.400 -0.033 0.000 2.389 620 D HA -0.152 4.488 4.640 -0.001 0.000 0.221 620 D C 1.641 178.023 176.300 0.136 0.000 0.974 620 D CA 1.337 55.379 54.000 0.069 0.000 0.923 620 D CB -0.003 40.814 40.800 0.029 0.000 0.892 620 D HN 0.334 nan 8.370 nan 0.000 0.518 621 S N -1.296 114.489 115.700 0.142 0.000 2.555 621 S HA -0.102 4.368 4.470 -0.001 0.000 0.230 621 S C 1.569 176.363 174.600 0.323 0.000 0.978 621 S CA -0.184 58.131 58.200 0.191 0.000 0.934 621 S CB -0.546 62.754 63.200 0.167 0.000 0.766 621 S HN 0.329 nan 8.310 nan 0.000 0.533 622 W N 2.557 123.916 121.300 0.098 0.000 2.425 622 W HA 0.226 4.886 4.660 -0.001 0.000 0.277 622 W C 2.106 178.641 176.519 0.028 0.000 1.231 622 W CA -0.268 57.114 57.345 0.061 0.000 1.248 622 W CB -0.506 28.996 29.460 0.069 0.000 1.117 622 W HN 0.249 nan 8.180 nan 0.000 0.568 623 K N 0.395 120.956 120.400 0.268 0.000 2.207 623 K HA -0.212 4.107 4.320 -0.001 0.000 0.208 623 K C -0.101 176.553 176.600 0.091 0.000 1.046 623 K CA 2.036 58.414 56.287 0.152 0.000 0.929 623 K CB -0.723 31.852 32.500 0.124 0.000 0.720 623 K HN 0.403 nan 8.250 nan 0.000 0.463 624 D N -1.948 118.505 120.400 0.089 0.000 2.945 624 D HA 0.292 4.931 4.640 -0.001 0.000 0.340 624 D C -0.616 175.701 176.300 0.027 0.000 1.240 624 D CA -0.361 53.665 54.000 0.043 0.000 0.749 624 D CB 0.337 41.160 40.800 0.039 0.000 1.217 624 D HN 0.058 nan 8.370 nan 0.000 0.514 625 A N 1.846 124.666 122.820 0.001 0.000 2.466 625 A HA 0.460 4.780 4.320 -0.001 0.000 0.238 625 A C -1.806 175.748 177.584 -0.051 0.000 1.074 625 A CA -0.970 51.042 52.037 -0.042 0.000 0.774 625 A CB -0.100 18.807 19.000 -0.155 0.000 1.015 625 A HN 0.343 nan 8.150 nan 0.000 0.498 626 P HA 0.254 nan 4.420 nan 0.000 0.269 626 P C -0.123 177.139 177.300 -0.064 0.000 1.252 626 P CA 0.316 63.388 63.100 -0.046 0.000 0.780 626 P CB 0.300 31.977 31.700 -0.038 0.000 0.829 627 A N 4.555 127.341 122.820 -0.057 0.000 2.567 627 A HA 0.044 4.364 4.320 -0.001 0.000 0.240 627 A C 0.971 178.519 177.584 -0.060 0.000 1.053 627 A CA -0.137 51.862 52.037 -0.062 0.000 0.755 627 A CB -0.300 18.671 19.000 -0.049 0.000 0.978 627 A HN 0.676 nan 8.150 nan 0.000 0.507 628 E N 2.042 122.200 120.200 -0.070 0.000 2.620 628 E HA 0.431 4.781 4.350 -0.001 0.000 0.255 628 E C 0.541 177.111 176.600 -0.050 0.000 1.346 628 E CA -0.126 56.235 56.400 -0.064 0.000 1.013 628 E CB 0.153 29.807 29.700 -0.077 0.000 1.131 628 E HN 0.675 nan 8.360 nan 0.000 0.608 629 T N -1.929 112.598 114.554 -0.045 0.000 2.891 629 T HA 0.322 4.671 4.350 -0.001 0.000 0.294 629 T C -0.048 174.633 174.700 -0.032 0.000 1.065 629 T CA -0.904 61.175 62.100 -0.035 0.000 0.936 629 T CB 0.374 69.224 68.868 -0.031 0.000 1.415 629 T HN 0.569 nan 8.240 nan 0.000 0.572 630 K N 0.212 120.597 120.400 -0.024 0.000 2.606 630 K HA 0.652 4.972 4.320 -0.001 0.000 0.196 630 K C -0.103 176.490 176.600 -0.012 0.000 1.048 630 K CA -0.808 55.469 56.287 -0.018 0.000 1.017 630 K CB 0.719 33.210 32.500 -0.014 0.000 1.413 630 K HN 0.575 nan 8.250 nan 0.000 0.568 631 A N 2.575 125.387 122.820 -0.014 0.000 2.810 631 A HA 0.037 4.356 4.320 -0.001 0.000 0.247 631 A C -0.358 177.227 177.584 0.001 0.000 1.576 631 A CA -0.294 51.737 52.037 -0.009 0.000 1.294 631 A CB -0.785 18.206 19.000 -0.015 0.000 0.976 631 A HN 0.690 nan 8.150 nan 0.000 0.631 632 E N 0.273 120.477 120.200 0.006 0.000 2.200 632 E HA 0.576 4.926 4.350 -0.001 0.000 0.283 632 E C -2.443 174.169 176.600 0.021 0.000 1.015 632 E CA -2.023 54.389 56.400 0.020 0.000 0.819 632 E CB -0.302 29.413 29.700 0.026 0.000 1.081 632 E HN 0.237 nan 8.360 nan 0.000 0.397 633 P HA 0.137 nan 4.420 nan 0.000 0.275 633 P C -0.728 176.586 177.300 0.024 0.000 1.270 633 P CA -0.688 62.428 63.100 0.027 0.000 0.791 633 P CB 0.347 32.068 31.700 0.034 0.000 1.089 634 M N 0.435 120.050 119.600 0.025 0.000 2.235 634 M HA 0.356 4.836 4.480 -0.001 0.000 0.351 634 M C -0.488 175.807 176.300 -0.009 0.000 1.178 634 M CA 1.189 56.497 55.300 0.012 0.000 1.143 634 M CB 0.131 32.746 32.600 0.025 0.000 1.530 634 M HN 0.385 nan 8.290 nan 0.000 0.461 635 T N 1.831 116.320 114.554 -0.109 0.000 2.626 635 T HA 0.479 4.828 4.350 -0.001 0.000 0.299 635 T C -0.877 173.611 174.700 -0.354 0.000 1.181 635 T CA -1.052 60.795 62.100 -0.423 0.000 1.053 635 T CB 0.781 69.317 68.868 -0.552 0.000 1.566 635 T HN 0.645 nan 8.240 nan 0.000 0.486 636 N N 1.318 119.697 118.700 -0.535 0.000 2.445 636 N HA 0.276 5.016 4.740 -0.001 0.000 0.264 636 N C 0.832 176.316 175.510 -0.043 0.000 1.227 636 N CA -0.359 52.584 53.050 -0.178 0.000 0.963 636 N CB 0.958 39.402 38.487 -0.072 0.000 1.188 636 N HN 0.603 nan 8.380 nan 0.000 0.491 637 E N 0.230 120.440 120.200 0.017 0.000 2.106 637 E HA -0.070 4.280 4.350 -0.001 0.000 0.192 637 E C 1.357 177.981 176.600 0.040 0.000 0.984 637 E CA 0.896 57.308 56.400 0.020 0.000 0.806 637 E CB -0.225 29.492 29.700 0.028 0.000 0.750 637 E HN 0.579 nan 8.360 nan 0.000 0.458 638 F N -0.667 119.260 119.950 -0.039 0.000 2.186 638 F HA -0.075 4.452 4.527 -0.001 0.000 0.299 638 F C 1.855 177.641 175.800 -0.024 0.000 1.090 638 F CA 1.042 59.016 58.000 -0.042 0.000 1.307 638 F CB -0.291 38.700 39.000 -0.015 0.000 1.019 638 F HN 0.112 nan 8.300 nan 0.000 0.489 639 F N 1.146 121.037 119.950 -0.099 0.000 2.259 639 F HA -0.080 4.447 4.527 -0.001 0.000 0.298 639 F C 2.471 178.156 175.800 -0.191 0.000 1.088 639 F CA 1.695 59.597 58.000 -0.164 0.000 1.358 639 F CB -0.445 38.392 39.000 -0.271 0.000 1.040 639 F HN -0.084 nan 8.300 nan 0.000 0.505 640 K N 0.076 120.448 120.400 -0.046 0.000 2.044 640 K HA -0.121 4.199 4.320 -0.001 0.000 0.204 640 K C 1.474 177.970 176.600 -0.174 0.000 1.049 640 K CA 1.537 57.779 56.287 -0.075 0.000 0.945 640 K CB -0.273 32.210 32.500 -0.027 0.000 0.724 640 K HN 0.230 nan 8.250 nan 0.000 0.440 641 N N 0.337 118.914 118.700 -0.206 0.000 2.376 641 N HA -0.053 4.687 4.740 -0.001 0.000 0.177 641 N C 1.666 176.962 175.510 -0.357 0.000 1.024 641 N CA 0.822 53.732 53.050 -0.234 0.000 0.893 641 N CB 0.500 38.876 38.487 -0.186 0.000 0.980 641 N HN 0.069 nan 8.380 nan 0.000 0.439 642 V N -0.163 119.413 119.914 -0.563 0.000 3.001 642 V HA 0.050 4.169 4.120 -0.001 0.000 0.228 642 V C 2.119 177.900 176.094 -0.521 0.000 1.204 642 V CA 0.411 62.308 62.300 -0.673 0.000 1.247 642 V CB -0.355 30.720 31.823 -1.246 0.000 1.093 642 V HN 0.042 nan 8.190 nan 0.000 0.504 643 V N 0.570 120.101 119.914 -0.638 0.000 2.453 643 V HA -0.159 3.961 4.120 -0.001 0.000 0.247 643 V C 2.431 178.202 176.094 -0.537 0.000 1.048 643 V CA 2.750 64.778 62.300 -0.453 0.000 1.049 643 V CB -0.303 31.329 31.823 -0.319 0.000 0.672 643 V HN 0.534 nan 8.190 nan 0.000 0.457 644 K N 1.308 121.241 120.400 -0.777 0.000 2.032 644 K HA -0.040 4.279 4.320 -0.001 0.000 0.209 644 K C 0.014 176.486 176.600 -0.213 0.000 1.048 644 K CA 2.403 58.386 56.287 -0.507 0.000 0.927 644 K CB -1.688 30.595 32.500 -0.362 0.000 0.712 644 K HN 0.445 nan 8.250 nan 0.000 0.441 645 P HA -0.124 nan 4.420 nan 0.000 0.216 645 P C 1.108 178.377 177.300 -0.053 0.000 1.150 645 P CA 1.393 64.433 63.100 -0.099 0.000 0.837 645 P CB 0.016 31.645 31.700 -0.118 0.000 0.786 646 I N -1.484 119.047 120.570 -0.066 0.000 2.202 646 I HA -0.199 3.971 4.170 -0.001 0.000 0.242 646 I C 2.121 178.243 176.117 0.009 0.000 1.091 646 I CA 1.273 62.572 61.300 -0.002 0.000 1.368 646 I CB -0.679 37.346 38.000 0.041 0.000 1.058 646 I HN -0.114 nan 8.210 nan 0.000 0.410 647 L N 0.415 121.640 121.223 0.002 0.000 2.353 647 L HA -0.142 4.198 4.340 -0.001 0.000 0.220 647 L C 2.015 178.973 176.870 0.147 0.000 1.133 647 L CA 1.439 56.323 54.840 0.074 0.000 0.798 647 L CB -0.806 41.307 42.059 0.089 0.000 0.922 647 L HN 0.431 nan 8.230 nan 0.000 0.445 648 T N -4.232 110.396 114.554 0.124 0.000 3.243 648 T HA 0.122 4.471 4.350 -0.001 0.000 0.264 648 T C 0.571 175.322 174.700 0.086 0.000 1.000 648 T CA -0.452 61.778 62.100 0.217 0.000 0.901 648 T CB 0.341 69.331 68.868 0.203 0.000 1.083 648 T HN 0.275 nan 8.240 nan 0.000 0.559 649 Q N 0.002 119.802 119.800 -0.001 0.000 2.503 649 Q HA -0.155 4.184 4.340 -0.001 0.000 0.267 649 Q C 0.183 176.185 176.000 0.003 0.000 1.030 649 Q CA 0.833 56.618 55.803 -0.031 0.000 1.041 649 Q CB -2.123 26.580 28.738 -0.057 0.000 1.406 649 Q HN 0.614 nan 8.270 nan 0.000 0.524 650 Q N -1.580 118.227 119.800 0.012 0.000 2.217 650 Q HA 0.240 4.579 4.340 -0.001 0.000 0.217 650 Q C 1.802 177.813 176.000 0.019 0.000 0.844 650 Q CA 0.809 56.620 55.803 0.013 0.000 0.957 650 Q CB 0.451 29.194 28.738 0.008 0.000 1.127 650 Q HN 0.447 nan 8.270 nan 0.000 0.503 651 G N 1.682 110.499 108.800 0.027 0.000 2.507 651 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.221 651 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.221 651 G C 1.091 176.039 174.900 0.080 0.000 1.119 651 G CA 0.830 45.974 45.100 0.073 0.000 0.751 651 G HN 0.272 nan 8.290 nan 0.000 0.574 652 D N 0.230 120.652 120.400 0.036 0.000 2.309 652 D HA -0.042 4.598 4.640 -0.001 0.000 0.212 652 D C 2.176 178.502 176.300 0.044 0.000 0.968 652 D CA 0.730 54.748 54.000 0.031 0.000 0.882 652 D CB 0.054 40.857 40.800 0.006 0.000 0.918 652 D HN 0.370 nan 8.370 nan 0.000 0.503 653 K N -0.078 120.347 120.400 0.041 0.000 2.367 653 K HA 0.138 4.458 4.320 -0.001 0.000 0.194 653 K C 0.738 177.363 176.600 0.042 0.000 1.027 653 K CA -0.121 56.185 56.287 0.032 0.000 1.075 653 K CB 0.850 33.358 32.500 0.013 0.000 0.845 653 K HN 0.110 nan 8.250 nan 0.000 0.529 654 L N 4.461 125.730 121.223 0.077 0.000 2.410 654 L HA 0.105 4.445 4.340 -0.001 0.000 0.273 654 L C -1.779 175.184 176.870 0.156 0.000 1.144 654 L CA -1.517 53.370 54.840 0.078 0.000 0.863 654 L CB 0.232 42.358 42.059 0.111 0.000 1.140 654 L HN -0.037 nan 8.230 nan 0.000 0.463 655 P HA 0.094 nan 4.420 nan 0.000 0.279 655 P C 0.857 178.272 177.300 0.191 0.000 1.282 655 P CA -0.526 62.636 63.100 0.104 0.000 0.788 655 P CB 1.229 32.953 31.700 0.040 0.000 1.139 656 V N 0.158 120.169 119.914 0.162 0.000 2.490 656 V HA -0.207 3.913 4.120 -0.001 0.000 0.250 656 V C 2.739 178.935 176.094 0.170 0.000 1.061 656 V CA 2.621 65.046 62.300 0.209 0.000 1.064 656 V CB -1.764 30.121 31.823 0.103 0.000 0.670 656 V HN 0.742 nan 8.190 nan 0.000 0.461 657 S N 1.269 117.008 115.700 0.065 0.000 2.440 657 S HA -0.136 4.334 4.470 -0.001 0.000 0.238 657 S C 1.926 176.487 174.600 -0.064 0.000 1.010 657 S CA 1.237 59.441 58.200 0.007 0.000 0.972 657 S CB -0.457 62.736 63.200 -0.012 0.000 0.774 657 S HN 0.597 nan 8.310 nan 0.000 0.501 658 A N 0.147 122.863 122.820 -0.173 0.000 2.167 658 A HA 0.415 4.735 4.320 -0.001 0.000 0.214 658 A C 0.400 177.581 177.584 -0.671 0.000 1.151 658 A CA 0.101 51.850 52.037 -0.480 0.000 0.735 658 A CB -0.396 18.167 19.000 -0.730 0.000 0.802 658 A HN 0.521 nan 8.150 nan 0.000 0.467 659 F N -0.121 119.826 119.950 -0.005 0.000 2.507 659 F HA 0.424 4.950 4.527 -0.001 0.000 0.327 659 F C 0.346 176.146 175.800 -0.000 0.000 1.068 659 F CA -1.105 56.895 58.000 0.000 0.000 0.965 659 F CB 0.965 39.984 39.000 0.032 0.000 1.192 659 F HN -0.069 nan 8.300 nan 0.000 0.476 660 E N 0.953 121.268 120.200 0.191 0.000 2.316 660 E HA 0.186 4.535 4.350 -0.001 0.000 0.275 660 E C 0.769 177.448 176.600 0.133 0.000 1.029 660 E CA 0.066 56.537 56.400 0.118 0.000 0.871 660 E CB 1.479 31.236 29.700 0.094 0.000 1.022 660 E HN 0.795 nan 8.360 nan 0.000 0.418 661 A N 4.160 127.031 122.820 0.086 0.000 1.927 661 A HA -0.256 4.064 4.320 -0.001 0.000 0.220 661 A C 1.404 179.037 177.584 0.082 0.000 1.185 661 A CA 2.283 54.357 52.037 0.062 0.000 0.639 661 A CB -0.350 18.676 19.000 0.044 0.000 0.820 661 A HN 0.630 nan 8.150 nan 0.000 0.451 662 D N -2.559 117.908 120.400 0.111 0.000 2.328 662 D HA 0.307 4.947 4.640 -0.001 0.000 0.226 662 D C 1.140 177.571 176.300 0.218 0.000 1.066 662 D CA 0.914 55.000 54.000 0.142 0.000 0.861 662 D CB -0.614 40.255 40.800 0.116 0.000 0.912 662 D HN 0.874 nan 8.370 nan 0.000 0.521 663 G N 1.138 110.100 108.800 0.269 0.000 2.184 663 G HA2 -0.374 3.586 3.960 -0.001 0.000 0.264 663 G HA3 -0.374 3.586 3.960 -0.001 0.000 0.264 663 G C 0.422 175.576 174.900 0.423 0.000 0.975 663 G CA 0.244 45.590 45.100 0.409 0.000 0.642 663 G HN 0.785 nan 8.290 nan 0.000 0.536 664 R N -1.004 119.680 120.500 0.306 0.000 2.738 664 R HA 0.636 4.975 4.340 -0.001 0.000 0.268 664 R C -0.593 175.929 176.300 0.371 0.000 1.062 664 R CA -0.038 56.246 56.100 0.307 0.000 1.158 664 R CB 0.397 30.802 30.300 0.176 0.000 1.046 664 R HN 0.118 nan 8.270 nan 0.000 0.493 665 F N 0.308 120.318 119.950 0.101 0.000 2.603 665 F HA 0.533 5.060 4.527 -0.001 0.000 0.317 665 F C -1.910 173.855 175.800 -0.058 0.000 1.066 665 F CA -2.387 55.644 58.000 0.051 0.000 0.941 665 F CB 1.978 41.068 39.000 0.150 0.000 1.291 665 F HN 0.602 nan 8.300 nan 0.000 0.472 666 P HA 0.424 nan 4.420 nan 0.000 0.281 666 P C -1.100 176.239 177.300 0.066 0.000 1.264 666 P CA -0.439 62.596 63.100 -0.108 0.000 0.824 666 P CB 1.406 32.889 31.700 -0.361 0.000 1.092 667 L N 0.306 121.574 121.223 0.075 0.000 2.472 667 L HA 0.370 4.710 4.340 -0.001 0.000 0.260 667 L C 1.781 178.743 176.870 0.154 0.000 1.209 667 L CA 1.418 56.331 54.840 0.121 0.000 0.817 667 L CB -0.794 41.324 42.059 0.099 0.000 1.106 667 L HN 0.857 nan 8.230 nan 0.000 0.479 668 G N -0.395 108.499 108.800 0.157 0.000 2.203 668 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.263 668 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.263 668 G C 0.898 175.975 174.900 0.295 0.000 1.012 668 G CA 0.890 46.086 45.100 0.160 0.000 0.749 668 G HN 0.893 nan 8.290 nan 0.000 0.512 669 T N -2.198 112.594 114.554 0.396 0.000 3.035 669 T HA 0.079 4.429 4.350 -0.001 0.000 0.268 669 T C 2.519 177.579 174.700 0.601 0.000 1.109 669 T CA 1.775 64.250 62.100 0.625 0.000 1.119 669 T CB -0.227 69.044 68.868 0.673 0.000 0.900 669 T HN 1.254 nan 8.240 nan 0.000 0.503 670 S N 0.703 116.633 115.700 0.382 0.000 2.522 670 S HA -0.019 4.451 4.470 -0.001 0.000 0.227 670 S C 1.998 176.772 174.600 0.291 0.000 0.986 670 S CA -0.117 58.296 58.200 0.356 0.000 0.929 670 S CB -0.415 62.963 63.200 0.298 0.000 0.769 670 S HN 0.346 nan 8.310 nan 0.000 0.529 671 Q N 0.623 120.478 119.800 0.091 0.000 2.234 671 Q HA -0.040 4.300 4.340 -0.001 0.000 0.206 671 Q C 0.866 176.567 176.000 -0.499 0.000 0.980 671 Q CA 1.297 56.984 55.803 -0.193 0.000 0.869 671 Q CB -0.481 27.863 28.738 -0.657 0.000 0.912 671 Q HN 0.833 nan 8.270 nan 0.000 0.436 672 F N -0.441 119.411 119.950 -0.164 0.000 2.695 672 F HA 0.186 4.712 4.527 -0.001 0.000 0.303 672 F C 1.888 177.500 175.800 -0.313 0.000 1.091 672 F CA -0.244 57.456 58.000 -0.500 0.000 1.300 672 F CB 0.140 38.346 39.000 -1.323 0.000 1.071 672 F HN 0.004 nan 8.300 nan 0.000 0.578 673 E N 0.954 121.252 120.200 0.164 0.000 2.031 673 E HA -0.135 4.214 4.350 -0.001 0.000 0.193 673 E C 0.386 177.059 176.600 0.122 0.000 0.994 673 E CA 0.696 57.267 56.400 0.285 0.000 0.800 673 E CB -0.021 29.857 29.700 0.297 0.000 0.752 673 E HN -0.010 nan 8.360 nan 0.000 0.447 674 K N 0.625 121.013 120.400 -0.020 0.000 3.730 674 K HA -0.265 4.055 4.320 -0.001 0.000 0.276 674 K C 0.419 177.012 176.600 -0.010 0.000 0.904 674 K CA 0.577 56.812 56.287 -0.087 0.000 0.741 674 K CB -1.133 31.317 32.500 -0.084 0.000 1.542 674 K HN 0.302 nan 8.250 nan 0.000 0.446 675 R N 0.227 120.733 120.500 0.010 0.000 2.092 675 R HA -0.069 4.271 4.340 -0.001 0.000 0.231 675 R C 1.294 177.610 176.300 0.027 0.000 1.119 675 R CA 0.898 57.029 56.100 0.052 0.000 0.970 675 R CB 0.021 30.368 30.300 0.079 0.000 0.864 675 R HN 0.656 nan 8.270 nan 0.000 0.440 676 G N 1.183 109.973 108.800 -0.017 0.000 2.359 676 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.298 676 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.298 676 G C 0.434 175.337 174.900 0.005 0.000 1.030 676 G CA 0.426 45.516 45.100 -0.017 0.000 1.149 676 G HN 0.370 nan 8.290 nan 0.000 0.512 677 V N -2.690 117.224 119.914 0.001 0.000 3.528 677 V HA 0.767 4.887 4.120 -0.001 0.000 0.294 677 V C 1.366 177.459 176.094 -0.002 0.000 1.404 677 V CA 0.674 62.985 62.300 0.017 0.000 1.065 677 V CB 0.052 31.902 31.823 0.046 0.000 0.904 677 V HN 1.699 nan 8.190 nan 0.000 0.435 678 A N 0.395 123.202 122.820 -0.021 0.000 2.425 678 A HA 0.632 4.951 4.320 -0.001 0.000 0.249 678 A C 1.020 178.599 177.584 -0.008 0.000 1.084 678 A CA -0.031 51.993 52.037 -0.023 0.000 0.781 678 A CB 0.298 19.277 19.000 -0.034 0.000 1.019 678 A HN 0.402 nan 8.150 nan 0.000 0.490 679 I N 0.758 121.326 120.570 -0.003 0.000 2.400 679 I HA -0.019 4.151 4.170 -0.001 0.000 0.248 679 I C 0.292 176.410 176.117 0.002 0.000 1.109 679 I CA 0.599 61.899 61.300 0.001 0.000 1.425 679 I CB -0.036 37.965 38.000 0.002 0.000 1.094 679 I HN 0.560 nan 8.210 nan 0.000 0.425 680 N N 0.611 119.312 118.700 0.002 0.000 2.238 680 N HA 0.475 5.215 4.740 -0.001 0.000 0.302 680 N C -0.947 174.565 175.510 0.003 0.000 1.072 680 N CA -0.237 52.816 53.050 0.005 0.000 0.792 680 N CB 3.039 41.531 38.487 0.008 0.000 1.425 680 N HN -0.120 nan 8.380 nan 0.000 0.478 681 V N -1.025 118.894 119.914 0.007 0.000 3.074 681 V HA 0.774 4.893 4.120 -0.001 0.000 0.314 681 V C -2.616 173.490 176.094 0.020 0.000 1.117 681 V CA -2.302 60.002 62.300 0.008 0.000 1.014 681 V CB 2.465 34.290 31.823 0.002 0.000 1.057 681 V HN 0.450 nan 8.190 nan 0.000 0.438 682 P HA 0.264 nan 4.420 nan 0.000 0.274 682 P C -1.392 175.945 177.300 0.062 0.000 1.237 682 P CA -0.153 62.974 63.100 0.045 0.000 0.793 682 P CB 0.999 32.729 31.700 0.050 0.000 0.977 683 Q N 1.579 121.428 119.800 0.082 0.000 2.309 683 Q HA 0.258 4.597 4.340 -0.001 0.000 0.270 683 Q C -1.545 174.556 176.000 0.168 0.000 1.023 683 Q CA -0.772 55.093 55.803 0.102 0.000 0.758 683 Q CB 1.042 29.817 28.738 0.061 0.000 1.247 683 Q HN 0.389 nan 8.270 nan 0.000 0.455 684 W N 4.970 126.256 121.300 -0.023 0.000 2.253 684 W HA 0.333 4.992 4.660 -0.001 0.000 0.322 684 W C -1.107 175.399 176.519 -0.020 0.000 1.342 684 W CA -0.291 57.039 57.345 -0.025 0.000 1.218 684 W CB 0.834 30.263 29.460 -0.052 0.000 1.205 684 W HN 0.383 nan 8.180 nan 0.000 0.551 685 V N 10.605 130.320 119.914 -0.330 0.000 2.239 685 V HA 0.129 4.249 4.120 -0.001 0.000 0.267 685 V C -1.068 174.564 176.094 -0.769 0.000 1.056 685 V CA -1.271 60.787 62.300 -0.402 0.000 0.830 685 V CB 1.030 32.741 31.823 -0.186 0.000 1.090 685 V HN 0.522 nan 8.190 nan 0.000 0.459 686 P HA -0.155 nan 4.420 nan 0.000 0.223 686 P C 0.914 177.904 177.300 -0.517 0.000 1.144 686 P CA 1.112 63.454 63.100 -1.264 0.000 0.783 686 P CB 0.619 31.566 31.700 -1.254 0.000 0.771 687 E N 0.167 120.158 120.200 -0.349 0.000 2.208 687 E HA -0.102 4.248 4.350 -0.001 0.000 0.193 687 E C 1.409 177.930 176.600 -0.132 0.000 0.988 687 E CA 1.078 57.368 56.400 -0.184 0.000 0.828 687 E CB -0.767 28.850 29.700 -0.139 0.000 0.763 687 E HN 0.481 nan 8.360 nan 0.000 0.478 688 N N -0.881 117.728 118.700 -0.152 0.000 2.236 688 N HA 0.079 4.819 4.740 -0.001 0.000 0.196 688 N C -0.550 174.946 175.510 -0.023 0.000 1.114 688 N CA -0.276 52.729 53.050 -0.075 0.000 0.859 688 N CB 0.581 39.031 38.487 -0.063 0.000 0.982 688 N HN 0.036 nan 8.380 nan 0.000 0.493 689 C N 2.072 121.358 119.300 -0.023 0.000 2.566 689 C HA 0.242 4.702 4.460 -0.001 0.000 0.393 689 C C 1.686 176.764 174.990 0.147 0.000 1.309 689 C CA -0.738 58.375 59.018 0.160 0.000 1.801 689 C CB -1.230 26.751 27.740 0.402 0.000 2.493 689 C HN 0.501 nan 8.230 nan 0.000 0.575 690 I N 2.803 123.444 120.570 0.118 0.000 3.855 690 I HA 0.201 4.371 4.170 -0.001 0.000 0.327 690 I C 0.730 176.842 176.117 -0.008 0.000 1.359 690 I CA 0.030 61.356 61.300 0.043 0.000 1.142 690 I CB -0.704 37.305 38.000 0.015 0.000 1.041 690 I HN 0.855 nan 8.210 nan 0.000 0.403 691 Q N 0.860 120.685 119.800 0.042 0.000 2.439 691 Q HA -0.232 4.108 4.340 -0.001 0.000 0.325 691 Q C 1.238 177.104 176.000 -0.222 0.000 1.372 691 Q CA 0.632 56.279 55.803 -0.261 0.000 0.909 691 Q CB -2.109 26.145 28.738 -0.806 0.000 1.167 691 Q HN 0.950 nan 8.270 nan 0.000 0.418 692 C N -2.853 116.421 119.300 -0.044 0.000 2.590 692 C HA 0.225 4.684 4.460 -0.001 0.000 0.272 692 C C 1.128 176.070 174.990 -0.079 0.000 1.338 692 C CA 0.302 59.275 59.018 -0.075 0.000 1.746 692 C CB 0.124 27.836 27.740 -0.047 0.000 2.020 692 C HN 0.775 nan 8.230 nan 0.000 0.531 693 N N 0.423 119.126 118.700 0.006 0.000 2.948 693 N HA -0.197 4.543 4.740 -0.001 0.000 0.239 693 N C 0.761 176.276 175.510 0.009 0.000 0.954 693 N CA 1.457 54.502 53.050 -0.008 0.000 0.941 693 N CB -1.649 36.743 38.487 -0.157 0.000 1.101 693 N HN 0.784 nan 8.380 nan 0.000 0.579 694 Q N -0.584 119.214 119.800 -0.003 0.000 2.170 694 Q HA -0.112 4.228 4.340 -0.001 0.000 0.203 694 Q C 2.256 178.295 176.000 0.065 0.000 0.976 694 Q CA 1.859 57.664 55.803 0.003 0.000 0.858 694 Q CB -0.138 28.576 28.738 -0.039 0.000 0.907 694 Q HN 0.847 nan 8.270 nan 0.000 0.433 695 C N -0.524 118.806 119.300 0.051 0.000 2.432 695 C HA 0.031 4.491 4.460 -0.001 0.000 0.277 695 C C 2.737 177.749 174.990 0.036 0.000 1.249 695 C CA 0.458 59.501 59.018 0.043 0.000 1.725 695 C CB -1.318 26.442 27.740 0.033 0.000 2.028 695 C HN 0.462 nan 8.230 nan 0.000 0.477 696 A N 0.042 122.877 122.820 0.026 0.000 1.930 696 A HA -0.003 4.316 4.320 -0.001 0.000 0.217 696 A C 1.996 179.593 177.584 0.021 0.000 1.175 696 A CA 1.436 53.474 52.037 0.002 0.000 0.627 696 A CB -1.018 17.968 19.000 -0.023 0.000 0.815 696 A HN 0.600 nan 8.150 nan 0.000 0.443 697 F N 0.392 120.296 119.950 -0.077 0.000 2.126 697 F HA -0.163 4.364 4.527 -0.001 0.000 0.299 697 F C 2.136 177.885 175.800 -0.085 0.000 1.096 697 F CA 2.010 59.965 58.000 -0.074 0.000 1.255 697 F CB 0.066 39.029 39.000 -0.062 0.000 0.997 697 F HN 0.041 nan 8.300 nan 0.000 0.479 698 V N -0.861 119.152 119.914 0.165 0.000 3.129 698 V HA -0.128 3.992 4.120 -0.001 0.000 