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 2pda_1_B 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 3.961 3.960 0.002 0.000 0.244 2 G C 0.000 174.918 174.900 0.030 0.000 0.946 2 G CA 0.000 45.117 45.100 0.028 0.000 0.502 3 K N 0.394 120.805 120.400 0.019 0.000 2.440 3 K HA 0.441 4.762 4.320 0.002 0.000 0.270 3 K C -0.194 176.397 176.600 -0.016 0.000 0.980 3 K CA 0.409 56.698 56.287 0.002 0.000 0.953 3 K CB 0.732 33.229 32.500 -0.004 0.000 0.925 3 K HN 0.505 nan 8.250 nan 0.000 0.497 4 K N 2.464 122.840 120.400 -0.040 0.000 2.553 4 K HA 0.200 4.521 4.320 0.002 0.000 0.250 4 K C -0.978 175.574 176.600 -0.079 0.000 0.953 4 K CA -0.588 55.665 56.287 -0.057 0.000 0.800 4 K CB 0.984 33.447 32.500 -0.061 0.000 1.243 4 K HN 0.374 nan 8.250 nan 0.000 0.435 5 M N 3.700 123.261 119.600 -0.066 0.000 2.242 5 M HA 0.364 4.846 4.480 0.002 0.000 0.344 5 M C -0.266 175.991 176.300 -0.072 0.000 1.140 5 M CA 0.319 55.581 55.300 -0.064 0.000 1.160 5 M CB 0.841 33.410 32.600 -0.053 0.000 1.491 5 M HN 0.836 nan 8.290 nan 0.000 0.459 6 M N 1.428 120.989 119.600 -0.065 0.000 2.449 6 M HA 0.197 4.678 4.480 0.002 0.000 0.291 6 M C -1.135 175.148 176.300 -0.029 0.000 1.148 6 M CA -0.310 54.952 55.300 -0.063 0.000 0.925 6 M CB 2.350 34.881 32.600 -0.116 0.000 1.767 6 M HN 0.761 nan 8.290 nan 0.000 0.503 7 T N 1.459 116.009 114.554 -0.005 0.000 2.893 7 T HA 0.782 5.133 4.350 0.002 0.000 0.324 7 T C -0.588 174.131 174.700 0.032 0.000 1.082 7 T CA 0.125 62.239 62.100 0.023 0.000 0.983 7 T CB 0.400 69.293 68.868 0.042 0.000 1.005 7 T HN 0.852 nan 8.240 nan 0.000 0.475 8 T N 0.770 115.345 114.554 0.035 0.000 2.681 8 T HA 0.645 4.996 4.350 0.002 0.000 0.296 8 T C -0.871 173.865 174.700 0.060 0.000 1.157 8 T CA -0.791 61.337 62.100 0.047 0.000 1.025 8 T CB 1.252 70.142 68.868 0.036 0.000 1.441 8 T HN 0.587 nan 8.240 nan 0.000 0.504 9 D N -0.549 119.887 120.400 0.060 0.000 2.451 9 D HA 0.436 5.077 4.640 0.002 0.000 0.259 9 D C 1.639 177.975 176.300 0.059 0.000 1.201 9 D CA -0.079 53.965 54.000 0.073 0.000 1.028 9 D CB -0.158 40.666 40.800 0.041 0.000 1.095 9 D HN 0.790 nan 8.370 nan 0.000 0.539 10 G N -0.879 107.970 108.800 0.081 0.000 2.421 10 G HA2 -0.252 3.709 3.960 0.002 0.000 0.217 10 G HA3 -0.252 3.709 3.960 0.002 0.000 0.217 10 G C 1.310 176.179 174.900 -0.052 0.000 1.143 10 G CA 0.407 45.498 45.100 -0.014 0.000 0.784 10 G HN 0.610 nan 8.290 nan 0.000 0.541 11 N N 0.063 118.837 118.700 0.123 0.000 2.028 11 N HA -0.158 4.583 4.740 0.002 0.000 0.194 11 N C 2.582 178.134 175.510 0.071 0.000 1.050 11 N CA 1.975 55.119 53.050 0.158 0.000 0.848 11 N CB -0.193 38.308 38.487 0.023 0.000 1.038 11 N HN 0.391 nan 8.380 nan 0.000 0.423 12 T N -1.107 113.473 114.554 0.043 0.000 2.915 12 T HA 0.043 4.394 4.350 0.002 0.000 0.269 12 T C 1.867 176.685 174.700 0.197 0.000 1.071 12 T CA 0.969 63.139 62.100 0.116 0.000 1.132 12 T CB -0.274 68.666 68.868 0.120 0.000 0.878 12 T HN 0.209 nan 8.240 nan 0.000 0.479 13 A N 1.694 124.584 122.820 0.117 0.000 1.908 13 A HA -0.051 4.271 4.320 0.002 0.000 0.218 13 A C 2.758 180.464 177.584 0.203 0.000 1.181 13 A CA 2.515 54.636 52.037 0.141 0.000 0.627 13 A CB -1.519 17.524 19.000 0.072 0.000 0.818 13 A HN 0.716 nan 8.150 nan 0.000 0.445 14 T N -2.396 112.225 114.554 0.112 0.000 2.978 14 T HA 0.231 4.582 4.350 0.002 0.000 0.262 14 T C 1.861 176.674 174.700 0.188 0.000 1.063 14 T CA 1.442 63.633 62.100 0.151 0.000 1.140 14 T CB -0.387 68.596 68.868 0.190 0.000 0.886 14 T HN 0.535 nan 8.240 nan 0.000 0.470 15 A N 0.699 123.644 122.820 0.209 0.000 2.121 15 A HA -0.065 4.256 4.320 0.002 0.000 0.218 15 A C 2.207 180.140 177.584 0.582 0.000 1.154 15 A CA 1.467 53.643 52.037 0.231 0.000 0.679 15 A CB -1.189 17.758 19.000 -0.089 0.000 0.795 15 A HN 0.834 nan 8.150 nan 0.000 0.458 16 H N -0.101 119.256 119.070 0.479 0.000 2.256 16 H HA -0.114 4.443 4.556 0.002 0.000 0.299 16 H C 1.960 177.480 175.328 0.320 0.000 1.071 16 H CA 2.174 58.496 56.048 0.456 0.000 1.280 16 H CB 0.019 29.977 29.762 0.328 0.000 1.370 16 H HN 0.235 nan 8.280 nan 0.000 0.490 17 V N 1.425 121.426 119.914 0.145 0.000 2.392 17 V HA -0.264 3.858 4.120 0.002 0.000 0.249 17 V C 3.001 178.968 176.094 -0.212 0.000 1.059 17 V CA 1.564 63.781 62.300 -0.137 0.000 1.051 17 V CB -1.147 30.595 31.823 -0.135 0.000 0.658 17 V HN 0.594 nan 8.190 nan 0.000 0.455 18 A N -0.894 121.914 122.820 -0.019 0.000 1.873 18 A HA -0.239 4.082 4.320 0.002 0.000 0.215 18 A C 2.177 179.794 177.584 0.055 0.000 1.186 18 A CA 1.849 53.890 52.037 0.006 0.000 0.616 18 A CB -0.791 18.326 19.000 0.193 0.000 0.823 18 A HN 0.568 nan 8.150 nan 0.000 0.442 19 Y N 0.818 121.213 120.300 0.157 0.000 2.165 19 Y HA -0.162 4.390 4.550 0.002 0.000 0.286 19 Y C 2.674 178.540 175.900 -0.058 0.000 1.155 19 Y CA 1.085 59.313 58.100 0.214 0.000 1.164 19 Y CB -0.594 38.189 38.460 0.538 0.000 0.978 19 Y HN 0.316 nan 8.280 nan 0.000 0.513 20 A N -0.222 122.466 122.820 -0.219 0.000 1.902 20 A HA -0.172 4.149 4.320 0.002 0.000 0.217 20 A C 1.912 179.212 177.584 -0.473 0.000 1.181 20 A CA 1.978 53.505 52.037 -0.849 0.000 0.623 20 A CB -0.508 17.414 19.000 -1.797 0.000 0.818 20 A HN 0.424 nan 8.150 nan 0.000 0.443 21 M N 0.227 119.547 119.600 -0.467 0.000 2.505 21 M HA 0.237 4.718 4.480 0.002 0.000 0.230 21 M C -0.252 175.966 176.300 -0.138 0.000 1.153 21 M CA 0.291 55.349 55.300 -0.404 0.000 0.997 21 M CB -0.678 31.427 32.600 -0.826 0.000 1.606 21 M HN 0.151 nan 8.290 nan 0.000 0.481 22 S N -0.018 115.649 115.700 -0.055 0.000 2.536 22 S HA 0.417 4.889 4.470 0.002 0.000 0.298 22 S C 0.641 175.275 174.600 0.056 0.000 1.083 22 S CA -0.689 57.539 58.200 0.046 0.000 0.995 22 S CB 2.508 65.727 63.200 0.032 0.000 1.058 22 S HN 0.264 nan 8.310 nan 0.000 0.488 23 E N 0.358 120.591 120.200 0.056 0.000 2.447 23 E HA 0.271 4.623 4.350 0.002 0.000 0.204 23 E C -0.534 176.062 176.600 -0.007 0.000 0.977 23 E CA 0.238 56.637 56.400 -0.001 0.000 0.950 23 E CB 0.811 30.461 29.700 -0.083 0.000 0.975 23 E HN 0.248 nan 8.360 nan 0.000 0.496 24 V N 0.455 120.378 119.914 0.015 0.000 3.048 24 V HA 0.639 4.760 4.120 0.002 0.000 0.303 24 V C -1.584 174.527 176.094 0.028 0.000 1.214 24 V CA -0.954 61.358 62.300 0.019 0.000 0.984 24 V CB 2.074 33.917 31.823 0.034 0.000 1.054 24 V HN 0.066 nan 8.190 nan 0.000 0.430 25 A N 2.696 125.533 122.820 0.029 0.000 2.402 25 A HA 0.938 5.259 4.320 0.002 0.000 0.291 25 A C -0.507 177.091 177.584 0.024 0.000 1.051 25 A CA -0.030 52.027 52.037 0.034 0.000 0.716 25 A CB 1.567 20.627 19.000 0.100 0.000 1.223 25 A HN 1.601 nan 8.150 nan 0.000 0.425 26 A N 2.688 125.508 122.820 0.001 0.000 2.276 26 A HA 0.824 5.145 4.320 0.002 0.000 0.316 26 A C -0.482 177.087 177.584 -0.024 0.000 1.229 26 A CA -0.240 51.790 52.037 -0.011 0.000 0.851 26 A CB 0.258 19.259 19.000 0.001 0.000 1.165 26 A HN 0.851 nan 8.150 nan 0.000 0.513 27 I N 0.563 121.108 120.570 -0.043 0.000 3.239 27 I HA 0.666 4.837 4.170 0.002 0.000 0.314 27 I C -1.468 174.667 176.117 0.030 0.000 1.126 27 I CA -0.706 60.578 61.300 -0.027 0.000 0.973 27 I CB 2.565 40.515 38.000 -0.083 0.000 1.252 27 I HN 0.682 nan 8.210 nan 0.000 0.463 28 Y N 3.945 124.197 120.300 -0.081 0.000 2.357 28 Y HA 0.304 4.855 4.550 0.002 0.000 0.319 28 Y C -2.644 173.309 175.900 0.089 0.000 1.225 28 Y CA -1.512 56.587 58.100 -0.002 0.000 1.095 28 Y CB 1.624 40.112 38.460 0.047 0.000 1.302 28 Y HN 0.214 nan 8.280 nan 0.000 0.429 29 P HA 0.337 nan 4.420 nan 0.000 0.271 29 P C -0.811 176.465 177.300 -0.040 0.000 1.233 29 P CA 0.375 63.440 63.100 -0.060 0.000 0.764 29 P CB 1.389 33.096 31.700 0.011 0.000 0.825 30 I N 2.334 122.919 120.570 0.025 0.000 2.571 30 I HA 0.156 4.327 4.170 0.002 0.000 0.286 30 I C -0.422 175.680 176.117 -0.025 0.000 1.134 30 I CA -0.415 60.896 61.300 0.018 0.000 1.052 30 I CB 2.031 40.084 38.000 0.088 0.000 1.237 30 I HN 0.149 nan 8.210 nan 0.000 0.435 31 T N 8.704 123.223 114.554 -0.060 0.000 2.940 31 T HA 0.157 4.508 4.350 0.002 0.000 0.309 31 T C -2.028 172.600 174.700 -0.119 0.000 1.056 31 T CA -0.513 61.530 62.100 -0.095 0.000 1.137 31 T CB 0.556 69.380 68.868 -0.073 0.000 0.976 31 T HN 0.483 nan 8.240 nan 0.000 0.547 32 P HA 0.118 nan 4.420 nan 0.000 0.261 32 P C 1.074 178.270 177.300 -0.174 0.000 1.268 32 P CA -0.012 62.814 63.100 -0.457 0.000 0.833 32 P CB 0.066 31.060 31.700 -1.176 0.000 1.231 33 S N -1.870 113.765 115.700 -0.109 0.000 2.603 33 S HA 0.023 4.494 4.470 0.002 0.000 0.220 33 S C 1.639 176.224 174.600 -0.024 0.000 0.967 33 S CA 0.279 58.456 58.200 -0.038 0.000 0.920 33 S CB -1.131 62.075 63.200 0.009 0.000 0.773 33 S HN -0.038 nan 8.310 nan 0.000 0.529 34 S N 2.317 117.997 115.700 -0.034 0.000 2.374 34 S HA -0.150 4.321 4.470 0.002 0.000 0.227 34 S C 1.962 176.510 174.600 -0.086 0.000 1.037 34 S CA 1.940 60.125 58.200 -0.025 0.000 1.024 34 S CB -1.136 62.050 63.200 -0.024 0.000 0.861 34 S HN 0.756 nan 8.310 nan 0.000 0.456 35 T N 3.284 117.758 114.554 -0.133 0.000 2.544 35 T HA -0.235 4.117 4.350 0.002 0.000 0.264 35 T C 1.824 176.334 174.700 -0.315 0.000 1.096 35 T CA 1.852 63.826 62.100 -0.211 0.000 1.181 35 T CB -0.650 68.088 68.868 -0.216 0.000 0.864 35 T HN 0.329 nan 8.240 nan 0.000 0.415 36 M N 0.725 120.103 119.600 -0.370 0.000 2.345 36 M HA -0.245 4.236 4.480 0.002 0.000 0.253 36 M C 2.684 178.426 176.300 -0.931 0.000 1.068 36 M CA 2.277 57.153 55.300 -0.707 0.000 1.069 36 M CB -1.280 30.791 32.600 -0.881 0.000 1.292 36 M HN 0.515 nan 8.290 nan 0.000 0.430 37 G N -0.335 108.063 108.800 -0.668 0.000 2.422 37 G HA2 -0.192 3.769 3.960 0.002 0.000 0.218 37 G HA3 -0.192 3.769 3.960 0.002 0.000 0.218 37 G C 1.265 176.171 174.900 0.010 0.000 1.146 37 G CA 1.008 45.998 45.100 -0.183 0.000 0.769 37 G HN 0.622 nan 8.290 nan 0.000 0.547 38 E N 0.485 120.578 120.200 -0.179 0.000 2.107 38 E HA -0.068 4.283 4.350 0.002 0.000 0.191 38 E C 2.332 178.657 176.600 -0.458 0.000 0.982 38 E CA 0.912 57.053 56.400 -0.433 0.000 0.809 38 E CB -0.100 29.340 29.700 -0.434 0.000 0.756 38 E HN 0.560 nan 8.360 nan 0.000 0.459 39 E N 1.092 120.947 120.200 -0.575 0.000 2.072 39 E HA -0.118 4.234 4.350 0.002 0.000 0.190 39 E C 2.207 178.164 176.600 -1.073 0.000 0.982 39 E CA 0.735 56.545 56.400 -0.984 0.000 0.803 39 E CB -0.128 28.856 29.700 -1.193 0.000 0.755 39 E HN 0.208 nan 8.360 nan 0.000 0.453 40 A N 1.659 124.127 122.820 -0.586 0.000 1.948 40 A HA -0.280 4.041 4.320 0.002 0.000 0.220 40 A C 1.861 179.567 177.584 0.203 0.000 1.177 40 A CA 2.134 54.178 52.037 0.012 0.000 0.636 40 A CB -0.477 18.590 19.000 0.112 0.000 0.815 40 A HN 0.213 nan 8.150 nan 0.000 0.449 41 D N -0.896 119.527 120.400 0.037 0.000 2.162 41 D HA -0.082 4.559 4.640 0.002 0.000 0.203 41 D C 1.278 177.608 176.300 0.049 0.000 0.967 41 D CA 1.155 55.216 54.000 0.102 0.000 0.840 41 D CB -0.067 40.782 40.800 0.083 0.000 0.972 41 D HN 0.323 nan 8.370 nan 0.000 0.482 42 D N -0.475 119.872 120.400 -0.088 0.000 2.117 42 D HA -0.117 4.524 4.640 0.002 0.000 0.198 42 D C 1.790 178.208 176.300 0.196 0.000 0.982 42 D CA 0.584 54.580 54.000 -0.007 0.000 0.828 42 D CB -0.347 40.403 40.800 -0.084 0.000 0.967 42 D HN 0.391 nan 8.370 nan 0.000 0.464 43 W N 1.705 123.021 121.300 0.027 0.000 2.335 43 W HA -0.002 4.659 4.660 0.002 0.000 0.311 43 W C 2.597 179.147 176.519 0.051 0.000 1.213 43 W CA 0.700 58.015 57.345 -0.049 0.000 1.274 43 W CB -1.424 27.901 29.460 -0.226 0.000 1.148 43 W HN -0.037 nan 8.180 nan 0.000 0.498 44 A N 0.516 123.667 122.820 0.552 0.000 1.908 44 A HA -0.035 4.286 4.320 0.002 0.000 0.218 44 A C 2.193 179.942 177.584 0.275 0.000 1.181 44 A CA 2.729 55.058 52.037 0.486 0.000 0.627 44 A CB -1.156 18.105 19.000 0.435 0.000 0.818 44 A HN 0.156 nan 8.150 nan 0.000 0.445 45 A N -1.027 121.922 122.820 0.215 0.000 2.172 45 A HA -0.078 4.243 4.320 0.002 0.000 0.216 45 A C 1.701 179.374 177.584 0.148 0.000 1.154 45 A CA 1.269 53.398 52.037 0.153 0.000 0.701 45 A CB -0.342 18.723 19.000 0.107 0.000 0.789 45 A HN 0.679 nan 8.150 nan 0.000 0.465 46 Q N -1.478 118.412 119.800 0.151 0.000 2.189 46 Q HA 0.355 4.696 4.340 0.002 0.000 0.221 46 Q C 0.991 177.034 176.000 0.073 0.000 0.848 46 Q CA 0.196 56.061 55.803 0.103 0.000 1.007 46 Q CB 0.342 29.133 28.738 0.088 0.000 1.116 46 Q HN 0.723 nan 8.270 nan 0.000 0.481 47 G N 1.940 110.803 108.800 0.104 0.000 2.189 47 G HA2 -0.388 3.573 3.960 0.002 0.000 0.267 47 G HA3 -0.388 3.573 3.960 0.002 0.000 0.267 47 G C 0.334 175.282 174.900 0.081 0.000 0.975 47 G CA 0.330 45.485 45.100 0.092 0.000 0.644 47 G HN 0.398 nan 8.290 nan 0.000 0.537 48 R N 0.652 121.178 120.500 0.044 0.000 2.523 48 R HA 0.258 4.599 4.340 0.002 0.000 0.281 48 R C 0.127 176.505 176.300 0.130 0.000 0.969 48 R CA 0.473 56.541 56.100 -0.053 0.000 1.093 48 R CB 0.325 30.432 30.300 -0.322 0.000 0.917 48 R HN 0.040 nan 8.270 nan 0.000 0.408 49 K N 3.249 123.720 120.400 0.118 0.000 2.138 49 K HA 0.164 4.485 4.320 0.002 0.000 0.263 49 K C -0.122 176.722 176.600 0.406 0.000 0.965 49 K CA -0.854 55.586 56.287 0.254 0.000 0.868 49 K CB 1.288 33.881 32.500 0.156 0.000 1.083 49 K HN 0.702 nan 8.250 nan 0.000 0.443 50 N N 0.944 119.905 118.700 0.436 0.000 2.374 50 N HA 0.078 4.819 4.740 0.002 0.000 0.284 50 N C 1.202 176.814 175.510 0.170 0.000 1.280 50 N CA -0.396 52.863 53.050 0.349 0.000 0.963 50 N CB -0.078 38.570 38.487 0.269 0.000 1.141 50 N HN 0.612 nan 8.380 nan 0.000 0.565 51 I N -4.563 115.956 120.570 -0.085 0.000 2.850 51 I HA 0.021 4.192 4.170 0.002 0.000 0.266 51 I C 0.334 176.259 176.117 -0.319 0.000 1.257 51 I CA 1.143 62.282 61.300 -0.269 0.000 1.465 51 I CB -0.605 37.096 38.000 -0.498 0.000 1.091 51 I HN 0.199 nan 8.210 nan 0.000 0.467 52 F N 1.853 121.830 119.950 0.045 0.000 2.664 52 F HA 0.485 5.013 4.527 0.002 0.000 0.303 52 F C 1.891 177.726 175.800 0.057 0.000 1.092 52 F CA 0.265 58.292 58.000 0.045 0.000 1.305 52 F CB 0.252 39.277 39.000 0.041 0.000 1.054 52 F HN 0.232 nan 8.300 nan 0.000 0.565 53 G N -0.102 108.824 108.800 0.211 0.000 2.143 53 G HA2 -0.223 3.738 3.960 0.002 0.000 0.249 53 G HA3 -0.223 3.738 3.960 0.002 0.000 0.249 53 G C 0.127 175.131 174.900 0.173 0.000 0.981 53 G CA -0.187 45.011 45.100 0.163 0.000 0.665 53 G HN 0.236 nan 8.290 nan 0.000 0.528 54 Q N 0.724 120.655 119.800 0.217 0.000 2.257 54 Q HA 0.626 4.967 4.340 0.002 0.000 0.262 54 Q C 0.706 176.835 176.000 0.215 0.000 0.997 54 Q CA 0.170 56.080 55.803 0.180 0.000 0.873 54 Q CB 1.383 30.205 28.738 0.141 0.000 1.312 54 Q HN 0.592 nan 8.270 nan 0.000 0.450 55 T N -1.576 113.094 114.554 0.194 0.000 2.899 55 T HA 0.416 4.767 4.350 0.002 0.000 0.295 55 T C 0.302 175.101 174.700 0.164 0.000 1.033 55 T CA -0.800 61.456 62.100 0.260 0.000 1.084 55 T CB 0.580 69.585 68.868 0.228 0.000 0.979 55 T HN 0.381 nan 8.240 nan 0.000 0.532 56 L N 2.123 123.407 121.223 0.101 0.000 2.439 56 L HA 0.361 4.702 4.340 0.002 0.000 0.269 56 L C 0.357 177.240 176.870 0.022 0.000 1.179 56 L CA 0.391 55.179 54.840 -0.087 0.000 0.828 56 L CB 0.776 42.560 42.059 -0.458 0.000 1.106 56 L HN 0.892 nan 8.230 nan 0.000 0.467 57 T N 6.482 121.043 114.554 0.010 0.000 2.811 57 T HA 0.540 4.891 4.350 0.002 0.000 0.309 57 T C -0.256 174.468 174.700 0.040 0.000 1.005 57 T CA -0.076 62.045 62.100 0.035 0.000 0.955 57 T CB -0.373 68.509 68.868 0.022 0.000 0.970 57 T HN 0.324 nan 8.240 nan 0.000 0.496 58 I N 3.114 123.726 120.570 0.069 0.000 2.460 58 I HA 0.616 4.788 4.170 0.002 0.000 0.298 58 I C 0.287 176.429 176.117 0.042 0.000 0.989 58 I CA -0.850 60.496 61.300 0.075 0.000 1.173 58 I CB 1.158 39.250 38.000 0.154 0.000 1.338 58 I HN 0.210 nan 8.210 nan 0.000 0.456 59 R N 3.036 123.529 120.500 -0.012 0.000 2.725 59 R HA 0.435 4.776 4.340 0.002 0.000 0.277 59 R C -1.069 175.148 176.300 -0.138 0.000 0.987 59 R CA -0.867 55.205 56.100 -0.046 0.000 0.901 59 R CB 2.167 32.455 30.300 -0.020 0.000 1.207 59 R HN 0.695 nan 8.270 nan 0.000 0.463 60 E N 3.183 123.271 120.200 -0.186 0.000 2.134 60 E HA 0.276 4.627 4.350 0.002 0.000 0.278 60 E C -0.227 176.333 176.600 -0.068 0.000 0.959 60 E CA -0.583 55.662 56.400 -0.257 0.000 0.783 60 E CB 0.843 30.294 29.700 -0.414 0.000 1.095 60 E HN 0.202 nan 8.360 nan 0.000 0.399 61 M N 2.535 122.149 119.600 0.022 0.000 2.219 61 M HA 0.029 4.510 4.480 0.002 0.000 0.280 61 M C 1.182 177.580 176.300 0.163 0.000 1.189 61 M CA -0.083 55.250 55.300 0.055 0.000 1.010 61 M CB 0.588 33.189 32.600 0.002 0.000 1.422 61 M HN 0.603 nan 8.290 nan 0.000 0.504 62 Q N 0.630 120.465 119.800 0.058 0.000 2.389 62 Q HA 0.038 4.379 4.340 0.002 0.000 0.204 62 Q C -0.117 175.809 176.000 -0.123 0.000 0.944 62 Q CA 0.759 56.617 55.803 0.091 0.000 0.908 62 Q CB 0.215 28.973 28.738 0.033 0.000 1.002 62 Q HN 0.732 nan 8.270 nan 0.000 0.493 63 S N -0.585 114.794 115.700 -0.536 0.000 2.615 63 S HA 0.174 4.645 4.470 0.002 0.000 0.268 63 S C 0.104 174.241 