0.259 698 V C 1.129 177.198 176.094 -0.042 0.000 1.116 698 V CA 0.426 62.757 62.300 0.051 0.000 1.127 698 V CB -0.679 31.184 31.823 0.067 0.000 0.742 698 V HN 0.427 nan 8.190 nan 0.000 0.474 699 C N 3.004 122.280 119.300 -0.041 0.000 2.638 699 C HA 0.133 4.592 4.460 -0.001 0.000 0.410 699 C C -0.374 174.556 174.990 -0.099 0.000 1.404 699 C CA -0.924 58.071 59.018 -0.039 0.000 1.651 699 C CB 0.304 28.037 27.740 -0.011 0.000 2.495 699 C HN 0.344 nan 8.230 nan 0.000 0.606 700 P HA 0.015 nan 4.420 nan 0.000 0.237 700 P C 0.049 177.073 177.300 -0.460 0.000 1.178 700 P CA 1.368 64.320 63.100 -0.247 0.000 0.766 700 P CB 0.026 31.630 31.700 -0.160 0.000 0.876 701 H N -3.259 115.746 119.070 -0.108 0.000 3.078 701 H HA 0.304 4.859 4.556 -0.001 0.000 0.263 701 H C 0.512 175.846 175.328 0.011 0.000 1.177 701 H CA -0.054 55.964 56.048 -0.050 0.000 1.128 701 H CB 0.135 29.919 29.762 0.036 0.000 1.623 701 H HN -0.215 nan 8.280 nan 0.000 0.592 702 S N 0.024 115.726 115.700 0.003 0.000 3.635 702 S HA -0.268 4.202 4.470 -0.001 0.000 0.328 702 S C 1.515 176.224 174.600 0.182 0.000 1.135 702 S CA 0.460 58.649 58.200 -0.018 0.000 0.942 702 S CB -1.383 61.683 63.200 -0.223 0.000 0.930 702 S HN 0.696 nan 8.310 nan 0.000 0.512 703 A N -0.166 122.764 122.820 0.183 0.000 2.167 703 A HA 0.365 4.685 4.320 -0.001 0.000 0.214 703 A C 0.756 178.377 177.584 0.061 0.000 1.151 703 A CA 0.625 52.754 52.037 0.154 0.000 0.735 703 A CB -0.009 19.041 19.000 0.084 0.000 0.802 703 A HN 0.694 nan 8.150 nan 0.000 0.467 704 I N 0.608 121.193 120.570 0.025 0.000 2.336 704 I HA 0.313 4.483 4.170 -0.001 0.000 0.292 704 I C -0.893 175.197 176.117 -0.045 0.000 0.991 704 I CA -0.672 60.607 61.300 -0.035 0.000 1.227 704 I CB 1.773 39.741 38.000 -0.053 0.000 1.366 704 I HN 0.105 nan 8.210 nan 0.000 0.466 705 L N 10.100 131.277 121.223 -0.076 0.000 2.324 705 L HA 0.596 4.936 4.340 -0.001 0.000 0.274 705 L C -2.591 174.200 176.870 -0.131 0.000 1.012 705 L CA -1.877 52.924 54.840 -0.064 0.000 0.859 705 L CB 0.872 42.918 42.059 -0.021 0.000 1.224 705 L HN 0.231 nan 8.230 nan 0.000 0.429 706 P HA 0.203 nan 4.420 nan 0.000 0.271 706 P C -1.194 176.068 177.300 -0.063 0.000 1.218 706 P CA -0.079 62.944 63.100 -0.128 0.000 0.780 706 P CB 1.051 32.808 31.700 0.096 0.000 0.901 707 V N 4.251 124.034 119.914 -0.218 0.000 2.588 707 V HA 0.394 4.513 4.120 -0.001 0.000 0.304 707 V C -0.481 175.590 176.094 -0.040 0.000 1.042 707 V CA -0.492 61.754 62.300 -0.090 0.000 0.877 707 V CB 1.793 33.580 31.823 -0.060 0.000 0.996 707 V HN 0.311 nan 8.190 nan 0.000 0.425 708 L N 4.895 126.096 121.223 -0.038 0.000 2.427 708 L HA 0.883 5.223 4.340 -0.001 0.000 0.264 708 L C 0.002 176.892 176.870 0.034 0.000 0.989 708 L CA -0.027 54.772 54.840 -0.067 0.000 0.865 708 L CB 0.973 42.712 42.059 -0.534 0.000 1.209 708 L HN 0.800 nan 8.230 nan 0.000 0.430 709 A N 4.361 127.282 122.820 0.169 0.000 2.350 709 A HA 0.863 5.183 4.320 -0.001 0.000 0.318 709 A C -0.809 176.913 177.584 0.229 0.000 1.132 709 A CA -0.760 51.391 52.037 0.189 0.000 0.811 709 A CB 1.252 20.356 19.000 0.174 0.000 1.313 709 A HN 0.563 nan 8.150 nan 0.000 0.454 710 K N 0.537 121.019 120.400 0.137 0.000 2.118 710 K HA 0.312 4.632 4.320 -0.001 0.000 0.254 710 K C 0.212 176.837 176.600 0.042 0.000 0.961 710 K CA -0.657 55.642 56.287 0.022 0.000 0.876 710 K CB 1.651 34.122 32.500 -0.048 0.000 1.077 710 K HN 0.759 nan 8.250 nan 0.000 0.440 711 E N 1.977 122.188 120.200 0.019 0.000 2.113 711 E HA -0.343 4.006 4.350 -0.001 0.000 0.210 711 E C 1.557 178.183 176.600 0.044 0.000 1.040 711 E CA 2.420 58.843 56.400 0.039 0.000 0.847 711 E CB -0.048 29.662 29.700 0.016 0.000 0.755 711 E HN 0.698 nan 8.360 nan 0.000 0.459 712 E N 0.866 121.080 120.200 0.023 0.000 2.209 712 E HA -0.221 4.129 4.350 -0.001 0.000 0.196 712 E C 1.658 178.281 176.600 0.039 0.000 0.993 712 E CA 1.237 57.651 56.400 0.024 0.000 0.819 712 E CB -0.276 29.428 29.700 0.007 0.000 0.745 712 E HN 0.396 nan 8.360 nan 0.000 0.477 713 E N 0.369 120.598 120.200 0.048 0.000 2.285 713 E HA -0.048 4.302 4.350 -0.001 0.000 0.194 713 E C 1.441 178.109 176.600 0.113 0.000 0.997 713 E CA 0.232 56.662 56.400 0.049 0.000 0.845 713 E CB 0.157 29.877 29.700 0.033 0.000 0.782 713 E HN 0.225 nan 8.360 nan 0.000 0.491 714 L N 0.842 122.150 121.223 0.142 0.000 2.591 714 L HA 0.005 4.344 4.340 -0.001 0.000 0.228 714 L C 1.966 178.902 176.870 0.110 0.000 1.133 714 L CA 0.495 55.447 54.840 0.187 0.000 0.880 714 L CB -0.726 41.452 42.059 0.198 0.000 1.033 714 L HN 0.002 nan 8.230 nan 0.000 0.450 715 V N 1.136 121.105 119.914 0.092 0.000 2.220 715 V HA -0.295 3.824 4.120 -0.001 0.000 0.250 715 V C 2.247 178.343 176.094 0.003 0.000 1.053 715 V CA 2.303 64.631 62.300 0.046 0.000 1.019 715 V CB -1.152 30.697 31.823 0.043 0.000 0.646 715 V HN 0.559 nan 8.190 nan 0.000 0.455 716 G N -0.506 108.310 108.800 0.027 0.000 3.155 716 G HA2 0.319 4.278 3.960 -0.001 0.000 0.213 716 G HA3 0.319 4.278 3.960 -0.001 0.000 0.213 716 G C 0.490 175.148 174.900 -0.404 0.000 1.196 716 G CA 0.431 45.490 45.100 -0.069 0.000 0.846 716 G HN 0.724 nan 8.290 nan 0.000 0.516 717 A N 1.006 123.493 122.820 -0.554 0.000 2.520 717 A HA 0.494 4.814 4.320 -0.001 0.000 0.245 717 A C -1.746 175.491 177.584 -0.579 0.000 1.072 717 A CA -0.789 50.580 52.037 -1.115 0.000 0.761 717 A CB 0.216 18.890 19.000 -0.544 0.000 1.004 717 A HN 0.219 nan 8.150 nan 0.000 0.499 718 P HA 0.108 nan 4.420 nan 0.000 0.267 718 P C 1.031 178.294 177.300 -0.062 0.000 1.201 718 P CA 0.700 63.672 63.100 -0.214 0.000 0.775 718 P CB 0.584 32.207 31.700 -0.128 0.000 0.854 719 A N 3.177 125.979 122.820 -0.029 0.000 1.917 719 A HA -0.218 4.102 4.320 -0.001 0.000 0.219 719 A C 1.455 179.069 177.584 0.050 0.000 1.182 719 A CA 1.879 53.921 52.037 0.009 0.000 0.633 719 A CB -1.169 17.832 19.000 0.002 0.000 0.819 719 A HN 0.744 nan 8.150 nan 0.000 0.448 720 N N -1.258 117.480 118.700 0.063 0.000 2.421 720 N HA -0.002 4.737 4.740 -0.001 0.000 0.201 720 N C -0.034 175.557 175.510 0.134 0.000 1.198 720 N CA -0.053 53.045 53.050 0.080 0.000 0.838 720 N CB -0.295 38.229 38.487 0.062 0.000 1.011 720 N HN 0.365 nan 8.380 nan 0.000 0.463 721 F N 2.941 122.889 119.950 -0.002 0.000 2.669 721 F HA 0.164 4.691 4.527 -0.001 0.000 0.353 721 F C 0.112 175.958 175.800 0.077 0.000 1.192 721 F CA -0.543 57.475 58.000 0.030 0.000 1.317 721 F CB -0.640 38.343 39.000 -0.029 0.000 1.652 721 F HN -0.194 nan 8.300 nan 0.000 0.608 722 T N 2.641 117.199 114.554 0.007 0.000 2.867 722 T HA 0.426 4.775 4.350 -0.001 0.000 0.297 722 T C 0.197 174.933 174.700 0.059 0.000 0.989 722 T CA 0.044 62.165 62.100 0.036 0.000 1.159 722 T CB 0.572 69.448 68.868 0.013 0.000 0.928 722 T HN 0.521 nan 8.240 nan 0.000 0.538 723 A N 3.879 126.763 122.820 0.107 0.000 2.393 723 A HA 0.724 5.044 4.320 -0.001 0.000 0.306 723 A C -0.402 177.299 177.584 0.195 0.000 1.050 723 A CA -0.933 51.205 52.037 0.167 0.000 0.724 723 A CB 0.998 20.096 19.000 0.163 0.000 1.248 723 A HN 0.804 nan 8.150 nan 0.000 0.424 724 L N 1.552 122.950 121.223 0.291 0.000 2.379 724 L HA 0.403 4.743 4.340 -0.001 0.000 0.269 724 L C 0.872 177.892 176.870 0.249 0.000 1.084 724 L CA -0.735 54.257 54.840 0.254 0.000 0.802 724 L CB 1.024 43.285 42.059 0.337 0.000 1.175 724 L HN 0.881 nan 8.230 nan 0.000 0.448 725 E N 1.303 121.606 120.200 0.172 0.000 2.360 725 E HA 0.378 4.728 4.350 -0.001 0.000 0.269 725 E C -0.493 176.210 176.600 0.171 0.000 1.022 725 E CA -0.795 55.697 56.400 0.154 0.000 0.887 725 E CB 1.085 30.844 29.700 0.100 0.000 0.990 725 E HN 0.597 nan 8.360 nan 0.000 0.426 726 A N 4.250 127.184 122.820 0.191 0.000 2.522 726 A HA 0.060 4.379 4.320 -0.001 0.000 0.256 726 A C -0.027 177.599 177.584 0.069 0.000 1.086 726 A CA -0.159 51.970 52.037 0.153 0.000 0.763 726 A CB 0.071 19.200 19.000 0.215 0.000 1.024 726 A HN 0.610 nan 8.150 nan 0.000 0.502 727 K N 1.383 121.776 120.400 -0.012 0.000 2.218 727 K HA 0.540 4.860 4.320 -0.001 0.000 0.276 727 K C 0.343 176.930 176.600 -0.022 0.000 1.022 727 K CA 0.753 57.027 56.287 -0.022 0.000 0.946 727 K CB 1.101 33.567 32.500 -0.057 0.000 1.000 727 K HN 1.373 nan 8.250 nan 0.000 0.468 728 G N 1.763 110.565 108.800 0.002 0.000 2.931 728 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.675 728 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.675 728 G C 0.120 175.042 174.900 0.037 0.000 1.339 728 G CA -0.610 44.496 45.100 0.011 0.000 0.866 728 G HN 0.633 nan 8.290 nan 0.000 0.616 729 K N 0.205 120.624 120.400 0.031 0.000 2.074 729 K HA -0.132 4.187 4.320 -0.001 0.000 0.209 729 K C 2.082 178.718 176.600 0.060 0.000 1.048 729 K CA 2.124 58.434 56.287 0.039 0.000 0.926 729 K CB -0.049 32.468 32.500 0.029 0.000 0.713 729 K HN 0.639 nan 8.250 nan 0.000 0.444 730 E N 0.167 120.404 120.200 0.061 0.000 2.285 730 E HA -0.119 4.231 4.350 -0.001 0.000 0.194 730 E C 1.582 178.262 176.600 0.134 0.000 0.997 730 E CA 0.690 57.138 56.400 0.080 0.000 0.845 730 E CB 0.140 29.872 29.700 0.052 0.000 0.782 730 E HN 0.408 nan 8.360 nan 0.000 0.491 731 L N 1.001 122.301 121.223 0.129 0.000 2.628 731 L HA 0.139 4.478 4.340 -0.001 0.000 0.229 731 L C 1.105 178.180 176.870 0.342 0.000 1.137 731 L CA -0.215 54.761 54.840 0.227 0.000 0.909 731 L CB -0.160 41.950 42.059 0.084 0.000 1.137 731 L HN -0.111 nan 8.230 nan 0.000 0.470 732 K N 1.706 122.224 120.400 0.195 0.000 2.437 732 K HA 0.072 4.391 4.320 -0.001 0.000 0.277 732 K C 1.098 177.738 176.600 0.067 0.000 1.073 732 K CA 1.098 57.453 56.287 0.113 0.000 1.105 732 K CB 0.109 32.649 32.500 0.067 0.000 0.881 732 K HN 0.330 nan 8.250 nan 0.000 0.475 733 G N 3.343 112.163 108.800 0.034 0.000 2.238 733 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.217 733 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.217 733 G C -0.517 174.306 174.900 -0.127 0.000 0.996 733 G CA -0.161 44.887 45.100 -0.088 0.000 0.632 733 G HN 0.593 nan 8.290 nan 0.000 0.503 734 Y N 1.204 121.527 120.300 0.038 0.000 2.354 734 Y HA 0.686 5.236 4.550 -0.001 0.000 0.322 734 Y C 0.838 176.796 175.900 0.096 0.000 1.253 734 Y CA -0.499 57.630 58.100 0.050 0.000 1.272 734 Y CB 0.839 39.312 38.460 0.022 0.000 1.255 734 Y HN -0.182 nan 8.280 nan 0.000 0.500 735 K N 2.070 122.647 120.400 0.295 0.000 2.159 735 K HA 0.305 4.625 4.320 -0.001 0.000 0.266 735 K C -1.394 175.397 176.600 0.319 0.000 0.975 735 K CA -0.591 55.855 56.287 0.264 0.000 0.865 735 K CB 1.627 34.255 32.500 0.214 0.000 1.087 735 K HN 0.555 nan 8.250 nan 0.000 0.446 736 F N 2.281 122.328 119.950 0.162 0.000 2.492 736 F HA 0.543 5.070 4.527 -0.001 0.000 0.327 736 F C -0.209 175.672 175.800 0.136 0.000 1.079 736 F CA -0.752 57.337 58.000 0.148 0.000 0.967 736 F CB 1.377 40.486 39.000 0.181 0.000 1.169 736 F HN 0.493 nan 8.300 nan 0.000 0.472 737 R N 5.785 125.713 120.500 -0.952 0.000 2.594 737 R HA 0.465 4.805 4.340 -0.001 0.000 0.265 737 R C -2.349 173.039 176.300 -1.520 0.000 1.070 737 R CA -0.700 54.777 56.100 -1.038 0.000 0.909 737 R CB 1.339 31.270 30.300 -0.616 0.000 1.243 737 R HN 0.617 nan 8.270 nan 0.000 0.455 738 I N 4.153 123.430 120.570 -2.155 0.000 2.347 738 I HA 0.191 4.361 4.170 -0.001 0.000 0.283 738 I C -0.345 175.133 176.117 -1.064 0.000 1.058 738 I CA -0.400 59.953 61.300 -1.578 0.000 1.202 738 I CB 0.976 37.835 38.000 -1.901 0.000 1.386 738 I HN 0.591 nan 8.210 nan 0.000 0.475 739 Q N 6.393 125.838 119.800 -0.591 0.000 2.322 739 Q HA 0.364 4.703 4.340 -0.001 0.000 0.256 739 Q C -0.705 175.189 176.000 -0.176 0.000 0.960 739 Q CA -0.244 55.375 55.803 -0.307 0.000 0.934 739 Q CB 0.820 29.466 28.738 -0.153 0.000 1.200 739 Q HN 0.347 nan 8.270 nan 0.000 0.435 740 I N 3.955 124.460 120.570 -0.108 0.000 2.395 740 I HA 0.155 4.325 4.170 -0.001 0.000 0.289 740 I C 0.246 176.347 176.117 -0.027 0.000 1.023 740 I CA -0.318 60.950 61.300 -0.053 0.000 1.350 740 I CB 0.733 38.725 38.000 -0.014 0.000 1.409 740 I HN 0.667 nan 8.210 nan 0.000 0.507 741 N N 4.928 123.611 118.700 -0.029 0.000 2.645 741 N HA 0.039 4.778 4.740 -0.001 0.000 0.233 741 N C 1.125 176.594 175.510 -0.067 0.000 1.058 741 N CA -0.115 52.904 53.050 -0.051 0.000 0.942 741 N CB 0.658 39.109 38.487 -0.060 0.000 1.210 741 N HN 0.682 nan 8.380 nan 0.000 0.512 742 T N 0.463 114.987 114.554 -0.049 0.000 2.962 742 T HA -0.048 4.301 4.350 -0.001 0.000 0.270 742 T C 1.759 176.420 174.700 -0.065 0.000 1.088 742 T CA 0.711 62.786 62.100 -0.042 0.000 1.127 742 T CB -0.031 68.828 68.868 -0.016 0.000 0.883 742 T HN 0.393 nan 8.240 nan 0.000 0.493 743 L N 0.305 121.468 121.223 -0.099 0.000 2.307 743 L HA 0.142 4.482 4.340 -0.001 0.000 0.211 743 L C 2.166 178.937 176.870 -0.166 0.000 1.099 743 L CA 0.892 55.664 54.840 -0.112 0.000 0.816 743 L CB -0.225 41.768 42.059 -0.111 0.000 0.952 743 L HN 0.181 nan 8.230 nan 0.000 0.455 744 D N -0.669 119.576 120.400 -0.258 0.000 2.348 744 D HA -0.017 4.622 4.640 -0.001 0.000 0.211 744 D C 0.763 176.964 176.300 -0.165 0.000 0.998 744 D CA 0.160 53.967 54.000 -0.321 0.000 0.873 744 D CB 0.160 40.492 40.800 -0.780 0.000 0.925 744 D HN 0.217 nan 8.370 nan 0.000 0.524 745 C N 1.208 120.438 119.300 -0.116 0.000 2.679 745 C HA 0.042 4.502 4.460 -0.001 0.000 0.417 745 C C 1.640 176.553 174.990 -0.128 0.000 1.302 745 C CA -0.144 58.826 59.018 -0.080 0.000 1.973 745 C CB -0.147 27.565 27.740 -0.045 0.000 2.715 745 C HN 0.189 nan 8.230 nan 0.000 0.628 746 M N 3.754 123.259 119.600 -0.158 0.000 2.333 746 M HA 0.206 4.686 4.480 -0.001 0.000 0.257 746 M C 1.580 177.834 176.300 -0.075 0.000 1.078 746 M CA 1.000 56.194 55.300 -0.177 0.000 1.005 746 M CB -0.919 31.481 32.600 -0.334 0.000 1.444 746 M HN 1.171 nan 8.290 nan 0.000 0.496 747 G N 1.671 110.445 108.800 -0.044 0.000 2.314 747 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.292 747 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.292 747 G C 0.874 175.772 174.900 -0.003 0.000 1.059 747 G CA 0.414 45.505 45.100 -0.016 0.000 0.982 747 G HN 0.670 nan 8.290 nan 0.000 0.505 748 C N -2.202 117.101 119.300 0.005 0.000 2.485 748 C HA 0.561 5.021 4.460 -0.001 0.000 0.278 748 C C 2.497 177.497 174.990 0.017 0.000 1.356 748 C CA 1.010 60.037 59.018 0.015 0.000 1.747 748 C CB -0.577 27.180 27.740 0.028 0.000 2.001 748 C HN 2.443 nan 8.230 nan 0.000 0.501 749 G N 1.296 110.107 108.800 0.019 0.000 2.141 749 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.242 749 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.242 749 G C 0.670 175.584 174.900 0.023 0.000 0.982 749 G CA 0.536 45.648 45.100 0.021 0.000 0.662 749 G HN 0.530 nan 8.290 nan 0.000 0.527 750 N N 0.063 118.777 118.700 0.022 0.000 2.142 750 N HA -0.162 4.578 4.740 -0.001 0.000 0.186 750 N C 2.791 178.316 175.510 0.025 0.000 1.023 750 N CA 2.080 55.143 53.050 0.021 0.000 0.852 750 N CB -0.490 38.005 38.487 0.014 0.000 0.998 750 N HN 0.899 nan 8.380 nan 0.000 0.424 751 C N 0.736 120.052 119.300 0.027 0.000 2.413 751 C HA 0.042 4.501 4.460 -0.001 0.000 0.278 751 C C 2.837 177.851 174.990 0.041 0.000 1.224 751 C CA 0.826 59.864 59.018 0.033 0.000 1.732 751 C CB -1.389 26.370 27.740 0.032 0.000 2.050 751 C HN 0.362 nan 8.230 nan 0.000 0.463 752 A N 1.472 124.318 122.820 0.043 0.000 1.908 752 A HA -0.246 4.073 4.320 -0.001 0.000 0.218 752 A C 1.921 179.527 177.584 0.037 0.000 1.181 752 A CA 2.557 54.622 52.037 0.047 0.000 0.627 752 A CB -1.208 17.817 19.000 0.042 0.000 0.818 752 A HN 0.699 nan 8.150 nan 0.000 0.445 753 D N -0.156 120.262 120.400 0.030 0.000 2.149 753 D HA -0.161 4.478 4.640 -0.001 0.000 0.198 753 D C 1.493 177.807 176.300 0.024 0.000 0.990 753 D CA 1.784 55.800 54.000 0.026 0.000 0.839 753 D CB -0.187 40.627 40.800 0.024 0.000 0.948 753 D HN 0.572 nan 8.370 nan 0.000 0.460 754 I N -1.590 118.995 120.570 0.025 0.000 3.783 754 I HA 0.210 4.379 4.170 -0.001 0.000 0.310 754 I C 0.495 176.624 176.117 0.019 0.000 1.274 754 I CA -0.697 60.614 61.300 0.018 0.000 1.294 754 I CB -0.980 37.028 38.000 0.013 0.000 1.051 754 I HN -0.032 nan 8.210 nan 0.000 0.435 755 C N 4.744 124.065 119.300 0.034 0.000 2.255 755 C HA 0.021 4.481 4.460 -0.001 0.000 0.401 755 C C -0.206 174.803 174.990 0.031 0.000 1.529 755 C CA -0.596 58.450 59.018 0.047 0.000 1.418 755 C CB -0.388 27.395 27.740 0.071 0.000 2.522 755 C HN 0.409 nan 8.230 nan 0.000 0.616 756 P HA -0.129 nan 4.420 nan 0.000 0.216 756 P C -1.661 175.645 177.300 0.009 0.000 1.167 756 P CA 1.700 64.804 63.100 0.007 0.000 0.933 756 P CB -1.116 30.583 31.700 -0.000 0.000 0.793 757 P HA -0.004 nan 4.420 nan 0.000 0.268 757 P C 0.343 177.648 177.300 0.008 0.000 1.204 757 P CA 0.437 63.543 63.100 0.010 0.000 0.768 757 P CB 0.857 32.565 31.700 0.013 0.000 0.842 758 K N 1.099 121.500 120.400 0.003 0.000 2.044 758 K HA -0.124 4.196 4.320 -0.001 0.000 0.210 758 K C 0.659 177.260 176.600 0.001 0.000 1.049 758 K CA 1.261 57.549 56.287 0.002 0.000 0.927 758 K CB -0.088 32.412 32.500 -0.001 0.000 0.713 758 K HN 0.524 nan 8.250 nan 0.000 0.443 759 E N 2.665 122.863 120.200 -0.003 0.000 1.814 759 E HA 0.044 4.394 4.350 -0.001 0.000 0.264 759 E C -0.497 176.100 176.600 -0.005 0.000 1.179 759 E CA 0.031 56.426 56.400 -0.008 0.000 0.972 759 E CB 0.151 29.842 29.700 -0.016 0.000 1.077 759 E HN 0.047 nan 8.360 nan 0.000 0.417 760 K N 0.851 121.254 120.400 0.004 0.000 2.586 760 K HA -0.057 4.263 4.320 -0.001 0.000 0.280 760 K C 0.836 177.443 176.600 0.012 0.000 0.972 760 K CA 0.208 56.505 56.287 0.017 0.000 1.040 760 K CB 0.556 33.070 32.500 0.023 0.000 0.870 760 K HN 0.447 nan 8.250 nan 0.000 0.497 761 A N 3.600 126.446 122.820 0.043 0.000 2.308 761 A HA 0.194 4.514 4.320 -0.001 0.000 0.217 761 A C 0.395 178.053 177.584 0.123 0.000 1.216 761 A CA 0.161 52.221 52.037 0.039 0.000 0.864 761 A CB 0.262 19.330 19.000 0.113 0.000 0.902 761 A HN 0.519 nan 8.150 nan 0.000 0.499 762 L N 0.618 121.912 121.223 0.119 0.000 2.409 762 L HA 0.558 4.897 4.340 -0.001 0.000 0.272 762 L C -1.502 175.412 176.870 0.073 0.000 0.980 762 L CA -0.708 54.212 54.840 0.133 0.000 0.826 762 L CB 2.435 44.578 42.059 0.139 0.000 1.268 762 L HN -0.084 nan 8.230 nan 0.000 0.407 763 V N 3.465 123.416 119.914 0.062 0.000 2.638 763 V HA 0.443 4.563 4.120 -0.001 0.000 0.306 763 V C 0.049 176.165 176.094 0.037 0.000 1.052 763 V CA -0.723 61.600 62.300 0.038 0.000 0.885 763 V CB 2.182 34.019 31.823 0.023 0.000 0.999 763 V HN 0.628 nan 8.190 nan 0.000 0.424 764 M N 4.600 124.218 119.600 0.029 0.000 2.219 764 M HA 0.425 4.905 4.480 -0.001 0.000 0.353 764 M C -0.253 176.059 176.300 0.020 0.000 1.304 764 M CA 0.437 55.751 55.300 0.024 0.000 1.115 764 M CB 0.349 32.961 32.600 0.019 0.000 1.664 764 M HN 0.636 nan 8.290 nan 0.000 0.459 765 Q N 2.589 122.401 119.800 0.020 0.000 2.456 765 Q HA 0.588 4.928 4.340 -0.001 0.000 0.284 765 Q C -2.557 173.452 176.000 0.015 0.000 1.061 765 Q CA -1.955 53.858 55.803 0.017 0.000 0.799 765 Q CB 1.387 30.137 28.738 0.020 0.000 1.445 765 Q HN 0.317 nan 8.270 nan 0.000 0.411 766 P HA -0.025 nan 4.420 nan 0.000 0.266 766 P C 0.867 178.176 177.300 0.014 0.000 1.195 766 P CA -0.167 62.940 63.100 0.013 0.000 0.768 766 P CB 0.520 32.228 31.700 0.013 0.000 0.838 767 L N 3.663 124.893 121.223 0.011 0.000 2.051 767 L HA -0.244 4.096 4.340 -0.001 0.000 0.214 767 L C 1.445 178.325 176.870 0.017 0.000 1.076 767 L CA 2.122 56.968 54.840 0.011 0.000 0.758 767 L CB -1.095 40.968 42.059 0.007 0.000 0.890 767 L HN 0.330 nan 8.230 nan 0.000 0.433 768 D N -0.820 119.593 120.400 0.021 0.000 2.117 768 D HA -0.181 4.459 4.640 -0.001 0.000 0.197 768 D C 2.050 178.365 176.300 0.026 0.000 0.987 768 D CA 2.080 56.097 54.000 0.027 0.000 0.829 768 D CB -0.422 40.398 40.800 0.034 0.000 0.961 768 D HN 0.593 nan 8.370 nan 0.000 0.460 769 T N -1.571 112.997 114.554 0.023 0.000 3.155 769 T HA -0.084 4.265 4.350 -0.001 0.000 0.264 769 T C 1.443 176.157 174.700 0.023 0.000 1.160 769 T CA 0.814 62.928 62.100 0.022 0.000 1.075 769 T CB 0.211 69.090 68.868 0.020 0.000 0.921 769 T HN -0.002 nan 8.240 nan 0.000 0.533 770 Q N 0.473 120.286 119.800 0.023 0.000 2.471 770 Q HA 0.199 4.539 4.340 -0.001 0.000 0.259 770 Q C 2.543 178.557 176.000 0.024 0.000 0.850 770 Q CA 0.520 56.338 55.803 0.025 0.000 0.981 770 Q CB 0.005 28.757 28.738 0.024 0.000 1.180 770 Q HN 0.746 nan 8.270 nan 0.000 0.571 771 R N 1.314 121.826 120.500 0.019 0.000 2.080 771 R HA -0.140 4.200 4.340 -0.001 0.000 0.236 771 R C 1.033 177.345 176.300 0.021 0.000 1.137 771 R CA 1.831 57.941 56.100 0.017 0.000 0.943 771 R CB -0.601 29.707 30.300 0.013 0.000 0.846 771 R HN -0.026 nan 8.270 nan 0.000 0.431 772 D N 1.266 121.680 120.400 0.022 0.000 2.172 772 D HA -0.173 4.467 4.640 -0.001 0.000 0.196 772 D C 1.925 178.241 176.300 0.027 0.000 0.999 772 D CA 1.997 56.010 54.000 0.022 0.000 0.856 772 D CB -0.198 40.614 40.800 0.020 0.000 0.934 772 D HN 0.529 nan 8.370 nan 0.000 0.453 773 A N 0.337 123.176 122.820 0.032 0.000 1.878 773 A HA -0.081 4.238 4.320 -0.001 0.000 0.213 773 A C 2.061 179.680 177.584 0.058 0.000 1.192 773 A CA 0.760 52.823 52.037 0.043 0.000 0.619 773 A CB -0.083 18.942 19.000 0.042 0.000 0.837 773 A HN -0.006 nan 8.150 nan 0.000 0.446 774 Q N -0.201 119.630 119.800 0.051 0.000 2.331 774 Q HA 0.046 4.385 4.340 -0.001 0.000 0.203 774 Q C 2.162 178.193 176.000 0.053 0.000 0.944 774 Q CA 0.910 56.748 55.803 0.059 0.000 0.892 774 Q CB -0.663 28.099 28.738 0.041 0.000 0.983 774 Q HN 0.432 nan 8.270 nan 0.000 0.482 775 V N 2.687 122.622 119.914 0.034 0.000 2.295 775 V HA -0.181 3.938 4.120 -0.001 0.000 0.246 775 V C -0.563 175.556 176.094 0.041 0.000 1.049 775 V CA 2.234 64.547 62.300 0.022 0.000 1.024 775 V CB -1.589 30.241 31.823 0.011 0.000 0.648 775 V HN 0.273 nan 8.190 nan 0.000 0.447 776 P HA -0.124 nan 4.420 nan 0.000 0.221 776 P C 1.145 178.508 177.300 0.105 0.000 1.150 