174.600 -0.773 0.000 1.146 63 S CA -0.313 57.241 58.200 -1.077 0.000 0.818 63 S CB 0.645 63.562 63.200 -0.473 0.000 1.111 63 S HN 0.222 nan 8.310 nan 0.000 0.465 64 E N 0.558 120.392 120.200 -0.610 0.000 2.502 64 E HA 0.161 4.512 4.350 0.002 0.000 0.194 64 E C 1.430 177.951 176.600 -0.132 0.000 1.062 64 E CA 0.740 57.008 56.400 -0.220 0.000 0.867 64 E CB -0.172 29.495 29.700 -0.056 0.000 0.888 64 E HN 0.686 nan 8.360 nan 0.000 0.510 65 A N 1.793 124.524 122.820 -0.148 0.000 1.943 65 A HA 0.199 4.520 4.320 0.002 0.000 0.213 65 A C 2.410 179.960 177.584 -0.056 0.000 1.181 65 A CA 0.967 52.960 52.037 -0.073 0.000 0.653 65 A CB -0.809 18.146 19.000 -0.075 0.000 0.833 65 A HN 0.349 nan 8.150 nan 0.000 0.451 66 G N 0.015 108.758 108.800 -0.095 0.000 2.421 66 G HA2 -0.020 3.941 3.960 0.002 0.000 0.216 66 G HA3 -0.020 3.941 3.960 0.002 0.000 0.216 66 G C 1.753 176.633 174.900 -0.033 0.000 1.171 66 G CA 1.471 46.536 45.100 -0.059 0.000 0.775 66 G HN 0.766 nan 8.290 nan 0.000 0.543 67 A N 1.092 123.880 122.820 -0.054 0.000 1.940 67 A HA 0.207 4.528 4.320 0.002 0.000 0.219 67 A C 2.790 180.374 177.584 0.000 0.000 1.176 67 A CA 2.338 54.358 52.037 -0.027 0.000 0.631 67 A CB -0.706 18.274 19.000 -0.033 0.000 0.814 67 A HN 0.810 nan 8.150 nan 0.000 0.446 68 A N -0.589 122.238 122.820 0.012 0.000 1.898 68 A HA 0.153 4.475 4.320 0.002 0.000 0.216 68 A C 2.398 180.076 177.584 0.156 0.000 1.181 68 A CA 1.829 53.926 52.037 0.101 0.000 0.620 68 A CB -1.298 17.760 19.000 0.095 0.000 0.819 68 A HN 0.728 nan 8.150 nan 0.000 0.442 69 G N -0.783 108.083 108.800 0.110 0.000 2.422 69 G HA2 0.093 4.055 3.960 0.002 0.000 0.218 69 G HA3 0.093 4.055 3.960 0.002 0.000 0.218 69 G C 1.647 176.617 174.900 0.118 0.000 1.140 69 G CA 1.258 46.442 45.100 0.140 0.000 0.775 69 G HN 0.742 nan 8.290 nan 0.000 0.545 70 A N 0.227 123.091 122.820 0.075 0.000 1.897 70 A HA 0.145 4.466 4.320 0.002 0.000 0.215 70 A C 2.551 180.187 177.584 0.087 0.000 1.181 70 A CA 1.521 53.589 52.037 0.052 0.000 0.620 70 A CB -0.586 18.429 19.000 0.026 0.000 0.821 70 A HN 0.206 nan 8.150 nan 0.000 0.443 71 V N -0.138 119.851 119.914 0.125 0.000 2.392 71 V HA -0.315 3.807 4.120 0.002 0.000 0.249 71 V C 2.435 178.681 176.094 0.254 0.000 1.059 71 V CA 2.324 64.734 62.300 0.182 0.000 1.051 71 V CB -0.986 30.980 31.823 0.238 0.000 0.658 71 V HN 0.833 nan 8.190 nan 0.000 0.455 72 H N 0.036 119.192 119.070 0.144 0.000 2.299 72 H HA -0.123 4.434 4.556 0.002 0.000 0.302 72 H C 2.294 177.681 175.328 0.098 0.000 1.078 72 H CA 1.384 57.510 56.048 0.130 0.000 1.323 72 H CB -0.187 29.645 29.762 0.117 0.000 1.381 72 H HN 0.450 nan 8.280 nan 0.000 0.498 73 G N 0.118 108.873 108.800 -0.075 0.000 2.432 73 G HA2 -0.260 3.702 3.960 0.002 0.000 0.219 73 G HA3 -0.260 3.702 3.960 0.002 0.000 0.219 73 G C 1.822 176.699 174.900 -0.038 0.000 1.135 73 G CA 0.772 45.783 45.100 -0.148 0.000 0.767 73 G HN 0.577 nan 8.290 nan 0.000 0.550 74 A N 0.705 123.546 122.820 0.035 0.000 1.841 74 A HA 0.104 4.425 4.320 0.002 0.000 0.214 74 A C 2.431 180.078 177.584 0.104 0.000 1.195 74 A CA 1.275 53.346 52.037 0.057 0.000 0.611 74 A CB -0.536 18.510 19.000 0.077 0.000 0.835 74 A HN 0.326 nan 8.150 nan 0.000 0.443 75 L N -0.592 120.740 121.223 0.183 0.000 2.012 75 L HA -0.260 4.081 4.340 0.002 0.000 0.210 75 L C 3.138 180.159 176.870 0.251 0.000 1.073 75 L CA 1.233 56.257 54.840 0.307 0.000 0.748 75 L CB -0.587 41.649 42.059 0.294 0.000 0.891 75 L HN 0.467 nan 8.230 nan 0.000 0.431 76 A N 0.061 122.972 122.820 0.153 0.000 1.892 76 A HA -0.210 4.112 4.320 0.002 0.000 0.218 76 A C 2.223 179.813 177.584 0.011 0.000 1.188 76 A CA 1.824 53.912 52.037 0.084 0.000 0.631 76 A CB -0.837 18.140 19.000 -0.037 0.000 0.822 76 A HN 0.413 nan 8.150 nan 0.000 0.447 77 A N -1.697 121.109 122.820 -0.022 0.000 2.250 77 A HA 0.402 4.723 4.320 0.002 0.000 0.208 77 A C 1.803 179.316 177.584 -0.118 0.000 1.254 77 A CA 1.184 53.182 52.037 -0.066 0.000 0.858 77 A CB -1.393 17.573 19.000 -0.057 0.000 0.820 77 A HN 2.013 nan 8.150 nan 0.000 0.484 78 G N -1.937 106.736 108.800 -0.211 0.000 2.253 78 G HA2 0.016 3.978 3.960 0.002 0.000 0.251 78 G HA3 0.016 3.978 3.960 0.002 0.000 0.251 78 G C 0.553 175.275 174.900 -0.296 0.000 0.998 78 G CA 0.251 45.064 45.100 -0.478 0.000 0.621 78 G HN 1.713 nan 8.290 nan 0.000 0.524 79 A N 0.504 123.328 122.820 0.006 0.000 2.340 79 A HA 0.750 5.072 4.320 0.002 0.000 0.268 79 A C 0.553 178.351 177.584 0.355 0.000 1.100 79 A CA -0.274 51.834 52.037 0.119 0.000 0.803 79 A CB 0.450 19.476 19.000 0.043 0.000 1.043 79 A HN 0.831 nan 8.150 nan 0.000 0.488 80 L N 1.741 123.141 121.223 0.295 0.000 2.380 80 L HA 0.413 4.754 4.340 0.002 0.000 0.273 80 L C 0.334 177.290 176.870 0.143 0.000 1.138 80 L CA 0.103 55.060 54.840 0.194 0.000 0.832 80 L CB 1.037 43.187 42.059 0.151 0.000 1.124 80 L HN 0.779 nan 8.230 nan 0.000 0.454 81 T N 0.678 115.310 114.554 0.130 0.000 2.883 81 T HA 0.686 5.037 4.350 0.002 0.000 0.296 81 T C -0.452 174.332 174.700 0.140 0.000 1.117 81 T CA -0.629 61.547 62.100 0.126 0.000 1.006 81 T CB 2.265 71.217 68.868 0.139 0.000 1.191 81 T HN 0.613 nan 8.240 nan 0.000 0.508 82 T N 0.113 114.714 114.554 0.078 0.000 2.812 82 T HA 0.846 5.197 4.350 0.002 0.000 0.294 82 T C -0.911 173.645 174.700 -0.240 0.000 1.159 82 T CA -0.823 61.273 62.100 -0.007 0.000 1.008 82 T CB 2.043 70.856 68.868 -0.090 0.000 1.289 82 T HN 0.730 nan 8.240 nan 0.000 0.514 83 T N 0.223 114.453 114.554 -0.539 0.000 2.893 83 T HA 0.601 4.953 4.350 0.002 0.000 0.337 83 T C -2.167 172.052 174.700 -0.802 0.000 1.587 83 T CA -0.636 61.053 62.100 -0.684 0.000 1.066 83 T CB 0.616 69.114 68.868 -0.618 0.000 1.414 83 T HN 0.425 nan 8.240 nan 0.000 0.488 84 F N 1.664 121.589 119.950 -0.041 0.000 2.520 84 F HA 0.809 5.338 4.527 0.002 0.000 0.322 84 F C 0.729 176.506 175.800 -0.039 0.000 1.103 84 F CA -0.576 57.438 58.000 0.025 0.000 0.926 84 F CB 2.497 41.539 39.000 0.070 0.000 1.154 84 F HN 0.558 nan 8.300 nan 0.000 0.453 85 T N 0.811 115.425 114.554 0.100 0.000 2.718 85 T HA 0.853 5.204 4.350 0.002 0.000 0.306 85 T C -1.725 172.979 174.700 0.006 0.000 1.485 85 T CA -0.314 61.807 62.100 0.036 0.000 0.997 85 T CB 1.486 70.327 68.868 -0.044 0.000 1.504 85 T HN 1.032 nan 8.240 nan 0.000 0.497 86 A N 0.552 123.370 122.820 -0.003 0.000 2.568 86 A HA 0.818 5.140 4.320 0.002 0.000 0.291 86 A C 1.080 178.651 177.584 -0.022 0.000 1.159 86 A CA 0.496 52.513 52.037 -0.034 0.000 0.679 86 A CB 0.530 19.497 19.000 -0.055 0.000 1.285 86 A HN 2.101 nan 8.150 nan 0.000 0.428 87 S N 0.147 115.826 115.700 -0.034 0.000 1.878 87 S HA -0.434 4.038 4.470 0.002 0.000 0.537 87 S C 1.490 176.083 174.600 -0.012 0.000 0.915 87 S CA 2.602 60.787 58.200 -0.026 0.000 3.381 87 S CB -1.381 61.805 63.200 -0.023 0.000 2.352 87 S HN 1.074 nan 8.310 nan 0.000 0.593 88 Q N 1.886 121.688 119.800 0.004 0.000 2.124 88 Q HA 0.030 4.371 4.340 0.002 0.000 0.202 88 Q C 2.584 178.601 176.000 0.027 0.000 0.977 88 Q CA 1.788 57.602 55.803 0.018 0.000 0.850 88 Q CB -1.597 27.164 28.738 0.039 0.000 0.901 88 Q HN 0.867 nan 8.270 nan 0.000 0.429 89 G N 1.607 110.434 108.800 0.045 0.000 2.440 89 G HA2 -0.243 3.719 3.960 0.002 0.000 0.218 89 G HA3 -0.243 3.719 3.960 0.002 0.000 0.218 89 G C 1.511 176.416 174.900 0.008 0.000 1.154 89 G CA 0.906 46.036 45.100 0.051 0.000 0.767 89 G HN 0.316 nan 8.290 nan 0.000 0.552 90 L N 0.453 121.674 121.223 -0.004 0.000 2.017 90 L HA 0.096 4.437 4.340 0.002 0.000 0.208 90 L C 2.782 179.639 176.870 -0.021 0.000 1.073 90 L CA 1.310 56.140 54.840 -0.016 0.000 0.745 90 L CB -0.464 41.576 42.059 -0.032 0.000 0.894 90 L HN 0.210 nan 8.230 nan 0.000 0.432 91 L N -1.025 120.186 121.223 -0.019 0.000 2.081 91 L HA -0.286 4.055 4.340 0.002 0.000 0.212 91 L C 2.412 179.277 176.870 -0.010 0.000 1.080 91 L CA 1.294 56.125 54.840 -0.016 0.000 0.754 91 L CB -0.602 41.452 42.059 -0.010 0.000 0.893 91 L HN 0.336 nan 8.230 nan 0.000 0.433 92 L N -1.121 120.096 121.223 -0.010 0.000 2.362 92 L HA -0.159 4.182 4.340 0.002 0.000 0.219 92 L C 2.155 179.020 176.870 -0.008 0.000 1.134 92 L CA 0.939 55.770 54.840 -0.015 0.000 0.807 92 L CB -0.288 41.751 42.059 -0.033 0.000 0.927 92 L HN 0.406 nan 8.230 nan 0.000 0.447 93 M N -1.072 118.528 119.600 0.000 0.000 2.495 93 M HA 0.035 4.516 4.480 0.002 0.000 0.237 93 M C 1.930 178.231 176.300 0.002 0.000 1.131 93 M CA 0.354 55.673 55.300 0.031 0.000 1.032 93 M CB 0.299 32.953 32.600 0.090 0.000 1.513 93 M HN 0.170 nan 8.290 nan 0.000 0.488 94 I N 0.972 121.532 120.570 -0.017 0.000 2.163 94 I HA -0.217 3.954 4.170 0.002 0.000 0.243 94 I C -0.594 175.595 176.117 0.120 0.000 1.085 94 I CA 1.688 62.974 61.300 -0.023 0.000 1.347 94 I CB -1.785 36.224 38.000 0.015 0.000 1.044 94 I HN 0.146 nan 8.210 nan 0.000 0.408 95 P HA -0.146 nan 4.420 nan 0.000 0.215 95 P C 1.266 178.654 177.300 0.146 0.000 1.157 95 P CA 1.488 64.681 63.100 0.156 0.000 0.874 95 P CB -0.094 31.639 31.700 0.054 0.000 0.790 96 N N -1.136 117.607 118.700 0.073 0.000 2.106 96 N HA -0.100 4.641 4.740 0.002 0.000 0.188 96 N C 1.746 177.245 175.510 -0.019 0.000 1.029 96 N CA 1.319 54.385 53.050 0.027 0.000 0.848 96 N CB -0.625 37.909 38.487 0.078 0.000 1.007 96 N HN 0.170 nan 8.380 nan 0.000 0.423 97 M N -0.029 119.515 119.600 -0.094 0.000 2.116 97 M HA -0.258 4.223 4.480 0.002 0.000 0.255 97 M C 1.818 178.077 176.300 -0.069 0.000 1.075 97 M CA 1.726 56.841 55.300 -0.308 0.000 1.087 97 M CB -0.591 31.499 32.600 -0.849 0.000 1.340 97 M HN 0.185 nan 8.290 nan 0.000 0.402 98 Y N 0.159 120.418 120.300 -0.069 0.000 2.181 98 Y HA -0.194 4.357 4.550 0.002 0.000 0.288 98 Y C 2.529 178.416 175.900 -0.023 0.000 1.146 98 Y CA 1.171 59.261 58.100 -0.018 0.000 1.164 98 Y CB -0.261 38.184 38.460 -0.025 0.000 0.982 98 Y HN 0.058 nan 8.280 nan 0.000 0.515 99 K N 0.227 120.670 120.400 0.072 0.000 2.103 99 K HA -0.071 4.250 4.320 0.002 0.000 0.204 99 K C 2.013 178.517 176.600 -0.160 0.000 1.052 99 K CA 1.117 57.352 56.287 -0.086 0.000 0.945 99 K CB -0.616 31.720 32.500 -0.273 0.000 0.722 99 K HN 0.385 nan 8.250 nan 0.000 0.443 100 I N 1.354 121.836 120.570 -0.146 0.000 2.226 100 I HA -0.272 3.900 4.170 0.002 0.000 0.245 100 I C 2.216 178.327 176.117 -0.010 0.000 1.100 100 I CA 1.557 62.827 61.300 -0.049 0.000 1.374 100 I CB -0.237 37.822 38.000 0.098 0.000 1.057 100 I HN 0.107 nan 8.210 nan 0.000 0.413 101 S N 0.095 115.825 115.700 0.050 0.000 2.478 101 S HA 0.085 4.556 4.470 0.002 0.000 0.222 101 S C 2.116 176.743 174.600 0.046 0.000 1.008 101 S CA 0.390 58.587 58.200 -0.004 0.000 0.928 101 S CB -0.595 62.654 63.200 0.082 0.000 0.781 101 S HN 0.428 nan 8.310 nan 0.000 0.518 102 G N 2.467 111.306 108.800 0.064 0.000 2.440 102 G HA2 -0.158 3.803 3.960 0.002 0.000 0.218 102 G HA3 -0.158 3.803 3.960 0.002 0.000 0.218 102 G C 1.198 176.112 174.900 0.023 0.000 1.154 102 G CA 0.704 45.839 45.100 0.058 0.000 0.767 102 G HN 0.695 nan 8.290 nan 0.000 0.552 103 E N 0.581 120.797 120.200 0.027 0.000 2.403 103 E HA 0.294 4.645 4.350 0.002 0.000 0.188 103 E C 0.063 176.664 176.600 0.002 0.000 1.056 103 E CA -0.442 55.983 56.400 0.040 0.000 0.892 103 E CB -0.020 29.754 29.700 0.124 0.000 1.049 103 E HN 0.342 nan 8.360 nan 0.000 0.465 104 L N 1.466 122.655 121.223 -0.057 0.000 3.844 104 L HA -0.235 4.106 4.340 0.002 0.000 0.580 104 L C -0.621 176.215 176.870 -0.055 0.000 1.156 104 L CA 0.406 55.174 54.840 -0.121 0.000 0.848 104 L CB -1.435 40.471 42.059 -0.256 0.000 1.283 104 L HN 0.329 nan 8.230 nan 0.000 0.803 105 L N 2.797 123.986 121.223 -0.058 0.000 2.346 105 L HA 0.507 4.848 4.340 0.002 0.000 0.274 105 L C -1.584 175.184 176.870 -0.170 0.000 1.007 105 L CA -1.758 53.068 54.840 -0.022 0.000 0.818 105 L CB 1.819 43.934 42.059 0.092 0.000 1.284 105 L HN -0.038 nan 8.230 nan 0.000 0.424 106 P HA 0.051 nan 4.420 nan 0.000 0.237 106 P C 0.328 177.477 177.300 -0.251 0.000 1.723 106 P CA 0.023 62.925 63.100 -0.331 0.000 0.882 106 P CB -0.091 31.299 31.700 -0.518 0.000 1.810 107 G N -0.032 108.636 108.800 -0.220 0.000 2.606 107 G HA2 0.416 4.377 3.960 0.002 0.000 0.252 107 G HA3 0.416 4.377 3.960 0.002 0.000 0.252 107 G C -0.852 173.957 174.900 -0.152 0.000 1.206 107 G CA -0.148 44.889 45.100 -0.104 0.000 0.861 107 G HN 0.161 nan 8.290 nan 0.000 0.561 108 V N 1.027 120.980 119.914 0.066 0.000 2.655 108 V HA 0.380 4.501 4.120 0.002 0.000 0.301 108 V C -1.429 174.916 176.094 0.418 0.000 1.082 108 V CA -0.730 61.587 62.300 0.028 0.000 0.899 108 V CB 1.644 33.269 31.823 -0.330 0.000 1.014 108 V HN 0.567 nan 8.190 nan 0.000 0.429 109 F N 2.792 122.741 119.950 -0.000 0.000 2.467 109 F HA 0.613 5.142 4.527 0.002 0.000 0.336 109 F C 0.198 175.948 175.800 -0.084 0.000 1.123 109 F CA -1.264 56.753 58.000 0.029 0.000 0.964 109 F CB 1.535 40.617 39.000 0.137 0.000 1.136 109 F HN 0.506 nan 8.300 nan 0.000 0.447 110 H N 1.579 120.783 119.070 0.223 0.000 2.541 110 H HA 0.579 5.136 4.556 0.002 0.000 0.316 110 H C -0.551 174.892 175.328 0.191 0.000 1.043 110 H CA -0.629 55.604 56.048 0.309 0.000 1.232 110 H CB 1.633 31.686 29.762 0.486 0.000 1.406 110 H HN 0.398 nan 8.280 nan 0.000 0.469 111 V N 1.912 121.899 119.914 0.122 0.000 2.540 111 V HA 0.495 4.616 4.120 0.002 0.000 0.302 111 V C 0.197 176.092 176.094 -0.331 0.000 1.035 111 V CA -0.795 61.488 62.300 -0.029 0.000 0.873 111 V CB 1.885 33.707 31.823 -0.002 0.000 0.992 111 V HN 0.870 nan 8.190 nan 0.000 0.428 112 T N 3.376 117.674 114.554 -0.425 0.000 3.414 112 T HA 0.654 5.006 4.350 0.002 0.000 0.304 112 T C 0.587 175.125 174.700 -0.270 0.000 1.241 112 T CA 0.278 61.992 62.100 -0.644 0.000 1.076 112 T CB -0.106 68.472 68.868 -0.483 0.000 1.134 112 T HN 1.993 nan 8.240 nan 0.000 0.759 113 A N 3.592 126.316 122.820 -0.160 0.000 2.589 113 A HA 0.171 4.493 4.320 0.002 0.000 0.259 113 A C 0.697 178.262 177.584 -0.031 0.000 1.000 113 A CA 0.266 52.275 52.037 -0.047 0.000 0.847 113 A CB -0.290 18.786 19.000 0.126 0.000 0.885 113 A HN 0.994 nan 8.150 nan 0.000 0.508 114 R N 2.398 122.873 120.500 -0.042 0.000 2.771 114 R HA 0.641 4.982 4.340 0.002 0.000 0.274 114 R C -0.046 176.243 176.300 -0.019 0.000 0.987 114 R CA -0.191 55.901 56.100 -0.013 0.000 0.908 114 R CB 1.536 31.822 30.300 -0.023 0.000 1.213 114 R HN 1.081 nan 8.270 nan 0.000 0.468 115 A N 3.827 126.647 122.820 -0.000 0.000 2.466 115 A HA 0.283 4.604 4.320 0.002 0.000 0.238 115 A C 0.127 177.699 177.584 -0.021 0.000 1.074 115 A CA -0.172 51.858 52.037 -0.011 0.000 0.774 115 A CB 0.169 19.173 19.000 0.007 0.000 1.015 115 A HN 0.528 nan 8.150 nan 0.000 0.498 116 I N 0.803 121.358 120.570 -0.026 0.000 2.428 116 I HA 0.373 4.544 4.170 0.002 0.000 0.296 116 I C 0.894 176.978 176.117 -0.055 0.000 0.985 116 I CA -0.249 61.032 61.300 -0.032 0.000 1.260 116 I CB 1.153 39.140 38.000 -0.022 0.000 1.389 116 I HN 0.701 nan 8.210 nan 0.000 0.484 117 A N 4.681 127.466 122.820 -0.059 0.000 2.395 117 A HA 0.595 4.916 4.320 0.002 0.000 0.286 117 A C 0.503 178.032 177.584 -0.091 0.000 1.193 117 A CA 0.229 52.211 52.037 -0.092 0.000 0.852 117 A CB 0.089 19.047 19.000 -0.070 0.000 1.118 117 A HN 0.972 nan 8.150 nan 0.000 0.524 118 A N 2.311 125.045 122.820 -0.143 0.000 2.523 118 A HA 0.357 4.678 4.320 0.002 0.000 0.212 118 A C 1.678 179.217 177.584 -0.075 0.000 2.213 118 A CA 0.523 52.517 52.037 -0.071 0.000 1.683 118 A CB -0.596 18.403 19.000 -0.002 0.000 1.169 118 A HN 0.982 nan 8.150 nan 0.000 0.397 119 H N -0.000 119.092 119.070 0.037 0.000 2.457 119 H HA 0.373 4.930 4.556 0.002 0.000 0.294 119 H C 0.512 175.889 175.328 0.081 0.000 1.064 119 H CA 1.324 57.411 56.048 0.064 0.000 1.330 119 H CB -0.256 29.548 29.762 0.069 0.000 1.395 119 H HN 0.616 nan 8.280 nan 0.000 0.541 120 A N 0.869 123.299 122.820 -0.650 0.000 2.594 120 A HA 0.534 4.855 4.320 0.002 0.000 0.291 120 A C -1.017 176.395 177.584 -0.287 0.000 1.105 120 A CA -0.803 51.043 52.037 -0.319 0.000 0.694 120 A CB 1.535 20.421 19.000 -0.189 0.000 1.291 120 A HN 0.290 nan 8.150 nan 0.000 0.410 121 L N 0.410 121.557 121.223 -0.126 0.000 2.416 121 L HA 0.869 5.210 4.340 0.002 0.000 0.262 121 L C -0.013 176.824 176.870 -0.055 0.000 1.093 121 L CA -0.128 54.660 54.840 -0.086 0.000 0.801 121 L CB 1.753 43.784 42.059 -0.047 0.000 1.191 121 L HN 0.770 nan 8.230 nan 0.000 0.459 122 S N 1.346 117.025 115.700 -0.034 0.000 2.562 122 S HA 0.356 4.827 4.470 0.002 0.000 0.274 122 S C 0.245 174.822 174.600 -0.039 0.000 1.160 122 S CA -0.714 57.498 58.200 0.020 0.000 0.933 122 S CB 1.193 64.439 63.200 0.077 0.000 1.100 122 S HN 0.685 nan 8.310 nan 0.000 0.468 123 I N 0.920 121.384 120.570 -0.176 0.000 3.603 123 I HA 0.398 4.569 4.170 0.002 0.000 0.297 123 I C -0.010 175.943 176.117 -0.273 0.000 1.269 123 I CA 0.033 61.174 61.300 -0.265 0.000 1.361 123 I CB -0.179 37.587 38.000 -0.391 0.000 1.063 123 I HN 0.308 nan 