776 P CA 1.439 64.575 63.100 0.059 0.000 0.800 776 P CB -0.170 31.553 31.700 0.038 0.000 0.787 777 N N -0.136 118.652 118.700 0.148 0.000 2.106 777 N HA -0.070 4.669 4.740 -0.001 0.000 0.188 777 N C 1.921 177.622 175.510 0.320 0.000 1.029 777 N CA 0.274 53.500 53.050 0.294 0.000 0.848 777 N CB -0.395 38.285 38.487 0.321 0.000 1.007 777 N HN 0.026 nan 8.380 nan 0.000 0.423 778 L N 1.916 123.248 121.223 0.180 0.000 2.093 778 L HA -0.103 4.237 4.340 -0.001 0.000 0.208 778 L C 1.674 178.600 176.870 0.093 0.000 1.085 778 L CA 1.811 56.726 54.840 0.124 0.000 0.755 778 L CB -0.586 41.500 42.059 0.045 0.000 0.904 778 L HN 0.180 nan 8.230 nan 0.000 0.435 779 E N -0.800 119.447 120.200 0.078 0.000 2.204 779 E HA -0.253 4.097 4.350 -0.001 0.000 0.195 779 E C 1.891 178.520 176.600 0.049 0.000 0.990 779 E CA 1.088 57.516 56.400 0.047 0.000 0.821 779 E CB -0.361 29.365 29.700 0.043 0.000 0.750 779 E HN 0.626 nan 8.360 nan 0.000 0.477 780 Y N 0.951 121.217 120.300 -0.058 0.000 2.231 780 Y HA 0.020 4.570 4.550 -0.001 0.000 0.294 780 Y C 2.267 178.074 175.900 -0.155 0.000 1.120 780 Y CA 1.239 59.242 58.100 -0.160 0.000 1.141 780 Y CB -0.341 37.922 38.460 -0.329 0.000 1.022 780 Y HN -0.017 nan 8.280 nan 0.000 0.523 781 A N 0.795 123.610 122.820 -0.009 0.000 1.902 781 A HA -0.137 4.183 4.320 -0.001 0.000 0.217 781 A C 2.385 179.934 177.584 -0.059 0.000 1.181 781 A CA 1.865 53.927 52.037 0.042 0.000 0.623 781 A CB -1.539 17.646 19.000 0.309 0.000 0.818 781 A HN 0.594 nan 8.150 nan 0.000 0.443 782 A N -0.475 122.322 122.820 -0.037 0.000 2.084 782 A HA -0.189 4.130 4.320 -0.001 0.000 0.221 782 A C 2.107 179.636 177.584 -0.091 0.000 1.161 782 A CA 1.817 53.827 52.037 -0.045 0.000 0.653 782 A CB -0.380 18.604 19.000 -0.027 0.000 0.802 782 A HN 0.526 nan 8.150 nan 0.000 0.457 783 R N -0.997 119.403 120.500 -0.168 0.000 2.317 783 R HA 0.332 4.672 4.340 -0.001 0.000 0.208 783 R C -0.247 175.922 176.300 -0.218 0.000 0.914 783 R CA -0.024 55.960 56.100 -0.193 0.000 1.060 783 R CB 0.049 30.205 30.300 -0.241 0.000 1.015 783 R HN 0.461 nan 8.270 nan 0.000 0.498 784 I N 2.565 123.006 120.570 -0.215 0.000 2.337 784 I HA 0.171 4.341 4.170 -0.001 0.000 0.291 784 I C -2.018 174.048 176.117 -0.085 0.000 1.046 784 I CA -2.339 58.863 61.300 -0.162 0.000 1.324 784 I CB 1.116 39.042 38.000 -0.124 0.000 1.409 784 I HN -0.230 nan 8.210 nan 0.000 0.494 785 P HA -0.065 nan 4.420 nan 0.000 0.263 785 P C -0.592 176.683 177.300 -0.043 0.000 1.168 785 P CA 0.020 63.093 63.100 -0.045 0.000 0.759 785 P CB 0.280 31.961 31.700 -0.033 0.000 0.782 786 V N 5.261 125.153 119.914 -0.036 0.000 2.488 786 V HA 0.070 4.190 4.120 -0.001 0.000 0.277 786 V C 0.909 176.969 176.094 -0.057 0.000 1.046 786 V CA -0.095 62.185 62.300 -0.033 0.000 0.986 786 V CB 0.524 32.344 31.823 -0.005 0.000 0.989 786 V HN 0.384 nan 8.190 nan 0.000 0.475 787 K N 3.744 124.065 120.400 -0.132 0.000 2.187 787 K HA 0.158 4.478 4.320 -0.001 0.000 0.242 787 K C 1.261 177.790 176.600 -0.119 0.000 1.179 787 K CA 0.101 56.276 56.287 -0.188 0.000 1.097 787 K CB 0.397 32.653 32.500 -0.406 0.000 1.634 787 K HN 0.847 nan 8.250 nan 0.000 0.335 788 S N 0.072 115.752 115.700 -0.033 0.000 2.470 788 S HA -0.019 4.451 4.470 -0.001 0.000 0.225 788 S C 1.080 175.685 174.600 0.009 0.000 1.006 788 S CA 0.269 58.478 58.200 0.016 0.000 0.934 788 S CB 0.169 63.376 63.200 0.013 0.000 0.778 788 S HN 0.313 nan 8.310 nan 0.000 0.517 789 E N 1.254 121.445 120.200 -0.014 0.000 2.478 789 E HA 0.181 4.531 4.350 -0.001 0.000 0.194 789 E C 1.932 178.526 176.600 -0.010 0.000 1.045 789 E CA 0.146 56.544 56.400 -0.004 0.000 0.868 789 E CB -0.212 29.489 29.700 0.002 0.000 0.885 789 E HN 0.441 nan 8.360 nan 0.000 0.505 790 V N 0.610 120.492 119.914 -0.052 0.000 2.323 790 V HA -0.092 4.028 4.120 -0.001 0.000 0.244 790 V C 1.404 177.496 176.094 -0.002 0.000 1.041 790 V CA 1.217 63.471 62.300 -0.078 0.000 1.025 790 V CB -0.091 31.561 31.823 -0.285 0.000 0.656 790 V HN 0.102 nan 8.190 nan 0.000 0.451 791 L N -1.118 120.140 121.223 0.058 0.000 2.301 791 L HA 0.473 4.813 4.340 -0.001 0.000 0.264 791 L C -2.572 174.336 176.870 0.063 0.000 1.016 791 L CA -2.033 52.859 54.840 0.085 0.000 0.821 791 L CB 1.670 43.827 42.059 0.163 0.000 1.346 791 L HN -0.029 nan 8.230 nan 0.000 0.429 792 P HA 0.064 nan 4.420 nan 0.000 0.264 792 P C 0.041 177.354 177.300 0.020 0.000 1.193 792 P CA 0.062 63.177 63.100 0.026 0.000 0.763 792 P CB 0.599 32.310 31.700 0.018 0.000 0.810 793 R N 3.341 123.847 120.500 0.009 0.000 2.105 793 R HA -0.161 4.178 4.340 -0.001 0.000 0.239 793 R C 0.705 176.980 176.300 -0.042 0.000 1.135 793 R CA 1.859 57.949 56.100 -0.015 0.000 0.967 793 R CB -0.142 30.138 30.300 -0.032 0.000 0.861 793 R HN 0.527 nan 8.270 nan 0.000 0.442 794 D N -0.101 120.279 120.400 -0.033 0.000 2.491 794 D HA 0.001 4.640 4.640 -0.001 0.000 0.228 794 D C -0.519 175.775 176.300 -0.011 0.000 1.183 794 D CA -0.284 53.694 54.000 -0.038 0.000 0.827 794 D CB 0.233 41.015 40.800 -0.030 0.000 0.989 794 D HN 0.135 nan 8.370 nan 0.000 0.494 795 S N -1.022 114.673 115.700 -0.009 0.000 2.565 795 S HA 0.334 4.804 4.470 -0.001 0.000 0.290 795 S C 1.209 175.789 174.600 -0.035 0.000 1.150 795 S CA -0.937 57.251 58.200 -0.021 0.000 1.058 795 S CB 2.114 65.302 63.200 -0.021 0.000 1.032 795 S HN 0.143 nan 8.310 nan 0.000 0.510 796 L N 1.541 122.712 121.223 -0.085 0.000 1.965 796 L HA -0.227 4.113 4.340 -0.001 0.000 0.226 796 L C 2.763 179.558 176.870 -0.125 0.000 1.083 796 L CA 2.185 56.925 54.840 -0.166 0.000 0.790 796 L CB -0.484 41.415 42.059 -0.267 0.000 0.898 796 L HN 0.996 nan 8.230 nan 0.000 0.439 797 K N -0.792 119.507 120.400 -0.168 0.000 2.032 797 K HA -0.184 4.136 4.320 -0.001 0.000 0.209 797 K C 1.873 178.250 176.600 -0.372 0.000 1.048 797 K CA 1.574 57.694 56.287 -0.277 0.000 0.927 797 K CB -0.461 31.896 32.500 -0.237 0.000 0.712 797 K HN 0.566 nan 8.250 nan 0.000 0.441 798 G N 0.390 109.095 108.800 -0.158 0.000 2.440 798 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.218 798 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.218 798 G C 1.516 176.396 174.900 -0.032 0.000 1.154 798 G CA 1.268 46.344 45.100 -0.039 0.000 0.767 798 G HN 0.517 nan 8.290 nan 0.000 0.552 799 S N 0.165 115.848 115.700 -0.028 0.000 2.383 799 S HA -0.146 4.323 4.470 -0.001 0.000 0.229 799 S C 2.034 176.613 174.600 -0.035 0.000 1.030 799 S CA 1.489 59.682 58.200 -0.011 0.000 1.002 799 S CB -0.266 62.977 63.200 0.071 0.000 0.829 799 S HN 0.314 nan 8.310 nan 0.000 0.467 800 Q N 0.144 119.894 119.800 -0.084 0.000 2.482 800 Q HA 0.271 4.611 4.340 -0.001 0.000 0.209 800 Q C 0.805 176.785 176.000 -0.033 0.000 0.961 800 Q CA 0.453 56.193 55.803 -0.106 0.000 0.945 800 Q CB -0.550 28.102 28.738 -0.143 0.000 1.012 800 Q HN 0.799 nan 8.270 nan 0.000 0.515 801 F N 0.386 120.334 119.950 -0.004 0.000 2.660 801 F HA 0.118 4.645 4.527 -0.001 0.000 0.302 801 F C 0.821 176.597 175.800 -0.039 0.000 1.103 801 F CA -0.547 57.440 58.000 -0.021 0.000 1.340 801 F CB 0.781 39.764 39.000 -0.029 0.000 1.048 801 F HN -0.070 nan 8.300 nan 0.000 0.551 802 Q N 0.664 120.529 119.800 0.109 0.000 2.241 802 Q HA 0.248 4.588 4.340 -0.001 0.000 0.262 802 Q C -0.378 175.619 176.000 -0.004 0.000 1.014 802 Q CA -0.507 55.313 55.803 0.028 0.000 0.885 802 Q CB 1.390 30.112 28.738 -0.025 0.000 1.311 802 Q HN 0.284 nan 8.270 nan 0.000 0.461 803 E N 3.266 123.451 120.200 -0.024 0.000 2.217 803 E HA 0.165 4.515 4.350 -0.001 0.000 0.279 803 E C -2.074 174.481 176.600 -0.076 0.000 1.068 803 E CA -1.554 54.819 56.400 -0.044 0.000 0.882 803 E CB 0.620 30.297 29.700 -0.038 0.000 1.039 803 E HN 0.177 nan 8.360 nan 0.000 0.418 804 P HA 0.028 nan 4.420 nan 0.000 0.276 804 P C -0.124 177.088 177.300 -0.148 0.000 1.235 804 P CA 0.128 63.140 63.100 -0.146 0.000 0.772 804 P CB 0.776 32.367 31.700 -0.182 0.000 0.871 805 L N 3.024 124.177 121.223 -0.117 0.000 2.928 805 L HA 0.360 4.700 4.340 -0.001 0.000 0.246 805 L C 0.771 177.577 176.870 -0.106 0.000 1.239 805 L CA 0.223 55.018 54.840 -0.075 0.000 1.035 805 L CB 0.013 42.078 42.059 0.011 0.000 1.360 805 L HN 0.368 nan 8.230 nan 0.000 0.529 806 M N 1.594 121.039 119.600 -0.259 0.000 2.213 806 M HA 0.385 4.865 4.480 -0.001 0.000 0.243 806 M C -1.623 174.407 176.300 -0.451 0.000 0.979 806 M CA 0.133 55.159 55.300 -0.456 0.000 1.037 806 M CB 1.433 33.662 32.600 -0.617 0.000 2.200 806 M HN 0.117 nan 8.290 nan 0.000 0.465 807 E N 3.874 123.769 120.200 -0.509 0.000 2.343 807 E HA 0.585 4.935 4.350 -0.001 0.000 0.270 807 E C -0.745 175.505 176.600 -0.584 0.000 0.895 807 E CA -0.916 55.019 56.400 -0.775 0.000 0.767 807 E CB 1.755 30.574 29.700 -1.468 0.000 1.248 807 E HN 0.645 nan 8.360 nan 0.000 0.440 808 F N 0.142 120.080 119.950 -0.020 0.000 3.027 808 F HA -0.271 4.255 4.527 -0.001 0.000 0.276 808 F C 0.797 176.669 175.800 0.120 0.000 0.967 808 F CA 0.100 58.151 58.000 0.084 0.000 0.929 808 F CB -1.818 37.204 39.000 0.037 0.000 0.873 808 F HN 0.376 nan 8.300 nan 0.000 0.787 809 S N 0.488 116.292 115.700 0.174 0.000 2.624 809 S HA 0.525 4.995 4.470 -0.001 0.000 0.263 809 S C 1.254 176.012 174.600 0.263 0.000 1.287 809 S CA -0.177 58.112 58.200 0.149 0.000 0.990 809 S CB 1.724 64.916 63.200 -0.013 0.000 0.950 809 S HN 0.507 nan 8.310 nan 0.000 0.561 810 G N -0.248 108.714 108.800 0.270 0.000 3.327 810 G HA2 0.472 4.431 3.960 -0.001 0.000 0.240 810 G HA3 0.472 4.431 3.960 -0.001 0.000 0.240 810 G C 0.453 175.516 174.900 0.272 0.000 1.222 810 G CA -0.005 45.253 45.100 0.263 0.000 0.871 810 G HN 1.097 nan 8.290 nan 0.000 0.525 811 A N -0.576 122.368 122.820 0.206 0.000 2.386 811 A HA 0.457 4.776 4.320 -0.001 0.000 0.246 811 A C 0.862 178.553 177.584 0.179 0.000 1.089 811 A CA -0.324 51.750 52.037 0.061 0.000 0.790 811 A CB 0.120 18.808 19.000 -0.521 0.000 1.042 811 A HN 0.363 nan 8.150 nan 0.000 0.497 812 C N 0.383 119.755 119.300 0.119 0.000 2.727 812 C HA 0.343 4.803 4.460 -0.001 0.000 0.401 812 C C 1.545 176.636 174.990 0.167 0.000 1.294 812 C CA -0.177 58.913 59.018 0.119 0.000 2.134 812 C CB -0.071 27.716 27.740 0.078 0.000 2.724 812 C HN 0.896 nan 8.230 nan 0.000 0.677 813 S N 0.795 116.559 115.700 0.106 0.000 2.525 813 S HA 0.388 4.857 4.470 -0.001 0.000 0.285 813 S C 1.228 175.878 174.600 0.082 0.000 1.283 813 S CA 0.891 59.140 58.200 0.082 0.000 1.072 813 S CB -0.301 62.906 63.200 0.011 0.000 0.867 813 S HN 1.886 nan 8.310 nan 0.000 0.492 814 G N 3.105 111.963 108.800 0.097 0.000 2.148 814 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.254 814 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.254 814 G C 0.635 175.537 174.900 0.003 0.000 0.981 814 G CA 0.051 45.175 45.100 0.040 0.000 0.670 814 G HN 1.202 nan 8.290 nan 0.000 0.528 815 C N 1.190 120.481 119.300 -0.015 0.000 2.465 815 C HA 0.433 4.893 4.460 -0.001 0.000 0.402 815 C C 2.241 177.183 174.990 -0.080 0.000 1.448 815 C CA 1.125 60.104 59.018 -0.065 0.000 1.589 815 C CB -0.145 27.493 27.740 -0.170 0.000 2.535 815 C HN 1.089 nan 8.230 nan 0.000 0.600 816 G N 3.444 112.226 108.800 -0.030 0.000 2.744 816 G HA2 -0.016 3.944 3.960 -0.001 0.000 0.211 816 G HA3 -0.016 3.944 3.960 -0.001 0.000 0.211 816 G C 1.293 176.260 174.900 0.112 0.000 1.143 816 G CA 0.489 45.597 45.100 0.013 0.000 0.788 816 G HN 0.924 nan 8.290 nan 0.000 0.534 817 E N 0.500 120.744 120.200 0.074 0.000 2.075 817 E HA -0.081 4.268 4.350 -0.001 0.000 0.190 817 E C 2.801 179.471 176.600 0.116 0.000 0.969 817 E CA 1.275 57.795 56.400 0.200 0.000 0.815 817 E CB -0.370 29.518 29.700 0.315 0.000 0.776 817 E HN 0.455 nan 8.360 nan 0.000 0.457 818 T N 0.087 114.479 114.554 -0.270 0.000 2.778 818 T HA -0.121 4.229 4.350 -0.001 0.000 0.269 818 T C -1.081 173.445 174.700 -0.290 0.000 1.050 818 T CA 0.909 62.713 62.100 -0.494 0.000 1.137 818 T CB -1.436 66.897 68.868 -0.890 0.000 0.860 818 T HN -0.004 nan 8.240 nan 0.000 0.468 819 P HA -0.024 nan 4.420 nan 0.000 0.216 819 P C 0.945 178.086 177.300 -0.266 0.000 1.153 819 P CA 0.982 63.901 63.100 -0.301 0.000 0.848 819 P CB -0.239 31.248 31.700 -0.355 0.000 0.787 820 Y N -0.861 119.361 120.300 -0.129 0.000 2.128 820 Y HA -0.189 4.360 4.550 -0.001 0.000 0.284 820 Y C 2.388 178.251 175.900 -0.061 0.000 1.154 820 Y CA 0.957 59.017 58.100 -0.068 0.000 1.149 820 Y CB -1.500 37.013 38.460 0.087 0.000 0.976 820 Y HN -0.259 nan 8.280 nan 0.000 0.505 821 V N 0.213 120.192 119.914 0.108 0.000 2.407 821 V HA -0.307 3.813 4.120 -0.001 0.000 0.248 821 V C 2.402 178.492 176.094 -0.006 0.000 1.055 821 V CA 2.085 64.412 62.300 0.045 0.000 1.049 821 V CB -0.640 31.337 31.823 0.256 0.000 0.662 821 V HN 0.329 nan 8.190 nan 0.000 0.455 822 R N -0.048 120.382 120.500 -0.116 0.000 2.073 822 R HA -0.147 4.193 4.340 -0.001 0.000 0.234 822 R C 2.202 178.376 176.300 -0.209 0.000 1.134 822 R CA 1.848 57.833 56.100 -0.192 0.000 0.952 822 R CB -0.349 29.791 30.300 -0.266 0.000 0.850 822 R HN 0.380 nan 8.270 nan 0.000 0.433 823 V N 1.289 121.055 119.914 -0.246 0.000 2.295 823 V HA -0.254 3.865 4.120 -0.001 0.000 0.246 823 V C 2.366 178.302 176.094 -0.264 0.000 1.049 823 V CA 1.946 64.057 62.300 -0.315 0.000 1.024 823 V CB -0.391 31.219 31.823 -0.356 0.000 0.648 823 V HN 0.351 nan 8.190 nan 0.000 0.447 824 I N 1.191 121.640 120.570 -0.201 0.000 2.194 824 I HA -0.309 3.861 4.170 -0.001 0.000 0.246 824 I C 2.757 178.733 176.117 -0.234 0.000 1.093 824 I CA 2.214 63.351 61.300 -0.271 0.000 1.355 824 I CB -0.886 36.923 38.000 -0.318 0.000 1.046 824 I HN 0.557 nan 8.210 nan 0.000 0.413 825 T N -1.611 112.873 114.554 -0.116 0.000 2.833 825 T HA -0.225 4.125 4.350 -0.001 0.000 0.269 825 T C 1.736 176.352 174.700 -0.140 0.000 1.054 825 T CA 1.104 63.166 62.100 -0.063 0.000 1.135 825 T CB -0.451 68.423 68.868 0.010 0.000 0.869 825 T HN 0.426 nan 8.240 nan 0.000 0.466 826 Q N 0.141 119.824 119.800 -0.195 0.000 2.291 826 Q HA 0.077 4.417 4.340 -0.001 0.000 0.206 826 Q C 1.824 177.664 176.000 -0.268 0.000 0.976 826 Q CA 0.912 56.597 55.803 -0.196 0.000 0.875 826 Q CB -0.198 28.423 28.738 -0.196 0.000 0.927 826 Q HN 0.418 nan 8.270 nan 0.000 0.450 827 L N -2.309 118.635 121.223 -0.466 0.000 2.408 827 L HA 0.095 4.434 4.340 -0.001 0.000 0.215 827 L C 0.809 177.130 176.870 -0.916 0.000 1.081 827 L CA 1.208 55.567 54.840 -0.802 0.000 0.840 827 L CB 0.455 41.769 42.059 -1.243 0.000 1.002 827 L HN 0.141 nan 8.230 nan 0.000 0.468 828 F N -2.998 116.934 119.950 -0.031 0.000 2.925 828 F HA 0.324 4.851 4.527 -0.001 0.000 0.355 828 F C 2.105 177.906 175.800 0.002 0.000 1.073 828 F CA 0.183 58.196 58.000 0.021 0.000 1.127 828 F CB -0.712 38.343 39.000 0.091 0.000 1.123 828 F HN -0.096 nan 8.300 nan 0.000 0.551 829 G N 1.930 110.774 108.800 0.073 0.000 2.728 829 G HA2 -0.403 3.556 3.960 -0.001 0.000 0.224 829 G HA3 -0.403 3.556 3.960 -0.001 0.000 0.224 829 G C 1.636 176.570 174.900 0.056 0.000 1.139 829 G CA 1.882 47.017 45.100 0.059 0.000 0.761 829 G HN 0.465 nan 8.290 nan 0.000 0.621 830 E N 1.421 121.650 120.200 0.048 0.000 2.409 830 E HA -0.170 4.179 4.350 -0.001 0.000 0.198 830 E C 1.894 178.510 176.600 0.027 0.000 1.024 830 E CA 1.180 57.599 56.400 0.031 0.000 0.861 830 E CB -0.234 29.483 29.700 0.029 0.000 0.788 830 E HN 0.747 nan 8.360 nan 0.000 0.521 831 R N 0.596 121.137 120.500 0.068 0.000 2.642 831 R HA 0.326 4.666 4.340 -0.001 0.000 0.435 831 R C 0.596 176.930 176.300 0.057 0.000 1.046 831 R CA -0.325 55.805 56.100 0.051 0.000 1.103 831 R CB -0.248 30.120 30.300 0.114 0.000 1.425 831 R HN 0.104 nan 8.270 nan 0.000 0.586 832 M N -0.637 118.984 119.600 0.036 0.000 2.537 832 M HA 0.567 5.046 4.480 -0.001 0.000 0.324 832 M C -1.487 174.763 176.300 -0.084 0.000 1.187 832 M CA -0.683 54.678 55.300 0.101 0.000 0.993 832 M CB 1.452 34.163 32.600 0.185 0.000 1.666 832 M HN -0.178 nan 8.290 nan 0.000 0.461 833 F N 1.733 121.712 119.950 0.048 0.000 2.480 833 F HA 0.668 5.195 4.527 -0.001 0.000 0.329 833 F C -0.429 175.293 175.800 -0.131 0.000 1.091 833 F CA -0.566 57.397 58.000 -0.061 0.000 0.972 833 F CB 1.907 40.852 39.000 -0.092 0.000 1.150 833 F HN 0.464 nan 8.300 nan 0.000 0.467 834 I N 2.843 123.353 120.570 -0.101 0.000 2.439 834 I HA 0.477 4.647 4.170 -0.001 0.000 0.285 834 I C -0.688 175.132 176.117 -0.495 0.000 1.021 834 I CA -0.815 60.246 61.300 -0.397 0.000 1.091 834 I CB 1.779 39.388 38.000 -0.651 0.000 1.242 834 I HN 0.645 nan 8.210 nan 0.000 0.439 835 A N 6.023 128.615 122.820 -0.378 0.000 2.280 835 A HA 0.414 4.734 4.320 -0.001 0.000 0.320 835 A C -0.479 176.910 177.584 -0.325 0.000 1.366 835 A CA -0.494 51.375 52.037 -0.280 0.000 0.938 835 A CB 0.158 19.064 19.000 -0.157 0.000 1.157 835 A HN 0.701 nan 8.150 nan 0.000 0.536 836 N N 2.206 120.591 118.700 -0.524 0.000 2.425 836 N HA 0.486 5.226 4.740 -0.001 0.000 0.268 836 N C 0.014 175.340 175.510 -0.306 0.000 0.991 836 N CA -0.009 52.784 53.050 -0.428 0.000 0.931 836 N CB 1.731 39.846 38.487 -0.620 0.000 1.130 836 N HN 0.690 nan 8.380 nan 0.000 0.493 837 A N 2.740 125.369 122.820 -0.318 0.000 2.445 837 A HA 0.221 4.541 4.320 -0.001 0.000 0.242 837 A C 0.499 178.087 177.584 0.006 0.000 1.075 837 A CA 0.030 51.912 52.037 -0.257 0.000 0.777 837 A CB -0.042 18.598 19.000 -0.600 0.000 1.013 837 A HN 0.639 nan 8.150 nan 0.000 0.493 838 T N 1.309 115.952 114.554 0.148 0.000 2.946 838 T HA 0.494 4.844 4.350 -0.001 0.000 0.311 838 T C 0.748 175.461 174.700 0.023 0.000 1.063 838 T CA 1.125 63.274 62.100 0.082 0.000 1.139 838 T CB 0.469 69.382 68.868 0.075 0.000 0.994 838 T HN 1.757 nan 8.240 nan 0.000 0.547 839 G N 0.377 109.148 108.800 -0.048 0.000 2.356 839 G HA2 0.100 4.060 3.960 -0.001 0.000 0.288 839 G HA3 0.100 4.060 3.960 -0.001 0.000 0.288 839 G C 0.817 175.690 174.900 -0.045 0.000 1.302 839 G CA -0.266 44.804 45.100 -0.050 0.000 0.887 839 G HN 0.674 nan 8.290 nan 0.000 0.521 840 C N 0.427 119.731 119.300 0.008 0.000 2.385 840 C HA -0.094 4.366 4.460 -0.001 0.000 0.275 840 C C 3.423 178.209 174.990 -0.341 0.000 1.207 840 C CA 2.883 61.918 59.018 0.027 0.000 1.760 840 C CB -1.347 26.524 27.740 0.218 0.000 2.051 840 C HN 1.072 nan 8.230 nan 0.000 0.467 841 S N 1.103 116.575 115.700 -0.380 0.000 2.399 841 S HA -0.163 4.307 4.470 -0.001 0.000 0.231 841 S C 1.706 175.831 174.600 -0.792 0.000 1.022 841 S CA 1.809 59.407 58.200 -1.003 0.000 0.983 841 S CB -0.684 62.386 63.200 -0.217 0.000 0.803 841 S HN 0.815 nan 8.310 nan 0.000 0.480 842 S N 1.245 116.811 115.700 -0.223 0.000 2.446 842 S HA 0.171 4.640 4.470 -0.001 0.000 0.225 842 S C 1.767 176.332 174.600 -0.059 0.000 1.016 842 S CA 0.182 58.444 58.200 0.104 0.000 0.943 842 S CB -0.460 62.855 63.200 0.193 0.000 0.786 842 S HN 0.370 nan 8.310 nan 0.000 0.508 843 I N 2.302 122.787 120.570 -0.141 0.000 2.193 843 I HA -0.013 4.157 4.170 -0.001 0.000 0.240 843 I C 2.644 178.777 176.117 0.026 0.000 1.084 843 I CA 0.915 62.190 61.300 -0.042 0.000 1.365 843 I CB -1.669 36.335 38.000 0.006 0.000 1.064 843 I HN 0.651 nan 8.210 nan 0.000 0.410 844 W N 1.104 122.452 121.300 0.080 0.000 2.518 844 W HA 0.150 4.810 4.660 -0.001 0.000 0.273 844 W C 1.948 178.478 176.519 0.019 0.000 1.247 844 W CA 0.676 58.053 57.345 0.053 0.000 1.288 844 W CB -1.514 27.976 29.460 0.050 0.000 1.107 844 W HN 0.104 nan 8.180 nan 0.000 0.586 845 G N 1.587 110.255 108.800 -0.220 0.000 2.418 845 G HA2 0.040 4.000 3.960 -0.001 0.000 0.217 845 G HA3 0.040 4.000 3.960 -0.001 0.000 0.217 845 G C 1.010 175.692 174.900 -0.363 0.000 1.158 845 G CA 1.726 46.673 45.100 -0.255 0.000 0.771 845 G HN 0.396 nan 8.290 nan 0.000 0.545 846 A N -0.375 122.257 122.820 -0.313 0.000 3.455 846 A HA 0.582 4.901 4.320 -0.001 0.000 0.225 846 A C -0.012 177.481 177.584 -0.152 0.000 1.052 846 A CA -0.290 51.561 52.037 -0.311 0.000 1.005 846 A CB 0.148 18.776 19.000 -0.619 0.000 1.318 846 A HN 0.074 nan 8.150 nan 0.000 0.639 847 S N 1.779 117.439 115.700 -0.067 0.000 2.416 847 S HA 0.519 4.988 4.470 -0.001 0.000 0.287 847 S C 0.826 175.375 174.600 -0.086 0.000 1.139 847 S CA 0.146 58.320 58.200 -0.043 0.000 1.058 847 S CB 0.870 64.088 63.200 0.031 0.000 0.967 847 S HN 1.196 nan 8.310 nan 0.000 0.495 848 A N 5.277 127.978 122.820 -0.199 0.000 2.531 848 A HA 0.302 4.622 4.320 -0.001 0.000 0.236 848 A C -1.081 176.475 177.584 -0.047 0.000 1.062 848 A CA -0.740 51.111 52.037 -0.310 0.000 0.760 848 A CB -0.107 18.608 19.000 -0.474 0.000 0.995 848 A HN 0.631 nan 8.150 nan 0.000 0.501 849 P HA 0.116 nan 4.420 nan 0.000 0.269 849 P C 0.002 177.428 177.300 0.209 0.000 1.478 849 P CA 0.029 63.223 63.100 0.156 0.000 1.045 849 P CB 0.291 32.175 31.700 0.307 0.000 1.512 850 S N 1.477 117.260 115.700 0.139 0.000 2.400 850 S HA 0.440 4.910 4.470 -0.001 0.000 0.295 850 S C 0.138 174.828 174.600 0.149 0.000 1.113 850 S CA -0.502 57.816 58.200 0.198 0.000 1.064 850 S CB -0.391 62.924 63.200 0.192 0.000 0.990 850 S HN -0.096 nan 8.310 nan 0.000 0.502 851 M N 8.192 127.916 119.600 0.205 0.000 2.047 851 M HA 0.323 4.802 4.480 -0.001 0.000 0.342 851 M C -1.831 174.552 176.300 0.137 0.000 1.058 851 M CA -2.741 52.644 55.300 0.142 0.000 0.991 851 M CB 1.121 33.838 32.600 0.195 0.000 1.474 851 M HN 0.410 nan 8.290 nan 0.000 0.419 852 P HA -0.084 nan 4.420 nan 0.000 0.221 852 P C -0.018 177.211 177.300 -0.118 0.000 1.155 852 P CA 0.948 64.035 63.100 -0.023 0.000 0.812 852 P CB 0.139 31.817 31.700 -0.037 0.000 0.801 853 Y N 2.115 122.380 120.300 -0.058 0.000 2.425 853 Y HA 0.122 4.671 4.550 -0.001 0.000 0.331 853 Y C 1.568 177.450 175.900 -0.029 0.000 1.157 853 Y CA 0.352 58.425 58.100 -0.046 0.000 1.372 853 Y CB 0.442 38.867 38.460 -0.058 0.000 1.253 853 Y HN 0.027 nan 8.280 nan 0.000 0.536 854 K N -0.640 119.817 120.400 0.095 0.000 2.439 854 K HA 0.743 5.063 4.320 -0.001 0.000 0.260 854 K C -0.935 175.692 176.600 0.045 0.000 1.032 854 