8.210 nan 0.000 0.448 124 F N 2.594 122.567 119.950 0.037 0.000 2.408 124 F HA 0.545 5.073 4.527 0.002 0.000 0.303 124 F C 1.491 177.364 175.800 0.122 0.000 1.268 124 F CA -0.181 57.853 58.000 0.056 0.000 1.218 124 F CB 0.020 38.960 39.000 -0.100 0.000 1.283 124 F HN -0.120 nan 8.300 nan 0.000 0.545 125 G N 0.175 109.181 108.800 0.342 0.000 2.338 125 G HA2 0.527 4.488 3.960 0.002 0.000 0.298 125 G HA3 0.527 4.488 3.960 0.002 0.000 0.298 125 G C -1.570 173.343 174.900 0.022 0.000 1.140 125 G CA -0.249 44.954 45.100 0.171 0.000 0.860 125 G HN 0.718 nan 8.290 nan 0.000 0.470 126 D N -1.033 119.337 120.400 -0.051 0.000 2.725 126 D HA 0.079 4.720 4.640 0.002 0.000 0.292 126 D C -0.427 175.773 176.300 -0.167 0.000 1.288 126 D CA -0.773 53.100 54.000 -0.212 0.000 0.784 126 D CB 0.186 40.868 40.800 -0.197 0.000 1.308 126 D HN 0.414 nan 8.370 nan 0.000 0.429 127 H N -0.569 118.397 119.070 -0.175 0.000 2.537 127 H HA 0.234 4.791 4.556 0.002 0.000 0.295 127 H C 0.774 175.977 175.328 -0.209 0.000 1.054 127 H CA -0.105 55.742 56.048 -0.336 0.000 1.156 127 H CB 0.484 29.865 29.762 -0.634 0.000 1.468 127 H HN 0.262 nan 8.280 nan 0.000 0.551 128 Q N 0.744 120.547 119.800 0.006 0.000 2.167 128 Q HA -0.148 4.193 4.340 0.002 0.000 0.202 128 Q C 1.401 177.404 176.000 0.005 0.000 0.970 128 Q CA 1.570 57.400 55.803 0.044 0.000 0.855 128 Q CB 0.197 28.942 28.738 0.012 0.000 0.911 128 Q HN 0.683 nan 8.270 nan 0.000 0.438 129 D N 0.230 120.594 120.400 -0.060 0.000 2.213 129 D HA -0.132 4.509 4.640 0.002 0.000 0.205 129 D C 1.827 178.040 176.300 -0.144 0.000 0.961 129 D CA 0.644 54.596 54.000 -0.081 0.000 0.853 129 D CB -0.470 40.283 40.800 -0.078 0.000 0.967 129 D HN 0.471 nan 8.370 nan 0.000 0.496 130 I N -2.216 118.178 120.570 -0.294 0.000 2.286 130 I HA -0.126 4.045 4.170 0.002 0.000 0.245 130 I C 1.890 177.863 176.117 -0.239 0.000 1.104 130 I CA 0.779 61.815 61.300 -0.441 0.000 1.397 130 I CB -0.786 36.586 38.000 -1.045 0.000 1.072 130 I HN -0.242 nan 8.210 nan 0.000 0.417 131 Y N 1.947 122.123 120.300 -0.208 0.000 2.403 131 Y HA 0.003 4.555 4.550 0.002 0.000 0.291 131 Y C 2.759 178.621 175.900 -0.063 0.000 1.143 131 Y CA 0.532 58.572 58.100 -0.101 0.000 1.257 131 Y CB -0.936 37.474 38.460 -0.083 0.000 0.984 131 Y HN 0.289 nan 8.280 nan 0.000 0.550 132 A N -0.522 122.339 122.820 0.067 0.000 2.014 132 A HA 0.141 4.462 4.320 0.002 0.000 0.218 132 A C 2.169 179.741 177.584 -0.020 0.000 1.163 132 A CA 1.254 53.304 52.037 0.021 0.000 0.652 132 A CB -0.669 18.329 19.000 -0.003 0.000 0.808 132 A HN 0.277 nan 8.150 nan 0.000 0.449 133 A N -1.191 121.593 122.820 -0.061 0.000 2.423 133 A HA 0.281 4.602 4.320 0.002 0.000 0.246 133 A C 1.724 179.241 177.584 -0.111 0.000 1.278 133 A CA 0.130 52.082 52.037 -0.142 0.000 0.903 133 A CB -0.418 18.457 19.000 -0.208 0.000 0.997 133 A HN 0.440 nan 8.150 nan 0.000 0.510 134 R N 0.467 120.966 120.500 -0.001 0.000 2.133 134 R HA -0.204 4.137 4.340 0.002 0.000 0.247 134 R C 1.947 178.232 176.300 -0.024 0.000 1.151 134 R CA 1.969 58.109 56.100 0.066 0.000 0.971 134 R CB 0.056 30.435 30.300 0.132 0.000 0.866 134 R HN 0.776 nan 8.270 nan 0.000 0.447 135 Q N -0.779 118.979 119.800 -0.071 0.000 2.282 135 Q HA -0.008 4.333 4.340 0.002 0.000 0.206 135 Q C 1.214 177.075 176.000 -0.232 0.000 0.878 135 Q CA 1.071 56.821 55.803 -0.088 0.000 0.944 135 Q CB 0.227 28.966 28.738 0.003 0.000 1.100 135 Q HN 0.265 nan 8.270 nan 0.000 0.509 136 T N -2.388 111.886 114.554 -0.466 0.000 2.946 136 T HA 0.106 4.457 4.350 0.002 0.000 0.271 136 T C 1.526 176.007 174.700 -0.364 0.000 1.104 136 T CA 1.402 62.964 62.100 -0.898 0.000 1.114 136 T CB -0.255 68.102 68.868 -0.852 0.000 0.867 136 T HN 0.579 nan 8.240 nan 0.000 0.513 137 G N 0.153 108.884 108.800 -0.116 0.000 2.195 137 G HA2 -0.170 3.792 3.960 0.002 0.000 0.224 137 G HA3 -0.170 3.792 3.960 0.002 0.000 0.224 137 G C -0.094 174.930 174.900 0.207 0.000 0.990 137 G CA -0.325 44.806 45.100 0.050 0.000 0.639 137 G HN 0.468 nan 8.290 nan 0.000 0.514 138 F N 2.125 121.982 119.950 -0.155 0.000 2.506 138 F HA 0.622 5.151 4.527 0.002 0.000 0.351 138 F C 1.140 176.803 175.800 -0.230 0.000 1.136 138 F CA -0.136 57.736 58.000 -0.214 0.000 1.298 138 F CB 0.952 39.783 39.000 -0.281 0.000 1.145 138 F HN 0.373 nan 8.300 nan 0.000 0.593 139 A N 4.884 127.472 122.820 -0.387 0.000 2.322 139 A HA 0.702 5.023 4.320 0.002 0.000 0.269 139 A C -0.452 176.849 177.584 -0.471 0.000 1.094 139 A CA -0.497 51.166 52.037 -0.622 0.000 0.807 139 A CB 0.361 18.461 19.000 -1.500 0.000 1.047 139 A HN 0.754 nan 8.150 nan 0.000 0.487 140 M N 1.745 121.204 119.600 -0.235 0.000 2.393 140 M HA 0.497 4.978 4.480 0.002 0.000 0.299 140 M C -1.245 175.128 176.300 0.122 0.000 1.103 140 M CA -0.052 55.300 55.300 0.087 0.000 0.910 140 M CB 2.094 34.883 32.600 0.315 0.000 1.659 140 M HN 0.537 nan 8.290 nan 0.000 0.445 141 L N 2.312 123.644 121.223 0.182 0.000 2.482 141 L HA 0.802 5.143 4.340 0.002 0.000 0.269 141 L C -1.183 175.607 176.870 -0.133 0.000 0.967 141 L CA -0.398 54.492 54.840 0.083 0.000 0.851 141 L CB 1.829 44.017 42.059 0.215 0.000 1.242 141 L HN 0.924 nan 8.230 nan 0.000 0.404 142 A N 2.892 125.487 122.820 -0.376 0.000 2.305 142 A HA 0.747 5.069 4.320 0.002 0.000 0.322 142 A C -0.147 177.251 177.584 -0.311 0.000 1.187 142 A CA -0.419 51.157 52.037 -0.769 0.000 0.825 142 A CB 1.237 19.571 19.000 -1.109 0.000 1.164 142 A HN 0.689 nan 8.150 nan 0.000 0.498 143 S N 0.982 116.585 115.700 -0.162 0.000 2.509 143 S HA 0.557 5.028 4.470 0.002 0.000 0.297 143 S C 0.316 174.934 174.600 0.030 0.000 1.118 143 S CA 0.064 58.253 58.200 -0.019 0.000 1.074 143 S CB 1.468 64.738 63.200 0.116 0.000 1.038 143 S HN 1.402 nan 8.310 nan 0.000 0.498 144 S N 0.161 115.892 115.700 0.052 0.000 2.624 144 S HA 0.541 5.012 4.470 0.002 0.000 0.246 144 S C -0.027 174.645 174.600 0.120 0.000 1.072 144 S CA -0.005 58.260 58.200 0.109 0.000 1.045 144 S CB -1.052 62.214 63.200 0.110 0.000 0.851 144 S HN 1.612 nan 8.310 nan 0.000 0.480 145 S N -1.367 114.399 115.700 0.109 0.000 2.680 145 S HA 0.286 4.757 4.470 0.002 0.000 0.284 145 S C 0.412 175.058 174.600 0.076 0.000 1.055 145 S CA -0.349 57.911 58.200 0.100 0.000 0.849 145 S CB 0.261 63.517 63.200 0.092 0.000 1.068 145 S HN 0.152 nan 8.310 nan 0.000 0.453 146 V N 1.509 121.467 119.914 0.074 0.000 2.317 146 V HA -0.245 3.877 4.120 0.002 0.000 0.251 146 V C 2.901 179.030 176.094 0.058 0.000 1.065 146 V CA 2.775 65.104 62.300 0.048 0.000 1.049 146 V CB -1.100 30.762 31.823 0.065 0.000 0.651 146 V HN 1.000 nan 8.190 nan 0.000 0.450 147 Q N 0.507 120.357 119.800 0.083 0.000 2.084 147 Q HA -0.223 4.118 4.340 0.002 0.000 0.202 147 Q C 2.102 178.188 176.000 0.144 0.000 0.978 147 Q CA 2.066 57.935 55.803 0.109 0.000 0.844 147 Q CB -0.367 28.443 28.738 0.119 0.000 0.898 147 Q HN 0.696 nan 8.270 nan 0.000 0.426 148 E N -1.084 119.184 120.200 0.113 0.000 2.338 148 E HA -0.083 4.268 4.350 0.002 0.000 0.197 148 E C 1.590 178.192 176.600 0.004 0.000 1.007 148 E CA 0.574 57.005 56.400 0.052 0.000 0.849 148 E CB -0.065 29.649 29.700 0.023 0.000 0.774 148 E HN 0.510 nan 8.360 nan 0.000 0.506 149 A N 0.764 123.593 122.820 0.015 0.000 1.929 149 A HA -0.200 4.121 4.320 0.002 0.000 0.216 149 A C 2.022 179.633 177.584 0.044 0.000 1.176 149 A CA 1.393 53.417 52.037 -0.021 0.000 0.628 149 A CB -0.573 18.223 19.000 -0.340 0.000 0.816 149 A HN 0.379 nan 8.150 nan 0.000 0.444 150 H N 0.526 119.598 119.070 0.003 0.000 2.276 150 H HA -0.131 4.426 4.556 0.002 0.000 0.301 150 H C 1.344 176.685 175.328 0.023 0.000 1.073 150 H CA 2.007 58.089 56.048 0.056 0.000 1.311 150 H CB -0.313 29.500 29.762 0.085 0.000 1.379 150 H HN 0.375 nan 8.280 nan 0.000 0.494 151 D N 0.808 121.291 120.400 0.138 0.000 2.088 151 D HA -0.152 4.490 4.640 0.002 0.000 0.191 151 D C 2.382 178.574 176.300 -0.181 0.000 0.992 151 D CA 1.127 55.160 54.000 0.055 0.000 0.831 151 D CB -0.525 40.401 40.800 0.211 0.000 0.973 151 D HN 0.260 nan 8.370 nan 0.000 0.447 152 M N 0.616 120.049 119.600 -0.279 0.000 2.260 152 M HA -0.109 4.372 4.480 0.002 0.000 0.261 152 M C 1.894 177.838 176.300 -0.594 0.000 1.066 152 M CA 0.834 55.888 55.300 -0.410 0.000 1.082 152 M CB -0.669 31.711 32.600 -0.367 0.000 1.388 152 M HN 0.094 nan 8.290 nan 0.000 0.419 153 A N -1.053 121.419 122.820 -0.579 0.000 1.929 153 A HA -0.064 4.257 4.320 0.002 0.000 0.216 153 A C 2.229 179.760 177.584 -0.089 0.000 1.176 153 A CA 1.020 52.859 52.037 -0.329 0.000 0.628 153 A CB -0.734 18.311 19.000 0.077 0.000 0.816 153 A HN 0.478 nan 8.150 nan 0.000 0.444 154 L N -0.123 120.979 121.223 -0.202 0.000 1.994 154 L HA -0.149 4.192 4.340 0.002 0.000 0.208 154 L C 2.495 179.238 176.870 -0.213 0.000 1.071 154 L CA 1.602 56.329 54.840 -0.187 0.000 0.745 154 L CB -0.361 41.561 42.059 -0.229 0.000 0.892 154 L HN 0.259 nan 8.230 nan 0.000 0.431 155 V N 0.422 120.198 119.914 -0.230 0.000 2.282 155 V HA -0.360 3.761 4.120 0.002 0.000 0.249 155 V C 2.807 178.626 176.094 -0.458 0.000 1.057 155 V CA 1.906 64.046 62.300 -0.266 0.000 1.032 155 V CB -1.066 30.651 31.823 -0.177 0.000 0.645 155 V HN 0.609 nan 8.190 nan 0.000 0.447 156 A N -1.640 120.904 122.820 -0.460 0.000 1.972 156 A HA -0.249 4.072 4.320 0.002 0.000 0.219 156 A C 2.130 179.275 177.584 -0.732 0.000 1.169 156 A CA 1.800 53.410 52.037 -0.712 0.000 0.635 156 A CB -0.680 18.136 19.000 -0.306 0.000 0.810 156 A HN 0.689 nan 8.150 nan 0.000 0.446 157 H N -0.437 118.384 119.070 -0.415 0.000 2.317 157 H HA 0.036 4.593 4.556 0.002 0.000 0.304 157 H C 2.128 177.189 175.328 -0.445 0.000 1.067 157 H CA 1.696 57.546 56.048 -0.330 0.000 1.352 157 H CB -0.219 29.416 29.762 -0.212 0.000 1.398 157 H HN 0.425 nan 8.280 nan 0.000 0.510 158 L N 0.248 121.197 121.223 -0.456 0.000 2.017 158 L HA -0.137 4.205 4.340 0.002 0.000 0.208 158 L C 2.908 179.285 176.870 -0.821 0.000 1.073 158 L CA 1.096 55.479 54.840 -0.763 0.000 0.745 158 L CB -0.511 40.772 42.059 -1.294 0.000 0.894 158 L HN 0.181 nan 8.230 nan 0.000 0.432 159 A N -0.135 122.200 122.820 -0.809 0.000 2.019 159 A HA -0.096 4.225 4.320 0.002 0.000 0.219 159 A C 2.500 179.858 177.584 -0.377 0.000 1.164 159 A CA 1.593 53.352 52.037 -0.463 0.000 0.644 159 A CB -0.581 18.076 19.000 -0.573 0.000 0.805 159 A HN 0.408 nan 8.150 nan 0.000 0.449 160 A N -0.022 122.493 122.820 -0.508 0.000 1.897 160 A HA 0.015 4.336 4.320 0.002 0.000 0.215 160 A C 2.076 179.531 177.584 -0.215 0.000 1.181 160 A CA 1.282 53.148 52.037 -0.286 0.000 0.620 160 A CB -0.508 18.308 19.000 -0.307 0.000 0.821 160 A HN 0.462 nan 8.150 nan 0.000 0.443 161 I N -0.701 119.730 120.570 -0.232 0.000 2.226 161 I HA -0.249 3.922 4.170 0.002 0.000 0.245 161 I C 2.617 178.684 176.117 -0.083 0.000 1.100 161 I CA 1.805 62.997 61.300 -0.180 0.000 1.374 161 I CB -0.222 37.694 38.000 -0.138 0.000 1.057 161 I HN 0.492 nan 8.210 nan 0.000 0.413 162 E N 0.430 120.608 120.200 -0.037 0.000 2.086 162 E HA -0.159 4.192 4.350 0.002 0.000 0.190 162 E C 2.273 178.896 176.600 0.038 0.000 0.975 162 E CA 1.365 57.794 56.400 0.048 0.000 0.813 162 E CB 0.163 29.963 29.700 0.166 0.000 0.768 162 E HN 0.475 nan 8.360 nan 0.000 0.457 163 S N -0.064 115.650 115.700 0.023 0.000 2.446 163 S HA -0.041 4.430 4.470 0.002 0.000 0.225 163 S C 0.814 175.463 174.600 0.082 0.000 1.016 163 S CA 0.820 59.046 58.200 0.043 0.000 0.943 163 S CB -0.030 63.200 63.200 0.051 0.000 0.786 163 S HN 0.333 nan 8.310 nan 0.000 0.508 164 N N -0.489 118.216 118.700 0.008 0.000 2.850 164 N HA -0.115 4.626 4.740 0.002 0.000 0.249 164 N C -1.210 174.226 175.510 -0.123 0.000 1.060 164 N CA 0.895 53.926 53.050 -0.032 0.000 0.825 164 N CB -1.645 36.883 38.487 0.069 0.000 1.132 164 N HN 0.391 nan 8.380 nan 0.000 0.564 165 V N 0.860 120.684 119.914 -0.150 0.000 2.357 165 V HA 0.429 4.550 4.120 0.002 0.000 0.284 165 V C -1.952 173.992 176.094 -0.250 0.000 1.018 165 V CA -1.566 60.562 62.300 -0.286 0.000 0.841 165 V CB 1.800 33.378 31.823 -0.409 0.000 0.991 165 V HN -0.096 nan 8.190 nan 0.000 0.437 166 P HA 0.171 nan 4.420 nan 0.000 0.270 166 P C -1.020 175.907 177.300 -0.622 0.000 1.227 166 P CA 0.058 62.712 63.100 -0.743 0.000 0.788 166 P CB 0.397 31.085 31.700 -1.686 0.000 0.926 167 F N 0.689 120.252 119.950 -0.644 0.000 2.551 167 F HA 0.545 5.073 4.527 0.002 0.000 0.316 167 F C 0.119 175.854 175.800 -0.109 0.000 1.089 167 F CA -0.692 57.117 58.000 -0.319 0.000 0.915 167 F CB 1.731 40.574 39.000 -0.262 0.000 1.186 167 F HN 0.113 nan 8.300 nan 0.000 0.456 168 M N 5.038 124.737 119.600 0.165 0.000 2.181 168 M HA 0.404 4.885 4.480 0.002 0.000 0.323 168 M C -1.942 174.547 176.300 0.314 0.000 1.004 168 M CA -0.540 54.937 55.300 0.294 0.000 0.941 168 M CB 1.026 33.804 32.600 0.297 0.000 1.579 168 M HN 0.749 nan 8.290 nan 0.000 0.427 169 H N 6.165 125.313 119.070 0.130 0.000 2.511 169 H HA 0.620 5.177 4.556 0.002 0.000 0.328 169 H C -2.091 173.424 175.328 0.311 0.000 1.044 169 H CA -0.699 55.434 56.048 0.140 0.000 1.212 169 H CB 0.691 30.436 29.762 -0.029 0.000 1.428 169 H HN 0.610 nan 8.280 nan 0.000 0.483 170 F N 4.128 124.057 119.950 -0.034 0.000 2.577 170 F HA 0.741 5.269 4.527 0.002 0.000 0.318 170 F C -1.960 173.886 175.800 0.076 0.000 1.065 170 F CA -1.535 56.401 58.000 -0.106 0.000 0.929 170 F CB 1.177 40.101 39.000 -0.127 0.000 1.237 170 F HN 0.335 nan 8.300 nan 0.000 0.468 171 F N -1.018 118.950 119.950 0.031 0.000 2.613 171 F HA 0.555 5.083 4.527 0.002 0.000 0.310 171 F C -1.024 174.896 175.800 0.200 0.000 1.085 171 F CA -1.691 56.334 58.000 0.042 0.000 0.945 171 F CB 0.481 39.485 39.000 0.007 0.000 1.298 171 F HN 0.360 nan 8.300 nan 0.000 0.455 172 D N 1.241 121.831 120.400 0.318 0.000 2.455 172 D HA 0.301 4.942 4.640 0.002 0.000 0.241 172 D C 0.454 176.850 176.300 0.159 0.000 1.138 172 D CA 0.512 54.648 54.000 0.226 0.000 0.877 172 D CB 1.185 42.120 40.800 0.225 0.000 1.187 172 D HN 0.989 nan 8.370 nan 0.000 0.451 173 G N 1.140 109.999 108.800 0.098 0.000 2.343 173 G HA2 0.282 4.243 3.960 0.002 0.000 0.254 173 G HA3 0.282 4.243 3.960 0.002 0.000 0.254 173 G C 0.301 175.383 174.900 0.304 0.000 1.277 173 G CA -0.203 44.937 45.100 0.067 0.000 0.909 173 G HN 0.516 nan 8.290 nan 0.000 0.502 174 F N -0.188 119.860 119.950 0.164 0.000 2.545 174 F HA -0.256 4.272 4.527 0.002 0.000 0.690 174 F C 2.195 178.268 175.800 0.454 0.000 0.488 174 F CA 1.706 59.843 58.000 0.228 0.000 0.791 174 F CB -0.824 38.277 39.000 0.169 0.000 1.653 174 F HN 0.461 nan 8.300 nan 0.000 0.266 175 R N 0.748 121.554 120.500 0.511 0.000 2.328 175 R HA 0.096 4.437 4.340 0.002 0.000 0.207 175 R C 1.209 177.682 176.300 0.289 0.000 1.056 175 R CA 1.848 58.132 56.100 0.307 0.000 1.016 175 R CB -0.599 29.799 30.300 0.163 0.000 0.872 175 R HN 0.640 nan 8.270 nan 0.000 0.471 176 T N -2.439 112.338 114.554 0.372 0.000 3.336 176 T HA -0.038 4.313 4.350 0.002 0.000 0.273 176 T C 1.438 176.398 174.700 0.433 0.000 0.932 176 T CA 0.511 62.827 62.100 0.361 0.000 0.995 176 T CB -0.128 68.976 68.868 0.394 0.000 1.213 176 T HN 0.289 nan 8.240 nan 0.000 0.502 177 S N 1.606 117.635 115.700 0.548 0.000 2.370 177 S HA -0.160 4.311 4.470 0.002 0.000 0.226 177 S C 1.247 176.054 174.600 0.346 0.000 1.033 177 S CA 1.486 60.020 58.200 0.555 0.000 1.011 177 S CB -0.506 62.906 63.200 0.354 0.000 0.852 177 S HN 0.560 nan 8.310 nan 0.000 0.457 178 H N 1.022 120.227 119.070 0.225 0.000 2.488 178 H HA 0.520 5.077 4.556 0.002 0.000 0.294 178 H C -0.337 175.185 175.328 0.325 0.000 1.088 178 H CA -0.355 55.838 56.048 0.242 0.000 1.086 178 H CB 0.093 30.020 29.762 0.274 0.000 1.569 178 H HN 0.604 nan 8.280 nan 0.000 0.548 179 E N 1.789 122.213 120.200 0.373 0.000 2.113 179 E HA 0.203 4.554 4.350 0.002 0.000 0.273 179 E C -0.275 176.442 176.600 0.195 0.000 0.924 179 E CA -0.980 55.614 56.400 0.323 0.000 0.764 179 E CB 0.965 30.828 29.700 0.272 0.000 1.104 179 E HN 0.414 nan 8.360 nan 0.000 0.406 180 I N 2.665 123.338 120.570 0.172 0.000 2.634 180 I HA 0.275 4.446 4.170 0.002 0.000 0.284 180 I C -0.659 175.502 176.117 0.074 0.000 1.124 180 I CA 0.223 61.595 61.300 0.121 0.000 1.417 180 I CB 0.918 39.008 38.000 0.149 0.000 1.396 180 I HN 0.579 nan 8.210 nan 0.000 0.571 181 Q N 4.751 124.591 119.800 0.066 0.000 2.479 181 Q HA 0.319 4.660 4.340 0.002 0.000 0.276 181 Q C -1.604 174.438 176.000 0.070 0.000 0.989 181 Q CA -0.766 55.074 55.803 0.060 0.000 0.864 181 Q CB 1.399 30.177 28.738 0.066 0.000 1.444 181 Q HN 0.705 nan 8.270 nan 0.000 0.388 182 K N 4.491 124.948 120.400 0.094 0.000 2.292 182 K HA 0.350 4.672 4.320 0.002 0.000 0.290 182 K C -0.353 176.302 176.600 0.092 0.000 1.083 182 K CA -0.058 56.277 56.287 0.079 0.000 0.918 182 K CB -0.194 32.348 32.500 0.069 0.000 1.089 182 K HN 0.653 nan 8.250 nan 0.000 0.473 183 I N -0.622 119.971 120.570 0.037 0.000 3.264 183 I HA 0.502 4.673 4.170 0.002 0.000 0.309 