K CA -1.125 55.191 56.287 0.048 0.000 0.882 854 K CB 1.522 34.004 32.500 -0.031 0.000 1.420 854 K HN 0.513 nan 8.250 nan 0.000 0.455 855 T N -1.170 113.402 114.554 0.030 0.000 2.934 855 T HA 0.301 4.651 4.350 -0.001 0.000 0.283 855 T C 0.125 174.826 174.700 0.002 0.000 1.005 855 T CA -0.798 61.314 62.100 0.019 0.000 1.041 855 T CB 0.702 69.581 68.868 0.020 0.000 1.042 855 T HN 0.742 nan 8.240 nan 0.000 0.505 856 N N 0.729 119.428 118.700 -0.001 0.000 2.366 856 N HA 0.171 4.911 4.740 -0.001 0.000 0.277 856 N C 1.385 176.892 175.510 -0.005 0.000 1.275 856 N CA -0.965 52.079 53.050 -0.009 0.000 0.964 856 N CB 0.269 38.751 38.487 -0.008 0.000 1.167 856 N HN 0.850 nan 8.380 nan 0.000 0.568 857 R N -1.461 119.034 120.500 -0.008 0.000 2.200 857 R HA -0.052 4.287 4.340 -0.001 0.000 0.234 857 R C 0.407 176.707 176.300 -0.001 0.000 1.127 857 R CA 1.016 57.112 56.100 -0.006 0.000 0.989 857 R CB -0.534 29.761 30.300 -0.009 0.000 0.869 857 R HN 0.368 nan 8.270 nan 0.000 0.459 858 L N 0.341 121.564 121.223 -0.001 0.000 2.592 858 L HA 0.313 4.653 4.340 -0.001 0.000 0.227 858 L C 1.268 178.138 176.870 -0.000 0.000 1.127 858 L CA 1.194 56.035 54.840 0.001 0.000 0.884 858 L CB 0.367 42.428 42.059 0.003 0.000 1.065 858 L HN 0.599 nan 8.230 nan 0.000 0.457 859 G N -0.931 107.870 108.800 0.001 0.000 2.176 859 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.253 859 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.253 859 G C 0.431 175.329 174.900 -0.004 0.000 0.979 859 G CA 0.027 45.127 45.100 0.001 0.000 0.641 859 G HN 0.426 nan 8.290 nan 0.000 0.530 860 Q N -0.140 119.658 119.800 -0.005 0.000 2.230 860 Q HA 0.618 4.958 4.340 -0.001 0.000 0.248 860 Q C 0.448 176.446 176.000 -0.003 0.000 0.915 860 Q CA 0.099 55.895 55.803 -0.011 0.000 0.900 860 Q CB 1.904 30.638 28.738 -0.007 0.000 1.229 860 Q HN 0.839 nan 8.270 nan 0.000 0.439 861 G N 1.270 110.064 108.800 -0.011 0.000 2.523 861 G HA2 0.411 4.370 3.960 -0.001 0.000 0.291 861 G HA3 0.411 4.370 3.960 -0.001 0.000 0.291 861 G C -3.084 171.812 174.900 -0.006 0.000 1.450 861 G CA -1.101 44.008 45.100 0.014 0.000 0.790 861 G HN 0.296 nan 8.290 nan 0.000 0.496 862 P HA 0.383 nan 4.420 nan 0.000 0.264 862 P C -0.064 177.205 177.300 -0.052 0.000 1.193 862 P CA 0.177 63.269 63.100 -0.013 0.000 0.763 862 P CB 1.007 32.742 31.700 0.058 0.000 0.810 863 A N 4.036 126.766 122.820 -0.149 0.000 2.343 863 A HA 0.267 4.586 4.320 -0.001 0.000 0.305 863 A C -0.893 176.684 177.584 -0.012 0.000 1.308 863 A CA -0.379 51.595 52.037 -0.105 0.000 0.949 863 A CB -0.562 18.270 19.000 -0.279 0.000 1.148 863 A HN 0.644 nan 8.150 nan 0.000 0.545 864 W N 2.769 123.965 121.300 -0.174 0.000 2.520 864 W HA 0.593 5.253 4.660 -0.000 0.000 0.323 864 W C 0.225 176.700 176.519 -0.074 0.000 1.062 864 W CA 0.174 57.383 57.345 -0.227 0.000 1.215 864 W CB 1.842 31.028 29.460 -0.456 0.000 1.340 864 W HN 0.869 nan 8.180 nan 0.000 0.516 865 G N 3.632 112.157 108.800 -0.459 0.000 2.746 865 G HA2 0.276 4.235 3.960 -0.001 0.000 0.297 865 G HA3 0.276 4.235 3.960 -0.001 0.000 0.297 865 G C -2.167 172.358 174.900 -0.625 0.000 1.426 865 G CA -1.010 43.955 45.100 -0.226 0.000 0.989 865 G HN 0.444 nan 8.290 nan 0.000 0.520 866 N N 0.674 119.164 118.700 -0.349 0.000 2.446 866 N HA 0.470 5.210 4.740 -0.001 0.000 0.265 866 N C 0.768 176.104 175.510 -0.291 0.000 0.975 866 N CA -0.119 52.736 53.050 -0.325 0.000 0.928 866 N CB 2.244 40.701 38.487 -0.050 0.000 1.160 866 N HN 0.335 nan 8.380 nan 0.000 0.495 867 S N 3.467 118.836 115.700 -0.551 0.000 2.291 867 S HA 0.460 4.930 4.470 -0.001 0.000 0.185 867 S C 0.323 174.743 174.600 -0.300 0.000 0.996 867 S CA 0.339 58.118 58.200 -0.701 0.000 0.997 867 S CB -0.173 62.269 63.200 -1.263 0.000 0.899 867 S HN 0.491 nan 8.310 nan 0.000 0.493 868 L N -1.060 120.038 121.223 -0.209 0.000 2.170 868 L HA 0.500 4.840 4.340 -0.001 0.000 0.247 868 L C 0.406 177.344 176.870 0.113 0.000 1.078 868 L CA -0.694 54.130 54.840 -0.026 0.000 0.936 868 L CB 0.729 42.782 42.059 -0.010 0.000 1.528 868 L HN 0.385 nan 8.230 nan 0.000 0.455 869 F N 1.085 121.053 119.950 0.029 0.000 2.270 869 F HA -0.016 4.510 4.527 -0.000 0.000 0.295 869 F C 2.159 178.107 175.800 0.246 0.000 1.087 869 F CA 1.231 59.304 58.000 0.122 0.000 1.365 869 F CB 0.029 39.128 39.000 0.166 0.000 1.056 869 F HN 0.602 nan 8.300 nan 0.000 0.506 870 E N -0.069 120.183 120.200 0.086 0.000 2.442 870 E HA -0.083 4.266 4.350 -0.001 0.000 0.195 870 E C 0.339 177.013 176.600 0.122 0.000 1.030 870 E CA 1.064 57.462 56.400 -0.003 0.000 0.869 870 E CB -0.602 29.071 29.700 -0.045 0.000 0.857 870 E HN 0.549 nan 8.360 nan 0.000 0.505 871 D N 0.273 120.749 120.400 0.127 0.000 2.501 871 D HA 0.268 4.908 4.640 -0.001 0.000 0.224 871 D C 1.403 177.811 176.300 0.180 0.000 1.202 871 D CA 0.332 54.414 54.000 0.136 0.000 0.829 871 D CB 0.451 41.281 40.800 0.050 0.000 1.023 871 D HN 0.105 nan 8.370 nan 0.000 0.499 872 A N 1.290 124.201 122.820 0.151 0.000 1.903 872 A HA -0.077 4.243 4.320 -0.001 0.000 0.219 872 A C 2.411 180.102 177.584 0.178 0.000 1.191 872 A CA 2.533 54.580 52.037 0.016 0.000 0.638 872 A CB -1.009 17.675 19.000 -0.527 0.000 0.823 872 A HN 0.401 nan 8.150 nan 0.000 0.451 873 A N -0.268 122.790 122.820 0.396 0.000 1.865 873 A HA -0.200 4.120 4.320 -0.001 0.000 0.217 873 A C 1.874 179.613 177.584 0.258 0.000 1.191 873 A CA 2.045 54.306 52.037 0.374 0.000 0.623 873 A CB -0.647 18.611 19.000 0.430 0.000 0.826 873 A HN 0.578 nan 8.150 nan 0.000 0.444 874 E N -1.630 118.706 120.200 0.227 0.000 2.150 874 E HA -0.159 4.190 4.350 -0.001 0.000 0.193 874 E C 1.773 178.537 176.600 0.273 0.000 0.985 874 E CA 1.239 57.768 56.400 0.215 0.000 0.814 874 E CB -0.377 29.401 29.700 0.130 0.000 0.752 874 E HN 0.750 nan 8.360 nan 0.000 0.466 875 Y N 0.917 121.263 120.300 0.077 0.000 2.163 875 Y HA -0.068 4.481 4.550 -0.001 0.000 0.288 875 Y C 2.322 178.220 175.900 -0.002 0.000 1.136 875 Y CA 1.703 59.813 58.100 0.017 0.000 1.147 875 Y CB -0.776 37.663 38.460 -0.036 0.000 0.987 875 Y HN 0.034 nan 8.280 nan 0.000 0.509 876 G N -0.908 107.885 108.800 -0.012 0.000 2.408 876 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.217 876 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.217 876 G C 1.683 176.538 174.900 -0.076 0.000 1.150 876 G CA 0.694 45.712 45.100 -0.136 0.000 0.776 876 G HN 0.476 nan 8.290 nan 0.000 0.542 877 F N 2.469 122.373 119.950 -0.076 0.000 2.171 877 F HA 0.033 4.559 4.527 -0.001 0.000 0.300 877 F C 2.497 178.238 175.800 -0.098 0.000 1.090 877 F CA 1.401 59.360 58.000 -0.069 0.000 1.293 877 F CB -0.334 38.660 39.000 -0.009 0.000 1.013 877 F HN 0.111 nan 8.300 nan 0.000 0.486 878 G N 0.233 109.008 108.800 -0.043 0.000 2.404 878 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.215 878 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.215 878 G C 1.672 176.410 174.900 -0.269 0.000 1.174 878 G CA 0.948 45.970 45.100 -0.130 0.000 0.780 878 G HN 0.376 nan 8.290 nan 0.000 0.537 879 M N 0.698 120.084 119.600 -0.357 0.000 2.108 879 M HA -0.103 4.377 4.480 -0.001 0.000 0.261 879 M C 2.400 178.389 176.300 -0.518 0.000 1.066 879 M CA 1.351 56.343 55.300 -0.513 0.000 1.107 879 M CB -0.476 31.709 32.600 -0.691 0.000 1.356 879 M HN 0.325 nan 8.290 nan 0.000 0.406 880 N N 0.704 119.135 118.700 -0.449 0.000 2.188 880 N HA -0.138 4.602 4.740 -0.001 0.000 0.184 880 N C 1.646 176.948 175.510 -0.347 0.000 1.018 880 N CA 1.265 54.081 53.050 -0.391 0.000 0.858 880 N CB 0.011 38.269 38.487 -0.382 0.000 0.989 880 N HN 0.385 nan 8.380 nan 0.000 0.426 881 M N 0.035 119.380 119.600 -0.426 0.000 2.132 881 M HA -0.111 4.369 4.480 -0.001 0.000 0.263 881 M C 2.506 178.742 176.300 -0.107 0.000 1.065 881 M CA 1.074 56.199 55.300 -0.293 0.000 1.122 881 M CB -0.240 32.173 32.600 -0.313 0.000 1.365 881 M HN 0.116 nan 8.290 nan 0.000 0.411 882 S N 0.305 115.915 115.700 -0.151 0.000 2.353 882 S HA -0.167 4.302 4.470 -0.001 0.000 0.222 882 S C 1.966 176.532 174.600 -0.056 0.000 1.035 882 S CA 1.280 59.424 58.200 -0.093 0.000 1.025 882 S CB -0.020 63.101 63.200 -0.133 0.000 0.902 882 S HN 0.307 nan 8.310 nan 0.000 0.440 883 M N 0.201 119.737 119.600 -0.107 0.000 2.159 883 M HA -0.018 4.461 4.480 -0.001 0.000 0.263 883 M C 1.976 178.286 176.300 0.017 0.000 1.063 883 M CA 1.293 56.569 55.300 -0.039 0.000 1.110 883 M CB -1.607 30.948 32.600 -0.076 0.000 1.374 883 M HN 0.520 nan 8.290 nan 0.000 0.411 884 F N 1.068 120.956 119.950 -0.105 0.000 2.075 884 F HA -0.152 4.375 4.527 -0.001 0.000 0.297 884 F C 2.365 178.148 175.800 -0.027 0.000 1.113 884 F CA 1.852 59.809 58.000 -0.073 0.000 1.218 884 F CB -0.427 38.500 39.000 -0.121 0.000 0.984 884 F HN 0.126 nan 8.300 nan 0.000 0.472 885 A N 0.816 123.695 122.820 0.097 0.000 1.865 885 A HA -0.211 4.109 4.320 -0.001 0.000 0.217 885 A C 2.313 179.890 177.584 -0.011 0.000 1.191 885 A CA 2.003 54.057 52.037 0.029 0.000 0.623 885 A CB -0.819 18.224 19.000 0.072 0.000 0.826 885 A HN 0.483 nan 8.150 nan 0.000 0.444 886 R N -0.812 119.701 120.500 0.022 0.000 2.092 886 R HA -0.035 4.304 4.340 -0.001 0.000 0.231 886 R C 2.281 178.609 176.300 0.046 0.000 1.119 886 R CA 1.360 57.494 56.100 0.057 0.000 0.970 886 R CB -0.269 30.056 30.300 0.042 0.000 0.864 886 R HN 0.461 nan 8.270 nan 0.000 0.440 887 R N -0.290 120.221 120.500 0.019 0.000 2.236 887 R HA 0.018 4.358 4.340 -0.001 0.000 0.208 887 R C 1.644 177.977 176.300 0.055 0.000 1.036 887 R CA 1.024 57.178 56.100 0.090 0.000 1.001 887 R CB 0.055 30.427 30.300 0.119 0.000 0.896 887 R HN 0.152 nan 8.270 nan 0.000 0.464 888 T N -0.664 113.816 114.554 -0.123 0.000 2.978 888 T HA -0.096 4.254 4.350 -0.001 0.000 0.262 888 T C 1.514 176.228 174.700 0.023 0.000 1.063 888 T CA 0.826 62.822 62.100 -0.172 0.000 1.140 888 T CB -0.090 68.521 68.868 -0.429 0.000 0.886 888 T HN 0.452 nan 8.240 nan 0.000 0.470 889 H N 0.336 119.367 119.070 -0.066 0.000 2.326 889 H HA -0.026 4.529 4.556 -0.001 0.000 0.301 889 H C 2.327 177.646 175.328 -0.015 0.000 1.081 889 H CA 0.919 56.947 56.048 -0.034 0.000 1.334 889 H CB -0.056 29.687 29.762 -0.031 0.000 1.385 889 H HN 0.151 nan 8.280 nan 0.000 0.504 890 L N 1.247 122.490 121.223 0.033 0.000 2.012 890 L HA -0.116 4.223 4.340 -0.001 0.000 0.210 890 L C 2.572 179.445 176.870 0.005 0.000 1.073 890 L CA 2.027 56.814 54.840 -0.088 0.000 0.748 890 L CB -1.136 40.854 42.059 -0.114 0.000 0.891 890 L HN 0.362 nan 8.230 nan 0.000 0.431 891 A N -0.721 122.233 122.820 0.223 0.000 1.908 891 A HA -0.315 4.004 4.320 -0.001 0.000 0.218 891 A C 2.099 179.777 177.584 0.158 0.000 1.181 891 A CA 2.020 54.266 52.037 0.348 0.000 0.627 891 A CB -1.153 18.002 19.000 0.259 0.000 0.818 891 A HN 0.652 nan 8.150 nan 0.000 0.445 892 D N -0.997 119.468 120.400 0.108 0.000 2.117 892 D HA -0.136 4.504 4.640 -0.001 0.000 0.197 892 D C 1.717 178.058 176.300 0.069 0.000 0.987 892 D CA 0.986 55.035 54.000 0.082 0.000 0.829 892 D CB -0.057 40.795 40.800 0.086 0.000 0.961 892 D HN 0.195 nan 8.370 nan 0.000 0.460 893 L N 0.690 121.950 121.223 0.061 0.000 2.056 893 L HA 0.037 4.377 4.340 -0.001 0.000 0.207 893 L C 2.531 179.393 176.870 -0.012 0.000 1.078 893 L CA 1.610 56.457 54.840 0.012 0.000 0.749 893 L CB -1.669 40.357 42.059 -0.054 0.000 0.901 893 L HN 0.144 nan 8.230 nan 0.000 0.433 894 A N -0.216 122.592 122.820 -0.019 0.000 1.865 894 A HA -0.200 4.119 4.320 -0.001 0.000 0.217 894 A C 2.524 180.120 177.584 0.020 0.000 1.191 894 A CA 2.188 54.216 52.037 -0.014 0.000 0.623 894 A CB -0.938 18.089 19.000 0.046 0.000 0.826 894 A HN 0.390 nan 8.150 nan 0.000 0.444 895 A N -0.469 122.378 122.820 0.046 0.000 1.908 895 A HA -0.208 4.111 4.320 -0.001 0.000 0.218 895 A C 2.131 179.723 177.584 0.015 0.000 1.181 895 A CA 1.998 54.053 52.037 0.031 0.000 0.627 895 A CB -0.472 18.548 19.000 0.033 0.000 0.818 895 A HN 0.578 nan 8.150 nan 0.000 0.445 896 K N -0.524 119.885 120.400 0.015 0.000 2.026 896 K HA -0.061 4.258 4.320 -0.001 0.000 0.208 896 K C 2.330 178.930 176.600 -0.000 0.000 1.048 896 K CA 1.128 57.420 56.287 0.009 0.000 0.929 896 K CB -0.372 32.135 32.500 0.013 0.000 0.713 896 K HN 0.431 nan 8.250 nan 0.000 0.439 897 A N 1.509 124.325 122.820 -0.007 0.000 1.978 897 A HA -0.158 4.161 4.320 -0.001 0.000 0.220 897 A C 2.057 179.633 177.584 -0.013 0.000 1.170 897 A CA 1.282 53.310 52.037 -0.015 0.000 0.636 897 A CB -0.664 18.318 19.000 -0.030 0.000 0.810 897 A HN 0.207 nan 8.150 nan 0.000 0.448 898 L N -0.885 120.332 121.223 -0.009 0.000 2.191 898 L HA -0.117 4.223 4.340 -0.001 0.000 0.212 898 L C 1.107 177.973 176.870 -0.007 0.000 1.103 898 L CA 1.021 55.855 54.840 -0.009 0.000 0.769 898 L CB -0.247 41.808 42.059 -0.006 0.000 0.908 898 L HN 0.448 nan 8.230 nan 0.000 0.438 899 E N -0.152 120.045 120.200 -0.005 0.000 2.434 899 E HA 0.110 4.460 4.350 -0.001 0.000 0.243 899 E C -0.061 176.537 176.600 -0.004 0.000 1.250 899 E CA -0.236 56.162 56.400 -0.004 0.000 1.568 899 E CB 0.423 30.122 29.700 -0.002 0.000 1.435 899 E HN 0.335 nan 8.360 nan 0.000 0.432 900 S N -0.530 115.166 115.700 -0.006 0.000 2.840 900 S HA 0.194 4.663 4.470 -0.001 0.000 0.307 900 S C -0.010 174.586 174.600 -0.006 0.000 1.180 900 S CA -0.890 57.306 58.200 -0.006 0.000 0.846 900 S CB 1.026 64.222 63.200 -0.007 0.000 1.233 900 S HN 0.099 nan 8.310 nan 0.000 0.548 901 D N 0.540 120.936 120.400 -0.006 0.000 2.434 901 D HA 0.374 5.013 4.640 -0.001 0.000 0.232 901 D C 0.729 177.025 176.300 -0.007 0.000 1.166 901 D CA -0.176 53.821 54.000 -0.006 0.000 0.830 901 D CB -0.686 40.112 40.800 -0.005 0.000 0.960 901 D HN 0.771 nan 8.370 nan 0.000 0.497 902 A N 0.817 123.632 122.820 -0.009 0.000 2.507 902 A HA 0.374 4.693 4.320 -0.001 0.000 0.235 902 A C 0.963 178.542 177.584 -0.008 0.000 1.070 902 A CA -0.091 51.940 52.037 -0.011 0.000 0.768 902 A CB 0.089 19.079 19.000 -0.015 0.000 1.011 902 A HN 0.438 nan 8.150 nan 0.000 0.502 903 S N 1.365 117.060 115.700 -0.007 0.000 2.569 903 S HA 0.286 4.756 4.470 -0.001 0.000 0.274 903 S C 1.409 176.007 174.600 -0.003 0.000 1.353 903 S CA -0.080 58.118 58.200 -0.004 0.000 1.023 903 S CB 0.662 63.861 63.200 -0.002 0.000 0.876 903 S HN 1.493 nan 8.310 nan 0.000 0.540 904 G N 0.955 109.755 108.800 0.000 0.000 2.442 904 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.219 904 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.219 904 G C 0.945 175.849 174.900 0.007 0.000 1.141 904 G CA 0.889 45.990 45.100 0.002 0.000 0.763 904 G HN 0.767 nan 8.290 nan 0.000 0.554 905 D N 0.277 120.683 120.400 0.010 0.000 2.078 905 D HA -0.096 4.543 4.640 -0.001 0.000 0.193 905 D C 2.835 179.145 176.300 0.016 0.000 0.990 905 D CA 0.954 54.965 54.000 0.018 0.000 0.827 905 D CB -0.745 40.065 40.800 0.016 0.000 0.975 905 D HN 0.149 nan 8.370 nan 0.000 0.451 906 V N 1.265 121.180 119.914 0.003 0.000 2.252 906 V HA -0.290 3.830 4.120 -0.001 0.000 0.249 906 V C 2.362 178.448 176.094 -0.014 0.000 1.056 906 V CA 1.822 64.116 62.300 -0.010 0.000 1.022 906 V CB -0.413 31.399 31.823 -0.019 0.000 0.641 906 V HN 0.215 nan 8.190 nan 0.000 0.445 907 K N -0.568 119.825 120.400 -0.012 0.000 2.103 907 K HA -0.238 4.081 4.320 -0.001 0.000 0.207 907 K C 2.237 178.826 176.600 -0.019 0.000 1.048 907 K CA 1.730 58.007 56.287 -0.016 0.000 0.930 907 K CB -0.209 32.284 32.500 -0.013 0.000 0.716 907 K HN 0.537 nan 8.250 nan 0.000 0.444 908 E N 0.272 120.469 120.200 -0.004 0.000 2.077 908 E HA -0.173 4.176 4.350 -0.001 0.000 0.193 908 E C 1.976 178.568 176.600 -0.013 0.000 0.989 908 E CA 0.925 57.324 56.400 -0.002 0.000 0.800 908 E CB 0.010 29.732 29.700 0.036 0.000 0.746 908 E HN 0.331 nan 8.360 nan 0.000 0.452 909 A N 0.846 123.691 122.820 0.041 0.000 1.873 909 A HA -0.152 4.167 4.320 -0.001 0.000 0.215 909 A C 2.148 179.727 177.584 -0.007 0.000 1.186 909 A CA 0.957 53.058 52.037 0.106 0.000 0.616 909 A CB -0.617 18.441 19.000 0.096 0.000 0.823 909 A HN 0.185 nan 8.150 nan 0.000 0.442 910 L N -0.996 120.209 121.223 -0.030 0.000 2.012 910 L HA -0.251 4.089 4.340 -0.001 0.000 0.210 910 L C 2.865 179.733 176.870 -0.003 0.000 1.073 910 L CA 1.780 56.614 54.840 -0.010 0.000 0.748 910 L CB -0.523 41.519 42.059 -0.028 0.000 0.891 910 L HN 0.447 nan 8.230 nan 0.000 0.431 911 Q N 0.463 120.216 119.800 -0.079 0.000 2.124 911 Q HA -0.143 4.196 4.340 -0.001 0.000 0.202 911 Q C 2.080 177.920 176.000 -0.266 0.000 0.977 911 Q CA 2.017 57.747 55.803 -0.121 0.000 0.850 911 Q CB -0.643 28.030 28.738 -0.107 0.000 0.901 911 Q HN 0.415 nan 8.270 nan 0.000 0.429 912 G N -0.797 107.684 108.800 -0.531 0.000 2.402 912 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.216 912 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.216 912 G C 1.196 175.655 174.900 -0.734 0.000 1.162 912 G CA 0.595 44.947 45.100 -1.247 0.000 0.777 912 G HN 0.557 nan 8.290 nan 0.000 0.539 913 W N 1.208 122.232 121.300 -0.459 0.000 2.355 913 W HA 0.033 4.692 4.660 -0.000 0.000 0.309 913 W C 2.316 178.757 176.519 -0.130 0.000 1.206 913 W CA 1.165 58.418 57.345 -0.153 0.000 1.284 913 W CB -0.313 29.070 29.460 -0.128 0.000 1.145 913 W HN 0.111 nan 8.180 nan 0.000 0.502 914 L N 0.577 121.782 121.223 -0.031 0.000 2.042 914 L HA -0.233 4.106 4.340 -0.001 0.000 0.210 914 L C 2.684 179.357 176.870 -0.328 0.000 1.076 914 L CA 1.574 56.283 54.840 -0.218 0.000 0.749 914 L CB -1.269 40.790 42.059 0.000 0.000 0.893 914 L HN 0.137 nan 8.230 nan 0.000 0.432 915 A N -0.362 122.304 122.820 -0.257 0.000 1.968 915 A HA -0.033 4.287 4.320 -0.001 0.000 0.217 915 A C 2.083 179.534 177.584 -0.222 0.000 1.169 915 A CA 1.521 53.431 52.037 -0.212 0.000 0.638 915 A CB -0.701 18.194 19.000 -0.174 0.000 0.812 915 A HN 0.439 nan 8.150 nan 0.000 0.446 916 G N -1.156 107.487 108.800 -0.262 0.000 3.502 916 G HA2 0.165 4.124 3.960 -0.001 0.000 0.267 916 G HA3 0.165 4.124 3.960 -0.001 0.000 0.267 916 G C 1.038 175.727 174.900 -0.351 0.000 1.090 916 G CA 0.514 45.496 45.100 -0.197 0.000 0.795 916 G HN 0.494 nan 8.290 nan 0.000 0.535 917 K N 0.933 120.943 120.400 -0.650 0.000 2.090 917 K HA -0.212 4.108 4.320 -0.001 0.000 0.218 917 K C 1.276 177.617 176.600 -0.432 0.000 1.055 917 K CA 1.775 57.499 56.287 -0.938 0.000 0.941 917 K CB 0.044 31.983 32.500 -0.934 0.000 0.722 917 K HN 0.223 nan 8.250 nan 0.000 0.458 918 N N 0.867 119.408 118.700 -0.265 0.000 2.251 918 N HA -0.026 4.714 4.740 -0.001 0.000 0.217 918 N C -0.862 174.601 175.510 -0.078 0.000 1.124 918 N CA 0.185 53.154 53.050 -0.134 0.000 0.843 918 N CB 0.438 38.859 38.487 -0.111 0.000 1.024 918 N HN 0.248 nan 8.380 nan 0.000 0.501 919 D N 0.533 120.886 120.400 -0.077 0.000 2.303 919 D HA 0.268 4.908 4.640 -0.001 0.000 0.236 919 D C -1.815 174.499 176.300 0.023 0.000 1.068 919 D CA -2.219 51.769 54.000 -0.021 0.000 0.830 919 D CB 2.292 43.081 40.800 -0.018 0.000 1.109 919 D HN -0.128 nan 8.370 nan 0.000 0.496 920 P HA -0.133 nan 4.420 nan 0.000 0.215 920 P C 1.479 178.832 177.300 0.089 0.000 1.153 920 P CA 0.731 63.884 63.100 0.089 0.000 0.853 920 P CB 0.321 32.088 31.700 0.112 0.000 0.788 921 I N -0.763 119.850 120.570 0.072 0.000 2.162 921 I HA -0.151 4.019 4.170 -0.001 0.000 0.238 921 I C 2.025 178.178 176.117 0.060 0.000 1.076 921 I CA 1.635 62.972 61.300 0.061 0.000 1.353 921 I CB -1.525 36.504 38.000 0.048 0.000 1.063 921 I HN -0.055 nan 8.210 nan 0.000 0.408 922 K N 1.219 121.663 120.400 0.074 0.000 2.097 922 K HA -0.066 4.254 4.320 -0.001 0.000 0.205 922 K C 2.264 178.985 176.600 0.202 0.000 1.050 922 K CA 1.570 57.938 56.287 0.135 0.000 0.938 922 K CB -0.673 31.922 32.500 0.158 0.000 0.718 922 K HN 0.472 nan 8.250 nan 0.000 0.442 923 S N 1.108 116.884 115.700 0.127 0.000 2.382 923 S HA -0.160 4.310 4.470 -0.001 0.000 0.228 923 S C 2.102 176.892 174.600 0.316 0.000 1.027 923 S CA 1.346 59.663 58.200 0.195 0.000 0.991 923 S CB -0.130 63.139 63.200 0.115 0.000 0.823 923 S HN 0.289 nan 8.310 nan 0.000 0.469 924 K N 1.279 121.800 120.400 0.201 0.000 2.062 924 K HA -0.062 4.258 4.320 -0.001 0.000 0.205 924 K C 2.402 179.066 176.600 0.106 0.000 1.051 924 K CA 1.211 57.600 56.287 0.170 0.000 0.941 924 K CB -0.251 32.320 32.500 0.118 0.000 0.719 924 K HN 0.594 nan 8.250 nan 0.000 0.440 925 E N -0.318 119.899 120.200 0.029 0.000 2.023 925 E HA -0.232 4.118 4.350 -0.001 0.000 0.196 925 E C 1.747 178.236 176.600 -0.184 0.000 1.003 925 E CA 1.672 57.991 56.400 -0.134 0.000 0.809 925 E CB -0.168 29.358 29.700 -0.290 0.000 0.755 925 E HN 0.429 nan 8.360 nan 0.000 0.449 926 Y N -0.352 120.000 120.300 0.086 0.000 2.314 926 Y HA 0.025 4.574 4.550 -0.001 0.000 0.293 926 Y C 2.421 178.329 175.900 0.014 0.000 1.129 926 Y CA 0.801 58.942 58.100 0.068 0.000 1.201 926 Y CB -0.399 38.127 38.460 0.111 0.000 0.999 926 Y HN 0.188 nan 8.280 nan 0.000 0.541 927 G N -0.106 108.816 108.800 0.203 0.000 2.422 927 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.218 927 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.218 927 G C 1.176 176.133 174.900 0.095 0.000 1.146 927 G CA 1.325 46.425 45.100 -0.000 0.000 0.769 927 G HN 0.265 nan 8.290 nan 0.000 0.547 928 D N 0.512 120.979 120.400 0.113 0.000 2.178 928 D HA -0.024 4.616 4.640 -0.001 0.000 0.202 928 D C 2.465 178.792 176.300 0.046 0.000 0.974 928 D CA 0.734 54.786 54.000 0.087 0.000 0.841 928 D CB -0.083 40.747 40.800 0.050 0.000 0.953 928 D HN 0.300 nan 8.370 nan 0.000 0.478 929 K N 0.098 120.510 120.400 0.020 0.000 2.097 929 K HA -0.014 4.305 4.320 -0.001 0.000 0.205 929 K C 2.249 178.856 176.600 0.010 0.000 1.050 929 K CA 0.474 56.771 56.287 0.016 0.000 0.938 929 K CB -0.043 32.478 32.500 0.034 0.000 0.718 929 K HN 0.130 nan 8.250 nan 0.000 0.442 930 L N 1.131 122.335 121.223 -0.032 0.000 2.046 930 L HA -0.204 4.135 4.340 -0.001 0.000 0.208 930 L C 2.233 179.122 176.870 0.032 0.000 1.077 930 L CA 1.383 56.171 54.840 -0.086 0.000 0.747 930 L CB -0.313 41.514 42.059 -0.386 0.000 0.896 930 L HN 0.124 nan 8.230 nan 0.000 0.432 931 K N 0.020 120.499 120.400 0.131 0.000 2.103 931 K HA -0.195 4.125 4.320 -0.001 0.000 0.207 931 K C 2.124 178.764 176.600 0.067 0.000 1.048 931 K CA 1.342 57.720 56.287 0.151 0.000 0.930 931 K CB -0.036 32.550 32.500 0.144 0.000 0.716 931 K HN 0.292 nan 8.250 nan 0.000 0.444 932 K N 0.775 121.203 120.400 0.046 0.000 1.991 932 K HA -0.055 4.265 4.320 -0.001 0.000 0.207 932 K C 2.168 178.779 176.600 0.018 0.000 1.045 932 K CA 1.065 57.368 56.287 0.026 0.000 0.937 932 K CB -0.201 32.310 32.500 0.019 0.000 0.720 932 K HN 0.008 nan 8.250 nan 0.000 0.438 933 L N 1.083 122.314 121.223 0.013 0.000 2.042 933 L HA -0.193 4.147 4.340 -0.001 0.000 0.210 933 L C 2.012 178.884 176.870 0.004 0.000 1.076 933 L CA 1.197 56.041 54.840 0.006 0.000 0.749 933 L CB -0.349 41.710 42.059 0.000 0.000 0.893 933 L HN 0.189 nan 8.230 nan 0.000 0.432 934 L N -0.308 120.919 121.223 0.007 0.000 2.611 934 L HA 0.231 4.570 4.340 -0.001 0.000 0.229 934 L C 1.075 177.952 176.870 0.012 0.000 1.137 934 L CA -0.684 54.160 54.840 0.007 0.000 0.901 934 L CB -0.476 41.589 42.059 0.009 0.000 1.098 934 L HN 0.097 nan 8.230 nan 0.000 0.456 935 A N 0.387 123.216 122.820 0.014 0.000 2.546 935 A HA 0.369 4.688 4.320 -0.001 0.000 0.243 935 A C 1.474 179.060 177.584 0.003 0.000 1.063 935 A CA 0.899 52.942 52.037 0.011 0.000 0.757 935 A CB -0.153 18.854 19.000 0.011 0.000 0.991 935 A HN 0.615 nan 8.150 nan 0.000 0.503 936 G N 0.986 109.786 108.800 -0.000 0.000 2.284 936 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.247 936 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.247 936 G C 0.514 175.411 174.900 -0.005 0.000 1.012 936 G CA 0.663 45.761 45.100 -0.003 0.000 0.618 936 G HN 1.203 nan 8.290 nan 0.000 0.521 937 Q N 0.624 120.422 119.800 -0.005 0.000 2.255 937 Q HA 0.569 4.908 4.340 -0.001 0.000 0.280 937 Q C 0.927 176.921 176.000 -0.011 0.000 1.068 937 Q CA 0.833 56.632 55.803 -0.007 0.000 0.911 937 Q CB 0.757 29.490 28.738 -0.008 0.000 1.157 937 Q HN 0.297 nan 8.270 nan 0.000 0.380 938 K N 1.699 122.092 120.400 -0.011 0.000 2.477 938 K HA 0.254 4.574 4.320 -0.001 0.000 0.208 938 K C -1.109 175.484 176.600 -0.012 0.000 1.117 938 K CA -0.004 56.276 56.287 -0.013 0.000 1.039 938 K CB 0.891 33.385 32.500 -0.011 0.000 0.937 938 K HN 0.576 nan 8.250 nan 0.000 0.570 939 D N 0.065 120.458 120.400 -0.011 0.000 2.252 939 D HA 0.471 5.111 4.640 -0.001 0.000 0.245 939 D C 0.750 177.044 176.300 -0.011 0.000 1.009 939 D CA 0.169 54.163 54.000 -0.010 0.000 0.870 939 D CB 1.695 42.490 40.800 -0.007 0.000 1.251 939 D HN 0.161 nan 8.370 nan 0.000 0.460 940 G N 0.573 109.368 108.800 -0.009 0.000 2.578 940 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.275 940 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.275 940 G C 0.874 175.766 174.900 -0.013 0.000 1.271 940 G CA 0.196 45.291 45.100 -0.008 0.000 0.941 940 G HN 0.477 nan 8.290 nan 0.000 0.564 941 L N -0.996 120.219 121.223 -0.012 0.000 1.990 941 L HA -0.028 4.312 4.340 -0.001 0.000 0.213 941 L C 2.912 179.764 176.870 -0.031 0.000 1.072 941 L CA 2.702 57.531 54.840 -0.018 0.000 0.755 941 L CB -0.793 41.257 42.059 -0.014 0.000 0.889 941 L HN 0.549 nan 8.230 nan 0.000 0.432 942 L N -0.411 120.795 121.223 -0.027 0.000 2.265 942 L HA -0.083 4.256 4.340 -0.001 0.000 0.215 942 L C 2.424 179.277 176.870 -0.028 0.000 1.117 942 L CA 1.748 56.569 54.840 -0.031 0.000 0.782 942 L CB -1.799 40.245 42.059 -0.024 0.000 0.914 942 L HN 0.382 nan 8.230 nan 0.000 0.441 943 G N -1.638 107.147 108.800 -0.025 0.000 2.404 943 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.215 943 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.215 943 G C 1.482 176.360 174.900 -0.037 0.000 1.174 943 G CA 0.355 45.440 45.100 -0.025 0.000 0.780 943 G HN 0.416 nan 8.290 nan 0.000 0.537 944 Q N -0.148 119.625 119.800 -0.046 0.000 2.084 944 Q HA -0.014 4.325 4.340 -0.001 0.000 0.202 944 Q C 2.615 178.559 176.000 -0.093 0.000 0.978 944 Q CA 1.074 56.834 55.803 -0.072 0.000 0.844 944 Q CB -0.227 28.463 28.738 -0.080 0.000 0.898 944 Q HN 0.508 nan 8.270 nan 0.000 0.426 945 I N 0.480 121.003 120.570 -0.079 0.000 2.361 945 I HA -0.232 3.938 4.170 -0.001 0.000 0.251 945 I C 2.283 178.409 176.117 0.015 0.000 1.133 945 I CA 0.851 62.111 61.300 -0.066 0.000 1.413 945 I CB -0.397 37.549 38.000 -0.090 0.000 1.073 945 I HN 0.156 nan 8.210 nan 0.000 0.424 946 A N 0.673 123.495 122.820 0.002 0.000 2.014 946 A HA 0.081 4.401 4.320 -0.001 0.000 0.218 946 A C 2.340 179.903 177.584 -0.036 0.000 1.163 946 A CA 1.313 53.368 52.037 0.030 0.000 0.652 946 A CB -0.416 18.588 19.000 0.007 0.000 0.808 946 A HN 0.400 nan 8.150 nan 0.000 0.449 947 A N -1.267 121.513 122.820 -0.066 0.000 2.238 947 A HA 0.392 4.712 4.320 -0.001 0.000 0.208 947 A C 1.426 178.922 177.584 -0.147 0.000 1.177 947 A CA 0.425 52.405 52.037 -0.095 0.000 0.804 947 A CB -0.433 18.523 19.000 -0.073 0.000 0.823 947 A HN 0.459 nan 8.150 nan 0.000 0.482 948 M N -0.121 119.365 119.600 -0.191 0.000 2.685 948 M HA 0.045 4.524 4.480 -0.001 0.000 0.355 948 M C 1.605 177.557 176.300 -0.580 0.000 1.197 948 M CA 0.382 55.527 55.300 -0.258 0.000 0.947 948 M CB 0.452 32.942 32.600 -0.183 0.000 1.346 948 M HN 0.481 nan 8.290 nan 0.000 0.516 949 S N 0.355 115.561 115.700 -0.823 0.000 2.419 949 S HA -0.172 4.298 4.470 -0.001 0.000 0.233 949 S C 1.299 175.359 174.600 -0.899 0.000 1.016 949 S CA 1.718 58.966 58.200 -1.586 0.000 0.974 949 S CB -0.483 62.252 63.200 -0.776 0.000 0.786 949 S HN 0.628 nan 8.310 nan 0.000 0.492 950 D N 1.077 121.213 120.400 -0.441 0.000 2.371 950 D HA 0.021 4.661 4.640 -0.001 0.000 0.234 950 D C 1.188 177.408 176.300 -0.133 0.000 1.049 950 D CA 0.236 54.102 54.000 -0.223 0.000 0.907 950 D CB -0.439 40.282 40.800 -0.132 0.000 0.891 950 D HN 0.524 nan 8.370 nan 0.000 0.531 951 L N -1.314 119.794 121.223 -0.191 0.000 2.858 951 L HA 0.208 4.547 4.340 -0.001 0.000 0.251 951 L C 1.561 178.558 176.870 0.212 0.000 1.149 951 L CA -0.361 54.490 54.840 0.018 0.000 0.955 951 L CB -0.049 42.015 42.059 0.008 0.000 1.289 951 L HN -0.021 nan 8.230 nan 0.000 0.542 952 Y N 0.513 120.845 120.300 0.054 0.000 2.089 952 Y HA -0.189 4.361 4.550 -0.001 0.000 0.282 952 Y C 1.964 178.106 175.900 0.403 0.000 1.139 952 Y CA 1.015 59.204 58.100 0.148 0.000 1.123 952 Y CB -0.235 38.230 38.460 0.007 0.000 0.980 952 Y HN 0.118 nan 8.280 nan 0.000 0.493 953 T N 1.045 115.842 114.554 0.405 0.000 2.869 953 T HA 0.137 4.486 4.350 -0.001 0.000 0.295 953 T C -0.388 174.458 174.700 0.242 0.000 0.987 953 T CA -1.008 61.274 62.100 0.304 0.000 1.109 953 T CB 1.106 70.099 68.868 0.208 0.000 0.932 953 T HN 0.016 nan 8.240 nan 0.000 0.518 954 K N 3.910 124.426 120.400 0.194 0.000 2.466 954 K HA 0.060 4.380 4.320 -0.001 0.000 0.278 954 K C 0.106 176.796 176.600 0.150 0.000 1.048 954 K CA 0.358 56.730 56.287 0.142 0.000 1.088 954 K CB 0.171 32.718 32.500 0.078 0.000 0.884 954 K HN 0.460 nan 8.250 nan 0.000 0.478 955 K N 2.201 122.707 120.400 0.177 0.000 2.090 955 K HA 0.195 4.515 4.320 -0.001 0.000 0.250 955 K C -0.384 176.335 176.600 0.199 0.000 1.004 955 K CA -0.437 55.987 56.287 0.228 0.000 0.919 955 K CB 1.608 34.364 32.500 0.426 0.000 1.045 955 K HN 0.554 nan 8.250 nan 0.000 0.471 956 S N 0.927 116.777 115.700 0.250 0.000 2.669 956 S HA 0.285 4.754 4.470 -0.001 0.000 0.315 956 S C -0.921 173.867 174.600 0.314 0.000 1.106 956 S CA -0.718 57.607 58.200 0.209 0.000 1.107 956 S CB 0.384 63.748 63.200 0.274 0.000 0.990 956 S HN 0.228 nan 8.310 nan 0.000 0.471 957 V N 6.262 126.236 119.914 0.100 0.000 2.408 957 V HA 0.400 4.520 4.120 -0.001 0.000 0.267 957 V C -0.629 175.422 176.094 -0.072 0.000 1.047 957 V CA -0.296 62.047 62.300 0.072 0.000 0.937 957 V CB 0.036 31.796 31.823 -0.106 0.000 0.999 957 V HN 0.828 nan 8.190 nan 0.000 0.472 958 W N 4.919 126.211 121.300 -0.012 0.000 2.627 958 W HA 0.726 5.385 4.660 -0.000 0.000 0.339 958 W C -0.310 176.166 176.519 -0.071 0.000 1.058 958 W CA -0.650 56.697 57.345 0.003 0.000 1.223 958 W CB 1.453 30.904 29.460 -0.017 0.000 1.389 958 W HN 0.312 nan 8.180 nan 0.000 0.541 959 I N 3.517 124.275 120.570 0.314 0.000 2.420 959 I HA 0.291 4.460 4.170 -0.001 0.000 0.282 959 I C -0.783 175.603 176.117 0.449 0.000 1.019 959 I CA -0.580 60.836 61.300 0.193 0.000 1.130 959 I CB 0.572 38.677 38.000 0.176 0.000 1.262 959 I HN 0.205 nan 8.210 nan 0.000 0.454 960 F N 4.079 124.069 119.950 0.067 0.000 2.408 960 F HA 0.727 5.253 4.527 -0.001 0.000 0.344 960 F C 0.890 176.593 175.800 -0.161 0.000 1.112 960 F CA -0.742 57.339 58.000 0.136 0.000 1.096 960 F CB 2.075 41.209 39.000 0.223 0.000 1.129 960 F HN 0.481 nan 8.300 nan 0.000 0.486 961 G N 1.466 110.343 108.800 0.129 0.000 2.667 961 G HA2 0.466 4.426 3.960 -0.001 0.000 0.294 961 G HA3 0.466 4.426 3.960 -0.001 0.000 0.294 961 G C -1.037 174.087 174.900 0.374 0.000 1.467 961 G CA -0.627 44.511 45.100 0.063 0.000 0.852 961 G HN 0.888 nan 8.290 nan 0.000 0.521 962 G N -0.690 108.356 108.800 0.410 0.000 2.563 962 G HA2 0.444 4.403 3.960 -0.001 0.000 0.283 962 G HA3 0.444 4.403 3.960 -0.001 0.000 0.283 962 G C 0.878 176.011 174.900 0.387 0.000 1.309 962 G CA 0.533 45.826 45.100 0.322 0.000 1.022 962 G HN 0.681 nan 8.290 nan 0.000 0.501 963 D N -0.894 119.633 120.400 0.210 0.000 2.183 963 D HA -0.074 4.565 4.640 -0.001 0.000 0.203 963 D C 2.178 178.535 176.300 0.095 0.000 0.969 963 D CA 1.158 55.273 54.000 0.191 0.000 0.842 963 D CB -0.743 39.997 40.800 -0.102 0.000 0.957 963 D HN 0.468 nan 8.370 nan 0.000 0.484 964 G N 0.329 109.084 108.800 -0.076 0.000 2.422 964 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.218 964 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.218 964 G C 1.391 176.404 174.900 0.189 0.000 1.146 964 G CA 0.756 45.672 45.100 -0.306 0.000 0.769 964 G HN 0.409 nan 8.290 nan 0.000 0.547 965 W N 1.837 123.280 121.300 0.239 0.000 2.353 965 W HA 0.115 4.775 4.660 -0.001 0.000 0.319 965 W C 2.636 179.197 176.519 0.071 0.000 1.207 965 W CA 2.325 59.711 57.345 0.068 0.000 1.291 965 W CB -0.533 29.058 29.460 0.219 0.000 1.159 965 W HN 0.221 nan 8.180 nan 0.000 0.478 966 A N -0.815 121.766 122.820 -0.398 0.000 1.898 966 A HA -0.169 4.151 4.320 -0.001 0.000 0.216 966 A C 1.777 179.142 177.584 -0.365 0.000 1.181 966 A CA 1.748 53.354 52.037 -0.719 0.000 0.620 966 A CB -1.303 17.532 19.000 -0.275 0.000 0.819 966 A HN 0.530 nan 8.150 nan 0.000 0.442 967 Y N -0.465 119.670 120.300 -0.276 0.000 2.510 967 Y HA 0.117 4.667 4.550 -0.001 0.000 0.273 967 Y C 1.396 177.158 175.900 -0.229 0.000 1.119 967 Y CA 0.305 58.219 58.100 -0.310 0.000 1.286 967 Y CB 0.142 38.468 38.460 -0.223 0.000 1.061 967 Y HN 0.298 nan 8.280 nan 0.000 0.542 968 D N -0.990 119.428 120.400 0.029 0.000 3.221 968 D HA 0.046 4.686 4.640 -0.001 0.000 0.207 968 D C 1.970 178.278 176.300 0.014 0.000 1.292 968 D CA -0.150 53.902 54.000 0.088 0.000 1.410 968 D CB -0.723 40.237 40.800 0.266 0.000 0.956 968 D HN 0.034 nan 8.370 nan 0.000 0.177 969 I N 0.928 121.486 120.570 -0.020 0.000 2.248 969 I HA -0.158 4.012 4.170 -0.001 0.000 0.248 969 I C 1.506 177.484 176.117 -0.233 0.000 1.107 969 I CA 1.856 63.043 61.300 -0.188 0.000 1.373 969 I CB 0.051 37.843 38.000 -0.347 0.000 1.055 969 I HN 0.183 nan 8.210 nan 0.000 0.418 970 G N -1.669 106.921 108.800 -0.349 0.000 3.337 970 G HA2 -0.149 3.811 3.960 -0.001 0.000 0.246 970 G HA3 -0.149 3.811 3.960 -0.001 0.000 0.246 970 G C 1.030 175.697 174.900 -0.389 0.000 1.131 970 G CA -0.200 44.692 45.100 -0.346 0.000 0.773 970 G HN 0.410 nan 8.290 nan 0.000 0.544 971 Y N 2.031 122.076 120.300 -0.425 0.000 2.165 971 Y HA -0.091 4.458 4.550 -0.001 0.000 0.286 971 Y C 2.439 178.210 175.900 -0.215 0.000 1.155 971 Y CA 1.569 59.461 58.100 -0.348 0.000 1.164 971 Y CB -0.498 37.815 38.460 -0.245 0.000 0.978 971 Y HN 0.113 nan 8.280 nan 0.000 0.513 972 G N -0.747 107.833 108.800 -0.366 0.000 2.422 972 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.218 972 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.218 972 G C 1.892 176.634 174.900 -0.263 0.000 1.146 972 G CA 0.767 45.641 45.100 -0.377 0.000 0.769 972 G HN 0.613 nan 8.290 nan 0.000 0.547 973 G N 0.491 109.184 108.800 -0.178 0.000 2.408 973 G HA2 -0.017 3.942 3.960 -0.001 0.000 0.215 973 G HA3 -0.017 3.942 3.960 -0.001 0.000 0.215 973 G C 1.689 176.553 174.900 -0.060 0.000 1.156 973 G CA 0.870 45.921 45.100 -0.082 0.000 0.793 973 G HN 0.376 nan 8.290 nan 0.000 0.535 974 L N 1.270 122.421 121.223 -0.120 0.000 2.017 974 L HA 0.012 4.352 4.340 -0.001 0.000 0.208 974 L C 2.206 179.005 176.870 -0.119 0.000 1.073 974 L CA 2.617 57.409 54.840 -0.080 0.000 0.745 974 L CB -0.774 41.149 42.059 -0.227 0.000 0.894 974 L HN 0.291 nan 8.230 nan 0.000 0.432 975 D N -1.801 118.448 120.400 -0.252 0.000 2.104 975 D HA -0.298 4.341 4.640 -0.001 0.000 0.194 975 D C 2.266 178.469 176.300 -0.162 0.000 0.994 975 D CA 1.561 55.425 54.000 -0.227 0.000 0.830 975 D CB -0.226 40.291 40.800 -0.471 0.000 0.959 975 D HN 0.561 nan 8.370 nan 0.000 0.452 976 H N -0.356 118.573 119.070 -0.234 0.000 2.389 976 H HA -0.046 4.510 4.556 -0.001 0.000 0.299 976 H C 2.049 177.195 175.328 -0.303 0.000 1.081 976 H CA 1.299 57.205 56.048 -0.236 0.000 1.345 976 H CB 0.071 29.692 29.762 -0.235 0.000 1.393 976 H HN 0.114 nan 8.280 nan 0.000 0.520 977 V N 1.289 121.063 119.914 -0.233 0.000 2.358 977 V HA -0.235 3.884 4.120 -0.001 0.000 0.246 977 V C 2.901 178.867 176.094 -0.213 0.000 1.047 977 V CA 1.257 63.369 62.300 -0.313 0.000 1.035 977 V CB -0.483 31.270 31.823 -0.118 0.000 0.658 977 V HN 0.327 nan 8.190 nan 0.000 0.452 978 L N 0.174 121.295 121.223 -0.169 0.000 2.093 978 L HA -0.082 4.258 4.340 -0.001 0.000 0.208 978 L C 2.589 179.278 176.870 -0.302 0.000 1.085 978 L CA 1.411 56.157 54.840 -0.156 0.000 0.755 978 L CB -0.736 41.242 42.059 -0.137 0.000 0.904 978 L HN 0.356 nan 8.230 nan 0.000 0.435 979 A N -0.013 122.504 122.820 -0.505 0.000 2.168 979 A HA -0.126 4.194 4.320 -0.001 0.000 0.215 979 A C 2.434 179.875 177.584 -0.238 0.000 1.152 979 A CA 1.317 53.011 52.037 -0.572 0.000 0.716 979 A CB -0.448 18.218 19.000 -0.557 0.000 0.794 979 A HN 0.515 nan 8.150 nan 0.000 0.465 980 S N -1.486 114.044 115.700 -0.285 0.000 2.453 980 S HA 0.251 4.721 4.470 -0.001 0.000 0.231 980 S C 1.647 176.189 174.600 -0.098 0.000 1.005 980 S CA 1.227 59.297 58.200 -0.216 0.000 0.949 980 S CB -0.605 62.471 63.200 -0.206 0.000 0.774 980 S HN 1.857 nan 8.310 nan 0.000 0.510 981 G N 0.926 109.716 108.800 -0.016 0.000 2.162 981 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.260 981 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.260 981 G C -0.121 174.757 174.900 -0.036 0.000 0.976 981 G CA 0.400 45.478 45.100 -0.037 0.000 0.655 981 G HN 0.630 nan 8.290 nan 0.000 0.533 982 E N 0.284 120.499 120.200 0.024 0.000 2.345 982 E HA 0.300 4.649 4.350 -0.001 0.000 0.259 982 E C -0.495 176.094 176.600 -0.018 0.000 1.117 982 E CA -0.602 55.796 56.400 -0.003 0.000 0.913 982 E CB 0.669 30.411 29.700 0.070 0.000 1.057 982 E HN 0.114 nan 8.360 nan 0.000 0.432 983 D N 1.845 122.200 120.400 -0.075 0.000 2.508 983 D HA 0.128 4.767 4.640 -0.001 0.000 0.224 983 D C -0.861 175.380 176.300 -0.098 0.000 1.171 983 D CA -0.190 53.753 54.000 -0.096 0.000 1.006 983 D CB -0.459 40.270 40.800 -0.118 0.000 1.073 983 D HN 0.248 nan 8.370 nan 0.000 0.513 984 V N 0.363 120.237 119.914 -0.067 0.000 3.074 984 V HA 0.675 4.795 4.120 -0.001 0.000 0.314 984 V C -0.513 175.474 176.094 -0.178 0.000 1.117 984 V CA -1.109 61.125 62.300 -0.110 0.000 1.014 984 V CB 2.365 34.189 31.823 0.001 0.000 1.057 984 V HN 0.234 nan 8.190 nan 0.000 0.438 985 N N 1.063 119.553 118.700 -0.350 0.000 2.442 985 N HA 0.567 5.307 4.740 -0.001 0.000 0.274 985 N C -1.260 174.178 175.510 -0.119 0.000 1.002 985 N CA -0.251 52.482 53.050 -0.528 0.000 0.910 985 N CB 2.236 39.697 38.487 -1.710 0.000 1.244 985 N HN 0.614 nan 8.380 nan 0.000 0.492 986 V N 2.832 122.830 119.914 0.141 0.000 2.398 986 V HA 0.393 4.512 4.120 -0.001 0.000 0.286 986 V C -0.592 175.852 176.094 0.585 0.000 1.026 986 V CA -0.679 61.858 62.300 0.395 0.000 0.868 986 V CB 0.886 32.936 31.823 0.378 0.000 0.982 986 V HN 0.489 nan 8.190 nan 0.000 0.443 987 F N 5.845 126.142 119.950 0.580 0.000 2.403 987 F HA 0.645 5.171 4.527 -0.001 0.000 0.355 987 F C -0.331 175.700 175.800 0.385 0.000 1.119 987 F CA -0.821 57.487 58.000 0.513 0.000 1.007 987 F CB 1.474 40.805 39.000 0.553 0.000 1.194 987 F HN 0.251 nan 8.300 nan 0.000 0.443 988 V N 7.822 127.620 119.914 -0.193 0.000 2.350 988 V HA 0.282 4.401 4.120 -0.001 0.000 0.276 988 V C 0.128 175.959 176.094 -0.438 0.000 1.028 988 V CA -0.497 61.747 62.300 -0.095 0.000 0.860 988 V CB 1.296 33.208 31.823 0.148 0.000 0.990 988 V HN 0.699 nan 8.190 nan 0.000 0.453 989 M N 4.420 123.840 119.600 -0.300 0.000 2.261 989 M HA 0.288 4.768 4.480 -0.001 0.000 0.349 989 M C -0.224 176.025 176.300 -0.086 0.000 1.305 989 M CA -0.171 54.957 55.300 -0.288 0.000 1.240 989 M CB 0.355 32.896 32.600 -0.099 0.000 1.394 989 M HN 0.483 nan 8.290 nan 0.000 0.438 990 D N 2.404 122.750 120.400 -0.090 0.000 2.365 990 D HA 0.092 4.731 4.640 -0.001 0.000 0.237 990 D C 0.885 177.080 176.300 -0.175 0.000 1.190 990 D CA 0.115 54.108 54.000 -0.012 0.000 0.867 990 D CB 1.051 41.982 40.800 0.219 0.000 1.050 990 D HN 0.651 nan 8.370 nan 0.000 0.491 991 T N -0.004 114.475 114.554 -0.125 0.000 3.069 991 T HA 0.087 4.437 4.350 -0.001 0.000 0.252 991 T C 0.560 175.186 174.700 -0.123 0.000 1.053 991 T CA -0.278 61.727 62.100 -0.158 0.000 0.964 991 T CB -0.175 68.651 68.868 -0.071 0.000 1.005 991 T HN 0.578 nan 8.240 nan 0.000 0.532 992 E N -0.080 120.060 120.200 -0.101 0.000 2.722 992 E HA -0.166 4.184 4.350 -0.001 0.000 0.265 992 E C -0.055 176.499 176.600 -0.076 0.000 1.081 992 E CA 0.605 56.963 56.400 -0.070 0.000 0.781 992 E CB -2.539 27.197 29.700 0.060 0.000 1.372 992 E HN 0.825 nan 8.360 nan 0.000 0.423 993 V N -4.865 114.994 119.914 -0.093 0.000 3.279 993 V HA 0.355 4.474 4.120 -0.001 0.000 0.281 993 V C -0.983 175.086 176.094 -0.042 0.000 1.601 993 V CA -1.302 60.970 62.300 -0.047 0.000 1.044 993 V CB 0.842 32.666 31.823 0.002 0.000 1.205 993 V HN 0.061 nan 8.190 nan 0.000 0.464 994 Y N 1.665 121.979 120.300 0.023 0.000 2.613 994 Y HA 0.445 4.995 4.550 -0.001 0.000 0.354 994 Y C 1.811 177.709 175.900 -0.003 0.000 1.063 994 Y CA 0.848 58.967 58.100 0.031 0.000 1.384 994 Y CB 1.109 39.573 38.460 0.006 0.000 1.199 994 Y HN 0.775 nan 8.280 nan 0.000 0.517 995 S N 1.905 117.674 115.700 0.115 0.000 2.329 995 S HA -0.209 4.261 4.470 -0.001 0.000 0.215 995 S C 1.928 176.562 174.600 0.056 0.000 1.031 995 S CA 1.374 59.616 58.200 0.069 0.000 0.985 995 S CB -0.272 62.966 63.200 0.064 0.000 0.917 995 S HN 0.805 nan 8.310 nan 0.000 0.441 996 N N 1.189 119.923 118.700 0.055 0.000 2.192 996 N HA -0.139 4.601 4.740 -0.001 0.000 0.188 996 N C 1.441 176.943 175.510 -0.014 0.000 1.013 996 N CA 1.989 55.052 53.050 0.022 0.000 0.863 996 N CB -0.287 38.200 38.487 0.000 0.000 0.990 996 N HN 0.552 nan 8.380 nan 0.000 0.430 997 T N -4.328 110.215 114.554 -0.019 0.000 3.129 997 T HA 0.338 4.688 4.350 -0.001 0.000 0.251 997 T C 1.090 175.759 174.700 -0.052 0.000 1.117 997 T CA 0.251 62.316 62.100 -0.057 0.000 1.034 997 T CB 0.178 68.982 68.868 -0.107 0.000 0.968 997 T HN 0.281 nan 8.240 nan 0.000 0.526 998 G N 0.520 109.303 108.800 -0.028 0.000 2.245 998 G HA2 0.319 4.279 3.960 -0.001 0.000 0.130 998 G HA3 0.319 4.279 3.960 -0.001 0.000 0.130 998 G C 0.668 175.542 174.900 -0.043 0.000 1.040 998 G CA -0.213 44.859 45.100 -0.046 0.000 0.713 998 G HN 1.462 nan 8.290 nan 0.000 0.488 999 G N -1.205 107.593 108.800 -0.002 0.000 2.314 999 G HA2 -0.058 3.901 3.960 -0.001 0.000 0.292 999 G HA3 -0.058 3.901 3.960 -0.001 0.000 0.292 999 G C 0.193 175.102 174.900 0.016 0.000 1.059 999 G CA 0.989 46.090 45.100 0.002 0.000 0.982 999 G HN 1.121 nan 8.290 nan 0.000 0.505 1000 Q N 0.126 119.986 119.800 0.099 0.000 2.259 1000 Q HA 0.614 4.953 4.340 -0.001 0.000 0.246 1000 Q C 0.833 177.014 176.000 0.303 0.000 0.920 1000 Q CA 0.207 56.105 55.803 0.158 0.000 0.895 1000 Q CB 1.385 30.193 28.738 0.116 0.000 1.220 1000 Q HN 0.428 nan 8.270 nan 0.000 0.439 1001 S N 1.165 117.017 115.700 0.253 0.000 2.568 1001 S HA 0.344 4.813 4.470 -0.001 0.000 0.282 1001 S C -0.216 174.582 174.600 0.330 0.000 1.338 1001 S CA 0.009 58.338 58.200 0.214 0.000 1.045 1001 S CB 0.125 63.427 63.200 0.171 0.000 0.873 1001 S HN 0.645 nan 8.310 nan 0.000 0.516 1002 S N 3.219 118.995 115.700 0.127 0.000 2.667 1002 S HA 0.505 4.975 4.470 -0.001 0.000 0.292 1002 S C 0.253 174.840 174.600 -0.022 0.000 1.126 1002 S CA -0.984 57.231 58.200 0.025 0.000 0.881 1002 S CB 1.269 64.231 63.200 -0.396 0.000 1.132 1002 S HN 0.734 nan 8.310 nan 0.000 0.492 1003 K N 0.200 120.587 120.400 -0.023 0.000 2.574 1003 K HA 0.061 4.380 4.320 -0.001 0.000 0.193 1003 K C 1.583 178.085 176.600 -0.163 0.000 1.035 1003 K CA 0.851 57.121 56.287 -0.028 0.000 0.982 1003 K CB -0.381 32.136 32.500 0.029 0.000 0.795 1003 K HN 0.673 nan 8.250 nan 0.000 0.491 1004 A N 0.847 123.414 122.820 -0.422 0.000 2.178 1004 A HA 0.027 4.347 4.320 -0.001 0.000 0.211 1004 A C 0.813 178.240 177.584 -0.261 0.000 1.157 1004 A CA 0.240 51.837 52.037 -0.735 0.000 0.780 1004 A CB 0.063 18.299 19.000 -1.274 0.000 0.828 1004 A HN 0.075 nan 8.150 nan 0.000 0.476 1005 T N 3.732 118.207 114.554 -0.131 0.000 2.888 1005 T HA 0.308 4.657 4.350 -0.001 0.000 0.301 1005 T C -2.308 172.428 174.700 0.059 0.000 1.001 1005 T CA -0.506 61.588 62.100 -0.011 0.000 1.147 1005 T CB 0.870 69.742 68.868 0.006 0.000 0.931 1005 T HN 0.296 nan 8.240 nan 