183 I C -0.611 175.481 176.117 -0.041 0.000 1.099 183 I CA -0.946 60.365 61.300 0.018 0.000 0.989 183 I CB 1.978 39.979 38.000 0.002 0.000 1.250 183 I HN 0.377 nan 8.210 nan 0.000 0.478 184 E N 2.717 122.871 120.200 -0.077 0.000 2.155 184 E HA 0.466 4.817 4.350 0.002 0.000 0.264 184 E C -1.104 175.326 176.600 -0.283 0.000 0.886 184 E CA -0.541 55.786 56.400 -0.121 0.000 0.752 184 E CB 2.086 31.751 29.700 -0.060 0.000 1.133 184 E HN 0.633 nan 8.360 nan 0.000 0.414 185 V N 1.825 121.566 119.914 -0.288 0.000 3.438 185 V HA 0.665 4.786 4.120 0.002 0.000 0.298 185 V C 0.018 176.055 176.094 -0.096 0.000 1.148 185 V CA -0.880 61.169 62.300 -0.419 0.000 0.994 185 V CB 1.070 32.695 31.823 -0.330 0.000 1.236 185 V HN 0.628 nan 8.190 nan 0.000 0.455 186 L N -0.166 121.226 121.223 0.282 0.000 2.354 186 L HA 0.585 4.926 4.340 0.002 0.000 0.264 186 L C -1.034 176.041 176.870 0.341 0.000 1.008 186 L CA -0.787 54.230 54.840 0.295 0.000 0.819 186 L CB 2.247 44.506 42.059 0.333 0.000 1.339 186 L HN 0.663 nan 8.230 nan 0.000 0.420 187 D N -0.042 120.475 120.400 0.196 0.000 2.313 187 D HA 0.089 4.730 4.640 0.002 0.000 0.247 187 D C 0.604 177.046 176.300 0.236 0.000 1.094 187 D CA -0.175 53.919 54.000 0.157 0.000 0.925 187 D CB 0.896 41.734 40.800 0.064 0.000 1.188 187 D HN 0.270 nan 8.370 nan 0.000 0.430 188 Y N 1.033 121.290 120.300 -0.072 0.000 2.207 188 Y HA -0.172 4.379 4.550 0.002 0.000 0.287 188 Y C 2.338 178.185 175.900 -0.088 0.000 1.156 188 Y CA 0.833 58.867 58.100 -0.109 0.000 1.182 188 Y CB -1.132 37.254 38.460 -0.123 0.000 0.979 188 Y HN 0.483 nan 8.280 nan 0.000 0.521 189 A N 0.054 122.935 122.820 0.101 0.000 1.978 189 A HA -0.192 4.129 4.320 0.002 0.000 0.220 189 A C 1.853 179.446 177.584 0.014 0.000 1.170 189 A CA 2.037 54.093 52.037 0.032 0.000 0.636 189 A CB -0.626 18.389 19.000 0.023 0.000 0.810 189 A HN 0.359 nan 8.150 nan 0.000 0.448 190 D N -0.786 119.636 120.400 0.037 0.000 2.162 190 D HA -0.036 4.605 4.640 0.002 0.000 0.203 190 D C 2.002 178.306 176.300 0.006 0.000 0.967 190 D CA 1.119 55.138 54.000 0.032 0.000 0.840 190 D CB -0.305 40.531 40.800 0.060 0.000 0.972 190 D HN 0.455 nan 8.370 nan 0.000 0.482 191 M N 0.480 120.070 119.600 -0.018 0.000 2.086 191 M HA -0.097 4.384 4.480 0.002 0.000 0.261 191 M C 2.265 178.493 176.300 -0.120 0.000 1.067 191 M CA 1.422 56.667 55.300 -0.091 0.000 1.116 191 M CB -0.203 32.287 32.600 -0.184 0.000 1.348 191 M HN 0.006 nan 8.290 nan 0.000 0.407 192 A N 0.255 122.998 122.820 -0.129 0.000 1.940 192 A HA -0.192 4.129 4.320 0.002 0.000 0.219 192 A C 2.234 179.762 177.584 -0.093 0.000 1.176 192 A CA 2.202 54.145 52.037 -0.157 0.000 0.631 192 A CB -1.023 17.887 19.000 -0.149 0.000 0.814 192 A HN 0.607 nan 8.150 nan 0.000 0.446 193 S N -1.283 114.389 115.700 -0.047 0.000 2.515 193 S HA 0.045 4.516 4.470 0.002 0.000 0.231 193 S C 1.255 175.859 174.600 0.007 0.000 0.987 193 S CA 0.950 59.140 58.200 -0.015 0.000 0.936 193 S CB -0.174 63.026 63.200 0.000 0.000 0.766 193 S HN 0.203 nan 8.310 nan 0.000 0.528 194 L N 1.638 122.866 121.223 0.009 0.000 2.585 194 L HA 0.418 4.759 4.340 0.002 0.000 0.226 194 L C 0.303 177.233 176.870 0.099 0.000 1.113 194 L CA 0.015 54.901 54.840 0.077 0.000 0.876 194 L CB -0.415 41.700 42.059 0.093 0.000 1.072 194 L HN 0.196 nan 8.230 nan 0.000 0.468 195 V N 1.652 121.571 119.914 0.008 0.000 2.479 195 V HA 0.031 4.152 4.120 0.002 0.000 0.281 195 V C 0.937 177.064 176.094 0.055 0.000 1.031 195 V CA -0.408 61.892 62.300 0.001 0.000 1.038 195 V CB 0.400 32.190 31.823 -0.055 0.000 0.981 195 V HN 0.325 nan 8.190 nan 0.000 0.478 196 N N 5.135 123.892 118.700 0.095 0.000 2.416 196 N HA 0.024 4.765 4.740 0.002 0.000 0.271 196 N C 1.099 176.653 175.510 0.074 0.000 1.245 196 N CA 0.022 53.128 53.050 0.093 0.000 0.940 196 N CB 1.068 39.627 38.487 0.119 0.000 1.175 196 N HN 0.638 nan 8.380 nan 0.000 0.483 197 Q N 3.312 123.151 119.800 0.065 0.000 2.187 197 Q HA -0.095 4.246 4.340 0.002 0.000 0.199 197 Q C 1.007 177.053 176.000 0.077 0.000 0.957 197 Q CA 1.182 57.030 55.803 0.075 0.000 0.857 197 Q CB 0.009 28.782 28.738 0.060 0.000 0.929 197 Q HN 0.515 nan 8.270 nan 0.000 0.453 198 K N 1.401 121.838 120.400 0.061 0.000 2.148 198 K HA -0.035 4.286 4.320 0.002 0.000 0.204 198 K C 2.024 178.667 176.600 0.072 0.000 1.050 198 K CA 1.290 57.611 56.287 0.056 0.000 0.942 198 K CB -0.340 32.184 32.500 0.039 0.000 0.724 198 K HN 0.174 nan 8.250 nan 0.000 0.446 199 A N 0.818 123.686 122.820 0.079 0.000 1.898 199 A HA -0.023 4.298 4.320 0.002 0.000 0.214 199 A C 2.073 179.739 177.584 0.137 0.000 1.183 199 A CA 0.882 52.975 52.037 0.094 0.000 0.622 199 A CB -0.455 18.590 19.000 0.076 0.000 0.824 199 A HN 0.228 nan 8.150 nan 0.000 0.444 200 L N -0.262 121.046 121.223 0.143 0.000 2.141 200 L HA 0.079 4.420 4.340 0.002 0.000 0.209 200 L C 2.446 179.450 176.870 0.223 0.000 1.094 200 L CA 1.986 56.956 54.840 0.216 0.000 0.763 200 L CB -0.661 41.523 42.059 0.207 0.000 0.908 200 L HN 0.300 nan 8.230 nan 0.000 0.437 201 A N -1.169 121.738 122.820 0.145 0.000 2.066 201 A HA -0.102 4.219 4.320 0.002 0.000 0.218 201 A C 2.110 179.744 177.584 0.084 0.000 1.157 201 A CA 1.260 53.357 52.037 0.101 0.000 0.670 201 A CB -0.409 18.634 19.000 0.071 0.000 0.804 201 A HN 0.598 nan 8.150 nan 0.000 0.453 202 E N -1.354 118.914 120.200 0.114 0.000 2.170 202 E HA -0.051 4.300 4.350 0.002 0.000 0.191 202 E C 1.627 178.312 176.600 0.142 0.000 0.981 202 E CA 0.701 57.162 56.400 0.101 0.000 0.830 202 E CB -0.203 29.556 29.700 0.098 0.000 0.775 202 E HN 0.672 nan 8.360 nan 0.000 0.470 203 F N 2.318 122.292 119.950 0.040 0.000 2.126 203 F HA -0.151 4.377 4.527 0.002 0.000 0.299 203 F C 2.092 177.916 175.800 0.041 0.000 1.096 203 F CA 1.397 59.420 58.000 0.039 0.000 1.255 203 F CB -0.086 38.939 39.000 0.041 0.000 0.997 203 F HN -0.221 nan 8.300 nan 0.000 0.479 204 R N 0.452 120.847 120.500 -0.175 0.000 2.091 204 R HA -0.060 4.281 4.340 0.002 0.000 0.238 204 R C 2.455 178.682 176.300 -0.121 0.000 1.136 204 R CA 1.625 57.576 56.100 -0.249 0.000 0.959 204 R CB -1.036 29.210 30.300 -0.089 0.000 0.856 204 R HN 0.409 nan 8.270 nan 0.000 0.437 205 A N 0.652 123.448 122.820 -0.039 0.000 2.021 205 A HA -0.096 4.225 4.320 0.002 0.000 0.216 205 A C 1.853 179.463 177.584 0.043 0.000 1.163 205 A CA 1.214 53.252 52.037 0.003 0.000 0.676 205 A CB -0.333 18.644 19.000 -0.039 0.000 0.818 205 A HN 0.358 nan 8.150 nan 0.000 0.453 206 K N 0.058 120.457 120.400 -0.001 0.000 2.365 206 K HA 0.053 4.374 4.320 0.002 0.000 0.199 206 K C 0.532 177.106 176.600 -0.043 0.000 1.045 206 K CA 0.877 57.149 56.287 -0.025 0.000 0.962 206 K CB -0.150 32.363 32.500 0.021 0.000 0.759 206 K HN 0.277 nan 8.250 nan 0.000 0.469 207 S N 1.039 116.714 115.700 -0.041 0.000 2.596 207 S HA 0.112 4.583 4.470 0.002 0.000 0.260 207 S C 0.261 174.911 174.600 0.084 0.000 1.336 207 S CA -0.502 57.681 58.200 -0.029 0.000 0.993 207 S CB 0.426 63.504 63.200 -0.203 0.000 0.923 207 S HN 0.228 nan 8.310 nan 0.000 0.567 208 M N 2.691 122.330 119.600 0.064 0.000 2.238 208 M HA 0.216 4.697 4.480 0.002 0.000 0.347 208 M C 0.242 176.442 176.300 -0.166 0.000 1.173 208 M CA 0.512 55.798 55.300 -0.023 0.000 1.147 208 M CB 0.191 32.730 32.600 -0.101 0.000 1.547 208 M HN 0.539 nan 8.290 nan 0.000 0.455 209 N N 2.594 121.125 118.700 -0.282 0.000 3.186 209 N HA 0.172 4.913 4.740 0.002 0.000 0.230 209 N C -2.674 172.655 175.510 -0.303 0.000 1.062 209 N CA -0.807 52.043 53.050 -0.334 0.000 1.084 209 N CB 2.080 40.242 38.487 -0.542 0.000 1.662 209 N HN 0.165 nan 8.380 nan 0.000 0.627 210 P HA 0.014 nan 4.420 nan 0.000 0.228 210 P C 0.636 177.898 177.300 -0.062 0.000 1.151 210 P CA 0.921 63.959 63.100 -0.103 0.000 0.770 210 P CB 0.534 32.193 31.700 -0.069 0.000 0.786 211 E N -0.662 119.507 120.200 -0.052 0.000 2.216 211 E HA -0.091 4.260 4.350 0.002 0.000 0.192 211 E C 0.575 177.265 176.600 0.150 0.000 0.988 211 E CA 0.640 57.080 56.400 0.067 0.000 0.834 211 E CB -0.036 29.753 29.700 0.149 0.000 0.772 211 E HN 0.452 nan 8.360 nan 0.000 0.479 212 H N -1.932 117.147 119.070 0.014 0.000 2.750 212 H HA 0.316 4.873 4.556 0.002 0.000 0.261 212 H C -2.915 172.451 175.328 0.064 0.000 1.387 212 H CA -2.118 53.947 56.048 0.028 0.000 1.557 212 H CB 0.092 29.866 29.762 0.019 0.000 1.756 212 H HN -0.047 nan 8.280 nan 0.000 0.580 213 P HA 0.237 nan 4.420 nan 0.000 0.276 213 P C -0.329 177.045 177.300 0.123 0.000 1.261 213 P CA 0.165 63.261 63.100 -0.007 0.000 0.800 213 P CB 1.890 33.563 31.700 -0.045 0.000 1.066 214 H N -1.857 117.193 119.070 -0.033 0.000 3.037 214 H HA 0.415 4.972 4.556 0.002 0.000 0.336 214 H C -1.907 173.413 175.328 -0.012 0.000 1.323 214 H CA -0.944 55.100 56.048 -0.008 0.000 1.159 214 H CB 1.086 30.853 29.762 0.007 0.000 1.882 214 H HN 0.311 nan 8.280 nan 0.000 0.535 215 V N 2.699 122.607 119.914 -0.011 0.000 2.459 215 V HA 0.656 4.777 4.120 0.002 0.000 0.295 215 V C -0.251 175.859 176.094 0.027 0.000 1.029 215 V CA -0.574 61.681 62.300 -0.075 0.000 0.874 215 V CB 1.184 32.992 31.823 -0.026 0.000 0.985 215 V HN 1.027 nan 8.190 nan 0.000 0.438 216 R N 4.512 125.001 120.500 -0.018 0.000 2.854 216 R HA 0.853 5.194 4.340 0.002 0.000 0.271 216 R C 0.588 176.918 176.300 0.051 0.000 0.994 216 R CA -0.226 55.916 56.100 0.070 0.000 0.945 216 R CB 1.793 32.162 30.300 0.114 0.000 1.194 216 R HN 1.623 nan 8.270 nan 0.000 0.476 217 G N 0.370 109.218 108.800 0.080 0.000 2.234 217 G HA2 -0.365 3.597 3.960 0.002 0.000 0.235 217 G HA3 -0.365 3.597 3.960 0.002 0.000 0.235 217 G C 0.348 175.287 174.900 0.066 0.000 0.997 217 G CA 0.256 45.403 45.100 0.079 0.000 0.623 217 G HN 1.200 nan 8.290 nan 0.000 0.514 218 T N -0.329 114.259 114.554 0.057 0.000 2.819 218 T HA 0.339 4.690 4.350 0.002 0.000 0.320 218 T C 0.569 175.309 174.700 0.066 0.000 1.044 218 T CA 1.155 63.287 62.100 0.054 0.000 1.135 218 T CB 0.809 69.711 68.868 0.056 0.000 1.089 218 T HN 2.070 nan 8.240 nan 0.000 0.502 219 A N 3.818 126.671 122.820 0.054 0.000 2.274 219 A HA 0.547 4.868 4.320 0.002 0.000 0.309 219 A C 0.240 177.867 177.584 0.071 0.000 1.226 219 A CA -0.820 51.250 52.037 0.055 0.000 0.853 219 A CB 0.566 19.583 19.000 0.028 0.000 1.146 219 A HN 0.899 nan 8.150 nan 0.000 0.518 220 Q N 2.031 121.898 119.800 0.111 0.000 2.345 220 Q HA 0.331 4.673 4.340 0.002 0.000 0.268 220 Q C -0.575 175.488 176.000 0.105 0.000 1.054 220 Q CA -0.778 55.106 55.803 0.135 0.000 0.835 220 Q CB 1.863 30.730 28.738 0.215 0.000 1.339 220 Q HN 0.879 nan 8.270 nan 0.000 0.447 221 N N 1.055 119.806 118.700 0.085 0.000 2.385 221 N HA 0.162 4.903 4.740 0.002 0.000 0.291 221 N C -1.823 173.735 175.510 0.080 0.000 1.298 221 N CA -0.930 52.151 53.050 0.052 0.000 0.955 221 N CB 0.151 38.661 38.487 0.039 0.000 1.096 221 N HN 0.324 nan 8.380 nan 0.000 0.543 222 P HA 0.035 nan 4.420 nan 0.000 0.230 222 P C -0.097 177.276 177.300 0.122 0.000 1.168 222 P CA 0.585 63.738 63.100 0.089 0.000 0.793 222 P CB 0.124 31.852 31.700 0.048 0.000 0.851 223 D N 0.757 121.211 120.400 0.090 0.000 2.178 223 D HA -0.176 4.465 4.640 0.002 0.000 0.201 223 D C 1.582 177.935 176.300 0.087 0.000 0.980 223 D CA 1.374 55.421 54.000 0.077 0.000 0.842 223 D CB -1.062 39.769 40.800 0.053 0.000 0.948 223 D HN 0.339 nan 8.370 nan 0.000 0.472 224 I N -5.100 115.536 120.570 0.110 0.000 4.327 224 I HA 0.302 4.473 4.170 0.002 0.000 0.331 224 I C 1.765 177.967 176.117 0.140 0.000 1.348 224 I CA -0.744 60.615 61.300 0.098 0.000 1.152 224 I CB -0.072 37.968 38.000 0.067 0.000 1.151 224 I HN -0.185 nan 8.210 nan 0.000 0.410 225 Y N 1.887 122.236 120.300 0.082 0.000 2.070 225 Y HA -0.262 4.289 4.550 0.002 0.000 0.279 225 Y C 2.399 178.402 175.900 0.172 0.000 1.134 225 Y CA 2.281 60.437 58.100 0.094 0.000 1.113 225 Y CB -0.439 38.060 38.460 0.066 0.000 0.981 225 Y HN 0.207 nan 8.280 nan 0.000 0.487 226 F N 1.598 121.648 119.950 0.167 0.000 2.111 226 F HA -0.366 4.162 4.527 0.002 0.000 0.300 226 F C 2.104 177.876 175.800 -0.048 0.000 1.088 226 F CA 2.313 60.348 58.000 0.057 0.000 1.243 226 F CB -1.062 37.992 39.000 0.089 0.000 0.996 226 F HN 0.284 nan 8.300 nan 0.000 0.483 227 Q N -0.446 119.373 119.800 0.032 0.000 1.967 227 Q HA -0.056 4.285 4.340 0.002 0.000 0.202 227 Q C 2.601 178.568 176.000 -0.055 0.000 0.985 227 Q CA 1.859 57.611 55.803 -0.085 0.000 0.839 227 Q CB -1.315 27.383 28.738 -0.066 0.000 0.906 227 Q HN 0.459 nan 8.270 nan 0.000 0.423 228 G N 0.328 109.091 108.800 -0.060 0.000 2.532 228 G HA2 -0.346 3.615 3.960 0.002 0.000 0.222 228 G HA3 -0.346 3.615 3.960 0.002 0.000 0.222 228 G C 1.514 176.341 174.900 -0.123 0.000 1.102 228 G CA 1.073 46.123 45.100 -0.083 0.000 0.742 228 G HN 0.114 nan 8.290 nan 0.000 0.577 229 R N 0.380 120.780 120.500 -0.168 0.000 2.093 229 R HA 0.066 4.407 4.340 0.002 0.000 0.224 229 R C 2.196 178.478 176.300 -0.031 0.000 1.101 229 R CA 1.025 57.031 56.100 -0.157 0.000 0.979 229 R CB -0.139 30.042 30.300 -0.199 0.000 0.877 229 R HN 0.232 nan 8.270 nan 0.000 0.441 230 E N -0.103 120.105 120.200 0.014 0.000 2.435 230 E HA 0.043 4.394 4.350 0.002 0.000 0.195 230 E C 1.459 178.071 176.600 0.020 0.000 1.029 230 E CA 0.705 57.119 56.400 0.024 0.000 0.865 230 E CB 0.276 29.979 29.700 0.004 0.000 0.833 230 E HN 0.402 nan 8.360 nan 0.000 0.510 231 A N 1.166 123.989 122.820 0.006 0.000 2.178 231 A HA -0.034 4.287 4.320 0.002 0.000 0.218 231 A C 2.148 179.780 177.584 0.081 0.000 1.157 231 A CA 1.429 53.484 52.037 0.031 0.000 0.689 231 A CB -0.181 18.824 19.000 0.008 0.000 0.787 231 A HN 0.196 nan 8.150 nan 0.000 0.465 232 A N -0.406 122.464 122.820 0.084 0.000 2.275 232 A HA 0.091 4.412 4.320 0.002 0.000 0.212 232 A C 1.459 179.256 177.584 0.355 0.000 1.201 232 A CA 0.500 52.633 52.037 0.160 0.000 0.843 232 A CB -0.614 18.453 19.000 0.111 0.000 0.873 232 A HN 0.692 nan 8.150 nan 0.000 0.492 233 N N 1.155 119.995 118.700 0.235 0.000 2.021 233 N HA -0.193 4.548 4.740 0.002 0.000 0.198 233 N C -1.076 174.592 175.510 0.264 0.000 1.041 233 N CA 1.762 54.946 53.050 0.224 0.000 0.862 233 N CB -1.029 37.529 38.487 0.117 0.000 1.048 233 N HN 0.308 nan 8.380 nan 0.000 0.427 234 P HA -0.190 nan 4.420 nan 0.000 0.217 234 P C 0.622 177.943 177.300 0.035 0.000 1.151 234 P CA 1.318 64.469 63.100 0.086 0.000 0.849 234 P CB -0.093 31.615 31.700 0.014 0.000 0.787 235 Y N -2.417 117.924 120.300 0.068 0.000 2.133 235 Y HA -0.172 4.380 4.550 0.002 0.000 0.287 235 Y C 2.350 178.212 175.900 -0.062 0.000 1.134 235 Y CA 1.354 59.442 58.100 -0.020 0.000 1.133 235 Y CB -1.621 36.789 38.460 -0.084 0.000 0.987 235 Y HN -0.024 nan 8.280 nan 0.000 0.502 236 Y N -0.546 119.862 120.300 0.180 0.000 2.497 236 Y HA -0.140 4.412 4.550 0.002 0.000 0.292 236 Y C 2.073 178.012 175.900 0.066 0.000 1.137 236 Y CA 0.825 58.981 58.100 0.093 0.000 1.285 236 Y CB -0.647 37.850 38.460 0.063 0.000 0.991 236 Y HN 0.104 nan 8.280 nan 0.000 0.556 237 L N -0.501 120.833 121.223 0.185 0.000 2.109 237 L HA -0.159 4.182 4.340 0.002 0.000 0.207 237 L C 1.857 178.763 176.870 0.059 0.000 1.086 237 L CA 1.427 56.331 54.840 0.107 0.000 0.760 237 L CB -0.241 41.863 42.059 0.075 0.000 0.910 237 L HN 0.030 nan 8.230 nan 0.000 0.437 238 K N -0.945 119.469 120.400 0.023 0.000 2.400 238 K HA 0.003 4.324 4.320 0.002 0.000 0.194 238 K C 1.837 178.447 176.600 0.017 0.000 1.033 238 K CA 0.155 56.438 56.287 -0.007 0.000 1.021 238 K CB 0.251 32.709 32.500 -0.070 0.000 0.808 238 K HN 0.035 nan 8.250 nan 0.000 0.505 239 V N 1.906 121.837 119.914 0.028 0.000 2.594 239 V HA -0.094 4.027 4.120 0.002 0.000 0.253 239 V C -1.289 174.873 176.094 0.113 0.000 1.069 239 V CA 1.413 63.752 62.300 0.064 0.000 1.082 239 V CB -0.269 31.559 31.823 0.008 0.000 0.680 239 V HN 0.158 nan 8.190 nan 0.000 0.469 240 P HA 0.031 nan 4.420 nan 0.000 0.215 240 P C 1.757 179.106 177.300 0.082 0.000 1.157 240 P CA 1.651 64.810 63.100 0.098 0.000 0.856 240 P CB -0.451 31.301 31.700 0.087 0.000 0.786 241 G N 0.036 108.869 108.800 0.054 0.000 2.422 241 G HA2 -0.230 3.731 3.960 0.002 0.000 0.218 241 G HA3 -0.230 3.731 3.960 0.002 0.000 0.218 241 G C 1.536 176.446 174.900 0.016 0.000 1.146 241 G CA 0.520 45.636 45.100 0.027 0.000 0.769 241 G HN 0.207 nan 8.290 nan 0.000 0.547 242 I N 0.365 120.955 120.570 0.034 0.000 2.286 242 I HA -0.152 4.019 4.170 0.002 0.000 0.248 242 I C 2.698 178.891 176.117 0.126 0.000 1.115 242 I CA 0.508 61.837 61.300 0.048 0.000 1.392 242 I CB -0.201 37.854 38.000 0.091 0.000 1.065 242 I HN 0.041 nan 8.210 nan 0.000 0.418 243 V N 0.986 120.984 119.914 0.141 0.000 2.379 243 V HA -0.228 3.893 4.120 0.002 0.000 0.245 243 V C 2.714 178.880 176.094 0.120 0.000 1.044 243 V CA 1.876 64.268 62.300 0.153 0.000 1.036 243 V CB -0.790 31.146 31.823 0.188 0.000 0.664 243 V HN 0.469 nan 8.190 nan 0.000 0.453 244 A N -0.278 122.592 122.820 0.083 0.000 1.933 244 A HA -0.272 4.050 4.320 0.002 0.000 0.218 244 A C 2.279 179.878 177.584 0.025 0.000 1.175 244 A CA 1.956 54.031 52.037 0.063 0.000 0.628 244 A CB -0.509 18.522 19.000 0.051 0.000 0.814 244 A HN 0.651 nan 8.150 nan 0.000 0.444 245 E N -1.445 118.730 120.200 -0.042 0.000 2.085 245 E HA -0.239 4.112 4.350 0.002 0.000 0.194 245 E C 1.665 178.147 176.600 -0.197 0.000 0.994 245 E CA 1.564 57.863 56.400 -0.170 0.000 0.801 245 E CB -0.275 29.230 29.700 -0.325 0.000 0.743 245 E HN 0.711 nan 8.360 nan 0.000 0.453 246 Y N -0.022 120.270 120.300 -0.014 0.000 2.337 246 Y HA 0.033 4.584 4.550 0.002 0.000 0.293 246 Y C 2.281 178.187 175.900 0.011 0.000 1.123 246 Y CA 0.888 58.975 58.100 -0.022 0.000 1.201 246 Y CB -0.073 38.344 38.460 -0.071 0.000 1.011 246 Y HN 0.063 nan 8.280 nan 0.000 0.545 247 M N -0.743 118.963 119.600 0.177 0.000 2.213 247 M HA -0.260 4.221 4.480 0.002 0.000 0.263 247 M C 1.895 178.288 176.300 0.155 0.000 1.062 247 M CA 1.645 57.059 55.300 0.190 0.000 1.105 247 M CB -0.251 32.470 32.600 0.201 0.000 1.385 247 M HN 0.245 nan 8.290 nan 0.000 0.417 248 Q N 0.201 120.056 119.800 0.092 0.000 2.083 248 Q HA -0.089 4.252 4.340 0.002 0.000 0.198 248 Q C 1.956 177.983 176.000 0.045 0.000 0.969 248 Q CA 1.344 57.176 55.803 0.048 0.000 0.838 248 Q CB 0.140 28.883 28.738 0.009 0.000 0.900 248 Q HN 0.385 nan 8.270 nan 0.000 0.436 249 K N -0.375 120.053 120.400 0.046 0.000 2.002 249 K HA -0.120 4.201 4.320 0.002 0.000 0.209 249 K C 2.038 178.692 176.600 0.091 0.000 1.048 249 K CA 1.485 57.806 56.287 0.058 0.000 0.930 249 K CB -0.231 32.316 32.500 0.080 0.000 0.714 249 K HN 0.026 nan 8.250 nan 0.000 0.438 250 V N 1.545 121.537 119.914 0.130 0.000 2.392 250 V HA -0.284 3.837 4.120 0.002 0.000 0.249 250 V C 2.337 178.499 176.094 0.113 0.000 1.059 250 V CA 2.084 64.461 62.300 0.129 0.000 1.051 250 V CB -0.731 31.182 31.823 0.149 0.000 0.658 250 V HN 0.391 nan 8.190 nan 0.000 0.455 251 A N -0.708 122.172 122.820 0.100 0.000 1.972 251 A HA -0.225 4.096 4.320 0.002 0.000 0.219 251 A C 2.549 180.155 177.584 0.037 0.000 1.169 251 A CA 2.018 54.087 52.037 0.053 0.000 0.635 251 A CB -0.701 18.309 19.000 0.017 0.000 0.810 251 A HN 0.513 nan 8.150 nan 0.000 0.446 252 S N -0.367 115.357 115.700 0.041 0.000 2.370 252 S HA -0.124 4.347 4.470 0.002 0.000 0.226 252 S C 1.817 176.437 174.600 0.034 0.000 1.033 252 S CA 1.670 59.887 58.200 0.029 0.000 1.011 252 S CB -0.426 62.790 63.200 0.026 0.000 0.852 252 S HN 0.507 nan 8.310 nan 0.000 0.457 253 L N 0.718 121.970 121.223 0.049 0.000 2.270 253 L HA 0.086 4.427 4.340 0.002 0.000 0.210 253 L C 2.814 179.715 176.870 0.053 0.000 1.104 253 L CA 1.314 56.184 54.840 0.050 0.000 0.804 253 L CB -0.600 41.497 42.059 0.064 0.000 0.937 253 L HN 0.508 nan 8.230 nan 0.000 0.450 254 T N -4.500 110.091 114.554 0.062 0.000 3.033 254 T HA 0.262 4.613 4.350 0.002 0.000 0.248 254 T C 1.594 176.314 174.700 0.033 0.000 1.040 254 T CA 0.735 62.871 62.100 0.060 0.000 1.133 254 T CB 0.709 69.637 68.868 0.101 0.000 0.895 254 T HN 0.357 nan 8.240 nan 0.000 0.465 255 G N 1.665 110.475 108.800 0.017 0.000 2.213 255 G HA2 -0.205 3.757 3.960 0.002 0.000 0.236 255 G HA3 -0.205 3.757 3.960 0.002 0.000 0.236 255 G C 0.210 175.085 174.900 -0.041 0.000 0.991 255 G CA -0.180 44.917 45.100 -0.005 0.000 0.629 255 G HN 0.668 nan 8.290 nan 0.000 0.517 256 R N 1.243 121.713 120.500 -0.049 0.000 2.204 256 R HA 0.550 4.891 4.340 0.002 0.000 0.341 256 R C -0.341 175.756 176.300 -0.339 0.000 1.035 256 R CA -0.058 55.941 56.100 -0.168 0.000 0.887 256 R CB 1.234 31.500 30.300 -0.057 0.000 1.114 256 R HN 0.156 nan 8.270 nan 0.000 0.473 257 S N 2.367 117.818 115.700 -0.416 0.000 2.541 257 S HA 0.494 4.965 4.470 0.002 0.000 0.283 257 S C -1.095 173.140 174.600 -0.608 0.000 1.196 257 S CA -0.313 57.666 58.200 -0.367 0.000 1.062 257 S CB 0.537 63.641 63.200 -0.159 0.000 1.009 257 S HN 0.312 nan 8.310 nan 0.000 0.502 258 Y N 1.058 121.383 120.300 0.042 0.000 2.581 258 Y HA 0.567 5.118 4.550 0.002 0.000 0.345 258 Y C 0.197 176.124 175.900 0.045 0.000 1.036 258 Y CA -0.968 57.157 58.100 0.042 0.000 1.042 258 Y CB 1.578 40.060 38.460 0.036 0.000 1.289 258 Y HN 0.434 nan 8.280 nan 0.000 0.471 259 K N 0.699 121.238 120.400 0.231 0.000 2.443 259 K HA 0.365 4.686 4.320 0.002 0.000 0.251 259 K C -0.089 176.593 176.600 0.136 0.000 0.972 259 K CA -0.829 55.553 56.287 0.159 0.000 0.833 259 K CB 2.141 34.725 32.500 0.141 0.000 1.317 259 K HN 0.371 nan 8.250 nan 0.000 0.441 260 L N 0.926 122.221 121.223 0.120 0.000 2.043 260 L HA -0.065 4.276 4.340 0.002 0.000 0.212 260 L C 0.185 176.997 176.870 -0.097 0.000 1.075 260 L CA 1.841 56.707 54.840 0.044 0.000 0.752 260 L CB -0.382 41.765 42.059 0.147 0.000 0.891 260 L HN 0.427 nan 8.230 nan 0.000 0.432 261 F N -1.613 118.357 119.950 0.034 0.000 2.569 261 F HA 0.402 4.930 4.527 0.002 0.000 0.312 261 F C -0.203 175.628 175.800 0.051 0.000 1.109 261 F CA -1.311 56.712 58.000 0.038 0.000 0.919 261 F CB 1.633 40.619 39.000 -0.023 0.000 1.211 261 F HN -0.259 nan 8.300 nan 0.000 0.446 262 D N 1.601 122.154 120.400 0.255 0.000 2.649 262 D HA 0.166 4.807 4.640 0.002 0.000 0.249 262 D C -1.499 174.928 176.300 0.212 0.000 1.112 262 D CA -0.363 53.757 54.000 0.201 0.000 0.850 262 D CB 2.581 43.481 40.800 0.166 0.000 1.399 262 D HN 0.416 nan 8.370 nan 0.000 0.503 263 Y N 1.832 122.172 120.300 0.066 0.000 2.310 263 Y HA 0.453 5.004 4.550 0.002 0.000 0.326 263 Y C -0.727 175.212 175.900 0.066 0.000 1.151 263 Y CA -0.126 58.008 58.100 0.057 0.000 1.195 263 Y CB 0.957 39.433 38.460 0.027 0.000 1.210 263 Y HN 0.076 nan 8.280 nan 0.000 0.483 264 V N 4.564 124.046 119.914 -0.720 0.000 2.888 264 V HA 0.846 4.967 4.120 0.002 0.000 0.309 264 V C 0.019 175.666 176.094 -0.745 0.000 1.114 264 V CA -0.131 61.889 62.300 -0.467 0.000 0.940 264 V CB 1.364 33.073 31.823 -0.190 0.000 1.021 264 V HN 1.205 nan 8.190 nan 0.000 0.426 265 G N 2.731 111.314 108.800 -0.362 0.000 2.409 265 G HA2 0.437 4.398 3.960 0.002 0.000 0.421 265 G HA3 0.437 4.398 3.960 0.002 0.000 0.421 265 G C -0.187 174.723 174.900 0.017 0.000 1.259 265 G CA -0.040 44.940 45.100 -0.200 0.000 1.011 265 G HN 1.756 nan 8.290 nan 0.000 0.497 266 A N 0.347 123.233 122.820 0.110 0.000 2.477 266 A HA 0.636 4.958 4.320 0.002 0.000 0.246 266 A C -0.606 177.145 177.584 0.278 0.000 1.078 266 A CA 0.246 52.380 52.037 0.163 0.000 0.770 266 A CB 0.271 19.332 19.000 0.102 0.000 1.011 266 A HN 0.452 nan 8.150 nan 0.000 0.494 267 P HA -0.084 nan 4.420 nan 0.000 0.221 267 P C 0.201 177.540 177.300 0.064 0.000 1.150 267 P CA 1.498 64.672 63.100 0.124 0.000 0.800 267 P CB 0.176 31.924 31.700 0.080 0.000 0.787 268 D N -1.671 118.774 120.400 0.074 0.000 2.643 268 D HA 0.226 4.867 4.640 0.002 0.000 0.244 268 D C 0.064 176.407 176.300 0.072 0.000 1.257 268 D CA -0.746 53.286 54.000 0.053 0.000 0.831 268 D CB -0.703 40.121 40.800 0.040 0.000 1.043 268 D HN -0.068 nan 8.370 nan 0.000 0.488 269 A N 0.453 123.342 122.820 0.115 0.000 2.498 269 A HA 0.186 4.507 4.320 0.002 0.000 0.239 269 A C 0.936 178.589 177.584 0.114 0.000 1.068 269 A CA -0.128 51.989 52.037 0.134 0.000 0.766 269 A CB 0.456 19.598 19.000 0.237 0.000 1.003 269 A HN 0.260 nan 8.150 nan 0.000 0.497 270 E N 0.836 121.097 120.200 0.102 0.000 2.340 270 E HA 0.028 4.379 4.350 0.002 0.000 0.198 270 E C -0.053 176.622 176.600 0.125 0.000 0.961 270 E CA 0.351 56.808 56.400 0.095 0.000 0.905 270 E CB 0.305 30.048 29.700 0.070 0.000 0.884 270 E HN 0.658 nan 8.360 nan 0.000 0.491 271 R N 1.473 122.068 120.500 0.159 0.000 2.320 271 R HA 0.396 4.738 4.340 0.002 0.000 0.319 271 R C -1.051 175.434 176.300 0.309 0.000 0.969 271 R CA -0.332 55.900 56.100 0.219 0.000 0.857 271 R CB 2.006 32.457 30.300 0.252 0.000 1.160 271 R HN -0.134 nan 8.270 nan 0.000 0.491 272 V N 4.524 124.612 119.914 0.290 0.000 2.769 272 V HA 0.529 4.651 4.120 0.002 0.000 0.312 272 V C 0.213 176.477 176.094 0.283 0.000 1.058 272 V CA -0.822 61.683 62.300 0.341 0.000 0.952 272 V CB 2.322 34.353 31.823 0.346 0.000 1.019 272 V HN 0.630 nan 8.190 nan 0.000 0.445 273 I N 2.258 122.985 120.570 0.262 0.000 2.569 273 I HA 0.497 4.668 4.170 0.002 0.000 0.296 273 I C -1.047 175.203 176.117 0.221 0.000 1.028 273 I CA -0.829 60.568 61.300 0.162 0.000 1.082 273 I CB 2.401 40.417 38.000 0.027 0.000 1.264 273 I HN 0.271 nan 8.210 nan 0.000 0.429 274 V N 4.963 125.019 119.914 0.237 0.000 2.357 274 V HA 0.427 4.548 4.120 0.002 0.000 0.284 274 V C -0.102 176.134 176.094 0.236 0.000 1.018 274 V CA -0.155 62.330 62.300 0.309 0.000 0.841 274 V CB 1.379 33.458 31.823 0.427 0.000 0.991 274 V HN 0.774 nan 8.190 nan 0.000 0.437 275 S N 4.723 120.553 115.700 0.216 0.000 2.740 275 S HA 0.924 5.395 4.470 0.002 0.000 0.300 275 S C -0.932 173.799 174.600 0.218 0.000 1.147 275 S CA -0.704 57.592 58.200 0.160 0.000 0.871 275 S CB 1.869 65.096 63.200 0.045 0.000 1.173 275 S HN 0.763 nan 8.310 nan 0.000 0.510 276 M N 1.585 121.329 119.600 0.240 0.000 2.325 276 M HA 0.571 5.053 4.480 0.002 0.000 0.285 276 M C -0.460 176.036 176.300 0.327 0.000 1.119 276 M CA 0.616 56.054 55.300 0.230 0.000 0.959 276 M CB 1.124 33.840 32.600 0.194 0.000 1.737 276 M HN 1.165 nan 8.290 nan 0.000 0.486 277 G N 1.989 110.920 108.800 0.218 0.000 2.582 277 G HA2 -0.200 3.761 3.960 0.002 0.000 0.222 277 G HA3 -0.200 3.761 3.960 0.002 0.000 0.222 277 G C 0.130 175.170 174.900 0.234 0.000 1.311 277 G CA 0.047 45.321 45.100 0.291 0.000 0.915 277 G HN 1.449 nan 8.290 nan 0.000 0.528 278 S N -0.466 115.381 115.700 0.245 0.000 2.547 278 S HA 0.016 4.487 4.470 0.002 0.000 0.235 278 S C 2.343 177.085 174.600 0.236 0.000 0.980 278 S CA 1.841 60.169 58.200 0.214 0.000 0.941 278 S CB -0.374 62.946 63.200 0.201 0.000 0.763 278 S HN 1.800 nan 8.310 nan 0.000 0.532 279 S N 1.456 117.312 115.700 0.259 0.000 2.382 279 S HA -0.149 4.322 4.470 0.002 0.000 0.228 279 S C 1.990 176.746 174.600 0.260 0.000 1.027 279 S CA 1.010 59.386 58.200 0.292 0.000 0.991 279 S CB -1.357 61.751 63.200 -0.152 0.000 0.823 279 S HN 0.712 nan 8.310 nan 0.000 0.469 280 C N 2.301 121.710 119.300 0.183 0.000 2.391 280 C HA -0.091 4.371 4.460 0.002 0.000 0.276 280 C C 2.923 178.002 174.990 0.148 0.000 1.217 280 C CA 0.864 59.975 59.018 0.156 0.000 1.766 280 C CB -1.226 26.596 27.740 0.137 0.000 2.046 280 C HN 0.554 nan 8.230 nan 0.000 0.475 281 E N 0.524 120.812 120.200 0.148 0.000 2.038 281 E HA -0.161 4.190 4.350 0.002 0.000 0.195 281 E C 2.209 178.891 176.600 0.137 0.000 1.000 281 E CA 1.837 58.311 56.400 0.123 0.000 0.803 281 E CB -1.075 28.691 29.700 0.110 0.000 0.750 281 E HN 0.592 nan 8.360 nan 0.000 0.448 282 T N 1.744 116.406 114.554 0.180 0.000 2.788 282 T HA -0.073 4.278 4.350 0.002 0.000 0.268 282 T C 2.126 176.881 174.700 0.092 0.000 1.044 282 T CA 0.892 63.097 62.100 0.175 0.000 1.139 282 T CB -0.224 68.747 68.868 0.171 0.000 0.867 282 T HN 0.095 nan 8.240 nan 0.000 0.454 283 I N 0.836 121.483 120.570 0.129 0.000 2.226 283 I HA -0.152 4.019 4.170 0.002 0.000 0.245 283 I C 2.663 178.859 176.117 0.131 0.000 1.100 283 I CA 1.335 62.714 61.300 0.132 0.000 1.374 283 I CB -0.330 37.781 38.000 0.185 0.000 1.057 283 I HN 0.304 nan 8.210 nan 0.000 0.413 284 E N 1.270 121.536 120.200 0.109 0.000 2.077 284 E HA -0.308 4.043 4.350 0.002 0.000 0.193 284 E C 2.118 178.763 176.600 0.075 0.000 0.989 284 E CA 1.510 57.955 56.400 0.075 0.000 0.800 284 E CB -0.044 29.690 29.700 0.057 0.000 0.746 284 E HN 0.472 nan 8.360 nan 0.000 0.452 285 E N -0.320 119.933 120.200 0.090 0.000 2.153 285 E HA -0.172 4.179 4.350 0.002 0.000 0.194 285 E C 1.878 178.544 176.600 0.111 0.000 0.988 285 E CA 1.367 57.825 56.400 0.097 0.000 0.811 285 E CB 0.180 29.959 29.700 0.131 0.000 0.746 285 E HN 0.208 nan 8.360 nan 0.000 0.466 286 V N 0.984 120.964 119.914 0.110 0.000 2.649 286 V HA -0.164 3.957 4.120 0.002 0.000 0.248 286 V C 2.310 178.488 176.094 0.139 0.000 1.054 286 V CA 0.981 63.366 62.300 0.140 0.000 1.073 286 V CB -0.272 31.620 31.823 0.114 0.000 0.699 286 V HN 0.345 nan 8.190 nan 0.000 0.463 287 I N 0.971 121.599 120.570 0.096 0.000 2.118 287 I HA -0.339 3.832 4.170 0.002 0.000 0.241 287 I C 2.276 178.415 176.117 0.037 0.000 1.070 287 I CA 2.279 63.597 61.300 0.029 0.000 1.327 287 I CB -0.589 37.428 38.000 0.029 0.000 1.034 287 I HN 0.474 nan 8.210 nan 0.000 0.405 288 N N -0.467 118.268 118.700 0.059 0.000 2.036 288 N HA -0.286 4.456 4.740 0.002 0.000 0.195 288 N C 2.009 177.564 175.510 0.074 0.000 1.037 288 N CA 1.333 54.415 53.050 0.052 0.000 0.855 288 N CB -0.375 38.144 38.487 0.053 0.000 1.033 288 N HN 0.427 nan 8.380 nan 0.000 0.423 289 H N 1.273 120.351 119.070 0.014 0.000 2.254 289 H HA -0.128 4.429 4.556 0.002 0.000 0.294 289 H C 2.046 177.375 175.328 0.002 0.000 1.071 289 H CA 1.598 57.649 56.048 0.006 0.000 1.228 289 H CB -0.354 29.419 29.762 0.018 0.000 1.358 289 H HN 0.068 nan 8.280 nan 0.000 0.495 290 L N 1.141 122.504 121.223 0.233 0.000 2.043 290 L HA -0.163 4.178 4.340 0.002 0.000 0.212 290 L C 3.114 179.973 176.870 -0.019 0.000 1.075 290 L CA 1.946 56.851 54.840 0.108 0.000 0.752 290 L CB -1.433 40.665 42.059 0.064 0.000 0.891 290 L HN 0.439 nan 8.230 nan 0.000 0.432 291 A N -0.998 121.807 122.820 -0.025 0.000 1.930 291 A HA -0.096 4.225 4.320 0.002 0.000 0.217 291 A C 2.438 179.998 177.584 -0.040 0.000 1.175 291 A CA 1.492 53.508 52.037 -0.035 0.000 0.627 291 A CB -0.819 18.167 19.000 -0.024 0.000 0.815 291 A HN 0.392 nan 8.150 nan 0.000 0.443 292 A N -0.375 122.411 122.820 -0.056 0.000 2.076 292 A HA -0.130 4.191 4.320 0.002 0.000 0.220 292 A C 1.893 179.428 177.584 -0.081 0.000 1.160 292 A CA 1.602 53.597 52.037 -0.070 0.000 0.653 292 A CB -0.329 18.612 19.000 -0.098 0.000 0.801 292 A HN 0.515 nan 8.150 nan 0.000 0.455 293 K N -1.569 118.775 120.400 -0.093 0.000 2.417 293 K HA 0.249 4.570 4.320 0.002 0.000 0.196 293 K C 0.972 177.547 176.600 -0.042 0.000 1.023 293 K CA 0.460 56.700 56.287 -0.078 0.000 1.122 293 K CB 0.092 32.539 32.500 -0.088 0.000 0.850 293 K HN 0.618 nan 8.250 nan 0.000 0.521 294 G N 1.656 110.436 108.800 -0.034 0.000 2.175 294 G HA2 -0.250 3.711 3.960 0.002 0.000 0.244 294 G HA3 -0.250 3.711 3.960 0.002 0.000 0.244 294 G C -0.237 174.653 174.900 -0.017 0.000 0.982 294 G CA -0.280 44.809 45.100 -0.019 0.000 0.641 294 G HN 0.367 nan 8.290 nan 0.000 0.527 295 E N 0.775 120.958 120.200 -0.028 0.000 2.338 295 E HA 0.299 4.650 4.350 0.002 0.000 0.272 295 E C 0.138 176.716 176.600 -0.036 0.000 1.029 295 E CA -0.322 56.055 56.400 -0.039 0.000 0.872 295 E CB 0.424 30.082 29.700 -0.070 0.000 1.015 295 E HN 0.015 nan 8.360 nan 0.000 0.417 296 K N 4.489 124.878 120.400 -0.017 0.000 2.333 296 K HA 0.244 4.565 4.320 0.002 0.000 0.241 296 K C -0.005 176.606 176.600 0.018 0.000 1.193 296 K CA -0.028 56.268 56.287 0.015 0.000 1.142 296 K CB -0.807 31.714 32.500 0.035 0.000 1.731 296 K HN 0.457 nan 8.250 nan 0.000 0.344 297 I N -2.986 117.566 120.570 -0.029 0.000 2.740 297 I HA 0.825 4.997 4.170 0.002 0.000 0.303 297 I C -0.040 176.121 176.117 0.073 0.000 1.044 297 I CA -1.014 60.261 61.300 -0.042 0.000 1.064 297 I CB 2.463 40.175 38.000 -0.480 0.000 1.249 297 I HN 0.201 nan 8.210 nan 0.000 0.433 298 G N 3.493 112.426 108.800 0.222 0.000 2.921 298 G HA2 0.734 4.695 3.960 0.002 0.000 0.291 298 G HA3 0.734 4.695 3.960 0.002 0.000 0.291 298 G C -1.965 173.035 174.900 0.168 0.000 1.370 298 G CA -0.756 44.437 45.100 0.156 0.000 0.847 298 G HN 0.769 nan 8.290 nan 0.000 0.532 299 L N -0.794 120.377 121.223 -0.086 0.000 2.549 299 L HA 0.706 5.047 4.340 0.002 0.000 0.259 299 L C -1.692 175.222 176.870 0.074 0.000 0.934 299 L CA -0.565 54.313 54.840 0.063 0.000 0.865 299 L CB 1.891 43.982 42.059 0.053 0.000 1.352 299 L HN 0.495 nan 8.230 nan 0.000 0.410 300 I N 4.215 124.923 120.570 0.231 0.000 2.354 300 I HA 0.390 4.561 4.170 0.002 0.000 0.286 300 I C -0.441 175.832 176.117 0.259 0.000 1.007 300 I CA -0.657 60.804 61.300 0.269 0.000 1.167 300 I CB 1.445 39.599 38.000 0.257 0.000 1.320 300 I HN 0.565 nan 8.210 nan 0.000 0.458 301 K N 5.864 126.392 120.400 0.213 0.000 2.258 301 K HA 0.378 4.699 4.320 0.002 0.000 0.284 301 K C -0.372 176.344 176.600 0.193 0.000 1.051 301 K CA -0.517 55.882 56.287 0.186 0.000 0.923 301 K CB 1.870 34.453 32.500 0.139 0.000 1.046 301 K HN 0.449 nan 8.250 nan 0.000 0.474 302 V N 2.184 122.202 119.914 0.174 0.000 2.546 302 V HA 0.328 4.449 4.120 0.002 0.000 0.284 302 V C 0.318 176.334 176.094 -0.129 0.000 1.050 302 V CA -0.132 62.158 62.300 -0.018 0.000 0.981 302 V CB 1.555 33.441 31.823 0.105 0.000 0.990 302 V HN 0.726 nan 8.190 nan 0.000 0.474 303 R N 3.676 124.001 120.500 -0.292 0.000 2.049 303 R HA 0.483 4.824 4.340 0.002 0.000 0.202 303 R C 0.313 176.497 176.300 -0.192 0.000 1.306 303 R CA 0.405 56.389 56.100 -0.193 0.000 1.107 303 R CB -0.426 29.796 30.300 -0.130 0.000 0.996 