0.000 0.541 1006 P HA 0.162 nan 4.420 nan 0.000 0.276 1006 P C -0.247 177.195 177.300 0.237 0.000 1.252 1006 P CA -0.537 62.707 63.100 0.241 0.000 0.802 1006 P CB 0.421 32.403 31.700 0.471 0.000 1.035 1007 T N 0.876 115.567 114.554 0.228 0.000 2.934 1007 T HA 0.276 4.626 4.350 -0.001 0.000 0.306 1007 T C 1.466 176.346 174.700 0.301 0.000 1.042 1007 T CA 1.885 64.109 62.100 0.205 0.000 1.145 1007 T CB -0.667 68.302 68.868 0.168 0.000 0.982 1007 T HN 0.812 nan 8.240 nan 0.000 0.544 1008 G N 2.240 111.177 108.800 0.228 0.000 2.245 1008 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.264 1008 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.264 1008 G C 0.367 175.405 174.900 0.229 0.000 0.985 1008 G CA 0.107 45.369 45.100 0.270 0.000 0.625 1008 G HN 1.215 nan 8.290 nan 0.000 0.536 1009 A N 0.085 122.967 122.820 0.104 0.000 2.462 1009 A HA 0.616 4.935 4.320 -0.001 0.000 0.243 1009 A C 0.587 178.039 177.584 -0.220 0.000 1.076 1009 A CA 0.493 52.280 52.037 -0.416 0.000 0.773 1009 A CB 0.819 19.580 19.000 -0.397 0.000 1.010 1009 A HN 1.162 nan 8.150 nan 0.000 0.493 1010 V N 1.657 121.405 119.914 -0.276 0.000 2.465 1010 V HA 0.664 4.784 4.120 -0.001 0.000 0.279 1010 V C 0.601 176.612 176.094 -0.138 0.000 1.045 1010 V CA 0.681 62.899 62.300 -0.136 0.000 0.938 1010 V CB 0.516 32.284 31.823 -0.091 0.000 0.986 1010 V HN 1.413 nan 8.190 nan 0.000 0.467 1011 A N 4.778 127.542 122.820 -0.093 0.000 2.586 1011 A HA 0.710 5.029 4.320 -0.001 0.000 0.290 1011 A C -1.116 176.401 177.584 -0.113 0.000 1.086 1011 A CA -1.004 50.980 52.037 -0.088 0.000 0.665 1011 A CB 1.232 20.203 19.000 -0.049 0.000 1.279 1011 A HN 0.509 nan 8.150 nan 0.000 0.423 1012 K N 0.402 120.698 120.400 -0.173 0.000 2.451 1012 K HA 0.368 4.688 4.320 -0.001 0.000 0.280 1012 K C -0.488 175.898 176.600 -0.356 0.000 1.020 1012 K CA 0.480 56.519 56.287 -0.413 0.000 1.008 1012 K CB -0.807 31.370 32.500 -0.538 0.000 0.917 1012 K HN 0.928 nan 8.250 nan 0.000 0.478 1013 F N -0.587 119.344 119.950 -0.033 0.000 2.926 1013 F HA -0.309 4.218 4.527 -0.001 0.000 0.288 1013 F C 0.472 176.272 175.800 -0.000 0.000 0.756 1013 F CA 0.690 58.682 58.000 -0.014 0.000 1.292 1013 F CB -1.686 37.306 39.000 -0.014 0.000 1.482 1013 F HN 0.623 nan 8.300 nan 0.000 0.400 1014 A N -0.589 122.262 122.820 0.052 0.000 3.076 1014 A HA 0.729 5.049 4.320 -0.001 0.000 0.192 1014 A C 0.698 178.275 177.584 -0.011 0.000 1.076 1014 A CA 0.226 52.286 52.037 0.038 0.000 1.235 1014 A CB -0.548 18.482 19.000 0.050 0.000 1.249 1014 A HN 0.814 nan 8.150 nan 0.000 0.622 1015 A N -0.466 122.336 122.820 -0.031 0.000 2.239 1015 A HA 0.484 4.803 4.320 -0.001 0.000 0.209 1015 A C 1.470 179.057 177.584 0.004 0.000 1.171 1015 A CA 1.408 53.427 52.037 -0.030 0.000 0.768 1015 A CB -0.189 18.780 19.000 -0.051 0.000 0.790 1015 A HN 1.608 nan 8.150 nan 0.000 0.478 1016 A N -1.075 121.726 122.820 -0.031 0.000 2.589 1016 A HA 0.539 4.859 4.320 -0.001 0.000 0.283 1016 A C 0.935 178.501 177.584 -0.030 0.000 1.187 1016 A CA 0.503 52.479 52.037 -0.101 0.000 0.957 1016 A CB -0.582 18.277 19.000 -0.235 0.000 1.175 1016 A HN 1.938 nan 8.150 nan 0.000 0.532 1017 G N 0.258 109.064 108.800 0.009 0.000 3.039 1017 G HA2 -0.103 3.857 3.960 -0.001 0.000 0.686 1017 G HA3 -0.103 3.857 3.960 -0.001 0.000 0.686 1017 G C -0.398 174.523 174.900 0.036 0.000 1.066 1017 G CA -0.226 44.895 45.100 0.035 0.000 0.774 1017 G HN 0.658 nan 8.290 nan 0.000 0.591 1018 K N 1.244 121.671 120.400 0.046 0.000 2.451 1018 K HA 0.232 4.552 4.320 -0.001 0.000 0.280 1018 K C 0.946 177.585 176.600 0.066 0.000 1.020 1018 K CA -0.200 56.121 56.287 0.057 0.000 1.008 1018 K CB 0.249 32.787 32.500 0.064 0.000 0.917 1018 K HN 0.368 nan 8.250 nan 0.000 0.478 1019 R N 2.268 122.800 120.500 0.053 0.000 2.466 1019 R HA 0.080 4.420 4.340 -0.001 0.000 0.279 1019 R C -0.311 176.018 176.300 0.048 0.000 0.976 1019 R CA 0.033 56.162 56.100 0.048 0.000 1.081 1019 R CB -0.076 30.243 30.300 0.031 0.000 1.215 1019 R HN 0.759 nan 8.270 nan 0.000 0.546 1020 T N -3.461 111.126 114.554 0.055 0.000 2.912 1020 T HA 0.656 5.005 4.350 -0.001 0.000 0.299 1020 T C 0.518 175.252 174.700 0.057 0.000 1.052 1020 T CA -0.755 61.373 62.100 0.048 0.000 0.996 1020 T CB 2.721 71.612 68.868 0.039 0.000 1.070 1020 T HN 0.092 nan 8.240 nan 0.000 0.465 1021 G N 1.093 109.924 108.800 0.051 0.000 2.699 1021 G HA2 0.345 4.305 3.960 -0.001 0.000 0.246 1021 G HA3 0.345 4.305 3.960 -0.001 0.000 0.246 1021 G C -0.268 174.658 174.900 0.043 0.000 1.219 1021 G CA -0.823 44.310 45.100 0.055 0.000 0.866 1021 G HN 0.994 nan 8.290 nan 0.000 0.572 1022 K N 0.356 120.781 120.400 0.042 0.000 2.379 1022 K HA 0.096 4.415 4.320 -0.001 0.000 0.284 1022 K C 0.638 177.255 176.600 0.028 0.000 1.044 1022 K CA -0.378 55.924 56.287 0.024 0.000 0.974 1022 K CB 0.402 32.918 32.500 0.025 0.000 0.962 1022 K HN 0.473 nan 8.250 nan 0.000 0.474 1023 K N 3.565 123.993 120.400 0.046 0.000 2.489 1023 K HA -0.107 4.213 4.320 -0.001 0.000 0.278 1023 K C -0.424 176.239 176.600 0.105 0.000 1.000 1023 K CA 0.134 56.461 56.287 0.067 0.000 1.012 1023 K CB 0.493 33.053 32.500 0.099 0.000 0.903 1023 K HN 0.507 nan 8.250 nan 0.000 0.485 1024 D N 5.422 125.819 120.400 -0.005 0.000 2.564 1024 D HA 0.022 4.661 4.640 -0.001 0.000 0.226 1024 D C 0.922 177.154 176.300 -0.115 0.000 1.149 1024 D CA -0.258 53.718 54.000 -0.039 0.000 0.994 1024 D CB 0.292 41.043 40.800 -0.081 0.000 1.029 1024 D HN 0.568 nan 8.370 nan 0.000 0.517 1025 L N 3.335 124.449 121.223 -0.181 0.000 2.042 1025 L HA -0.128 4.212 4.340 -0.001 0.000 0.210 1025 L C 2.042 178.796 176.870 -0.193 0.000 1.076 1025 L CA 2.264 56.887 54.840 -0.362 0.000 0.749 1025 L CB -0.570 40.988 42.059 -0.836 0.000 0.893 1025 L HN 0.288 nan 8.230 nan 0.000 0.432 1026 A N -0.318 122.438 122.820 -0.106 0.000 1.865 1026 A HA -0.239 4.081 4.320 -0.001 0.000 0.217 1026 A C 2.428 179.951 177.584 -0.102 0.000 1.191 1026 A CA 1.982 54.012 52.037 -0.012 0.000 0.623 1026 A CB -0.628 18.490 19.000 0.197 0.000 0.826 1026 A HN 0.516 nan 8.150 nan 0.000 0.444 1027 R N -1.328 119.078 120.500 -0.157 0.000 2.120 1027 R HA -0.043 4.297 4.340 -0.001 0.000 0.234 1027 R C 2.224 178.382 176.300 -0.237 0.000 1.123 1027 R CA 1.517 57.467 56.100 -0.249 0.000 0.975 1027 R CB -0.389 29.760 30.300 -0.252 0.000 0.866 1027 R HN 0.584 nan 8.270 nan 0.000 0.446 1028 M N -0.068 119.421 119.600 -0.185 0.000 2.132 1028 M HA -0.137 4.342 4.480 -0.001 0.000 0.263 1028 M C 2.208 178.394 176.300 -0.190 0.000 1.065 1028 M CA 1.332 56.527 55.300 -0.174 0.000 1.122 1028 M CB 0.013 32.548 32.600 -0.108 0.000 1.365 1028 M HN -0.058 nan 8.290 nan 0.000 0.411 1029 V N -0.009 119.835 119.914 -0.117 0.000 2.548 1029 V HA -0.220 3.899 4.120 -0.001 0.000 0.249 1029 V C 2.198 178.204 176.094 -0.146 0.000 1.055 1029 V CA 1.402 63.688 62.300 -0.023 0.000 1.065 1029 V CB -0.505 31.329 31.823 0.019 0.000 0.681 1029 V HN 0.512 nan 8.190 nan 0.000 0.462 1030 M N 0.644 120.056 119.600 -0.313 0.000 2.446 1030 M HA -0.137 4.342 4.480 -0.001 0.000 0.263 1030 M C 2.225 178.196 176.300 -0.548 0.000 1.066 1030 M CA 1.875 56.814 55.300 -0.602 0.000 1.087 1030 M CB -0.596 31.571 32.600 -0.722 0.000 1.406 1030 M HN 0.652 nan 8.290 nan 0.000 0.459 1031 T N -2.580 111.723 114.554 -0.418 0.000 3.007 1031 T HA -0.154 4.196 4.350 -0.001 0.000 0.270 1031 T C 1.351 175.831 174.700 -0.366 0.000 1.107 1031 T CA 0.911 62.784 62.100 -0.378 0.000 1.118 1031 T CB -0.536 68.098 68.868 -0.391 0.000 0.889 1031 T HN 0.314 nan 8.240 nan 0.000 0.506 1032 Y N 2.154 122.253 120.300 -0.336 0.000 2.242 1032 Y HA 0.222 4.772 4.550 -0.001 0.000 0.291 1032 Y C 2.589 178.277 175.900 -0.354 0.000 1.137 1032 Y CA 0.614 58.446 58.100 -0.446 0.000 1.181 1032 Y CB -0.823 37.191 38.460 -0.744 0.000 0.989 1032 Y HN 0.446 nan 8.280 nan 0.000 0.527 1033 G N -0.837 107.910 108.800 -0.087 0.000 2.347 1033 G HA2 -0.402 3.557 3.960 -0.001 0.000 0.247 1033 G HA3 -0.402 3.557 3.960 -0.001 0.000 0.247 1033 G C 0.777 175.874 174.900 0.329 0.000 1.037 1033 G CA 0.723 45.929 45.100 0.176 0.000 0.622 1033 G HN 0.580 nan 8.290 nan 0.000 0.521 1034 Y N -0.182 120.291 120.300 0.288 0.000 2.584 1034 Y HA 0.759 5.308 4.550 -0.001 0.000 0.254 1034 Y C 0.366 176.487 175.900 0.369 0.000 1.177 1034 Y CA -0.813 57.478 58.100 0.318 0.000 1.216 1034 Y CB -0.029 38.570 38.460 0.232 0.000 1.172 1034 Y HN 0.217 nan 8.280 nan 0.000 0.529 1035 V N 1.832 121.848 119.914 0.170 0.000 2.417 1035 V HA 0.165 4.285 4.120 -0.001 0.000 0.291 1035 V C -0.831 175.311 176.094 0.081 0.000 1.024 1035 V CA -1.227 61.182 62.300 0.182 0.000 0.861 1035 V CB 1.138 32.960 31.823 -0.002 0.000 0.985 1035 V HN 0.317 nan 8.190 nan 0.000 0.436 1036 Y N 5.199 125.348 120.300 -0.251 0.000 2.496 1036 Y HA 0.475 5.024 4.550 -0.001 0.000 0.334 1036 Y C -0.245 175.646 175.900 -0.014 0.000 1.080 1036 Y CA 0.228 58.124 58.100 -0.340 0.000 1.355 1036 Y CB 0.875 38.940 38.460 -0.657 0.000 1.193 1036 Y HN 0.410 nan 8.280 nan 0.000 0.523 1037 V N 5.947 125.734 119.914 -0.211 0.000 2.656 1037 V HA 0.897 5.016 4.120 -0.001 0.000 0.307 1037 V C -0.575 175.496 176.094 -0.040 0.000 1.051 1037 V CA -0.428 61.875 62.300 0.005 0.000 0.893 1037 V CB 1.282 33.142 31.823 0.061 0.000 0.999 1037 V HN 0.941 nan 8.190 nan 0.000 0.426 1038 A N 2.831 125.726 122.820 0.125 0.000 2.606 1038 A HA 0.963 5.283 4.320 -0.001 0.000 0.293 1038 A C -0.433 177.150 177.584 -0.001 0.000 1.082 1038 A CA -0.348 51.740 52.037 0.086 0.000 0.685 1038 A CB 2.246 21.383 19.000 0.228 0.000 1.284 1038 A HN 0.957 nan 8.150 nan 0.000 0.408 1039 T N -1.242 113.148 114.554 -0.273 0.000 2.887 1039 T HA 0.824 5.174 4.350 -0.001 0.000 0.288 1039 T C -0.149 174.603 174.700 0.086 0.000 1.021 1039 T CA -0.097 61.869 62.100 -0.223 0.000 1.000 1039 T CB 0.990 69.370 68.868 -0.813 0.000 1.034 1039 T HN 2.127 nan 8.240 nan 0.000 0.467 1040 V N -1.783 118.351 119.914 0.365 0.000 3.181 1040 V HA 0.991 5.110 4.120 -0.001 0.000 0.308 1040 V C -0.616 175.775 176.094 0.496 0.000 1.214 1040 V CA -0.854 61.715 62.300 0.448 0.000 1.053 1040 V CB 1.696 33.861 31.823 0.569 0.000 1.069 1040 V HN 1.224 nan 8.190 nan 0.000 0.441 1041 S N 1.429 117.383 115.700 0.423 0.000 2.325 1041 S HA 0.285 4.754 4.470 -0.001 0.000 0.228 1041 S C 0.285 175.060 174.600 0.292 0.000 0.942 1041 S CA 0.099 58.504 58.200 0.343 0.000 1.070 1041 S CB 1.003 64.342 63.200 0.232 0.000 1.232 1041 S HN 1.103 nan 8.310 nan 0.000 0.405 1042 M N 4.050 123.748 119.600 0.163 0.000 2.088 1042 M HA -0.087 4.393 4.480 -0.001 0.000 0.256 1042 M C 1.974 178.317 176.300 0.072 0.000 1.071 1042 M CA 2.787 58.078 55.300 -0.015 0.000 1.097 1042 M CB -0.781 31.577 32.600 -0.404 0.000 1.315 1042 M HN 0.811 nan 8.290 nan 0.000 0.406 1043 G N -1.415 107.433 108.800 0.080 0.000 2.475 1043 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.220 1043 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.220 1043 G C 1.196 176.166 174.900 0.117 0.000 1.125 1043 G CA 1.220 46.371 45.100 0.085 0.000 0.755 1043 G HN 0.641 nan 8.290 nan 0.000 0.565 1044 Y N 0.768 121.099 120.300 0.052 0.000 2.206 1044 Y HA 0.300 4.850 4.550 -0.001 0.000 0.292 1044 Y C 1.110 177.042 175.900 0.053 0.000 1.123 1044 Y CA 1.196 59.327 58.100 0.052 0.000 1.142 1044 Y CB 0.293 38.799 38.460 0.077 0.000 1.006 1044 Y HN 0.160 nan 8.280 nan 0.000 0.518 1045 S N -0.204 115.594 115.700 0.163 0.000 2.706 1045 S HA 0.289 4.759 4.470 -0.001 0.000 0.270 1045 S C -0.177 174.510 174.600 0.145 0.000 1.163 1045 S CA -0.802 57.433 58.200 0.059 0.000 1.042 1045 S CB 0.995 64.267 63.200 0.120 0.000 1.079 1045 S HN 0.350 nan 8.310 nan 0.000 0.474 1046 K N 2.694 123.098 120.400 0.007 0.000 2.217 1046 K HA -0.007 4.312 4.320 -0.001 0.000 0.202 1046 K C 1.850 178.482 176.600 0.053 0.000 1.051 1046 K CA 0.999 57.273 56.287 -0.020 0.000 0.952 1046 K CB 0.050 32.202 32.500 -0.579 0.000 0.736 1046 K HN 0.631 nan 8.250 nan 0.000 0.453 1047 Q N 0.511 120.311 119.800 0.000 0.000 2.083 1047 Q HA -0.134 4.206 4.340 -0.001 0.000 0.198 1047 Q C 2.260 178.333 176.000 0.122 0.000 0.969 1047 Q CA 0.944 56.763 55.803 0.027 0.000 0.838 1047 Q CB 0.060 28.791 28.738 -0.010 0.000 0.900 1047 Q HN 0.236 nan 8.270 nan 0.000 0.436 1048 Q N 0.232 120.140 119.800 0.180 0.000 2.167 1048 Q HA -0.172 4.168 4.340 -0.001 0.000 0.202 1048 Q C 1.834 178.035 176.000 0.334 0.000 0.970 1048 Q CA 1.033 56.977 55.803 0.235 0.000 0.855 1048 Q CB -0.075 28.824 28.738 0.269 0.000 0.911 1048 Q HN 0.324 nan 8.270 nan 0.000 0.438 1049 F N 1.139 121.228 119.950 0.231 0.000 2.075 1049 F HA -0.165 4.361 4.527 -0.001 0.000 0.297 1049 F C 1.962 177.927 175.800 0.276 0.000 1.113 1049 F CA 1.288 59.470 58.000 0.304 0.000 1.218 1049 F CB -0.741 38.478 39.000 0.365 0.000 0.984 1049 F HN 0.038 nan 8.300 nan 0.000 0.472 1050 L N 0.445 121.671 121.223 0.004 0.000 2.042 1050 L HA -0.252 4.087 4.340 -0.001 0.000 0.210 1050 L C 2.670 179.538 176.870 -0.003 0.000 1.076 1050 L CA 1.944 56.709 54.840 -0.126 0.000 0.749 1050 L CB -0.857 41.200 42.059 -0.004 0.000 0.893 1050 L HN 0.166 nan 8.230 nan 0.000 0.432 1051 K N 0.206 120.654 120.400 0.081 0.000 2.026 1051 K HA -0.178 4.141 4.320 -0.001 0.000 0.208 1051 K C 2.072 178.762 176.600 0.150 0.000 1.048 1051 K CA 1.633 57.985 56.287 0.109 0.000 0.929 1051 K CB -0.090 32.483 32.500 0.121 0.000 0.713 1051 K HN 0.065 nan 8.250 nan 0.000 0.439 1052 V N 2.058 122.098 119.914 0.209 0.000 2.255 1052 V HA -0.285 3.834 4.120 -0.001 0.000 0.247 1052 V C 2.434 178.668 176.094 0.233 0.000 1.051 1052 V CA 1.766 64.243 62.300 0.295 0.000 1.018 1052 V CB -0.365 31.701 31.823 0.406 0.000 0.641 1052 V HN 0.360 nan 8.190 nan 0.000 0.445 1053 L N -0.502 120.821 121.223 0.166 0.000 2.013 1053 L HA -0.229 4.110 4.340 -0.001 0.000 0.212 1053 L C 2.764 179.838 176.870 0.339 0.000 1.073 1053 L CA 1.672 56.661 54.840 0.249 0.000 0.753 1053 L CB -0.717 41.349 42.059 0.011 0.000 0.890 1053 L HN 0.292 nan 8.230 nan 0.000 0.432 1054 K N 0.187 120.731 120.400 0.239 0.000 2.057 1054 K HA -0.145 4.175 4.320 -0.001 0.000 0.206 1054 K C 1.913 178.572 176.600 0.099 0.000 1.050 1054 K CA 1.286 57.717 56.287 0.239 0.000 0.935 1054 K CB -0.282 32.312 32.500 0.158 0.000 0.715 1054 K HN 0.451 nan 8.250 nan 0.000 0.439 1055 E N 0.445 120.658 120.200 0.022 0.000 2.150 1055 E HA -0.097 4.253 4.350 -0.001 0.000 0.193 1055 E C 1.970 178.260 176.600 -0.517 0.000 0.985 1055 E CA 0.895 57.214 56.400 -0.136 0.000 0.814 1055 E CB -0.017 29.673 29.700 -0.017 0.000 0.752 1055 E HN 0.272 nan 8.360 nan 0.000 0.466 1056 A N 1.495 123.991 122.820 -0.539 0.000 1.872 1056 A HA -0.174 4.146 4.320 -0.001 0.000 0.214 1056 A C 2.142 179.565 177.584 -0.269 0.000 1.187 1056 A CA 1.042 52.706 52.037 -0.620 0.000 0.614 1056 A CB -0.249 18.651 19.000 -0.167 0.000 0.826 1056 A HN 0.068 nan 8.150 nan 0.000 0.442 1057 E N 0.812 120.911 120.200 -0.168 0.000 2.110 1057 E HA -0.141 4.208 4.350 -0.001 0.000 0.193 1057 E C 2.222 178.728 176.600 -0.156 0.000 0.988 1057 E CA 1.599 57.843 56.400 -0.260 0.000 0.804 1057 E CB -0.200 29.237 29.700 -0.439 0.000 0.745 1057 E HN 0.656 nan 8.360 nan 0.000 0.458 1058 S N -0.283 115.380 115.700 -0.062 0.000 2.522 1058 S HA -0.045 4.424 4.470 -0.001 0.000 0.227 1058 S C 0.800 175.415 174.600 0.024 0.000 0.986 1058 S CA -0.442 57.753 58.200 -0.009 0.000 0.929 1058 S CB -0.481 62.740 63.200 0.036 0.000 0.769 1058 S HN 0.173 nan 8.310 nan 0.000 0.529 1059 F N 5.559 125.415 119.950 -0.158 0.000 2.541 1059 F HA 0.351 4.878 4.527 -0.001 0.000 0.378 1059 F C -2.247 173.517 175.800 -0.061 0.000 1.068 1059 F CA -2.888 55.055 58.000 -0.096 0.000 1.199 1059 F CB 0.769 39.700 39.000 -0.115 0.000 1.091 1059 F HN 0.026 nan 8.300 nan 0.000 0.555 1060 P HA 0.270 nan 4.420 nan 0.000 0.220 1060 P C -0.182 176.679 177.300 -0.732 0.000 1.778 1060 P CA 0.298 63.092 63.100 -0.510 0.000 0.912 1060 P CB 0.001 31.511 31.700 -0.316 0.000 1.861 1061 G N 0.836 109.126 108.800 -0.850 0.000 2.570 1061 G HA2 0.470 4.430 3.960 -0.001 0.000 0.310 1061 G HA3 0.470 4.430 3.960 -0.001 0.000 0.310 1061 G C -3.539 171.382 174.900 0.034 0.000 1.266 1061 G CA -1.070 43.745 45.100 -0.475 0.000 0.825 1061 G HN -0.168 nan 8.290 nan 0.000 0.483 1062 P HA 0.499 nan 4.420 nan 0.000 0.285 1062 P C -0.827 176.707 177.300 0.391 0.000 1.259 1062 P CA -0.103 63.160 63.100 0.272 0.000 0.794 1062 P CB 1.655 33.469 31.700 0.190 0.000 0.940 1063 S N 2.188 118.029 115.700 0.234 0.000 2.521 1063 S HA 0.647 5.116 4.470 -0.001 0.000 0.295 1063 S C -1.130 173.596 174.600 0.211 0.000 1.098 1063 S CA -0.454 57.892 58.200 0.242 0.000 0.999 1063 S CB 0.848 64.117 63.200 0.115 0.000 1.034 1063 S HN 0.314 nan 8.310 nan 0.000 0.483 1064 L N 3.891 125.280 121.223 0.276 0.000 2.376 1064 L HA 0.753 5.093 4.340 -0.001 0.000 0.275 1064 L C -1.578 175.486 176.870 0.324 0.000 0.987 1064 L CA -0.437 54.560 54.840 0.262 0.000 0.828 1064 L CB 1.496 43.661 42.059 0.177 0.000 1.249 1064 L HN 0.454 nan 8.230 nan 0.000 0.409 1065 V N 6.653 126.803 119.914 0.394 0.000 2.444 1065 V HA 0.505 4.625 4.120 -0.001 0.000 0.294 1065 V C -0.074 176.193 176.094 0.288 0.000 1.022 1065 V CA -0.412 62.157 62.300 0.449 0.000 0.850 1065 V CB 1.656 33.921 31.823 0.736 0.000 0.992 1065 V HN 0.611 nan 8.190 nan 0.000 0.426 1066 I N 4.398 125.091 120.570 0.204 0.000 2.330 1066 I HA 0.711 4.881 4.170 -0.001 0.000 0.289 1066 I C 0.385 176.652 176.117 0.250 0.000 1.001 1066 I CA -0.411 60.979 61.300 0.150 0.000 1.193 1066 I CB 1.641 39.742 38.000 0.168 0.000 1.345 1066 I HN 0.655 nan 8.210 nan 0.000 0.461 1067 A N 5.982 128.793 122.820 -0.016 0.000 2.317 1067 A HA 0.461 4.781 4.320 -0.001 0.000 0.327 1067 A C -1.107 176.346 177.584 -0.219 0.000 1.178 1067 A CA -0.442 51.510 52.037 -0.142 0.000 0.817 1067 A CB 0.718 19.205 19.000 -0.855 0.000 1.189 1067 A HN 0.628 nan 8.150 nan 0.000 0.489 1068 Y N 2.289 122.279 120.300 -0.517 0.000 2.480 1068 Y HA 0.405 4.954 4.550 -0.001 0.000 0.341 1068 Y C 0.362 176.047 175.900 -0.358 0.000 1.031 1068 Y CA 0.046 57.557 58.100 -0.981 0.000 1.295 1068 Y CB 0.355 37.958 38.460 -1.429 0.000 1.162 1068 Y HN 0.779 nan 8.280 nan 0.000 0.523 1069 A N 5.362 127.763 122.820 -0.698 0.000 2.291 1069 A HA 0.505 4.824 4.320 -0.001 0.000 0.311 1069 A C -0.055 177.275 177.584 -0.423 0.000 1.224 1069 A CA -0.418 51.418 52.037 -0.336 0.000 0.821 1069 A CB 0.040 18.931 19.000 -0.183 0.000 1.172 1069 A HN 0.789 nan 8.150 nan 0.000 0.494 1070 T N -0.922 113.497 114.554 -0.225 0.000 2.898 1070 T HA 0.484 4.834 4.350 -0.001 0.000 0.301 1070 T C 0.053 174.700 174.700 -0.088 0.000 1.049 1070 T CA -0.456 61.555 62.100 -0.148 0.000 1.095 1070 T CB 0.988 69.850 68.868 -0.011 0.000 0.976 1070 T HN 1.333 nan 8.240 nan 0.000 0.539 1071 C N 3.374 122.634 119.300 -0.067 0.000 3.170 1071 C HA 0.509 4.969 4.460 -0.001 0.000 0.319 1071 C C 1.746 176.724 174.990 -0.020 0.000 1.260 1071 C CA -0.894 58.105 59.018 -0.032 0.000 1.374 1071 C CB 0.155 27.873 27.740 -0.036 0.000 1.739 1071 C HN 1.102 nan 8.230 nan 0.000 0.479 1072 I N 1.275 121.842 120.570 -0.004 0.000 2.423 1072 I HA -0.132 4.038 4.170 -0.001 0.000 0.254 1072 I C 1.626 177.732 176.117 -0.018 0.000 1.151 1072 I CA 2.096 63.394 61.300 -0.005 0.000 1.421 1072 I CB -0.603 37.402 38.000 0.008 0.000 1.079 1072 I HN 0.768 nan 8.210 nan 0.000 0.431 1073 N N 0.954 119.641 118.700 -0.023 0.000 2.364 1073 N HA -0.172 4.568 4.740 -0.001 0.000 0.183 1073 N C 1.748 177.224 175.510 -0.058 0.000 1.022 1073 N CA 1.027 54.054 53.050 -0.038 0.000 0.883 1073 N CB -0.120 38.348 38.487 -0.032 0.000 0.965 1073 N HN 0.604 nan 8.380 nan 0.000 0.438 1074 Q N -0.049 119.718 119.800 -0.055 0.000 2.378 1074 Q HA 0.066 4.406 4.340 -0.001 0.000 0.205 1074 Q C 0.696 176.659 176.000 -0.061 0.000 0.954 1074 Q CA 0.402 56.164 55.803 -0.068 0.000 0.901 1074 Q CB 0.405 29.117 28.738 -0.043 0.000 0.981 1074 Q HN 0.358 nan 8.270 nan 0.000 0.483 1075 G N 1.686 110.459 108.800 -0.044 0.000 2.353 1075 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.294 1075 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.294 1075 G C -0.296 174.587 174.900 -0.029 0.000 1.077 1075 G CA -0.323 44.755 45.100 -0.035 0.000 1.098 1075 G HN 0.231 nan 8.290 nan 0.000 0.511 1076 L N 0.935 122.145 121.223 -0.022 0.000 2.597 1076 L HA 0.107 4.447 4.340 -0.001 0.000 0.271 1076 L C 2.194 179.055 176.870 -0.014 0.000 1.157 1076 L CA -0.560 54.269 54.840 -0.020 0.000 0.928 1076 L CB 0.221 42.277 42.059 -0.004 0.000 1.216 1076 L HN 0.326 nan 8.230 nan 0.000 0.481 1077 R N 2.923 123.411 120.500 -0.019 0.000 2.139 1077 R HA -0.167 4.173 4.340 -0.001 0.000 0.243 1077 R C 1.033 177.329 176.300 -0.006 0.000 1.145 1077 R CA 1.485 57.578 56.100 -0.013 0.000 0.976 1077 R CB -0.202 30.089 30.300 -0.015 0.000 0.866 1077 R HN 0.536 nan 8.270 nan 0.000 0.449 1078 K N -0.269 120.130 120.400 -0.002 0.000 2.399 1078 K HA 0.215 4.535 4.320 -0.001 0.000 0.204 1078 K C 0.048 176.652 176.600 0.007 0.000 1.023 1078 K CA 0.333 56.622 56.287 0.003 0.000 1.127 1078 K CB 1.161 33.665 32.500 0.007 0.000 0.856 1078 K HN 0.338 nan 8.250 nan 0.000 0.514 1079 G N 0.660 109.463 108.800 0.006 0.000 2.619 1079 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.686 1079 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.686 1079 G C 0.178 175.085 174.900 0.012 0.000 1.256 1079 G CA -0.873 44.232 45.100 0.009 0.000 0.826 1079 G HN -0.077 nan 8.290 nan 0.000 0.619 1080 M N 1.125 120.733 119.600 0.014 0.000 2.557 1080 M HA 0.039 4.519 4.480 -0.001 0.000 0.259 1080 M C 2.492 178.804 176.300 0.020 0.000 1.086 1080 M CA 1.752 57.062 55.300 0.017 0.000 1.096 1080 M CB -1.035 31.575 32.600 0.017 0.000 1.424 1080 M HN 1.009 nan 8.290 nan 0.000 0.488 1081 G N 0.117 108.929 108.800 0.019 