303 R HN 0.700 nan 8.270 nan 0.000 0.469 304 L N 1.807 122.859 121.223 -0.286 0.000 2.288 304 L HA 0.207 4.549 4.340 0.002 0.000 0.283 304 L C 0.103 176.876 176.870 -0.162 0.000 1.072 304 L CA -0.121 54.628 54.840 -0.150 0.000 0.862 304 L CB 0.594 42.610 42.059 -0.071 0.000 1.245 304 L HN 0.257 nan 8.230 nan 0.000 0.432 305 Y N 4.358 124.622 120.300 -0.060 0.000 2.373 305 Y HA 0.218 4.769 4.550 0.002 0.000 0.293 305 Y C 0.291 176.342 175.900 0.251 0.000 1.129 305 Y CA 0.604 58.800 58.100 0.160 0.000 1.226 305 Y CB 0.199 38.791 38.460 0.220 0.000 1.000 305 Y HN 0.416 nan 8.280 nan 0.000 0.549 306 R N 0.053 120.535 120.500 -0.030 0.000 2.508 306 R HA 0.301 4.642 4.340 0.002 0.000 0.283 306 R C -3.088 173.176 176.300 -0.060 0.000 1.120 306 R CA -2.243 53.804 56.100 -0.088 0.000 0.958 306 R CB 1.348 31.566 30.300 -0.137 0.000 1.215 306 R HN -0.037 nan 8.270 nan 0.000 0.427 307 P HA 0.132 nan 4.420 nan 0.000 0.272 307 P C -0.547 176.831 177.300 0.129 0.000 1.223 307 P CA -0.216 62.931 63.100 0.079 0.000 0.784 307 P CB 0.401 32.177 31.700 0.126 0.000 0.923 308 F N 3.317 123.271 119.950 0.007 0.000 2.377 308 F HA 0.217 4.745 4.527 0.002 0.000 0.360 308 F C -0.343 175.544 175.800 0.146 0.000 1.147 308 F CA -0.453 57.612 58.000 0.108 0.000 1.170 308 F CB 0.106 39.111 39.000 0.009 0.000 1.339 308 F HN -0.070 nan 8.300 nan 0.000 0.552 309 V N 6.318 126.254 119.914 0.037 0.000 2.387 309 V HA 0.010 4.131 4.120 0.002 0.000 0.260 309 V C 1.094 177.112 176.094 -0.127 0.000 1.054 309 V CA 0.262 62.582 62.300 0.034 0.000 0.967 309 V CB 0.392 32.268 31.823 0.088 0.000 1.036 309 V HN 0.881 nan 8.190 nan 0.000 0.481 310 S N 3.432 119.124 115.700 -0.012 0.000 2.370 310 S HA -0.219 4.252 4.470 0.002 0.000 0.226 310 S C 1.935 176.556 174.600 0.035 0.000 1.033 310 S CA 1.831 60.025 58.200 -0.010 0.000 1.011 310 S CB -0.127 63.164 63.200 0.151 0.000 0.852 310 S HN 0.987 nan 8.310 nan 0.000 0.457 311 E N 1.482 121.730 120.200 0.079 0.000 2.114 311 E HA -0.228 4.123 4.350 0.002 0.000 0.199 311 E C 1.908 178.529 176.600 0.034 0.000 1.008 311 E CA 1.437 57.892 56.400 0.093 0.000 0.810 311 E CB -0.336 29.404 29.700 0.066 0.000 0.739 311 E HN 0.490 nan 8.360 nan 0.000 0.456 312 A N -0.080 122.722 122.820 -0.029 0.000 2.016 312 A HA -0.017 4.304 4.320 0.002 0.000 0.217 312 A C 1.908 179.323 177.584 -0.282 0.000 1.162 312 A CA 0.761 52.772 52.037 -0.044 0.000 0.662 312 A CB -0.697 18.369 19.000 0.110 0.000 0.812 312 A HN 0.519 nan 8.150 nan 0.000 0.450 313 F N 0.080 119.576 119.950 -0.757 0.000 2.051 313 F HA -0.155 4.373 4.527 0.002 0.000 0.296 313 F C 1.834 177.223 175.800 -0.684 0.000 1.122 313 F CA 1.754 59.034 58.000 -1.200 0.000 1.201 313 F CB -0.538 37.642 39.000 -1.368 0.000 0.978 313 F HN 0.210 nan 8.300 nan 0.000 0.472 314 F N 0.988 120.742 119.950 -0.327 0.000 2.126 314 F HA -0.110 4.418 4.527 0.002 0.000 0.299 314 F C 2.593 178.221 175.800 -0.287 0.000 1.096 314 F CA 1.251 59.071 58.000 -0.299 0.000 1.255 314 F CB -1.562 37.367 39.000 -0.118 0.000 0.997 314 F HN 0.078 nan 8.300 nan 0.000 0.479 315 A N -0.636 122.154 122.820 -0.050 0.000 2.272 315 A HA 0.178 4.499 4.320 0.002 0.000 0.213 315 A C 1.990 179.514 177.584 -0.101 0.000 1.183 315 A CA 1.382 53.389 52.037 -0.048 0.000 0.719 315 A CB -1.034 17.959 19.000 -0.012 0.000 0.771 315 A HN 0.304 nan 8.150 nan 0.000 0.484 316 A N -1.433 121.255 122.820 -0.219 0.000 2.456 316 A HA 0.453 4.775 4.320 0.002 0.000 0.237 316 A C 0.545 177.948 177.584 -0.302 0.000 1.217 316 A CA -0.168 51.764 52.037 -0.174 0.000 0.962 316 A CB 0.195 19.135 19.000 -0.099 0.000 1.079 316 A HN 0.465 nan 8.150 nan 0.000 0.536 317 L N 2.062 123.058 121.223 -0.380 0.000 2.257 317 L HA 0.457 4.798 4.340 0.002 0.000 0.290 317 L C -2.945 173.775 176.870 -0.250 0.000 1.044 317 L CA -1.666 52.986 54.840 -0.314 0.000 0.810 317 L CB 1.007 42.917 42.059 -0.248 0.000 1.193 317 L HN -0.046 nan 8.230 nan 0.000 0.425 318 P HA 0.036 nan 4.420 nan 0.000 0.266 318 P C 0.301 177.555 177.300 -0.076 0.000 1.193 318 P CA 0.127 63.058 63.100 -0.282 0.000 0.770 318 P CB 0.804 32.317 31.700 -0.311 0.000 0.836 319 A N 2.131 124.927 122.820 -0.041 0.000 2.121 319 A HA -0.105 4.216 4.320 0.002 0.000 0.218 319 A C 1.751 179.355 177.584 0.033 0.000 1.154 319 A CA 1.658 53.703 52.037 0.012 0.000 0.679 319 A CB -1.046 17.954 19.000 0.000 0.000 0.795 319 A HN 0.568 nan 8.150 nan 0.000 0.458 320 S N -0.447 115.267 115.700 0.023 0.000 2.593 320 S HA 0.483 4.954 4.470 0.002 0.000 0.217 320 S C 0.898 175.537 174.600 0.064 0.000 0.966 320 S CA 0.204 58.428 58.200 0.040 0.000 0.914 320 S CB -0.469 62.752 63.200 0.035 0.000 0.776 320 S HN 0.805 nan 8.310 nan 0.000 0.523 321 A N 1.925 124.794 122.820 0.082 0.000 2.537 321 A HA 0.254 4.575 4.320 0.002 0.000 0.260 321 A C 1.062 178.708 177.584 0.103 0.000 1.082 321 A CA -0.083 52.024 52.037 0.117 0.000 0.765 321 A CB 0.044 19.142 19.000 0.164 0.000 1.019 321 A HN 0.465 nan 8.150 nan 0.000 0.507 322 K N 1.319 121.771 120.400 0.087 0.000 2.354 322 K HA 0.303 4.624 4.320 0.002 0.000 0.194 322 K C -0.607 176.021 176.600 0.048 0.000 1.038 322 K CA 0.465 56.789 56.287 0.061 0.000 1.052 322 K CB 0.566 33.097 32.500 0.051 0.000 0.861 322 K HN 0.537 nan 8.250 nan 0.000 0.535 323 V N 1.567 121.522 119.914 0.068 0.000 2.969 323 V HA 0.393 4.515 4.120 0.002 0.000 0.304 323 V C -1.377 174.775 176.094 0.097 0.000 1.192 323 V CA -1.125 61.209 62.300 0.057 0.000 0.962 323 V CB 2.319 34.179 31.823 0.061 0.000 1.045 323 V HN 0.142 nan 8.190 nan 0.000 0.428 324 I N 2.443 123.066 120.570 0.088 0.000 2.571 324 I HA 0.784 4.955 4.170 0.002 0.000 0.289 324 I C -0.537 175.668 176.117 0.146 0.000 1.115 324 I CA -0.003 61.389 61.300 0.154 0.000 1.045 324 I CB 2.407 40.548 38.000 0.235 0.000 1.238 324 I HN 0.748 nan 8.210 nan 0.000 0.424 325 T N 5.838 120.479 114.554 0.145 0.000 2.779 325 T HA 0.643 4.994 4.350 0.002 0.000 0.280 325 T C -0.640 174.146 174.700 0.144 0.000 0.987 325 T CA -0.507 61.673 62.100 0.133 0.000 0.966 325 T CB 1.278 70.239 68.868 0.155 0.000 0.933 325 T HN 0.456 nan 8.240 nan 0.000 0.442 326 V N 6.024 126.025 119.914 0.145 0.000 2.348 326 V HA 0.368 4.489 4.120 0.002 0.000 0.270 326 V C -0.162 175.980 176.094 0.080 0.000 1.037 326 V CA -0.851 61.554 62.300 0.174 0.000 0.872 326 V CB 0.442 32.428 31.823 0.271 0.000 1.002 326 V HN 0.752 nan 8.190 nan 0.000 0.464 327 L N 5.020 126.285 121.223 0.070 0.000 2.290 327 L HA 0.477 4.818 4.340 0.002 0.000 0.284 327 L C 0.227 177.236 176.870 0.231 0.000 1.078 327 L CA 0.472 55.331 54.840 0.031 0.000 0.815 327 L CB 0.818 42.730 42.059 -0.245 0.000 1.162 327 L HN 0.579 nan 8.230 nan 0.000 0.435 328 D N 3.002 123.539 120.400 0.230 0.000 2.375 328 D HA 0.238 4.879 4.640 0.002 0.000 0.247 328 D C -0.072 176.249 176.300 0.036 0.000 1.061 328 D CA -0.463 53.669 54.000 0.221 0.000 0.834 328 D CB 1.916 42.769 40.800 0.088 0.000 1.247 328 D HN 0.332 nan 8.370 nan 0.000 0.489 329 R N 2.031 122.490 120.500 -0.068 0.000 4.306 329 R HA 0.210 4.551 4.340 0.002 0.000 0.266 329 R C -0.435 175.729 176.300 -0.227 0.000 1.624 329 R CA 0.089 55.846 56.100 -0.572 0.000 1.487 329 R CB 0.028 29.761 30.300 -0.944 0.000 1.441 329 R HN 0.393 nan 8.270 nan 0.000 0.750 330 T N -0.188 114.310 114.554 -0.092 0.000 2.663 330 T HA 0.275 4.626 4.350 0.002 0.000 0.305 330 T C -2.209 172.471 174.700 -0.034 0.000 1.660 330 T CA -0.866 61.232 62.100 -0.004 0.000 0.976 330 T CB 1.179 70.158 68.868 0.185 0.000 1.705 330 T HN 0.307 nan 8.240 nan 0.000 0.494 331 K N 1.934 122.322 120.400 -0.020 0.000 2.687 331 K HA 0.467 4.788 4.320 0.002 0.000 0.249 331 K C -1.318 175.270 176.600 -0.020 0.000 0.994 331 K CA -0.408 55.862 56.287 -0.029 0.000 0.913 331 K CB 1.184 33.668 32.500 -0.026 0.000 1.202 331 K HN 0.499 nan 8.250 nan 0.000 0.460 332 E N 5.308 125.488 120.200 -0.033 0.000 2.014 332 E HA 0.208 4.559 4.350 0.002 0.000 0.275 332 E C -2.209 174.376 176.600 -0.024 0.000 0.997 332 E CA -1.994 54.389 56.400 -0.029 0.000 0.804 332 E CB 0.755 30.427 29.700 -0.046 0.000 1.090 332 E HN 0.497 nan 8.360 nan 0.000 0.401 333 P HA -0.028 nan 4.420 nan 0.000 0.260 333 P C 0.810 178.099 177.300 -0.018 0.000 1.185 333 P CA 0.666 63.758 63.100 -0.014 0.000 0.763 333 P CB 0.514 32.214 31.700 -0.001 0.000 0.776 334 G N 1.919 110.702 108.800 -0.027 0.000 2.176 334 G HA2 -0.167 3.794 3.960 0.002 0.000 0.253 334 G HA3 -0.167 3.794 3.960 0.002 0.000 0.253 334 G C 0.476 175.359 174.900 -0.028 0.000 0.979 334 G CA 0.016 45.099 45.100 -0.027 0.000 0.641 334 G HN 0.861 nan 8.290 nan 0.000 0.530 335 A N 0.564 123.368 122.820 -0.026 0.000 2.272 335 A HA 0.775 5.096 4.320 0.002 0.000 0.275 335 A C -0.177 177.399 177.584 -0.012 0.000 1.096 335 A CA -0.287 51.741 52.037 -0.016 0.000 0.822 335 A CB 0.554 19.546 19.000 -0.014 0.000 1.088 335 A HN 0.242 nan 8.150 nan 0.000 0.495 336 P HA 0.272 nan 4.420 nan 0.000 0.257 336 P C 0.268 177.678 177.300 0.184 0.000 1.281 336 P CA 0.910 64.038 63.100 0.047 0.000 0.826 336 P CB 0.292 32.030 31.700 0.064 0.000 1.237 337 G N -0.493 108.415 108.800 0.180 0.000 2.340 337 G HA2 0.156 4.117 3.960 0.002 0.000 0.298 337 G HA3 0.156 4.117 3.960 0.002 0.000 0.298 337 G C -1.922 173.087 174.900 0.182 0.000 1.498 337 G CA -0.690 44.620 45.100 0.350 0.000 0.847 337 G HN -0.168 nan 8.290 nan 0.000 0.594 338 D N 0.654 121.147 120.400 0.155 0.000 2.383 338 D HA 0.353 4.994 4.640 0.002 0.000 0.248 338 D C -1.289 174.975 176.300 -0.060 0.000 1.170 338 D CA -1.257 52.735 54.000 -0.013 0.000 0.977 338 D CB 1.421 42.185 40.800 -0.059 0.000 1.120 338 D HN 0.021 nan 8.370 nan 0.000 0.481 339 P HA -0.163 nan 4.420 nan 0.000 0.213 339 P C 1.638 178.882 177.300 -0.094 0.000 1.170 339 P CA 0.687 63.619 63.100 -0.281 0.000 0.902 339 P CB 0.159 31.449 31.700 -0.683 0.000 0.789 340 L N -1.489 119.715 121.223 -0.031 0.000 1.989 340 L HA -0.209 4.132 4.340 0.002 0.000 0.211 340 L C 2.479 179.417 176.870 0.114 0.000 1.071 340 L CA 1.870 56.816 54.840 0.177 0.000 0.749 340 L CB -1.737 40.489 42.059 0.278 0.000 0.890 340 L HN -0.058 nan 8.230 nan 0.000 0.431 341 Y N -0.872 119.423 120.300 -0.008 0.000 2.165 341 Y HA -0.265 4.286 4.550 0.002 0.000 0.286 341 Y C 2.201 178.069 175.900 -0.053 0.000 1.155 341 Y CA 1.782 59.870 58.100 -0.019 0.000 1.164 341 Y CB -0.464 37.973 38.460 -0.038 0.000 0.978 341 Y HN 0.190 nan 8.280 nan 0.000 0.513 342 L N 0.767 121.862 121.223 -0.212 0.000 2.046 342 L HA -0.195 4.146 4.340 0.002 0.000 0.208 342 L C 1.948 178.609 176.870 -0.347 0.000 1.077 342 L CA 2.064 56.697 54.840 -0.345 0.000 0.747 342 L CB -1.258 40.692 42.059 -0.181 0.000 0.896 342 L HN 0.237 nan 8.230 nan 0.000 0.432 343 D N -1.226 118.961 120.400 -0.355 0.000 2.078 343 D HA -0.163 4.478 4.640 0.002 0.000 0.193 343 D C 2.334 178.287 176.300 -0.578 0.000 0.990 343 D CA 1.370 55.001 54.000 -0.614 0.000 0.827 343 D CB -0.308 39.871 40.800 -1.036 0.000 0.975 343 D HN 0.045 nan 8.370 nan 0.000 0.451 344 V N 0.561 120.218 119.914 -0.428 0.000 2.317 344 V HA -0.360 3.761 4.120 0.002 0.000 0.251 344 V C 2.593 178.587 176.094 -0.167 0.000 1.065 344 V CA 1.528 63.596 62.300 -0.386 0.000 1.049 344 V CB -0.702 31.036 31.823 -0.142 0.000 0.651 344 V HN 0.401 nan 8.190 nan 0.000 0.450 345 C N 0.639 119.846 119.300 -0.154 0.000 2.413 345 C HA -0.180 4.281 4.460 0.002 0.000 0.277 345 C C 3.309 178.292 174.990 -0.011 0.000 1.228 345 C CA 1.659 60.637 59.018 -0.066 0.000 1.731 345 C CB -1.255 26.294 27.740 -0.319 0.000 2.042 345 C HN 0.798 nan 8.230 nan 0.000 0.468 346 S N 1.570 117.199 115.700 -0.118 0.000 2.419 346 S HA -0.135 4.336 4.470 0.002 0.000 0.235 346 S C 1.819 176.413 174.600 -0.011 0.000 1.019 346 S CA 1.607 59.764 58.200 -0.072 0.000 0.982 346 S CB -0.436 62.690 63.200 -0.124 0.000 0.789 346 S HN 0.648 nan 8.310 nan 0.000 0.490 347 A N 1.008 123.801 122.820 -0.046 0.000 1.872 347 A HA 0.218 4.539 4.320 0.002 0.000 0.214 347 A C 1.872 179.566 177.584 0.183 0.000 1.187 347 A CA 1.104 53.153 52.037 0.020 0.000 0.614 347 A CB -1.075 17.762 19.000 -0.272 0.000 0.826 347 A HN 0.504 nan 8.150 nan 0.000 0.442 348 F N 0.128 120.216 119.950 0.229 0.000 2.161 348 F HA -0.195 4.334 4.527 0.002 0.000 0.300 348 F C 2.608 178.477 175.800 0.114 0.000 1.089 348 F CA 1.831 59.989 58.000 0.264 0.000 1.282 348 F CB -0.493 38.614 39.000 0.179 0.000 1.010 348 F HN 0.190 nan 8.300 nan 0.000 0.485 349 V N -1.139 118.915 119.914 0.234 0.000 2.346 349 V HA -0.182 3.939 4.120 0.002 0.000 0.244 349 V C 1.973 178.119 176.094 0.087 0.000 1.037 349 V CA 1.971 64.347 62.300 0.127 0.000 1.029 349 V CB -0.971 30.895 31.823 0.072 0.000 0.663 349 V HN 0.335 nan 8.190 nan 0.000 0.454 350 E N 0.271 120.519 120.200 0.079 0.000 2.267 350 E HA -0.236 4.115 4.350 0.002 0.000 0.197 350 E C 2.364 178.991 176.600 0.045 0.000 0.998 350 E CA 1.210 57.644 56.400 0.056 0.000 0.830 350 E CB -0.275 29.459 29.700 0.057 0.000 0.751 350 E HN 0.609 nan 8.360 nan 0.000 0.491 351 R N 0.109 120.638 120.500 0.048 0.000 2.119 351 R HA -0.033 4.308 4.340 0.002 0.000 0.222 351 R C 0.824 177.099 176.300 -0.042 0.000 1.088 351 R CA 1.058 57.126 56.100 -0.053 0.000 0.984 351 R CB -0.344 29.819 30.300 -0.228 0.000 0.884 351 R HN 0.280 nan 8.270 nan 0.000 0.447 352 G N 1.589 110.395 108.800 0.011 0.000 2.333 352 G HA2 -0.275 3.686 3.960 0.002 0.000 0.296 352 G HA3 -0.275 3.686 3.960 0.002 0.000 0.296 352 G C -0.282 174.617 174.900 -0.002 0.000 1.059 352 G CA 1.080 46.188 45.100 0.012 0.000 1.050 352 G HN 0.551 nan 8.290 nan 0.000 0.508 353 E N -0.700 119.505 120.200 0.008 0.000 4.495 353 E HA 0.661 5.012 4.350 0.002 0.000 0.141 353 E C 1.128 177.750 176.600 0.037 0.000 1.253 353 E CA -0.477 55.924 56.400 0.001 0.000 0.725 353 E CB -0.188 29.485 29.700 -0.044 0.000 2.233 353 E HN 0.918 nan 8.360 nan 0.000 0.524 354 A N 1.311 124.161 122.820 0.050 0.000 2.448 354 A HA 0.393 4.715 4.320 0.002 0.000 0.239 354 A C -0.134 177.531 177.584 0.135 0.000 1.080 354 A CA 0.560 52.648 52.037 0.084 0.000 0.779 354 A CB 0.195 19.256 19.000 0.103 0.000 1.026 354 A HN 0.378 nan 8.150 nan 0.000 0.499 355 M N 1.534 121.174 119.600 0.067 0.000 2.542 355 M HA 0.184 4.665 4.480 0.002 0.000 0.273 355 M C -2.181 174.053 176.300 -0.111 0.000 1.296 355 M CA -0.952 54.336 55.300 -0.021 0.000 0.631 355 M CB 0.799 33.400 32.600 0.001 0.000 1.747 355 M HN 0.437 nan 8.290 nan 0.000 0.378 356 P HA -0.162 nan 4.420 nan 0.000 0.228 356 P C -0.235 176.994 177.300 -0.119 0.000 1.143 356 P CA 1.066 64.093 63.100 -0.122 0.000 0.771 356 P CB -0.014 31.614 31.700 -0.119 0.000 0.764 357 K N -0.666 119.642 120.400 -0.152 0.000 6.451 357 K HA -0.159 4.163 4.320 0.002 0.000 0.695 357 K C -1.232 175.322 176.600 -0.077 0.000 1.739 357 K CA 0.300 56.540 56.287 -0.079 0.000 1.661 357 K CB -1.882 30.603 32.500 -0.026 0.000 1.886 357 K HN -0.005 nan 8.250 nan 0.000 0.334 358 I N 5.208 125.737 120.570 -0.068 0.000 2.331 358 I HA 0.365 4.536 4.170 0.002 0.000 0.292 358 I C -0.062 176.103 176.117 0.081 0.000 0.998 358 I CA -0.737 60.578 61.300 0.023 0.000 1.267 358 I CB 1.044 39.075 38.000 0.052 0.000 1.386 358 I HN 0.412 nan 8.210 nan 0.000 0.476 359 L N 5.868 127.118 121.223 0.045 0.000 2.334 359 L HA 0.827 5.168 4.340 0.002 0.000 0.273 359 L C -0.028 176.731 176.870 -0.184 0.000 1.013 359 L CA -0.546 54.262 54.840 -0.052 0.000 0.816 359 L CB 1.724 43.817 42.059 0.056 0.000 1.278 359 L HN 0.689 nan 8.230 nan 0.000 0.431 360 A N 1.093 123.592 122.820 -0.534 0.000 2.342 360 A HA 0.920 5.241 4.320 0.002 0.000 0.323 360 A C -0.229 176.970 177.584 -0.641 0.000 1.125 360 A CA -0.058 51.542 52.037 -0.729 0.000 0.785 360 A CB 1.339 19.406 19.000 -1.554 0.000 1.221 360 A HN 0.752 nan 8.150 nan 0.000 0.463 361 G N 0.479 108.889 108.800 -0.650 0.000 2.659 361 G HA2 0.625 4.586 3.960 0.002 0.000 0.296 361 G HA3 0.625 4.586 3.960 0.002 0.000 0.296 361 G C -1.022 173.540 174.900 -0.563 0.000 1.369 361 G CA -0.730 43.623 45.100 -1.245 0.000 0.937 361 G HN 0.913 nan 8.290 nan 0.000 0.485 362 R N -0.077 120.131 120.500 -0.486 0.000 2.621 362 R HA 0.735 5.076 4.340 0.002 0.000 0.292 362 R C -1.346 174.960 176.300 0.010 0.000 0.969 362 R CA -0.812 55.200 56.100 -0.145 0.000 0.887 362 R CB 1.602 31.811 30.300 -0.152 0.000 1.180 362 R HN 0.775 nan 8.270 nan 0.000 0.450 363 Y N 0.468 120.654 120.300 -0.189 0.000 2.677 363 Y HA 0.593 5.144 4.550 0.002 0.000 0.334 363 Y C 0.731 176.542 175.900 -0.148 0.000 1.154 363 Y CA -1.057 56.950 58.100 -0.155 0.000 1.070 363 Y CB 0.591 38.841 38.460 -0.349 0.000 1.294 363 Y HN 0.726 nan 8.280 nan 0.000 0.475 364 G N 0.535 109.223 108.800 -0.187 0.000 2.243 364 G HA2 -0.340 3.621 3.960 0.002 0.000 0.276 364 G HA3 -0.340 3.621 3.960 0.002 0.000 0.276 364 G C -0.105 174.645 174.900 -0.249 0.000 0.997 364 G CA 0.545 45.505 45.100 -0.233 0.000 0.693 364 G HN 0.708 nan 8.290 nan 0.000 0.529 365 L N 0.333 121.414 121.223 -0.237 0.000 2.628 365 L HA 0.379 4.721 4.340 0.002 0.000 0.292 365 L C 1.870 178.691 176.870 -0.082 0.000 1.250 365 L CA 2.049 56.796 54.840 -0.155 0.000 0.892 365 L CB -0.020 41.979 42.059 -0.101 0.000 1.138 365 L HN 1.321 nan 8.230 nan 0.000 0.502 366 G N 2.662 111.439 108.800 -0.039 0.000 2.233 366 G HA2 -0.335 3.627 3.960 0.002 0.000 0.270 366 G HA3 -0.335 3.627 3.960 0.002 0.000 0.270 366 G C 0.775 175.694 174.900 0.030 0.000 1.011 366 G CA 0.684 45.802 45.100 0.030 0.000 0.762 366 G HN 1.070 nan 8.290 nan 0.000 0.511 367 S N -2.607 113.105 115.700 0.019 0.000 3.576 367 S HA -0.204 4.267 4.470 0.002 0.000 0.294 367 S C 0.921 175.488 174.600 -0.054 0.000 1.224 367 S CA 1.719 59.931 58.200 0.020 0.000 0.866 367 S CB -0.821 62.429 63.200 0.084 0.000 1.017 367 S HN 1.438 nan 8.310 nan 0.000 0.597 368 K N 2.284 122.653 120.400 -0.051 0.000 2.380 368 K HA 0.192 4.513 4.320 0.002 0.000 0.267 368 K C 0.294 176.917 176.600 0.038 0.000 0.990 368 K CA 0.282 56.551 56.287 -0.029 0.000 0.946 368 K CB 0.415 32.906 32.500 -0.014 0.000 0.937 368 K HN 0.220 nan 8.250 nan 0.000 0.491 369 E N 2.025 122.253 120.200 0.047 0.000 2.392 369 E HA 0.009 4.361 4.350 0.002 0.000 0.264 369 E C -0.726 176.001 176.600 0.213 0.000 1.024 369 E CA 0.223 56.678 56.400 0.092 0.000 0.903 369 E CB 0.342 30.063 29.700 0.036 0.000 0.963 369 E HN 0.430 nan 8.360 nan 0.000 0.432 370 F N 2.891 122.875 119.950 0.055 0.000 2.523 370 F HA 0.109 4.637 4.527 0.002 0.000 0.322 370 F C 0.245 176.022 175.800 -0.038 0.000 1.361 370 F CA -0.658 57.376 58.000 0.056 0.000 1.151 370 F CB -0.098 39.001 39.000 0.165 0.000 1.391 370 F HN 0.215 nan 8.300 nan 0.000 0.566 371 S N 2.089 117.599 115.700 -0.317 0.000 2.640 371 S HA 0.428 4.899 4.470 0.002 0.000 0.262 371 S C -1.935 172.229 174.600 -0.727 0.000 1.232 371 S CA -0.842 57.027 58.200 -0.552 0.000 0.988 371 S CB 0.869 63.855 63.200 -0.358 0.000 1.034 371 S HN 0.250 nan 8.310 nan 0.000 0.569 372 P HA 0.098 nan 4.420 nan 0.000 0.216 372 P C 1.679 178.646 177.300 -0.556 0.000 1.153 372 P CA 1.670 64.470 63.100 -0.499 0.000 0.844 372 P CB -0.323 31.243 31.700 -0.224 0.000 0.787 373 A N -0.386 122.188 122.820 -0.410 0.000 1.917 373 A HA -0.263 4.058 4.320 0.002 0.000 0.219 373 A C 2.163 179.469 177.584 -0.463 0.000 1.182 373 A CA 2.249 53.994 52.037 -0.486 0.000 0.633 373 A CB -1.616 17.284 19.000 -0.167 0.000 0.819 373 A HN 0.119 nan 8.150 nan 0.000 0.448 374 M N -0.785 118.589 119.600 -0.377 0.000 2.159 374 M HA -0.136 4.345 4.480 0.002 0.000 0.263 374 M C 2.040 178.149 176.300 -0.318 0.000 1.063 374 M CA 1.438 56.572 55.300 -0.277 0.000 1.110 374 M CB -0.489 31.987 32.600 -0.206 0.000 1.374 374 M HN 0.264 nan 8.290 nan 0.000 0.411 375 V N 0.262 119.864 119.914 -0.520 0.000 2.453 375 V HA -0.209 3.912 4.120 0.002 0.000 0.247 375 V C 2.356 178.319 176.094 -0.218 0.000 1.048 375 V CA 1.638 63.711 62.300 -0.377 0.000 1.049 375 V CB -0.727 30.868 31.823 -0.379 0.000 0.672 375 V HN 0.366 nan 8.190 nan 0.000 0.457 376 K N 1.189 121.347 120.400 -0.404 0.000 2.063 376 K HA -0.187 4.135 4.320 0.002 0.000 0.208 376 K C 2.434 178.915 176.600 -0.200 0.000 1.048 376 K CA 2.116 58.162 56.287 -0.401 0.000 0.928 376 K CB -0.899 30.966 32.500 -1.057 0.000 0.713 376 K HN 0.402 nan 8.250 nan 0.000 0.442 377 S N -0.652 114.902 115.700 -0.243 0.000 2.382 377 S HA -0.079 4.392 4.470 0.002 0.000 0.228 377 S C 1.896 176.387 174.600 -0.182 0.000 1.027 377 S CA 1.310 59.404 58.200 -0.177 0.000 0.991 377 S CB -0.357 62.749 63.200 -0.157 0.000 0.823 377 S HN 0.139 nan 8.310 nan 0.000 0.469 378 V N 0.775 120.584 119.914 -0.174 0.000 2.295 378 V HA -0.130 3.991 4.120 0.002 0.000 0.246 378 V C 2.199 178.153 176.094 -0.232 0.000 1.049 378 V CA 1.945 64.119 62.300 -0.210 0.000 1.024 378 V CB -0.986 30.756 31.823 -0.135 0.000 0.648 378 V HN 0.523 nan 8.190 nan 0.000 0.447 379 Y N 0.764 121.016 120.300 -0.079 0.000 2.114 379 Y HA -0.193 4.358 4.550 0.002 0.000 0.284 379 Y C 2.525 178.383 175.900 -0.069 0.000 1.143 379 Y CA 1.588 59.655 58.100 -0.054 0.000 1.135 379 Y CB -0.739 37.692 38.460 -0.049 0.000 0.980 379 Y HN 0.289 nan 8.280 nan 0.000 0.499 380 D N -0.509 119.934 120.400 0.073 0.000 2.221 380 D HA -0.188 4.454 4.640 0.002 0.000 0.204 380 D C 1.848 178.126 176.300 -0.036 0.000 0.982 380 D CA 1.276 55.282 54.000 0.010 0.000 0.857 380 D CB -0.452 40.329 40.800 -0.031 0.000 0.934 380 D HN 0.342 nan 8.370 nan 0.000 0.475 381 N N -0.152 118.487 118.700 -0.102 0.000 2.171 381 N HA -0.056 4.686 4.740 0.002 0.000 0.184 381 N C 1.749 177.204 175.510 -0.091 0.000 1.021 381 N CA 0.717 53.671 53.050 -0.161 0.000 0.854 381 N CB -0.102 38.171 38.487 -0.357 0.000 0.994 381 N HN 0.044 nan 8.380 nan 0.000 0.426 382 M N -0.322 119.253 119.600 -0.043 0.000 2.202 382 M HA -0.133 4.348 4.480 0.002 0.000 0.262 382 M C 1.705 178.023 176.300 0.029 0.000 1.063 382 M CA 1.648 56.957 55.300 0.015 0.000 1.097 382 M CB -0.107 32.542 32.600 0.082 0.000 1.382 382 M HN 0.370 nan 8.290 nan 0.000 0.413 383 S N -1.513 114.207 115.700 0.032 0.000 2.486 383 S HA 0.172 4.643 4.470 0.002 0.000 0.220 383 S C 1.375 175.980 174.600 0.008 0.000 1.011 383 S CA 0.163 58.380 58.200 0.028 0.000 0.921 383 S CB -0.090 63.133 63.200 0.038 0.000 0.785 383 S HN 0.439 nan 8.310 nan 0.000 0.517 384 G N 1.426 110.221 108.800 -0.010 0.000 2.992 384 G HA2 0.521 4.482 3.960 0.002 0.000 0.195 384 G HA3 0.521 4.482 3.960 0.002 0.000 0.195 384 G C 1.487 176.374 174.900 -0.022 0.000 2.032 384 G CA 0.095 45.185 45.100 -0.016 0.000 0.831 384 G HN 0.529 nan 8.290 nan 0.000 0.647 385 A N -0.394 122.404 122.820 -0.037 0.000 1.940 385 A HA 0.049 4.370 4.320 0.002 0.000 0.219 385 A C 1.473 179.038 177.584 -0.032 0.000 1.176 385 A CA 2.176 54.193 52.037 -0.035 0.000 0.631 385 A CB -0.580 18.392 19.000 -0.047 0.000 0.814 385 A HN 0.612 nan 8.150 nan 0.000 0.446 386 K N -1.408 118.961 120.400 -0.051 0.000 3.125 386 K HA -0.165 4.156 4.320 0.002 0.000 0.268 386 K C -0.071 176.517 176.600 -0.021 0.000 1.078 386 K CA 0.927 57.193 56.287 -0.036 0.000 0.775 386 K CB -1.438 31.057 32.500 -0.008 0.000 1.253 386 K HN 0.691 nan 8.250 nan 0.000 0.486 387 K N 1.565 121.935 120.400 -0.049 0.000 2.447 387 K HA 0.015 4.337 4.320 0.002 0.000 0.281 387 K C 0.136 176.798 176.600 0.105 0.000 1.031 387 K CA -0.010 56.284 56.287 0.012 0.000 1.019 387 K CB 0.456 32.941 32.500 -0.025 0.000 0.918 387 K HN 0.119 nan 8.250 nan 0.000 0.476 388 N N 2.143 120.917 118.700 0.123 0.000 2.482 388 N HA 0.093 4.834 4.740 0.002 0.000 0.279 388 N C -1.089 174.530 175.510 0.182 0.000 1.182 388 N CA -0.069 53.037 53.050 0.094 0.000 0.969 388 N CB 0.407 38.895 38.487 0.002 0.000 1.201 388 N HN 0.700 nan 8.380 nan 0.000 0.523 389 H N -0.507 118.544 119.070 -0.033 0.000 2.496 389 H HA -0.208 4.349 4.556 0.002 0.000 0.323 389 H C -0.588 174.711 175.328 -0.050 0.000 1.054 389 H CA 1.130 57.090 56.048 -0.147 0.000 1.095 389 H CB -1.724 27.970 29.762 -0.114 0.000 1.595 389 H HN 0.366 nan 8.280 nan 0.000 0.388 390 F N -1.420 118.542 119.950 0.019 0.000 2.452 390 F HA 0.806 5.334 4.527 0.002 0.000 0.353 390 F C 0.471 176.284 175.800 0.023 0.000 1.089 390 F CA -0.583 57.428 58.000 0.019 0.000 1.080 390 F CB 0.993 39.994 39.000 0.001 0.000 1.399 390 F HN 0.054 nan 8.300 nan 0.000 0.492 391 T N -0.777 113.912 114.554 0.225 0.000 2.906 391 T HA 0.747 5.098 4.350 0.002 0.000 0.295 391 T C -1.177 173.703 174.700 0.299 0.000 1.061 391 T CA -0.823 61.350 62.100 0.121 0.000 1.000 391 T CB 1.473 70.384 68.868 0.072 0.000 1.103 391 T HN 0.857 nan 8.240 nan 0.000 0.486 392 V N -0.338 119.728 119.914 0.252 0.000 2.569 392 V HA 0.863 4.984 4.120 0.002 0.000 0.301 392 V C 0.915 177.132 176.094 0.204 0.000 1.044 392 V CA -0.200 62.260 62.300 0.268 0.000 0.874 392 V CB 0.509 32.551 31.823 0.365 0.000 1.002 392 V HN 1.555 nan 8.190 nan 0.000 0.424 393 G N 3.812 112.695 108.800 0.138 0.000 2.296 393 G HA2 -0.107 3.854 3.960 0.002 0.000 0.188 393 G HA3 -0.107 3.854 3.960 0.002 0.000 0.188 393 G C -0.124 174.819 174.900 0.072 0.000 1.000 393 G CA 0.056 45.220 45.100 0.107 0.000 0.672 393 G HN 1.329 nan 8.290 nan 0.000 0.483 394 I N -1.690 118.925 120.570 0.074 0.000 2.892 394 I HA 0.856 5.027 4.170 0.002 0.000 0.306 394 I C -0.596 175.559 176.117 0.064 0.000 1.078 394 I CA -1.356 59.982 61.300 0.063 0.000 1.032 394 I CB 2.282 40.314 38.000 0.053 0.000 1.229 394 I HN 0.033 nan 8.210 nan 0.000 0.435 395 E N 2.960 123.198 120.200 0.063 0.000 2.035 395 E HA 0.145 4.496 4.350 0.002 0.000 0.271 395 E C -1.283 175.352 176.600 0.058 0.000 0.953 395 E CA -0.509 55.923 56.400 0.053 0.000 0.777 395 E CB 0.810 30.535 29.700 0.042 0.000 1.104 395 E HN 0.643 nan 8.360 nan 0.000 0.408 396 D N 4.307 124.739 120.400 0.054 0.000 2.468 396 D HA 0.014 4.655 4.640 0.002 0.000 0.218 396 D C 0.044 176.367 176.300 0.039 0.000 1.155 396 D CA -0.500 53.530 54.000 0.050 0.000 0.924 396 D CB 0.751 41.581 40.800 0.050 0.000 1.029 396 D HN 0.481 nan 8.370 nan 0.000 0.515 397 D N 1.786 122.206 120.400 0.034 0.000 2.339 397 D HA -0.102 4.540 4.640 0.002 0.000 0.217 397 D C 1.695 178.005 176.300 0.017 0.000 1.050 397 D CA 0.233 54.245 54.000 0.021 0.000 0.856 397 D CB -0.104 40.703 40.800 0.012 0.000 0.922 397 D HN 0.293 nan 8.370 nan 0.000 0.518 398 V N -1.102 118.826 119.914 0.022 0.000 2.436 398 V HA 0.027 4.148 4.120 0.002 0.000 0.240 398 V C 1.848 177.951 176.094 0.014 0.000 1.040 398 V CA 1.581 63.891 62.300 0.016 0.000 1.052 398 V CB -0.564 31.270 31.823 0.017 0.000 0.707 398 V HN 0.157 nan 8.190 nan 0.000 0.469 399 T N -0.165 114.399 114.554 0.017 0.000 3.044 399 T HA 0.363 4.715 4.350 0.002 0.000 0.255 399 T C 1.493 176.206 174.700 0.021 0.000 1.073 399 T CA 0.742 62.851 62.100 0.015 0.000 1.125 399 T CB -0.152 68.722 68.868 0.011 0.000 0.908 399 T HN 1.590 nan 8.240 nan 0.000 0.480 400 G N 2.209 111.025 108.800 0.028 0.000 2.326 400 G HA2 -0.239 3.722 3.960 0.002 0.000 0.286 400 G HA3 -0.239 3.722 3.960 0.002 0.000 0.286 400 G C 0.572 175.500 174.900 0.047 0.000 1.096 400 G CA 0.542 45.661 45.100 0.033 0.000 1.003 400 G HN 0.726 nan 8.290 nan 0.000 0.503 401 T N -2.819 111.771 114.554 0.060 0.000 3.010 401 T HA 0.510 4.861 4.350 0.002 0.000 0.257 401 T C 1.381 176.164 174.700 0.139 0.000 1.020 401 T CA 0.939 63.095 62.100 0.093 0.000 0.938 401 T CB 0.366 69.280 68.868 0.075 0.000 1.049 401 T HN 1.570 nan 8.240 nan 0.000 0.522 402 S N 1.744 117.509 115.700 0.109 0.000 2.584 402 S HA 0.622 5.093 4.470 0.002 0.000 0.273 402 S C -0.227 174.431 174.600 0.098 0.000 1.311 402 S CA -0.893 57.384 58.200 0.129 0.000 1.034 402 S CB 0.651 63.907 63.200 0.092 0.000 0.939 402 S HN 0.150 nan 8.310 nan 0.000 0.513 403 L N 3.258 124.542 121.223 0.102 0.000 2.375 403 L HA 0.515 4.857 4.340 0.002 0.000 0.271 403 L C -1.770 175.096 176.870 -0.007 0.000 1.107 403 L CA -1.802 53.030 54.840 -0.014 0.000 0.806 403 L CB 0.252 42.256 42.059 -0.091 0.000 1.146 403 L HN 0.626 nan 8.230 nan 0.000 0.447 404 P HA 0.253 nan 4.420 nan 0.000 0.277 404 P C -1.366 175.912 177.300 -0.037 0.000 1.240 404 P CA -0.268 62.818 63.100 -0.023 0.000 0.798 404 P CB 1.458 33.141 31.700 -0.028 0.000 0.979 405 V N 1.575 121.473 119.914 -0.027 0.000 2.709 405 V HA 0.289 4.410 4.120 0.002 0.000 0.308 405 V C -0.442 175.633 176.094 -0.031 0.000 1.062 405 V CA -0.386 61.887 62.300 -0.044 0.000 0.901 405 V CB 1.883 33.683 31.823 -0.038 0.000 1.003 405 V HN 0.557 nan 8.190 nan 0.000 0.425 406 D N 2.819 123.195 120.400 -0.039 0.000 2.441 406 D HA 0.318 4.959 4.640 0.002 0.000 0.231 406 D C 0.604 176.918 176.300 0.023 0.000 1.073 406 D CA -0.341 53.658 54.000 -0.003 0.000 0.850 406 D CB 1.107 41.910 40.800 0.006 0.000 1.062 406 D HN 0.365 nan 8.370 nan 0.000 0.524 407 N N 2.441 121.158 118.700 0.028 0.000 2.494 407 N HA -0.017 4.725 4.740 0.002 0.000 0.182 407 N C 1.421 176.974 175.510 0.071 0.000 1.076 407 N CA 0.505 53.582 53.050 0.044 0.000 0.908 407 N CB 0.120 38.624 38.487 0.027 0.000 0.967 407 N HN 0.530 nan 8.380 nan 0.000 0.449 408 A N 0.217 123.080 122.820 0.071 0.000 2.172 408 A HA -0.053 4.268 4.320 0.002 0.000 0.216 408 A C 0.640 178.281 177.584 0.095 0.000 1.154 408 A CA -0.201 51.875 52.037 0.065 0.000 0.701 408 A CB -0.745 18.287 19.000 0.052 0.000 0.789 408 A HN 0.221 nan 8.150 nan 0.000 0.465 409 F N 1.108 121.033 119.950 -0.042 0.000 2.635 409 F HA 0.278 4.807 4.527 0.002 0.000 0.379 409 F C 1.022 176.780 175.800 -0.070 0.000 1.094 409 F CA -0.513 57.449 58.000 -0.063 0.000 1.300 409 F CB 0.145 39.082 39.000 -0.104 0.000 1.035 409 F HN 0.336 nan 8.300 nan 0.000 0.581 410 A N 4.880 127.297 122.820 -0.671 0.000 2.387 410 A HA 0.082 4.403 4.320 0.002 0.000 0.251 410 A C 0.129 177.397 177.584 -0.527 0.000 1.113 410 A CA -0.120 51.609 52.037 -0.512 0.000 0.794 410 A CB -0.092 18.644 19.000 -0.440 0.000 1.069 410 A HN 0.804 nan 8.150 nan 0.000 0.506 411 D N -0.886 119.357 120.400 -0.262 0.000 2.304 411 D HA 0.273 4.914 4.640 0.002 0.000 0.250 411 D C 0.744 176.933 176.300 -0.185 0.000 1.107 411 D CA 0.751 54.670 54.000 -0.135 0.000 0.885 411 D CB 0.990 41.777 40.800 -0.021 0.000 1.192 411 D HN 0.526 nan 8.370 nan 0.000 0.436 412 T N -0.940 113.547 114.554 -0.110 0.000 3.145 412 T HA 0.099 4.450 4.350 0.002 0.000 0.281 412 T C 0.848 175.592 174.700 0.073 0.000 1.003 412 T CA -0.391 61.662 62.100 -0.078 0.000 0.901 412 T CB -0.112 68.664 68.868 -0.153 0.000 1.112 412 T HN 0.398 nan 8.240 nan 0.000 0.535 413 T N 1.316 115.926 114.554 0.094 0.000 2.856 413 T HA 0.430 4.781 4.350 0.002 0.000 0.306 413 T C -2.465 172.276 174.700 0.068 0.000 1.062 413 T CA -1.088 61.064 62.100 0.086 0.000 1.083 413 T CB -0.005 68.905 68.868 0.069 0.000 0.984 413 T HN 0.011 nan 8.240 nan 0.000 0.542 414 P HA 0.140 nan 4.420 nan 0.000 0.270 414 P C 0.009 177.341 177.300 0.054 0.000 1.227 414 P CA -0.439 62.689 63.100 0.047 0.000 0.788 414 P CB 0.391 32.106 31.700 0.025 0.000 0.926 415 K N 1.049 121.479 120.400 0.050 0.000 2.401 415 K HA 0.284 4.605 4.320 0.002 0.000 0.278 415 K C 0.628 177.264 176.600 0.060 0.000 1.018 415 K CA 0.901 57.218 56.287 0.050 0.000 0.981 415 K CB -0.232 32.293 32.500 0.041 0.000 0.933 415 K HN 0.840 nan 8.250 nan 0.000 0.477 416 G N 2.510 111.348 108.800 0.063 0.000 2.401 416 G HA2 -0.189 3.772 3.960 0.002 0.000 0.283 416 G HA3 -0.189 3.772 3.960 0.002 0.000 0.283 416 G C -0.423 174.533 174.900 0.093 0.000 1.117 416 G CA -0.136 45.008 45.100 0.074 0.000 1.051 416 G HN 0.521 nan 8.290 nan 0.000 0.510 417 T N 0.411 115.021 114.554 0.093 0.000 2.937 417 T HA 0.559 4.910 4.350 0.002 0.000 0.297 417 T C 0.143 174.917 174.700 0.123 0.000 0.991 417 T CA -0.528 61.639 62.100 0.113 0.000 0.990 417 T CB 1.498 70.417 68.868 0.085 0.000 0.991 417 T HN 0.406 nan 8.240 nan 0.000 0.440 418 I N 3.078 123.751 120.570 0.171 0.000 2.395 418 I HA 0.304 4.475 4.170 0.002 0.000 0.289 418 I C 0.488 176.734 176.117 0.215 0.000 1.023 418 I CA -0.099 61.314 61.300 0.188 0.000 1.350 418 I CB 0.852 38.975 38.000 0.207 0.000 1.409 418 I HN 0.463 nan 8.210 nan 0.000 0.507 419 Q N 5.093 124.995 119.800 0.170 0.000 2.333 419 Q HA 0.626 4.968 4.340 0.002 0.000 0.267 419 Q C -1.415 174.681 176.000 0.160 0.000 1.012 419 Q CA -0.657 55.229 55.803 0.138 0.000 0.824 419 Q CB 2.258 31.052 28.738 0.092 0.000 1.290 419 Q HN 0.675 nan 8.270 nan 0.000 0.449 420 C N 1.622 121.017 119.300 0.157 0.000 2.779 420 C HA 0.639 5.100 4.460 0.002 0.000 0.314 420 C C -0.642 174.289 174.990 -0.099 0.000 1.231 420 C CA -0.741 58.329 59.018 0.086 0.000 1.652 420 C CB 1.818 29.688 27.740 0.217 0.000 2.198 420 C HN 0.797 nan 8.230 nan 0.000 0.483 421 Q N 0.364 119.969 119.800 -0.325 0.000 2.309 421 Q HA 0.641 4.982 4.340 0.002 0.000 0.273 421 Q C -1.905 173.820 176.000 -0.458 0.000 1.040 421 Q CA -0.297 55.279 55.803 -0.380 0.000 0.834 421 Q CB 2.328 30.895 28.738 -0.286 0.000 1.345 421 Q HN 0.635 nan 8.270 nan 0.000 0.414 422 F N 0.462 120.327 119.950 -0.142 0.000 2.547 422 F HA 0.518 5.046 4.527 0.002 0.000 0.316 422 F C -1.054 174.624 175.800 -0.204 0.000 1.121 422 F CA -0.620 57.326 58.000 -0.090 0.000 0.911 422 F CB 1.314 40.262 39.000 -0.086 0.000 1.179 422 F HN 0.426 nan 8.300 nan 0.000 0.443 423 W N 1.978 123.242 121.300 -0.060 0.000 2.376 423 W HA 0.690 5.351 4.660 0.002 0.000 0.312 423 W C 0.200 176.749 176.519 0.050 0.000 1.060 423 W CA -0.700 56.659 57.345 0.024 0.000 1.221 423 W CB 1.856 31.395 29.460 0.132 0.000 1.281 423 W HN 0.684 nan 8.180 nan 0.000 0.456 424 G N 2.040 111.029 108.800 0.315 0.000 2.725 424 G HA2 0.637 4.598 3.960 0.002 0.000 0.288 424 G HA3 0.637 4.598 3.960 0.002 0.000 0.288 424 G C -2.217 172.888 174.900 0.342 0.000 1.399 424 G CA -1.060 44.201 45.100 0.269 0.000 0.859 424 G HN 0.350 nan 8.290 nan 0.000 0.479 