0.000 2.679 1081 G HA2 -0.128 3.832 3.960 -0.001 0.000 0.212 1081 G HA3 -0.128 3.832 3.960 -0.001 0.000 0.212 1081 G C 1.462 176.376 174.900 0.024 0.000 1.137 1081 G CA 0.277 45.390 45.100 0.021 0.000 0.787 1081 G HN 0.359 nan 8.290 nan 0.000 0.534 1082 K N 0.731 121.148 120.400 0.027 0.000 2.397 1082 K HA 0.222 4.541 4.320 -0.001 0.000 0.202 1082 K C 1.871 178.502 176.600 0.050 0.000 1.022 1082 K CA -0.074 56.234 56.287 0.035 0.000 1.141 1082 K CB 0.601 33.121 32.500 0.032 0.000 0.857 1082 K HN 0.118 nan 8.250 nan 0.000 0.514 1083 S N 1.839 117.566 115.700 0.045 0.000 2.359 1083 S HA -0.171 4.299 4.470 -0.001 0.000 0.223 1083 S C 1.818 176.464 174.600 0.077 0.000 1.039 1083 S CA 1.319 59.556 58.200 0.061 0.000 1.042 1083 S CB -0.002 63.218 63.200 0.033 0.000 0.915 1083 S HN 0.333 nan 8.310 nan 0.000 0.439 1084 Q N 0.716 120.544 119.800 0.048 0.000 2.135 1084 Q HA -0.159 4.181 4.340 -0.001 0.000 0.204 1084 Q C 1.848 177.890 176.000 0.069 0.000 0.981 1084 Q CA 1.463 57.294 55.803 0.047 0.000 0.856 1084 Q CB -0.699 28.054 28.738 0.025 0.000 0.902 1084 Q HN 0.537 nan 8.270 nan 0.000 0.425 1085 D N -0.335 120.105 120.400 0.066 0.000 2.183 1085 D HA -0.084 4.556 4.640 -0.001 0.000 0.203 1085 D C 1.828 178.193 176.300 0.108 0.000 0.969 1085 D CA 0.443 54.487 54.000 0.073 0.000 0.842 1085 D CB 0.289 41.124 40.800 0.058 0.000 0.957 1085 D HN -0.006 nan 8.370 nan 0.000 0.484 1086 V N 0.299 120.294 119.914 0.135 0.000 2.427 1086 V HA -0.206 3.913 4.120 -0.001 0.000 0.248 1086 V C 2.435 178.662 176.094 0.222 0.000 1.051 1086 V CA 1.368 63.797 62.300 0.215 0.000 1.048 1086 V CB -0.408 31.539 31.823 0.207 0.000 0.666 1086 V HN 0.292 nan 8.190 nan 0.000 0.456 1087 M N -0.022 119.690 119.600 0.187 0.000 2.117 1087 M HA -0.196 4.284 4.480 -0.001 0.000 0.262 1087 M C 2.163 178.502 176.300 0.065 0.000 1.065 1087 M CA 2.089 57.471 55.300 0.136 0.000 1.114 1087 M CB -0.737 31.974 32.600 0.185 0.000 1.361 1087 M HN 0.456 nan 8.290 nan 0.000 0.408 1088 N N -0.484 118.287 118.700 0.118 0.000 2.084 1088 N HA -0.157 4.582 4.740 -0.001 0.000 0.190 1088 N C 1.325 176.901 175.510 0.110 0.000 1.030 1088 N CA 1.780 54.931 53.050 0.168 0.000 0.849 1088 N CB 0.137 38.693 38.487 0.114 0.000 1.012 1088 N HN 0.260 nan 8.380 nan 0.000 0.423 1089 T N 0.374 114.955 114.554 0.046 0.000 2.867 1089 T HA -0.008 4.342 4.350 -0.001 0.000 0.268 1089 T C 1.908 176.387 174.700 -0.369 0.000 1.057 1089 T CA 0.944 63.020 62.100 -0.041 0.000 1.136 1089 T CB -0.302 68.639 68.868 0.123 0.000 0.874 1089 T HN 0.404 nan 8.240 nan 0.000 0.466 1090 A N 1.036 123.565 122.820 -0.485 0.000 1.908 1090 A HA -0.077 4.242 4.320 -0.001 0.000 0.218 1090 A C 2.543 179.875 177.584 -0.419 0.000 1.181 1090 A CA 1.516 53.014 52.037 -0.898 0.000 0.627 1090 A CB -0.933 17.504 19.000 -0.939 0.000 0.818 1090 A HN 0.376 nan 8.150 nan 0.000 0.445 1091 V N -0.160 119.614 119.914 -0.235 0.000 2.302 1091 V HA -0.208 3.911 4.120 -0.001 0.000 0.243 1091 V C 2.373 178.332 176.094 -0.226 0.000 1.036 1091 V CA 2.135 64.302 62.300 -0.222 0.000 1.020 1091 V CB -0.716 30.804 31.823 -0.506 0.000 0.657 1091 V HN 0.518 nan 8.190 nan 0.000 0.453 1092 K N 1.236 121.567 120.400 -0.115 0.000 2.113 1092 K HA -0.186 4.133 4.320 -0.001 0.000 0.208 1092 K C 2.242 178.769 176.600 -0.122 0.000 1.047 1092 K CA 1.864 58.121 56.287 -0.049 0.000 0.928 1092 K CB -0.416 32.115 32.500 0.053 0.000 0.716 1092 K HN 0.632 nan 8.250 nan 0.000 0.446 1093 S N -0.545 115.047 115.700 -0.179 0.000 2.507 1093 S HA -0.003 4.466 4.470 -0.001 0.000 0.235 1093 S C 1.538 176.050 174.600 -0.147 0.000 0.988 1093 S CA 0.764 58.859 58.200 -0.175 0.000 0.944 1093 S CB -0.087 62.944 63.200 -0.283 0.000 0.762 1093 S HN 0.498 nan 8.310 nan 0.000 0.526 1094 G N 0.243 108.952 108.800 -0.152 0.000 2.176 1094 G HA2 -0.394 3.566 3.960 -0.001 0.000 0.253 1094 G HA3 -0.394 3.566 3.960 -0.001 0.000 0.253 1094 G C 0.339 175.236 174.900 -0.004 0.000 0.979 1094 G CA 0.409 45.442 45.100 -0.111 0.000 0.641 1094 G HN 0.627 nan 8.290 nan 0.000 0.530 1095 Y N -0.514 119.679 120.300 -0.179 0.000 2.242 1095 Y HA 0.206 4.756 4.550 -0.000 0.000 0.291 1095 Y C 1.364 177.289 175.900 0.042 0.000 1.137 1095 Y CA 1.838 59.871 58.100 -0.111 0.000 1.181 1095 Y CB 0.203 38.459 38.460 -0.340 0.000 0.989 1095 Y HN 0.360 nan 8.280 nan 0.000 0.527 1096 W N 4.723 125.942 121.300 -0.135 0.000 2.104 1096 W HA 0.312 4.972 4.660 -0.000 0.000 0.291 1096 W C -2.943 173.507 176.519 -0.115 0.000 0.936 1096 W CA -2.204 55.054 57.345 -0.144 0.000 1.856 1096 W CB 0.680 30.033 29.460 -0.180 0.000 2.036 1096 W HN -0.035 nan 8.180 nan 0.000 0.393 1097 P HA 0.047 nan 4.420 nan 0.000 0.268 1097 P C -0.379 176.815 177.300 -0.176 0.000 1.205 1097 P CA 0.504 63.612 63.100 0.014 0.000 0.771 1097 P CB 1.645 33.495 31.700 0.251 0.000 0.858 1098 L N 4.379 125.534 121.223 -0.114 0.000 2.309 1098 L HA 0.572 4.911 4.340 -0.001 0.000 0.282 1098 L C 0.314 177.113 176.870 -0.119 0.000 1.036 1098 L CA -0.639 54.071 54.840 -0.216 0.000 0.806 1098 L CB 0.489 42.518 42.059 -0.050 0.000 1.220 1098 L HN 0.447 nan 8.230 nan 0.000 0.429 1099 F N 0.645 120.563 119.950 -0.054 0.000 2.831 1099 F HA 0.779 5.305 4.527 -0.000 0.000 0.318 1099 F C -1.125 174.572 175.800 -0.172 0.000 1.174 1099 F CA -1.477 56.404 58.000 -0.198 0.000 0.918 1099 F CB 1.586 40.413 39.000 -0.289 0.000 1.364 1099 F HN 0.217 nan 8.300 nan 0.000 0.475 1100 R N 0.165 120.676 120.500 0.019 0.000 2.584 1100 R HA 0.412 4.751 4.340 -0.001 0.000 0.276 1100 R C -2.456 173.728 176.300 -0.193 0.000 1.046 1100 R CA -0.858 55.186 56.100 -0.093 0.000 0.906 1100 R CB 2.630 32.861 30.300 -0.115 0.000 1.215 1100 R HN 0.828 nan 8.270 nan 0.000 0.449 1101 Y N 2.230 122.308 120.300 -0.370 0.000 2.345 1101 Y HA 0.280 4.830 4.550 -0.001 0.000 0.331 1101 Y C -1.038 174.535 175.900 -0.545 0.000 0.959 1101 Y CA -0.639 57.295 58.100 -0.277 0.000 1.204 1101 Y CB 1.190 39.587 38.460 -0.105 0.000 1.135 1101 Y HN 0.462 nan 8.280 nan 0.000 0.477 1102 D N 8.606 128.628 120.400 -0.629 0.000 2.461 1102 D HA 0.318 4.957 4.640 -0.001 0.000 0.240 1102 D C -2.188 173.905 176.300 -0.345 0.000 1.094 1102 D CA -2.471 51.303 54.000 -0.377 0.000 0.868 1102 D CB 2.147 42.889 40.800 -0.097 0.000 1.062 1102 D HN 0.312 nan 8.370 nan 0.000 0.530 1103 P HA -0.170 nan 4.420 nan 0.000 0.218 1103 P C 1.254 178.609 177.300 0.092 0.000 1.146 1103 P CA 1.108 64.208 63.100 -0.000 0.000 0.813 1103 P CB 0.121 31.989 31.700 0.279 0.000 0.778 1104 R N -0.516 120.082 120.500 0.163 0.000 2.235 1104 R HA 0.012 4.351 4.340 -0.001 0.000 0.213 1104 R C 1.924 178.245 176.300 0.035 0.000 1.059 1104 R CA 0.907 57.098 56.100 0.151 0.000 0.997 1104 R CB -1.362 29.067 30.300 0.214 0.000 0.884 1104 R HN 0.255 nan 8.270 nan 0.000 0.462 1105 L N 1.030 122.219 121.223 -0.056 0.000 2.093 1105 L HA -0.044 4.296 4.340 -0.001 0.000 0.208 1105 L C 2.794 179.567 176.870 -0.162 0.000 1.085 1105 L CA 1.239 56.007 54.840 -0.121 0.000 0.755 1105 L CB -0.550 41.386 42.059 -0.206 0.000 0.904 1105 L HN 0.305 nan 8.230 nan 0.000 0.435 1106 A N 0.171 122.867 122.820 -0.207 0.000 1.933 1106 A HA -0.135 4.185 4.320 -0.001 0.000 0.218 1106 A C 2.352 179.976 177.584 0.066 0.000 1.175 1106 A CA 1.445 53.387 52.037 -0.158 0.000 0.628 1106 A CB -0.589 18.374 19.000 -0.061 0.000 0.814 1106 A HN 0.388 nan 8.150 nan 0.000 0.444 1107 A N -0.387 122.472 122.820 0.065 0.000 2.259 1107 A HA -0.006 4.313 4.320 -0.001 0.000 0.212 1107 A C 1.330 178.952 177.584 0.063 0.000 1.178 1107 A CA 1.234 53.323 52.037 0.087 0.000 0.734 1107 A CB -0.515 18.537 19.000 0.087 0.000 0.774 1107 A HN 0.790 nan 8.150 nan 0.000 0.481 1108 Q N -2.949 116.882 119.800 0.051 0.000 2.141 1108 Q HA 0.416 4.756 4.340 -0.001 0.000 0.295 1108 Q C 0.625 176.664 176.000 0.065 0.000 0.870 1108 Q CA 0.085 55.915 55.803 0.045 0.000 1.096 1108 Q CB -0.470 28.281 28.738 0.022 0.000 1.288 1108 Q HN 0.835 nan 8.270 nan 0.000 0.418 1109 G N 1.560 110.443 108.800 0.138 0.000 2.196 1109 G HA2 -0.352 3.608 3.960 -0.001 0.000 0.268 1109 G HA3 -0.352 3.608 3.960 -0.001 0.000 0.268 1109 G C -0.019 175.021 174.900 0.234 0.000 0.975 1109 G CA 0.959 46.204 45.100 0.242 0.000 0.648 1109 G HN 0.380 nan 8.290 nan 0.000 0.538 1110 K N 0.265 120.648 120.400 -0.028 0.000 2.098 1110 K HA 0.369 4.689 4.320 -0.001 0.000 0.258 1110 K C 0.119 176.307 176.600 -0.687 0.000 0.973 1110 K CA -0.914 55.263 56.287 -0.183 0.000 0.898 1110 K CB 0.691 33.113 32.500 -0.131 0.000 1.057 1110 K HN 0.090 nan 8.250 nan 0.000 0.447 1111 N N 3.476 121.793 118.700 -0.639 0.000 2.440 1111 N HA -0.006 4.734 4.740 -0.001 0.000 0.265 1111 N C -1.620 173.544 175.510 -0.577 0.000 1.239 1111 N CA -1.560 51.007 53.050 -0.805 0.000 0.909 1111 N CB 0.757 39.096 38.487 -0.245 0.000 1.066 1111 N HN 0.359 nan 8.380 nan 0.000 0.474 1112 P HA -0.084 nan 4.420 nan 0.000 0.226 1112 P C 0.118 177.068 177.300 -0.584 0.000 1.153 1112 P CA 0.590 63.276 63.100 -0.690 0.000 0.777 1112 P CB 0.072 31.142 31.700 -1.049 0.000 0.794 1113 F N 1.859 121.534 119.950 -0.459 0.000 2.411 1113 F HA 0.339 4.866 4.527 -0.001 0.000 0.355 1113 F C -0.078 175.628 175.800 -0.157 0.000 1.117 1113 F CA -0.499 57.369 58.000 -0.219 0.000 1.139 1113 F CB 0.795 39.748 39.000 -0.079 0.000 1.120 1113 F HN -0.197 nan 8.300 nan 0.000 0.493 1114 Q N 6.368 125.633 119.800 -0.891 0.000 2.304 1114 Q HA 0.444 4.783 4.340 -0.001 0.000 0.270 1114 Q C -1.246 174.339 176.000 -0.692 0.000 1.035 1114 Q CA -0.768 54.684 55.803 -0.584 0.000 0.781 1114 Q CB 2.839 31.401 28.738 -0.294 0.000 1.261 1114 Q HN 0.681 nan 8.270 nan 0.000 0.444 1115 L N 2.401 123.366 121.223 -0.430 0.000 2.349 1115 L HA 0.211 4.550 4.340 -0.001 0.000 0.275 1115 L C -0.010 176.829 176.870 -0.051 0.000 1.115 1115 L CA 0.132 54.852 54.840 -0.199 0.000 0.820 1115 L CB 0.833 42.844 42.059 -0.081 0.000 1.135 1115 L HN 0.795 nan 8.230 nan 0.000 0.445 1116 D N 0.329 120.747 120.400 0.029 0.000 2.441 1116 D HA 0.079 4.719 4.640 -0.001 0.000 0.210 1116 D C 0.273 176.663 176.300 0.151 0.000 1.102 1116 D CA 0.305 54.355 54.000 0.085 0.000 0.840 1116 D CB 0.738 41.594 40.800 0.093 0.000 0.990 1116 D HN 0.522 nan 8.370 nan 0.000 0.505 1117 S N -0.793 114.991 115.700 0.140 0.000 2.677 1117 S HA 0.624 5.093 4.470 -0.001 0.000 0.304 1117 S C -0.125 174.628 174.600 0.256 0.000 1.108 1117 S CA -0.856 57.417 58.200 0.122 0.000 0.944 1117 S CB 2.665 65.782 63.200 -0.139 0.000 1.127 1117 S HN -0.226 nan 8.310 nan 0.000 0.511 1118 K N 0.439 120.935 120.400 0.160 0.000 2.090 1118 K HA 0.700 5.020 4.320 -0.001 0.000 0.249 1118 K C 0.352 176.774 176.600 -0.296 0.000 0.995 1118 K CA -0.630 55.717 56.287 0.100 0.000 0.914 1118 K CB 0.870 33.405 32.500 0.059 0.000 1.057 1118 K HN 0.838 nan 8.250 nan 0.000 0.462 1119 A N 2.078 124.587 122.820 -0.519 0.000 2.536 1119 A HA 0.098 4.417 4.320 -0.001 0.000 0.234 1119 A C -2.134 175.028 177.584 -0.703 0.000 1.076 1119 A CA -0.674 50.668 52.037 -1.157 0.000 0.769 1119 A CB -0.768 17.954 19.000 -0.463 0.000 1.020 1119 A HN 0.399 nan 8.150 nan 0.000 0.508 1120 P HA 0.006 nan 4.420 nan 0.000 0.258 1120 P C -0.271 176.910 177.300 -0.198 0.000 1.172 1120 P CA 0.659 63.564 63.100 -0.324 0.000 0.762 1120 P CB 0.414 31.979 31.700 -0.225 0.000 0.764 1121 D N 2.615 122.931 120.400 -0.141 0.000 2.328 1121 D HA 0.062 4.702 4.640 -0.001 0.000 0.226 1121 D C 1.365 177.634 176.300 -0.052 0.000 1.066 1121 D CA 0.365 54.316 54.000 -0.082 0.000 0.861 1121 D CB -0.614 40.153 40.800 -0.054 0.000 0.912 1121 D HN 0.514 nan 8.370 nan 0.000 0.521 1122 G N 0.211 108.980 108.800 -0.052 0.000 2.176 1122 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.253 1122 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.253 1122 G C 1.011 175.905 174.900 -0.011 0.000 0.979 1122 G CA 0.630 45.715 45.100 -0.025 0.000 0.641 1122 G HN 0.707 nan 8.290 nan 0.000 0.530 1123 S N -0.721 114.970 115.700 -0.014 0.000 2.575 1123 S HA 0.352 4.822 4.470 -0.001 0.000 0.215 1123 S C 2.008 176.629 174.600 0.035 0.000 0.966 1123 S CA 1.066 59.272 58.200 0.009 0.000 0.911 1123 S CB 0.951 64.157 63.200 0.010 0.000 0.780 1123 S HN 1.131 nan 8.310 nan 0.000 0.514 1124 V N 2.132 122.058 119.914 0.020 0.000 2.324 1124 V HA -0.258 3.862 4.120 -0.001 0.000 0.250 1124 V C 2.672 178.811 176.094 0.075 0.000 1.060 1124 V CA 2.783 65.121 62.300 0.063 0.000 1.042 1124 V CB -0.682 31.172 31.823 0.052 0.000 0.650 1124 V HN 0.669 nan 8.190 nan 0.000 0.450 1125 E N 0.824 121.043 120.200 0.030 0.000 2.070 1125 E HA -0.261 4.089 4.350 -0.001 0.000 0.197 1125 E C 2.160 178.756 176.600 -0.005 0.000 1.004 1125 E CA 2.196 58.597 56.400 0.002 0.000 0.805 1125 E CB -0.443 29.262 29.700 0.008 0.000 0.744 1125 E HN 0.855 nan 8.360 nan 0.000 0.451 1126 E N -0.192 120.021 120.200 0.022 0.000 2.208 1126 E HA -0.173 4.177 4.350 -0.001 0.000 0.193 1126 E C 2.140 178.746 176.600 0.009 0.000 0.988 1126 E CA 0.768 57.177 56.400 0.014 0.000 0.828 1126 E CB -0.712 29.005 29.700 0.027 0.000 0.763 1126 E HN 0.432 nan 8.360 nan 0.000 0.478 1127 F N 2.414 122.301 119.950 -0.104 0.000 2.134 1127 F HA -0.064 4.463 4.527 -0.001 0.000 0.299 1127 F C 2.037 177.722 175.800 -0.192 0.000 1.097 1127 F CA 1.196 59.109 58.000 -0.145 0.000 1.264 1127 F CB -0.163 38.721 39.000 -0.195 0.000 1.001 1127 F HN -0.124 nan 8.300 nan 0.000 0.479 1128 L N -0.648 120.330 121.223 -0.408 0.000 2.044 1128 L HA -0.180 4.159 4.340 -0.001 0.000 0.205 1128 L C 2.382 179.102 176.870 -0.251 0.000 1.075 1128 L CA 0.774 55.245 54.840 -0.614 0.000 0.747 1128 L CB -0.726 40.931 42.059 -0.669 0.000 0.903 1128 L HN 0.123 nan 8.230 nan 0.000 0.435 1129 M N -0.075 119.444 119.600 -0.136 0.000 2.539 1129 M HA -0.075 4.404 4.480 -0.001 0.000 0.261 1129 M C 1.984 178.256 176.300 -0.047 0.000 1.069 1129 M CA 0.919 56.193 55.300 -0.043 0.000 1.081 1129 M CB -1.250 31.335 32.600 -0.024 0.000 1.412 1129 M HN 0.241 nan 8.290 nan 0.000 0.482 1130 A N -0.422 122.335 122.820 -0.105 0.000 2.278 1130 A HA 0.107 4.427 4.320 -0.001 0.000 0.212 1130 A C 0.558 178.087 177.584 -0.091 0.000 1.213 1130 A CA 0.068 52.051 52.037 -0.089 0.000 0.840 1130 A CB -0.055 18.887 19.000 -0.096 0.000 0.866 1130 A HN 0.507 nan 8.150 nan 0.000 0.489 1131 Q N -1.102 118.659 119.800 -0.066 0.000 2.337 1131 Q HA 0.246 4.586 4.340 -0.001 0.000 0.270 1131 Q C -0.081 175.935 176.000 0.027 0.000 1.043 1131 Q CA -0.631 55.160 55.803 -0.020 0.000 0.794 1131 Q CB 1.539 30.281 28.738 0.008 0.000 1.281 1131 Q HN 0.306 nan 8.270 nan 0.000 0.446 1132 N N 1.662 120.353 118.700 -0.014 0.000 2.309 1132 N HA -0.163 4.577 4.740 -0.001 0.000 0.182 1132 N C 1.465 176.943 175.510 -0.054 0.000 1.018 1132 N CA 1.333 54.370 53.050 -0.021 0.000 0.876 1132 N CB 0.267 38.734 38.487 -0.033 0.000 0.972 1132 N HN 0.532 nan 8.380 nan 0.000 0.434 1133 R N -1.443 118.980 120.500 -0.128 0.000 2.249 1133 R HA -0.087 4.253 4.340 -0.001 0.000 0.230 1133 R C 0.946 177.003 176.300 -0.405 0.000 1.121 1133 R CA 1.320 57.248 56.100 -0.287 0.000 0.997 1133 R CB -0.496 29.557 30.300 -0.412 0.000 0.867 1133 R HN 0.280 nan 8.270 nan 0.000 0.465 1134 F N 0.143 120.075 119.950 -0.031 0.000 2.537 1134 F HA 0.385 4.912 4.527 -0.001 0.000 0.277 1134 F C 2.656 178.451 175.800 -0.009 0.000 1.013 1134 F CA 0.195 58.188 58.000 -0.013 0.000 1.332 1134 F CB -0.206 38.769 39.000 -0.042 0.000 1.108 1134 F HN 0.030 nan 8.300 nan 0.000 0.679 1135 A N 0.758 123.673 122.820 0.158 0.000 1.917 1135 A HA -0.203 4.116 4.320 -0.001 0.000 0.219 1135 A C 2.263 179.874 177.584 0.044 0.000 1.182 1135 A CA 2.431 54.514 52.037 0.076 0.000 0.633 1135 A CB -1.425 17.597 19.000 0.037 0.000 0.819 1135 A HN 0.301 nan 8.150 nan 0.000 0.448 1136 V N -2.250 117.678 119.914 0.024 0.000 2.332 1136 V HA -0.226 3.894 4.120 -0.001 0.000 0.248 1136 V C 2.294 178.401 176.094 0.022 0.000 1.055 1136 V CA 2.076 64.378 62.300 0.003 0.000 1.038 1136 V CB -1.094 30.722 31.823 -0.012 0.000 0.651 1136 V HN 0.333 nan 8.190 nan 0.000 0.450 1137 L N 1.475 122.744 121.223 0.077 0.000 2.083 1137 L HA -0.113 4.227 4.340 -0.001 0.000 0.209 1137 L C 2.200 179.141 176.870 0.118 0.000 1.083 1137 L CA 2.514 57.446 54.840 0.153 0.000 0.752 1137 L CB -0.908 41.262 42.059 0.185 0.000 0.899 1137 L HN 0.546 nan 8.230 nan 0.000 0.433 1138 D N -0.873 119.579 120.400 0.086 0.000 2.117 1138 D HA -0.191 4.448 4.640 -0.001 0.000 0.197 1138 D C 2.219 178.523 176.300 0.005 0.000 0.987 1138 D CA 1.308 55.343 54.000 0.060 0.000 0.829 1138 D CB 0.059 40.892 40.800 0.054 0.000 0.961 1138 D HN 0.265 nan 8.370 nan 0.000 0.460 1139 R N -0.526 119.959 120.500 -0.025 0.000 2.193 1139 R HA 0.107 4.446 4.340 -0.001 0.000 0.213 1139 R C 1.952 178.159 176.300 -0.155 0.000 1.055 1139 R CA 0.862 56.921 56.100 -0.068 0.000 0.995 1139 R CB 0.155 30.419 30.300 -0.060 0.000 0.893 1139 R HN 0.096 nan 8.270 nan 0.000 0.459 1140 S N -0.501 115.056 115.700 -0.239 0.000 2.502 1140 S HA 0.176 4.645 4.470 -0.001 0.000 0.228 1140 S C 0.125 174.149 174.600 -0.960 0.000 1.061 1140 S CA 0.314 58.145 58.200 -0.616 0.000 0.935 1140 S CB 0.477 63.248 63.200 -0.716 0.000 0.809 1140 S HN 0.113 nan 8.310 nan 0.000 0.510 1141 F N 1.724 121.685 119.950 0.019 0.000 2.646 1141 F HA 0.356 4.883 4.527 -0.001 0.000 0.336 1141 F C -2.024 173.793 175.800 0.028 0.000 1.437 1141 F CA -1.899 56.115 58.000 0.023 0.000 1.142 1141 F CB 1.285 40.300 39.000 0.026 0.000 1.530 1141 F HN -0.012 nan 8.300 nan 0.000 0.591 1142 P HA -0.271 nan 4.420 nan 0.000 0.216 1142 P C 1.359 178.712 177.300 0.089 0.000 1.153 1142 P CA 1.980 65.123 63.100 0.072 0.000 0.858 1142 P CB 0.311 32.029 31.700 0.030 0.000 0.789 1143 E N 1.272 121.532 120.200 0.100 0.000 2.007 1143 E HA -0.212 4.137 4.350 -0.001 0.000 0.194 1143 E C 1.624 178.279 176.600 0.091 0.000 0.999 1143 E CA 1.568 58.019 56.400 0.085 0.000 0.811 1143 E CB -1.650 28.099 29.700 0.083 0.000 0.762 1143 E HN 0.250 nan 8.360 nan 0.000 0.450 1144 D N 1.479 121.948 120.400 0.115 0.000 2.178 1144 D HA -0.055 4.585 4.640 -0.001 0.000 0.201 1144 D C 1.939 178.303 176.300 0.107 0.000 0.980 1144 D CA 1.611 55.667 54.000 0.094 0.000 0.842 1144 D CB -0.198 40.645 40.800 0.070 0.000 0.948 1144 D HN 0.382 nan 8.370 nan 0.000 0.472 1145 A N 1.387 124.290 122.820 0.139 0.000 1.930 1145 A HA -0.191 4.128 4.320 -0.001 0.000 0.217 1145 A C 2.132 179.781 177.584 0.108 0.000 1.175 1145 A CA 1.471 53.593 52.037 0.141 0.000 0.627 1145 A CB -0.421 18.670 19.000 0.151 0.000 0.815 1145 A HN 0.133 nan 8.150 nan 0.000 0.443 1146 K N -0.421 120.030 120.400 0.085 0.000 2.026 1146 K HA -0.165 4.154 4.320 -0.001 0.000 0.208 1146 K C 2.340 178.977 176.600 0.060 0.000 1.048 1146 K CA 1.433 57.758 56.287 0.063 0.000 0.929 1146 K CB -0.227 32.303 32.500 0.050 0.000 0.713 1146 K HN 0.412 nan 8.250 nan 0.000 0.439 1147 R N 0.612 121.148 120.500 0.061 0.000 2.073 1147 R HA -0.099 4.240 4.340 -0.001 0.000 0.234 1147 R C 2.383 178.722 176.300 0.066 0.000 1.134 1147 R CA 1.571 57.702 56.100 0.052 0.000 0.952 1147 R CB -0.279 30.048 30.300 0.046 0.000 0.850 1147 R HN 0.242 nan 8.270 nan 0.000 0.433 1148 L N -0.016 121.259 121.223 0.086 0.000 2.141 1148 L HA -0.132 4.208 4.340 -0.001 0.000 0.209 1148 L C 2.580 179.522 176.870 0.121 0.000 1.094 1148 L CA 1.204 56.111 54.840 0.111 0.000 0.763 1148 L CB -0.298 41.843 42.059 0.138 0.000 0.908 1148 L HN 0.188 nan 8.230 nan 0.000 0.437 1149 R N -0.242 120.318 120.500 0.100 0.000 2.153 1149 R HA 0.002 4.341 4.340 -0.001 0.000 0.218 1149 R C 2.343 178.681 176.300 0.062 0.000 1.072 1149 R CA 0.991 57.129 56.100 0.064 0.000 0.990 1149 R CB -0.223 30.096 30.300 0.031 0.000 0.889 1149 R HN 0.308 nan 8.270 nan 0.000 0.452 1150 A N 0.841 123.700 122.820 0.065 0.000 1.968 1150 A HA -0.163 4.156 4.320 -0.001 0.000 0.217 1150 A C 2.038 179.678 177.584 0.094 0.000 1.169 1150 A CA 0.825 52.901 52.037 0.065 0.000 0.638 1150 A CB -0.244 18.783 19.000 0.044 0.000 0.812 1150 A HN 0.277 nan 8.150 nan 0.000 0.446 1151 Q N -0.244 119.613 119.800 0.096 0.000 2.119 1151 Q HA -0.105 4.235 4.340 -0.001 0.000 0.201 1151 Q C 1.900 177.993 176.000 0.155 0.000 0.972 1151 Q CA 1.675 57.552 55.803 0.124 0.000 0.847 1151 Q CB -0.161 28.638 28.738 0.102 0.000 0.903 1151 Q HN 0.396 nan 8.270 nan 0.000 0.433 1152 V N 0.875 120.871 119.914 0.137 0.000 2.261 1152 V HA -0.287 3.832 4.120 -0.001 0.000 0.246 1152 V C 2.337 178.507 176.094 0.126 0.000 1.047 1152 V CA 1.895 64.281 62.300 0.144 0.000 1.015 1152 V CB -1.006 30.913 31.823 0.160 0.000 0.642 1152 V HN 0.531 nan 8.190 nan 0.000 0.446 1153 A N -1.340 121.549 122.820 0.115 0.000 1.978 1153 A HA -0.293 4.027 4.320 -0.001 0.000 0.220 1153 A C 2.227 179.873 177.584 0.102 0.000 1.170 1153 A CA 2.028 54.122 52.037 0.095 0.000 0.636 1153 A CB -0.827 18.219 19.000 0.078 0.000 0.810 1153 A HN 0.748 nan 8.150 nan 0.000 0.448 1154 H N -0.319 118.774 119.070 0.039 0.000 2.343 1154 H HA -0.044 4.511 4.556 -0.001 0.000 0.303 1154 H C 1.914 177.262 175.328 0.033 0.000 1.068 1154 H CA 1.571 57.638 56.048 0.032 0.000 1.359 1154 H CB 0.098 29.877 29.762 0.028 0.000 1.402 1154 H HN 0.655 nan 8.280 nan 0.000 0.515 1155 E N 0.693 120.904 120.200 0.018 0.000 2.038 1155 E HA -0.191 4.159 4.350 -0.001 0.000 0.195 1155 E C 2.501 179.064 176.600 -0.062 0.000 1.000 1155 E CA 1.551 57.929 56.400 -0.038 0.000 0.803 1155 E CB -0.169 29.553 29.700 0.036 0.000 0.750 1155 E HN 0.440 nan 8.360 nan 0.000 0.448 1156 L N 0.306 121.521 121.223 -0.014 0.000 2.131 1156 L HA -0.090 4.250 4.340 -0.001 0.000 0.210 1156 L C 1.848 178.729 176.870 0.017 0.000 1.092 1156 L CA 2.075 56.916 54.840 0.001 0.000 0.759 1156 L CB -0.560 41.513 42.059 0.023 0.000 0.903 1156 L HN -0.083 nan 8.230 nan 0.000 0.435 1157 D N -0.046 120.336 120.400 -0.029 0.000 2.144 1157 D HA -0.145 4.495 4.640 -0.001 0.000 0.200 1157 D C 1.977 178.260 176.300 -0.029 0.000 0.978 1157 D CA 1.281 55.269 54.000 -0.020 0.000 0.833 1157 D CB 0.078 40.847 40.800 -0.052 0.000 0.961 1157 D HN 0.180 nan 8.370 nan 0.000 0.470 1158 V N 0.276 120.104 119.914 -0.144 0.000 2.270 1158 V HA -0.176 3.944 4.120 -0.001 0.000 0.245 1158 V C 2.595 178.649 176.094 -0.067 0.000 1.043 1158 V CA 1.914 64.130 62.300 -0.140 0.000 1.014 1158 V CB -0.578 31.111 31.823 -0.222 0.000 0.645 1158 V HN 0.189 nan 8.190 nan 0.000 0.447 1159 R N -0.736 119.729 120.500 -0.058 0.000 2.103 1159 R HA -0.236 4.104 4.340 -0.001 0.000 0.242 1159 R C 2.214 178.496 176.300 -0.030 0.000 1.142 1159 R CA 2.181 58.247 56.100 -0.057 0.000 0.960 1159 R CB -0.468 29.802 30.300 -0.049 0.000 0.858 1159 R HN 0.456 nan 8.270 nan 0.000 0.439 1160 F N 1.331 121.243 119.950 -0.064 0.000 2.134 1160 F HA -0.131 4.396 4.527 -0.000 0.000 0.299 1160 F C 1.902 177.688 175.800 -0.024 0.000 1.097 1160 F CA 1.657 59.639 58.000 -0.029 0.000 1.264 1160 F CB 0.036 39.024 39.000 -0.020 0.000 1.001 1160 F HN -0.055 nan 8.300 nan 0.000 0.479 1161 K N -0.001 120.453 120.400 0.091 0.000 2.147 1161 K HA -0.178 4.141 4.320 -0.001 0.000 0.205 1161 K C 1.920 178.480 176.600 -0.067 0.000 1.049 1161 K CA 1.731 58.035 56.287 0.028 0.000 0.936 1161 K CB -0.199 32.323 32.500 0.036 0.000 0.722 1161 K HN 0.418 nan 8.250 nan 0.000 0.446 1162 E N 0.765 120.898 120.200 -0.112 0.000 2.072 1162 E HA -0.133 4.216 4.350 -0.001 0.000 0.191 1162 E C 2.012 178.469 176.600 -0.238 0.000 0.985 1162 E CA 0.803 57.112 56.400 -0.152 0.000 0.801 1162 E CB -0.066 29.529 29.700 -0.174 0.000 0.750 1162 E HN 0.226 nan 8.360 nan 0.000 0.452 1163 L N 1.112 122.143 121.223 -0.321 0.000 2.131 1163 L HA -0.192 4.148 4.340 -0.001 0.000 0.210 1163 L C 2.338 179.065 176.870 -0.239 0.000 1.092 1163 L CA 1.123 55.724 54.840 -0.398 0.000 0.759 1163 L CB -0.416 41.432 42.059 -0.352 0.000 0.903 1163 L HN 0.145 nan 8.230 nan 0.000 0.435 1164 E N -0.632 119.414 120.200 -0.256 0.000 2.072 1164 E HA -0.265 4.085 4.350 -0.001 0.000 0.191 1164 E C 2.054 178.619 176.600 -0.058 0.000 0.985 1164 E CA 1.348 57.667 56.400 -0.136 0.000 0.801 1164 E CB -0.104 29.548 29.700 -0.079 0.000 0.750 1164 E HN 0.514 nan 8.360 nan 0.000 0.452 1165 H N 0.228 119.234 119.070 -0.107 0.000 2.423 1165 H HA 0.023 4.578 4.556 -0.001 0.000 0.297 1165 H C 2.011 177.287 175.328 -0.087 0.000 1.075 1165 H CA 1.273 57.274 56.048 -0.078 0.000 1.342 1165 H CB 0.099 29.809 29.762 -0.086 0.000 1.395 1165 H HN 0.042 nan 8.280 nan 0.000 0.530 1166 M N -0.525 118.964 119.600 -0.185 0.000 2.108 1166 M HA -0.146 4.334 4.480 -0.001 0.000 0.261 1166 M C 2.444 178.711 176.300 -0.054 0.000 1.066 1166 M CA 1.600 56.731 55.300 -0.282 0.000 1.107 1166 M CB -0.143 31.957 32.600 -0.833 0.000 1.356 1166 M HN 0.503 nan 8.290 nan 0.000 0.406 1167 A N -0.438 122.452 122.820 0.117 0.000 2.067 1167 A HA 0.162 4.482 4.320 -0.001 0.000 0.217 1167 A C 2.164 179.747 177.584 -0.002 0.000 1.156 1167 A CA 1.415 53.561 52.037 0.181 0.000 0.683 1167 A CB -0.510 18.581 19.000 0.152 0.000 0.808 1167 A HN 0.494 nan 8.150 nan 0.000 0.455 1168 A N -1.294 121.454 122.820 -0.120 0.000 2.081 1168 A HA 0.234 4.553 4.320 -0.001 0.000 0.214 1168 A C 1.511 178.964 177.584 -0.218 0.000 1.158 1168 A CA 1.044 52.988 52.037 -0.156 0.000 0.724 1168 A CB -0.765 18.133 19.000 -0.170 0.000 0.826 1168 A HN 0.371 nan 8.150 nan 0.000 0.463 1169 T N -0.411 113.933 114.554 -0.350 0.000 2.785 1169 T HA -0.050 4.299 4.350 -0.001 0.000 0.341 1169 T C 0.802 175.513 174.700 0.019 0.000 1.093 1169 T CA 0.945 62.907 62.100 -0.230 0.000 1.103 1169 T CB 0.064 68.864 68.868 -0.114 0.000 1.011 1169 T HN 0.528 nan 8.240 nan 0.000 0.549 1170 N N 0.613 119.327 118.700 0.023 0.000 2.143 1170 N HA 0.211 4.950 4.740 -0.001 0.000 0.222 1170 N C -0.761 174.584 175.510 -0.274 0.000 1.264 1170 N CA -0.290 52.758 53.050 -0.004 0.000 0.897 1170 N CB 0.391 38.858 38.487 -0.032 0.000 1.092 1170 N HN 0.362 nan 8.380 nan 0.000 0.516 1171 I N 2.414 122.886 120.570 -0.164 0.000 2.354 1171 I HA 0.393 4.563 4.170 -0.001 0.000 0.292 1171 I C -0.728 175.326 176.117 -0.105 0.000 0.989 1171 I CA -0.458 60.685 61.300 -0.262 0.000 1.188 1171 I CB 0.132 38.085 38.000 -0.078 0.000 1.342 1171 I HN 0.019 nan 8.210 nan 0.000 0.457 1172 F N 3.511 123.482 119.950 0.034 0.000 2.725 1172 F HA 0.353 4.880 4.527 0.000 0.000 0.311 1172 F C -0.359 175.485 175.800 0.073 0.000 1.121 1172 F CA -1.238 56.795 58.000 0.056 0.000 0.978 1172 F CB 0.742 39.770 39.000 0.046 0.000 1.274 1172 F HN 0.392 nan 8.300 nan 0.000 0.440 1173 E N 1.606 122.020 120.200 0.357 0.000 2.383 1173 E HA 0.332 4.682 4.350 -0.001 0.000 0.257 1173 E C -0.762 176.034 176.600 0.325 0.000 1.079 1173 E CA 0.022 56.589 56.400 0.279 0.000 0.934 1173 E CB 0.726 30.574 29.700 0.247 0.000 0.978 1173 E HN 0.763 nan 8.360 nan 0.000 0.462 1174 S N 3.089 118.968 115.700 0.298 0.000 2.609 1174 S HA 0.485 4.955 4.470 -0.001 0.000 0.250 1174 S C -0.913 173.874 174.600 0.312 0.000 1.112 1174 S CA -0.857 57.519 58.200 0.294 0.000 1.102 1174 S CB 0.247 63.643 63.200 0.326 0.000 1.124 1174 S HN 0.452 nan 8.310 nan 0.000 0.460 1175 F N 2.664 122.675 119.950 0.102 0.000 2.061 1175 F HA 0.873 5.400 4.527 -0.001 0.000 0.207 1175 F C -0.203 175.632 175.800 0.057 0.000 1.294 1175 F CA 0.038 58.080 58.000 0.069 0.000 1.246 1175 F CB 0.009 39.045 39.000 0.060 0.000 1.941 1175 F HN 0.782 nan 8.300 nan 0.000 0.128 1176 A N 0.580 123.401 122.820 0.003 0.000 2.324 1176 A HA 0.594 4.914 4.320 -0.001 0.000 0.330 1176 A C -1.958 175.664 177.584 0.063 0.000 1.165 1176 A CA -1.087 50.891 52.037 -0.098 0.000 0.813 1176 A CB 0.255 19.140 19.000 -0.192 0.000 1.197 1176 A HN 0.469 nan 8.150 nan 0.000 0.484 1177 P HA 0.014 nan 4.420 nan 0.000 0.215 1177 P C 0.761 178.071 177.300 0.016 0.000 1.157 1177 P CA 2.363 65.480 63.100 0.029 0.000 0.868 1177 P CB 0.325 32.025 31.700 0.001 0.000 0.788 1178 A N -3.161 119.662 122.820 0.005 0.000 1.974 1178 A HA 0.560 4.880 4.320 -0.001 0.000 0.153 1178 A C 0.047 177.634 177.584 0.004 0.000 1.522 1178 A CA 0.280 52.314 52.037 -0.005 0.000 2.824 1178 A CB -0.253 18.726 19.000 -0.034 0.000 3.061 1178 A HN 0.411 nan 8.150 nan 0.000 1.292 1179 G N -1.700 107.095 108.800 -0.008 0.000 2.755 1179 G HA2 0.557 4.517 3.960 -0.001 0.000 0.686 1179 G HA3 0.557 4.517 3.960 -0.001 0.000 0.686 1179 G C 1.027 175.930 174.900 0.005 0.000 1.427 1179 G CA 0.722 45.820 45.100 -0.003 0.000 0.873 1179 G HN 3.048 nan 8.290 nan 0.000 0.580 1180 G N 0.022 108.825 108.800 0.005 0.000 2.358 1180 G HA2 0.473 4.432 3.960 -0.001 0.000 0.198 1180 G HA3 0.473 4.432 3.960 -0.001 0.000 0.198 1180 G C 0.406 175.310 174.900 0.006 0.000 1.220 1180 G CA 0.848 45.953 45.100 0.009 0.000 1.187 1180 G HN 2.084 nan 8.290 nan 0.000 0.544 1181 K N -1.893 118.511 120.400 0.006 0.000 6.405 1181 K HA 0.204 4.524 4.320 -0.001 0.000 0.193 1181 K C 0.617 177.222 176.600 0.010 0.000 1.477 1181 K CA 1.554 57.846 56.287 0.008 0.000 0.758 1181 K CB -1.567 30.941 32.500 0.013 0.000 0.576 1181 K HN 2.938 nan 8.250 nan 0.000 0.536 1182 A N 1.368 124.195 122.820 0.011 0.000 2.425 1182 A HA -0.018 4.302 4.320 -0.001 0.000 0.682 1182 A C -0.690 176.900 177.584 0.010 0.000 0.148 1182 A CA 0.842 52.885 52.037 0.010 0.000 0.059 1182 A CB -1.017 17.988 19.000 0.008 0.000 3.953 1182 A HN 0.478 nan 8.150 nan 0.000 0.545 1183 D N 0.463 120.869 120.400 0.010 0.000 2.563 1183 D HA 0.470 5.109 4.640 -0.001 0.000 0.229 1183 D C 0.932 177.236 176.300 0.007 0.000 1.159 1183 D CA 2.476 56.482 54.000 0.009 0.000 0.869 1183 D CB 0.412 41.216 40.800 0.007 0.000 1.203 1183 D HN 2.111 nan 8.370 nan 0.000 0.478 1184 G N -0.247 108.557 108.800 0.007 0.000 2.402 1184 G HA2 0.418 4.377 3.960 -0.001 0.000 0.666 1184 G HA3 0.418 4.377 3.960 -0.001 0.000 0.666 1184 G C -0.920 173.984 174.900 0.007 0.000 1.402 1184 G CA -0.385 44.718 45.100 0.005 0.000 0.920 1184 G HN 0.932 nan 8.290 nan 0.000 0.651 1185 S N -1.411 114.292 115.700 0.005 0.000 2.564 1185 S HA 0.897 5.367 4.470 -0.001 0.000 0.274 1185 S C -1.077 173.526 174.600 0.004 0.000 1.124 1185 S CA -0.272 57.932 58.200 0.008 0.000 0.869 1185 S CB 2.345 65.549 63.200 0.007 0.000 1.105 1185 S HN 2.291 nan 8.310 nan 0.000 0.472 1186 V N 1.032 120.952 119.914 0.009 0.000 2.888 1186 V HA 0.592 4.711 4.120 -0.001 0.000 0.309 1186 V C -1.663 174.432 176.094 0.001 0.000 1.114 1186 V CA -0.646 61.654 62.300 0.000 0.000 0.940 1186 V CB 2.112 33.939 31.823 0.008 0.000 1.021 1186 V HN 1.160 nan 8.190 nan 0.000 0.426 1187 D N 3.299 123.672 120.400 -0.045 0.000 2.264 1187 D HA 0.274 4.914 4.640 -0.001 0.000 0.250 1187 D C 1.079 177.307 176.300 -0.119 0.000 1.113 1187 D CA -0.189 53.742 54.000 -0.114 0.000 0.871 1187 D CB 1.003 41.669 40.800 -0.223 0.000 1.167 1187 D HN 0.502 nan 8.370 nan 0.000 0.447 1188 F N 1.912 121.863 119.950 0.001 0.000 2.346 1188 F HA 0.068 4.595 4.527 -0.001 0.000 0.301 1188 F C 1.605 177.409 175.800 0.007 0.000 1.070 1188 F CA 0.815 58.817 58.000 0.003 0.000 1.407 1188 F CB -0.581 38.419 39.000 0.000 0.000 1.072 1188 F HN 0.315 nan 8.300 nan 0.000 0.543 1189 G N -0.525 107.963 108.800 -0.520 0.000 2.986 1189 G HA2 -0.010 3.950 3.960 -0.001 0.000 0.213 1189 G HA3 -0.010 3.950 3.960 -0.001 0.000 0.213 1189 G C -0.089 174.730 174.900 -0.134 0.000 1.156 1189 G CA -0.253 44.674 45.100 -0.289 0.000 0.763 1189 G HN 0.272 nan 8.290 nan 0.000 0.547 1190 E N 0.671 120.799 120.200 -0.120 0.000 2.493 1190 E HA 0.374 4.724 4.350 -0.001 0.000 0.255 1190 E C 1.436 178.021 176.600 -0.025 0.000 0.999 1190 E CA 0.933 57.293 56.400 -0.067 0.000 0.934 1190 E CB 0.060 29.729 29.700 -0.052 0.000 0.940 1190 E HN 0.342 nan 8.360 nan 0.000 0.473 1191 G N 2.846 111.632 108.800 -0.023 0.000 2.189 1191 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.267 1191 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.267 1191 G C 0.508 175.416 174.900 0.012 0.000 0.975 1191 G CA 0.263 45.359 45.100 -0.007 0.000 0.644 1191 G HN 0.907 nan 8.290 nan 0.000 0.537 1192 A N -0.388 122.448 122.820 0.026 0.000 2.520 1192 A HA 0.551 4.870 4.320 -0.001 0.000 0.235 1192 A C 1.172 178.793 177.584 0.062 0.000 1.065 1192 A CA 1.377 53.456 52.037 0.069 0.000 0.764 1192 A CB 0.236 19.295 19.000 0.098 0.000 1.002 1192 A HN 0.428 nan 8.150 nan 0.000 0.502 1193 E N 0.077 120.346 120.200 0.114 0.000 2.216 1193 E HA 0.139 4.489 4.350 -0.001 0.000 0.192 1193 E C -0.581 175.949 176.600 -0.117 0.000 0.988 1193 E CA 0.896 57.310 56.400 0.023 0.000 0.834 1193 E CB -0.008 29.747 29.700 0.090 0.000 0.772 1193 E HN 0.614 nan 8.360 nan 0.000 0.479 1194 F N -1.186 118.771 119.950 0.011 0.000 2.598 1194 F HA 0.337 4.863 4.527 -0.002 0.000 0.327 1194 F C 0.114 175.924 175.800 0.017 0.000 1.057 1194 F CA -1.622 56.385 58.000 0.012 0.000 0.957 1194 F CB 0.779 39.788 39.000 0.014 0.000 1.278 1194 F HN -0.277 nan 8.300 nan 0.000 0.484 1195 c N 0.995 119.725 118.600 0.216 0.000 2.597 1195 c HA 0.162 4.731 4.570 -0.001 0.000 0.412 1195 c C 1.564 175.743 174.090 0.147 0.000 1.348 1195 c CA 0.291 56.698 56.329 0.130 0.000 1.769 1195 c CB -0.063 42.509 42.510 0.102 0.000 2.641 1195 c HN 0.893 nan 8.230 nan 0.000 0.612 1196 T N 1.962 116.591 114.554 0.125 0.000 3.040 1196 T HA 0.192 4.541 4.350 -0.001 0.000 0.266 1196 T C 0.550 175.382 174.700 0.220 0.000 1.005 1196 T CA 0.259 62.471 62.100 0.186 0.000 0.906 1196 T CB -0.071 68.915 68.868 0.198 0.000 1.082 1196 T HN 0.676 nan 8.240 nan 0.000 0.531 1197 R N 1.476 122.057 120.500 0.134 0.000 2.836 1197 R HA 0.485 4.824 4.340 -0.001 0.000 0.269 1197 R C -1.323 175.022 176.300 0.075 0.000 1.010 1197 R CA -0.890 55.282 56.100 0.121 0.000 0.930 1197 R CB 1.445 31.800 30.300 0.091 0.000 1.218 1197 R HN 0.210 nan 8.270 nan 0.000 0.473 1198 D N -0.992 119.444 120.400 0.060 0.000 2.529 1198 D HA 0.099 4.739 4.640 -0.001 0.000 0.273 1198 D C -0.020 176.298 176.300 0.030 0.000 1.197 1198 D CA -0.470 53.554 54.000 0.041 0.000 1.070 1198 D CB 0.498 41.317 40.800 0.032 0.000 1.134 1198 D HN 0.295 nan 8.370 nan 0.000 0.590 1199 D N -1.177 119.237 120.400 0.023 0.000 2.349 1199 D HA 0.036 4.675 4.640 -0.001 0.000 0.224 1199 D C 0.138 176.445 176.300 0.012 0.000 1.029 1199 D CA 0.373 54.383 54.000 0.016 0.000 0.879 1199 D CB -0.256 40.553 40.800 0.015 0.000 0.906 1199 D HN 0.285 nan 8.370 nan 0.000 0.528 1200 T N 1.353 115.915 114.554 0.013 0.000 2.898 1200 T HA 0.102 4.452 4.350 -0.001 0.000 0.301 1200 T C -1.467 173.236 174.700 0.006 0.000 1.049 1200 T CA -1.032 61.073 62.100 0.009 0.000 1.095 1200 T CB 1.693 70.566 68.868 0.009 0.000 0.976 1200 T HN -0.099 nan 8.240 nan 0.000 0.539 1201 P HA 0.114 nan 4.420 nan 0.000 0.225 1201 P C 1.336 178.633 177.300 -0.005 0.000 1.156 1201 P CA 0.750 63.847 63.100 -0.005 0.000 0.787 1201 P CB 0.090 31.783 31.700 -0.011 0.000 0.802 1202 M N -2.132 117.466 119.600 -0.003 0.000 2.254 1202 M HA -0.026 4.454 4.480 -0.001 0.000 0.265 1202 M C 1.822 178.128 176.300 0.010 0.000 1.066 1202 M CA 1.641 56.940 55.300 -0.002 0.000 1.123 1202 M CB -0.419 32.179 32.600 -0.004 0.000 1.388 1202 M HN -0.078 nan 8.290 nan 0.000 0.425 1203 M N -0.567 119.044 119.600 0.019 0.000 2.441 1203 M HA 0.233 4.712 4.480 -0.001 0.000 0.244 1203 M C 0.522 176.836 176.300 0.024 0.000 1.122 1203 M CA -0.331 54.991 55.300 0.036 0.000 1.041 1203 M CB 0.116 32.748 32.600 0.053 0.000 1.438 1203 M HN 0.088 nan 8.290 nan 0.000 0.484 1204 A N 2.139 124.966 122.820 0.011 0.000 2.520 1204 A HA 0.324 4.643 4.320 -0.001 0.000 0.245 1204 A C 0.190 177.774 177.584 -0.001 0.000 1.072 1204 A CA 0.402 52.441 52.037 0.003 0.000 0.761 1204 A CB 0.245 19.244 19.000 -0.002 0.000 1.004 1204 A HN 0.314 nan 8.150 nan 0.000 0.499 1205 R N 1.757 122.253 120.500 -0.007 0.000 2.855 1205 R HA 0.405 4.745 4.340 -0.001 0.000 0.266 1205 R C -2.223 174.067 176.300 -0.017 0.000 1.034 1205 R CA -1.963 54.130 56.100 -0.012 0.000 0.944 1205 R CB 0.231 30.520 30.300 -0.018 0.000 1.219 1205 R HN 0.368 nan 8.270 nan 0.000 0.474 1206 P HA -0.132 nan 4.420 nan 0.000 0.215 1206 P C 0.195 177.482 177.300 -0.023 0.000 1.157 1206 P CA 1.360 64.449 63.100 -0.018 0.000 0.874 1206 P CB 0.295 31.984 31.700 -0.018 0.000 0.790 1207 D N -1.036 119.346 120.400 -0.030 0.000 2.355 1207 D HA -0.009 4.631 4.640 -0.001 0.000 0.218 1207 D C 0.819 177.096 176.300 -0.039 0.000 1.004 1207 D CA 0.478 54.456 54.000 -0.036 0.000 0.880 1207 D CB -0.259 40.514 40.800 -0.045 0.000 0.911 1207 D HN 0.278 nan 8.370 nan 0.000 0.528 1208 S N -0.887 114.792 115.700 -0.036 0.000 2.614 1208 S HA 0.464 4.934 4.470 -0.001 0.000 0.265 1208 S C 1.228 175.814 174.600 -0.023 0.000 1.303 1208 S CA 0.295 58.475 58.200 -0.033 0.000 1.000 1208 S CB 1.970 65.154 63.200 -0.026 0.000 0.935 1208 S HN 0.264 nan 8.310 nan 0.000 0.551 1209 G N -0.123 108.665 108.800 -0.020 0.000 2.227 1209 G HA2 -0.153 3.807 3.960 -0.001 0.000 0.168 1209 G HA3 -0.153 3.807 3.960 -0.001 0.000 0.168 1209 G C -0.217 174.673 174.900 -0.016 0.000 1.006 1209 G CA -0.055 45.036 45.100 -0.014 0.000 0.684 1209 G HN 0.938 nan 8.290 nan 0.000 0.489 1210 E N 0.820 121.008 120.200 -0.021 0.000 2.373 1210 E HA 0.617 4.967 4.350 -0.001 0.000 0.263 1210 E C 0.949 177.538 176.600 -0.019 0.000 1.073 1210 E CA 0.029 56.416 56.400 -0.022 0.000 0.894 1210 E CB 0.818 30.500 29.700 -0.029 0.000 1.008 1210 E HN 0.627 nan 8.360 nan 0.000 0.420 1211 A N 2.398 125.206 122.820 -0.020 0.000 2.407 1211 A HA 0.399 4.718 4.320 -0.001 0.000 0.248 1211 A C -0.279 177.289 177.584 -0.026 0.000 1.082 1211 A CA -0.130 51.895 52.037 -0.020 0.000 0.785 1211 A CB -0.321 18.666 19.000 -0.022 0.000 1.020 1211 A HN 0.761 nan 8.150 nan 0.000 0.489 1212 c N 0.127 118.714 118.600 -0.022 0.000 3.312 1212 c HA 0.637 5.206 4.570 -0.001 0.000 0.332 1212 c C -0.776 173.295 174.090 -0.031 0.000 1.340 1212 c CA -1.032 55.278 56.329 -0.033 0.000 1.265 1212 c CB 1.102 43.608 42.510 -0.007 0.000 1.563 1212 c HN 0.832 nan 8.230 nan 0.000 0.471 1213 D N 0.860 121.212 120.400 -0.080 0.000 2.339 1213 D HA 0.118 4.758 4.640 -0.001 0.000 0.256 1213 D C 0.386 176.762 176.300 0.127 0.000 1.214 1213 D CA 0.696 54.654 54.000 -0.069 0.000 0.877 1213 D CB 1.123 41.690 40.800 -0.387 0.000 1.111 1213 D HN 0.762 nan 8.370 nan 0.000 0.478 1214 Q N 3.276 123.150 119.800 0.125 0.000 2.247 1214 Q HA 0.041 4.381 4.340 -0.001 0.000 0.205 1214 Q C -0.181 175.916 176.000 0.162 0.000 0.896 1214 Q CA -0.097 55.788 55.803 0.138 0.000 0.950 1214 Q CB -0.117 28.666 28.738 0.075 0.000 1.054 1214 Q HN 0.490 nan 8.270 nan 0.000 0.482 1215 N N 0.288 119.152 118.700 0.273 0.000 2.782 1215 N HA -0.208 4.532 4.740 -0.001 0.000 0.251 1215 N C -0.153 175.416 175.510 0.098 0.000 1.101 1215 N CA 0.931 54.089 53.050 0.181 0.000 0.764 1215 N CB -0.630 37.880 38.487 0.037 0.000 1.122 1215 N HN 0.448 nan 8.380 nan 0.000 0.561 1216 R N -0.182 120.376 120.500 0.097 0.000 2.334 1216 R HA 0.271 4.610 4.340 -0.001 0.000 0.216 1216 R C 1.488 177.822 176.300 0.057 0.000 0.905 1216 R CA 0.826 56.961 56.100 0.059 0.000 1.064 1216 R CB 0.474 30.801 30.300 0.045 0.000 1.046 1216 R HN 0.229 nan 8.270 nan 0.000 0.508 1217 A N 0.432 123.302 122.820 0.083 0.000 2.508 1217 A HA 0.461 4.781 4.320 -0.001 0.000 0.257 1217 A C 0.658 178.290 177.584 0.081 0.000 1.226 1217 A CA 0.259 52.338 52.037 0.070 0.000 0.947 1217 A CB 0.506 19.544 19.000 0.063 0.000 1.079 1217 A HN 0.322 nan 8.150 nan 0.000 0.531 1218 G N -0.911 107.942 108.800 0.089 0.000 2.728 1218 G HA2 -0.046 3.913 3.960 -0.001 0.000 0.294 1218 G HA3 -0.046 3.913 3.960 -0.001 0.000 0.294 1218 G C 0.024 174.995 174.900 0.119 0.000 1.342 1218 G CA -0.457 44.684 45.100 0.069 0.000 0.866 1218 G HN 0.625 nan 8.290 nan 0.000 0.534 1219 T N 0.283 114.877 114.554 0.067 0.000 2.791 1219 T HA 0.343 4.693 4.350 -0.001 0.000 0.323 1219 T C 2.061 176.877 174.700 0.192 0.000 1.082 1219 T CA 0.722 62.874 62.100 0.087 0.000 1.084 1219 T CB 0.656 69.541 68.868 0.029 0.000 0.992 1219 T HN 0.903 nan 8.240 nan 0.000 0.547 1220 S N 0.562 116.414 115.700 0.253 0.000 2.368 1220 S HA -0.112 4.357 4.470 -0.001 0.000 0.225 1220 S C 2.006 176.666 174.600 0.101 0.000 1.030 1220 S CA 1.097 59.421 58.200 0.207 0.000 0.999 1220 S CB -0.222 63.098 63.200 0.200 0.000 0.844 1220 S HN 0.763 nan 8.310 nan 0.000 0.459 1221 E N 1.084 121.331 120.200 0.078 0.000 2.047 1221 E HA -0.183 4.167 4.350 -0.001 0.000 0.191 1221 E C 2.166 178.790 176.600 0.040 0.000 0.987 1221 E CA 0.949 57.377 56.400 0.046 0.000 0.799 1221 E CB -0.088 29.632 29.700 0.033 0.000 0.752 1221 E HN 0.544 nan 8.360 nan 0.000 0.449 1222 Q N 0.058 119.884 119.800 0.044 0.000 2.135 1222 Q HA -0.225 4.114 4.340 -0.001 0.000 0.204 1222 Q C 2.266 178.288 176.000 0.036 0.000 0.981 1222 Q CA 1.689 57.513 55.803 0.035 0.000 0.856 1222 Q CB -0.065 28.694 28.738 0.034 0.000 0.902 1222 Q HN 0.380 nan 8.270 nan 0.000 0.425 1223 Q N -0.458 119.372 119.800 0.050 0.000 2.123 1223 Q HA -0.093 4.247 4.340 -0.001 0.000 0.199 1223 Q C 2.215 178.229 176.000 0.024 0.000 0.966 1223 Q CA 1.096 56.922 55.803 0.039 0.000 0.845 1223 Q CB -0.202 28.563 28.738 0.045 0.000 0.907 1223 Q HN 0.492 nan 8.270 nan 0.000 0.439 1224 G N 1.325 110.140 108.800 0.026 0.000 2.433 1224 G HA2 -0.346 3.614 3.960 -0.001 0.000 0.216 1224 G HA3 -0.346 3.614 3.960 -0.001 0.000 0.216 1224 G C 0.978 175.886 174.900 0.013 0.000 1.186 1224 G CA 1.284 46.394 45.100 0.016 0.000 0.779 1224 G HN 0.397 nan 8.290 nan 0.000 0.543 1225 D N -0.193 120.216 120.400 0.016 0.000 2.149 1225 D HA -0.119 4.521 4.640 -0.001 0.000 0.198 1225 D C 2.269 178.575 176.300 0.010 0.000 0.990 1225 D CA 0.773 54.780 54.000 0.012 0.000 0.839 1225 D CB -0.248 40.559 40.800 0.012 0.000 0.948 1225 D HN 0.172 nan 8.370 nan 0.000 0.460 1226 L N -0.197 121.033 121.223 0.012 0.000 2.201 1226 L HA 0.007 4.346 4.340 -0.001 0.000 0.212 1226 L C 2.196 179.070 176.870 0.007 0.000 1.105 1226 L CA 1.401 56.247 54.840 0.010 0.000 0.775 1226 L CB -0.912 41.154 42.059 0.012 0.000 0.913 1226 L HN 0.019 nan 8.230 nan 0.000 0.440 1227 S N -0.799 114.904 115.700 0.006 0.000 2.355 1227 S HA -0.186 4.283 4.470 -0.001 0.000 0.222 1227 S C 2.059 176.661 174.600 0.002 0.000 1.031 1227 S CA 1.411 59.613 58.200 0.003 0.000 0.993 1227 S CB -0.090 63.111 63.200 0.001 0.000 0.859 1227 S HN 0.513 nan 8.310 nan 0.000 0.453 1228 K N 0.474 120.876 120.400 0.003 0.000 2.002 1228 K HA -0.022 4.297 4.320 -0.001 0.000 0.209 1228 K C 2.508 179.110 176.600 0.002 0.000 1.048 1228 K CA 1.302 57.591 56.287 0.003 0.000 0.930 1228 K CB -0.221 32.281 32.500 0.003 0.000 0.714 1228 K HN 0.266 nan 8.250 nan 0.000 0.438 1229 R N 0.236 120.738 120.500 0.003 0.000 2.127 1229 R HA -0.110 4.230 4.340 -0.001 0.000 0.238 1229 R C 2.341 178.643 176.300 0.002 0.000 1.134 1229 R CA 1.872 57.974 56.100 0.003 0.000 0.975 1229 R CB -0.411 29.891 30.300 0.004 0.000 0.865 1229 R HN 0.412 nan 8.270 nan 0.000 0.447 1230 T N -1.218 113.338 114.554 0.002 0.000 3.081 1230 T HA 0.021 4.370 4.350 -0.001 0.000 0.255 1230 T C 1.338 176.038 174.700 0.000 0.000 1.113 1230 T CA 0.394 62.495 62.100 0.001 0.000 1.082 1230 T CB 0.036 68.905 68.868 0.002 0.000 0.939 1230 T HN 0.345 nan 8.240 nan 0.000 0.506 1231 K N 1.088 121.488 120.400 0.000 0.000 2.405 1231 K HA -0.433 3.886 4.320 -0.001 0.000 0.220 1231 K C 0.494 177.094 176.600 -0.001 0.000 0.714 1231 K CA 1.941 58.228 56.287 -0.001 0.000 1.146 1231 K CB -1.697 30.802 32.500 -0.000 0.000 0.945 1231 K HN 0.335 nan 8.250 nan 0.000 0.655 1232 K N 0.000 120.399 120.400 -0.001 0.000 2.780 1232 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 1232 K CA 0.000 56.286 56.287 -0.001 0.000 0.838 1232 K CB 0.000 32.499 32.500 -0.001 0.000 1.064 1232 K HN 0.000 nan 8.250 nan 0.000 0.543