425 L N 0.565 121.922 121.223 0.223 0.000 2.360 425 L HA 0.752 5.093 4.340 0.002 0.000 0.271 425 L C 1.045 178.002 176.870 0.145 0.000 1.057 425 L CA -0.198 54.772 54.840 0.216 0.000 0.803 425 L CB 1.284 43.417 42.059 0.124 0.000 1.207 425 L HN 0.745 nan 8.230 nan 0.000 0.445 426 G N 2.996 111.878 108.800 0.137 0.000 2.380 426 G HA2 0.410 4.372 3.960 0.002 0.000 0.242 426 G HA3 0.410 4.372 3.960 0.002 0.000 0.242 426 G C 0.557 175.504 174.900 0.079 0.000 1.298 426 G CA 0.198 45.361 45.100 0.106 0.000 0.878 426 G HN 1.779 nan 8.290 nan 0.000 0.542 427 A N 1.785 124.643 122.820 0.062 0.000 2.872 427 A HA -0.158 4.164 4.320 0.002 0.000 0.273 427 A C 1.215 178.823 177.584 0.040 0.000 1.442 427 A CA 1.486 53.549 52.037 0.043 0.000 0.801 427 A CB -1.736 17.287 19.000 0.037 0.000 1.031 427 A HN 1.159 nan 8.150 nan 0.000 0.582 428 D N -1.781 118.649 120.400 0.050 0.000 2.398 428 D HA 0.396 5.037 4.640 0.002 0.000 0.210 428 D C 1.393 177.720 176.300 0.045 0.000 1.094 428 D CA 0.769 54.800 54.000 0.051 0.000 0.839 428 D CB -0.534 40.312 40.800 0.076 0.000 0.963 428 D HN 1.763 nan 8.370 nan 0.000 0.506 429 G N -0.036 108.780 108.800 0.027 0.000 2.162 429 G HA2 -0.394 3.567 3.960 0.002 0.000 0.260 429 G HA3 -0.394 3.567 3.960 0.002 0.000 0.260 429 G C 1.183 176.082 174.900 -0.002 0.000 0.976 429 G CA 0.876 45.979 45.100 0.005 0.000 0.655 429 G HN 0.357 nan 8.290 nan 0.000 0.533 430 T N 0.320 114.898 114.554 0.039 0.000 2.607 430 T HA -0.162 4.190 4.350 0.002 0.000 0.267 430 T C 2.521 177.157 174.700 -0.107 0.000 1.049 430 T CA 2.026 64.156 62.100 0.050 0.000 1.162 430 T CB -0.355 68.601 68.868 0.145 0.000 0.863 430 T HN 0.309 nan 8.240 nan 0.000 0.424 431 V N 1.222 121.027 119.914 -0.182 0.000 2.282 431 V HA -0.185 3.936 4.120 0.002 0.000 0.249 431 V C 2.780 178.655 176.094 -0.364 0.000 1.057 431 V CA 2.130 64.174 62.300 -0.427 0.000 1.032 431 V CB -1.402 30.073 31.823 -0.581 0.000 0.645 431 V HN 0.657 nan 8.190 nan 0.000 0.447 432 G N -0.502 108.171 108.800 -0.212 0.000 2.514 432 G HA2 -0.295 3.667 3.960 0.002 0.000 0.217 432 G HA3 -0.295 3.667 3.960 0.002 0.000 0.217 432 G C 1.817 176.657 174.900 -0.101 0.000 1.198 432 G CA 1.310 46.325 45.100 -0.143 0.000 0.780 432 G HN 0.646 nan 8.290 nan 0.000 0.565 433 A N 1.285 124.059 122.820 -0.076 0.000 1.927 433 A HA -0.221 4.100 4.320 0.002 0.000 0.220 433 A C 2.316 179.843 177.584 -0.095 0.000 1.185 433 A CA 2.295 54.305 52.037 -0.045 0.000 0.639 433 A CB -0.618 18.365 19.000 -0.029 0.000 0.820 433 A HN 0.400 nan 8.150 nan 0.000 0.451 434 N N 0.022 118.614 118.700 -0.179 0.000 2.043 434 N HA -0.151 4.590 4.740 0.002 0.000 0.193 434 N C 1.596 177.130 175.510 0.040 0.000 1.037 434 N CA 1.752 54.705 53.050 -0.162 0.000 0.851 434 N CB -0.436 38.077 38.487 0.043 0.000 1.027 434 N HN 0.605 nan 8.380 nan 0.000 0.422 435 K N 0.566 121.006 120.400 0.065 0.000 2.147 435 K HA -0.080 4.241 4.320 0.002 0.000 0.205 435 K C 1.993 178.638 176.600 0.075 0.000 1.049 435 K CA 0.772 57.121 56.287 0.103 0.000 0.936 435 K CB 0.045 32.553 32.500 0.014 0.000 0.722 435 K HN 0.212 nan 8.250 nan 0.000 0.446 436 Q N 0.282 120.111 119.800 0.048 0.000 2.020 436 Q HA -0.041 4.300 4.340 0.002 0.000 0.198 436 Q C 2.206 178.296 176.000 0.151 0.000 0.974 436 Q CA 1.488 57.339 55.803 0.081 0.000 0.829 436 Q CB -0.236 28.545 28.738 0.073 0.000 0.894 436 Q HN 0.310 nan 8.270 nan 0.000 0.433 437 A N 0.579 123.487 122.820 0.147 0.000 2.131 437 A HA -0.150 4.171 4.320 0.002 0.000 0.220 437 A C 1.980 179.683 177.584 0.198 0.000 1.158 437 A CA 0.997 53.139 52.037 0.174 0.000 0.665 437 A CB -0.586 18.297 19.000 -0.194 0.000 0.795 437 A HN 0.361 nan 8.150 nan 0.000 0.460 438 I N -1.789 118.898 120.570 0.195 0.000 2.494 438 I HA -0.113 4.058 4.170 0.002 0.000 0.250 438 I C 2.402 178.632 176.117 0.189 0.000 1.112 438 I CA 1.142 62.589 61.300 0.245 0.000 1.438 438 I CB -0.272 37.825 38.000 0.161 0.000 1.111 438 I HN 0.157 nan 8.210 nan 0.000 0.431 439 K N 1.495 121.979 120.400 0.140 0.000 2.026 439 K HA -0.110 4.212 4.320 0.002 0.000 0.208 439 K C 2.032 178.704 176.600 0.120 0.000 1.048 439 K CA 1.526 57.875 56.287 0.104 0.000 0.929 439 K CB -0.150 32.395 32.500 0.076 0.000 0.713 439 K HN 0.176 nan 8.250 nan 0.000 0.439 440 I N 0.475 121.143 120.570 0.163 0.000 2.127 440 I HA -0.338 3.833 4.170 0.002 0.000 0.241 440 I C 2.132 178.358 176.117 0.181 0.000 1.075 440 I CA 1.445 62.859 61.300 0.190 0.000 1.334 440 I CB -0.324 37.868 38.000 0.320 0.000 1.040 440 I HN 0.174 nan 8.210 nan 0.000 0.405 441 I N 0.564 121.253 120.570 0.200 0.000 2.072 441 I HA -0.206 3.965 4.170 0.002 0.000 0.235 441 I C 2.748 178.945 176.117 0.133 0.000 1.058 441 I CA 1.736 63.123 61.300 0.145 0.000 1.320 441 I CB -1.176 36.889 38.000 0.108 0.000 1.047 441 I HN 0.262 nan 8.210 nan 0.000 0.397 442 G N 0.476 109.375 108.800 0.164 0.000 2.507 442 G HA2 -0.279 3.682 3.960 0.002 0.000 0.221 442 G HA3 -0.279 3.682 3.960 0.002 0.000 0.221 442 G C 1.066 175.989 174.900 0.038 0.000 1.119 442 G CA 1.426 46.582 45.100 0.093 0.000 0.751 442 G HN 0.357 nan 8.290 nan 0.000 0.574 443 D N -0.321 120.108 120.400 0.049 0.000 2.333 443 D HA 0.046 4.687 4.640 0.002 0.000 0.208 443 D C 1.562 177.872 176.300 0.017 0.000 0.984 443 D CA 0.298 54.312 54.000 0.023 0.000 0.873 443 D CB 0.102 40.919 40.800 0.028 0.000 0.935 443 D HN 0.269 nan 8.370 nan 0.000 0.521 444 N N -0.084 118.634 118.700 0.031 0.000 2.197 444 N HA 0.047 4.788 4.740 0.002 0.000 0.228 444 N C -0.062 175.457 175.510 0.014 0.000 1.212 444 N CA 0.213 53.276 53.050 0.022 0.000 0.883 444 N CB 1.728 40.237 38.487 0.036 0.000 1.107 444 N HN 0.180 nan 8.380 nan 0.000 0.519 445 T N -1.907 112.652 114.554 0.008 0.000 2.816 445 T HA 0.257 4.609 4.350 0.002 0.000 0.299 445 T C -1.093 173.586 174.700 -0.033 0.000 1.230 445 T CA -0.719 61.379 62.100 -0.004 0.000 1.007 445 T CB 2.285 71.160 68.868 0.011 0.000 1.289 445 T HN -0.059 nan 8.240 nan 0.000 0.508 446 D N 1.035 121.400 120.400 -0.058 0.000 2.892 446 D HA 0.269 4.910 4.640 0.002 0.000 0.291 446 D C -0.134 176.039 176.300 -0.212 0.000 1.341 446 D CA -0.447 53.474 54.000 -0.133 0.000 0.844 446 D CB -0.468 40.260 40.800 -0.119 0.000 1.093 446 D HN 0.510 nan 8.370 nan 0.000 0.480 447 L N 0.164 121.310 121.223 -0.128 0.000 2.360 447 L HA 0.455 4.796 4.340 0.002 0.000 0.271 447 L C 0.025 176.826 176.870 -0.114 0.000 1.057 447 L CA -1.122 53.688 54.840 -0.051 0.000 0.803 447 L CB 0.941 43.070 42.059 0.116 0.000 1.207 447 L HN -0.094 nan 8.230 nan 0.000 0.445 448 F N 1.106 121.109 119.950 0.087 0.000 2.412 448 F HA 0.512 5.041 4.527 0.002 0.000 0.348 448 F C 0.609 176.429 175.800 0.033 0.000 1.102 448 F CA -0.297 57.733 58.000 0.051 0.000 1.196 448 F CB 1.093 40.108 39.000 0.024 0.000 1.144 448 F HN 0.385 nan 8.300 nan 0.000 0.541 449 A N 3.441 126.348 122.820 0.145 0.000 2.365 449 A HA 0.692 5.014 4.320 0.002 0.000 0.318 449 A C -1.039 176.469 177.584 -0.127 0.000 1.091 449 A CA -0.596 51.388 52.037 -0.089 0.000 0.763 449 A CB 1.707 20.721 19.000 0.023 0.000 1.248 449 A HN 0.737 nan 8.150 nan 0.000 0.442 450 Q N 0.879 120.499 119.800 -0.300 0.000 2.379 450 Q HA 0.618 4.960 4.340 0.002 0.000 0.278 450 Q C -0.912 174.948 176.000 -0.233 0.000 1.068 450 Q CA -0.648 55.049 55.803 -0.177 0.000 0.816 450 Q CB 2.423 31.073 28.738 -0.145 0.000 1.387 450 Q HN 1.151 nan 8.270 nan 0.000 0.413 451 G N 1.849 110.563 108.800 -0.143 0.000 2.740 451 G HA2 0.515 4.476 3.960 0.002 0.000 0.296 451 G HA3 0.515 4.476 3.960 0.002 0.000 0.296 451 G C -2.507 172.254 174.900 -0.231 0.000 1.439 451 G CA -0.220 44.721 45.100 -0.266 0.000 1.066 451 G HN 0.446 nan 8.290 nan 0.000 0.527 452 Y N 1.610 121.570 120.300 -0.566 0.000 2.457 452 Y HA 0.743 5.294 4.550 0.002 0.000 0.343 452 Y C -1.800 173.791 175.900 -0.515 0.000 0.994 452 Y CA -1.913 55.986 58.100 -0.335 0.000 1.031 452 Y CB 1.915 40.281 38.460 -0.156 0.000 1.246 452 Y HN 0.438 nan 8.280 nan 0.000 0.449 453 F N 3.263 122.936 119.950 -0.463 0.000 2.460 453 F HA 0.454 4.983 4.527 0.002 0.000 0.341 453 F C 0.279 175.788 175.800 -0.486 0.000 1.130 453 F CA -0.693 57.078 58.000 -0.382 0.000 0.962 453 F CB 1.930 40.715 39.000 -0.359 0.000 1.171 453 F HN 0.314 nan 8.300 nan 0.000 0.436 454 S N 2.657 118.247 115.700 -0.183 0.000 2.545 454 S HA 0.446 4.917 4.470 0.002 0.000 0.275 454 S C -0.520 173.949 174.600 -0.218 0.000 1.299 454 S CA -0.177 57.947 58.200 -0.127 0.000 1.048 454 S CB 0.523 63.676 63.200 -0.078 0.000 0.938 454 S HN 0.478 nan 8.310 nan 0.000 0.496 455 Y N 0.926 121.204 120.300 -0.037 0.000 3.042 455 Y HA 0.518 5.069 4.550 0.002 0.000 0.339 455 Y C 0.544 176.429 175.900 -0.024 0.000 1.299 455 Y CA -0.623 57.467 58.100 -0.016 0.000 1.059 455 Y CB 0.799 39.264 38.460 0.009 0.000 1.361 455 Y HN 0.468 nan 8.280 nan 0.000 0.755 456 D N -1.237 119.309 120.400 0.244 0.000 2.857 456 D HA 0.147 4.788 4.640 0.002 0.000 0.227 456 D C -0.236 176.137 176.300 0.123 0.000 1.192 456 D CA -0.074 54.005 54.000 0.132 0.000 0.857 456 D CB 2.538 43.407 40.800 0.115 0.000 1.645 456 D HN 0.424 nan 8.370 nan 0.000 0.482 457 S N 1.500 117.258 115.700 0.096 0.000 2.461 457 S HA -0.001 4.470 4.470 0.002 0.000 0.228 457 S C 0.578 175.233 174.600 0.091 0.000 1.005 457 S CA 0.479 58.729 58.200 0.084 0.000 0.942 457 S CB 0.110 63.352 63.200 0.070 0.000 0.776 457 S HN 0.260 nan 8.310 nan 0.000 0.514 458 K N 2.369 122.829 120.400 0.100 0.000 2.383 458 K HA 0.135 4.456 4.320 0.002 0.000 0.286 458 K C 0.680 177.341 176.600 0.103 0.000 1.051 458 K CA 0.080 56.431 56.287 0.106 0.000 0.974 458 K CB 0.841 33.405 32.500 0.107 0.000 0.968 458 K HN 0.266 nan 8.250 nan 0.000 0.475 459 K N 0.592 121.054 120.400 0.103 0.000 2.155 459 K HA -0.029 4.292 4.320 0.002 0.000 0.203 459 K C 0.803 177.451 176.600 0.080 0.000 1.052 459 K CA 0.747 57.089 56.287 0.091 0.000 0.948 459 K CB 0.203 32.764 32.500 0.102 0.000 0.728 459 K HN 0.260 nan 8.250 nan 0.000 0.448 460 S N -1.037 114.706 115.700 0.073 0.000 2.454 460 S HA 0.441 4.912 4.470 0.002 0.000 0.306 460 S C 0.282 174.919 174.600 0.061 0.000 1.100 460 S CA -0.136 58.096 58.200 0.054 0.000 1.087 460 S CB 1.490 64.705 63.200 0.025 0.000 1.019 460 S HN 0.522 nan 8.310 nan 0.000 0.480 461 G N 3.171 112.016 108.800 0.074 0.000 2.187 461 G HA2 -0.206 3.755 3.960 0.002 0.000 0.261 461 G HA3 -0.206 3.755 3.960 0.002 0.000 0.261 461 G C 0.517 175.500 174.900 0.138 0.000 1.000 461 G CA 0.139 45.299 45.100 0.100 0.000 0.718 461 G HN 1.119 nan 8.290 nan 0.000 0.519 462 G N -0.365 108.512 108.800 0.128 0.000 2.544 462 G HA2 0.550 4.511 3.960 0.002 0.000 0.242 462 G HA3 0.550 4.511 3.960 0.002 0.000 0.242 462 G C 0.780 175.769 174.900 0.149 0.000 1.247 462 G CA -0.056 45.125 45.100 0.136 0.000 0.840 462 G HN 1.420 nan 8.290 nan 0.000 0.578 463 I N -1.098 119.537 120.570 0.109 0.000 3.211 463 I HA 0.726 4.897 4.170 0.002 0.000 0.297 463 I C -0.275 175.842 176.117 -0.002 0.000 1.095 463 I CA -0.233 61.100 61.300 0.055 0.000 1.239 463 I CB 1.585 39.439 38.000 -0.244 0.000 1.455 463 I HN 0.385 nan 8.210 nan 0.000 0.630 464 T N 4.399 118.915 114.554 -0.063 0.000 3.767 464 T HA 0.413 4.764 4.350 0.002 0.000 0.360 464 T C -1.079 173.472 174.700 -0.248 0.000 1.181 464 T CA -0.315 61.684 62.100 -0.167 0.000 1.110 464 T CB 1.170 69.953 68.868 -0.141 0.000 1.201 464 T HN 0.676 nan 8.240 nan 0.000 0.474 465 I N 2.382 122.723 120.570 -0.382 0.000 2.465 465 I HA 0.817 4.988 4.170 0.002 0.000 0.291 465 I C -0.590 175.352 176.117 -0.292 0.000 1.014 465 I CA 0.075 61.048 61.300 -0.545 0.000 1.093 465 I CB 1.868 39.242 38.000 -1.045 0.000 1.267 465 I HN 0.481 nan 8.210 nan 0.000 0.431 466 S N 5.231 120.804 115.700 -0.212 0.000 2.593 466 S HA 0.635 5.106 4.470 0.002 0.000 0.297 466 S C -1.132 173.286 174.600 -0.304 0.000 1.112 466 S CA -0.409 57.762 58.200 -0.048 0.000 1.043 466 S CB 0.909 64.258 63.200 0.249 0.000 1.054 466 S HN 0.692 nan 8.310 nan 0.000 0.516 467 H N 0.932 119.896 119.070 -0.177 0.000 2.800 467 H HA 0.518 5.075 4.556 0.002 0.000 0.322 467 H C -0.763 174.479 175.328 -0.143 0.000 0.979 467 H CA -0.430 55.566 56.048 -0.088 0.000 1.277 467 H CB 0.561 30.286 29.762 -0.063 0.000 1.484 467 H HN 0.281 nan 8.280 nan 0.000 0.512 468 L N 2.841 124.093 121.223 0.049 0.000 2.322 468 L HA 0.688 5.029 4.340 0.002 0.000 0.269 468 L C -0.020 176.779 176.870 -0.117 0.000 1.012 468 L CA -0.880 53.927 54.840 -0.055 0.000 0.815 468 L CB 2.081 44.243 42.059 0.171 0.000 1.295 468 L HN 0.525 nan 8.230 nan 0.000 0.438 469 R N 1.415 121.638 120.500 -0.462 0.000 2.566 469 R HA 0.596 4.938 4.340 0.002 0.000 0.271 469 R C -1.884 174.028 176.300 -0.647 0.000 1.071 469 R CA -0.574 55.330 56.100 -0.326 0.000 0.915 469 R CB 2.387 32.584 30.300 -0.172 0.000 1.228 469 R HN 0.312 nan 8.270 nan 0.000 0.449 470 F N 0.078 120.086 119.950 0.097 0.000 2.576 470 F HA 0.836 5.364 4.527 0.002 0.000 0.313 470 F C 0.590 176.454 175.800 0.106 0.000 1.078 470 F CA -0.748 57.317 58.000 0.108 0.000 0.921 470 F CB 2.855 41.915 39.000 0.099 0.000 1.232 470 F HN 0.621 nan 8.300 nan 0.000 0.459 471 G N 0.539 109.521 108.800 0.303 0.000 2.519 471 G HA2 0.318 4.279 3.960 0.002 0.000 0.292 471 G HA3 0.318 4.279 3.960 0.002 0.000 0.292 471 G C -0.351 174.727 174.900 0.298 0.000 1.507 471 G CA -0.832 44.410 45.100 0.237 0.000 0.806 471 G HN 0.627 nan 8.290 nan 0.000 0.523 472 E N -0.187 120.152 120.200 0.231 0.000 2.274 472 E HA 0.010 4.361 4.350 0.002 0.000 0.194 472 E C 0.446 177.286 176.600 0.400 0.000 0.996 472 E CA 0.532 57.084 56.400 0.253 0.000 0.840 472 E CB 0.276 30.066 29.700 0.150 0.000 0.772 472 E HN 0.245 nan 8.360 nan 0.000 0.491 473 K N 1.950 122.505 120.400 0.257 0.000 2.118 473 K HA 0.306 4.627 4.320 0.002 0.000 0.254 473 K C -2.458 173.871 176.600 -0.451 0.000 0.961 473 K CA -2.522 53.782 56.287 0.029 0.000 0.876 473 K CB 1.409 33.901 32.500 -0.013 0.000 1.077 473 K HN -0.067 nan 8.250 nan 0.000 0.440 474 P HA 0.061 nan 4.420 nan 0.000 0.268 474 P C -0.378 176.617 177.300 -0.509 0.000 1.204 474 P CA 0.293 62.585 63.100 -1.346 0.000 0.768 474 P CB 0.371 31.519 31.700 -0.921 0.000 0.842 475 I N 3.870 124.235 120.570 -0.341 0.000 2.281 475 I HA 0.101 4.272 4.170 0.002 0.000 0.293 475 I C 1.471 177.520 176.117 -0.113 0.000 1.085 475 I CA 0.103 61.310 61.300 -0.155 0.000 1.257 475 I CB 0.123 38.066 38.000 -0.096 0.000 1.430 475 I HN 0.250 nan 8.210 nan 0.000 0.489 476 Q N 3.381 123.135 119.800 -0.077 0.000 2.222 476 Q HA 0.139 4.480 4.340 0.002 0.000 0.206 476 Q C 0.053 176.055 176.000 0.004 0.000 0.877 476 Q CA -0.086 55.705 55.803 -0.021 0.000 0.958 476 Q CB 0.406 29.151 28.738 0.011 0.000 1.075 476 Q HN 0.586 nan 8.270 nan 0.000 0.483 477 S N 1.975 117.617 115.700 -0.097 0.000 3.036 477 S HA 0.060 4.531 4.470 0.002 0.000 0.301 477 S C 0.551 174.940 174.600 -0.352 0.000 1.205 477 S CA -0.344 57.684 58.200 -0.285 0.000 0.999 477 S CB 0.045 62.864 63.200 -0.636 0.000 1.337 477 S HN 0.248 nan 8.310 nan 0.000 0.515 478 T N 1.296 115.819 114.554 -0.051 0.000 3.855 478 T HA 0.479 4.830 4.350 0.002 0.000 0.306 478 T C -0.336 174.382 174.700 0.031 0.000 1.575 478 T CA -0.613 61.460 62.100 -0.044 0.000 1.214 478 T CB -1.128 67.780 68.868 0.066 0.000 1.262 478 T HN 0.601 nan 8.240 nan 0.000 0.883 479 Y N -1.141 119.065 120.300 -0.157 0.000 2.677 479 Y HA 0.640 5.191 4.550 0.002 0.000 0.334 479 Y C -1.118 174.645 175.900 -0.228 0.000 1.196 479 Y CA -2.106 55.887 58.100 -0.179 0.000 1.059 479 Y CB 0.656 39.053 38.460 -0.104 0.000 1.315 479 Y HN 0.112 nan 8.280 nan 0.000 0.455 480 L N 1.904 123.064 121.223 -0.104 0.000 2.476 480 L HA 0.384 4.726 4.340 0.002 0.000 0.264 480 L C -0.135 176.726 176.870 -0.016 0.000 1.224 480 L CA -1.101 53.570 54.840 -0.282 0.000 0.821 480 L CB 0.547 42.401 42.059 -0.341 0.000 1.101 480 L HN 0.537 nan 8.230 nan 0.000 0.488 481 V N 1.722 121.730 119.914 0.156 0.000 2.488 481 V HA 0.028 4.150 4.120 0.002 0.000 0.277 481 V C 0.453 176.675 176.094 0.213 0.000 1.046 481 V CA -0.096 62.331 62.300 0.211 0.000 0.986 481 V CB 0.967 32.933 31.823 0.238 0.000 0.989 481 V HN 0.939 nan 8.190 nan 0.000 0.475 482 N N 3.773 122.580 118.700 0.179 0.000 2.564 482 N HA 0.062 4.803 4.740 0.002 0.000 0.202 482 N C 0.529 176.100 175.510 0.101 0.000 1.052 482 N CA -0.066 53.066 53.050 0.136 0.000 0.872 482 N CB 0.228 38.787 38.487 0.119 0.000 1.303 482 N HN 0.393 nan 8.380 nan 0.000 0.440 483 R N 1.532 122.091 120.500 0.098 0.000 2.825 483 R HA 0.519 4.860 4.340 0.002 0.000 0.261 483 R C -0.602 175.744 176.300 0.076 0.000 1.341 483 R CA -0.510 55.633 56.100 0.073 0.000 1.353 483 R CB 0.061 30.399 30.300 0.063 0.000 1.191 483 R HN 0.293 nan 8.270 nan 0.000 0.590 484 A N 1.700 124.560 122.820 0.067 0.000 2.440 484 A HA 0.128 4.449 4.320 0.002 0.000 0.251 484 A C 0.662 178.295 177.584 0.083 0.000 1.089 484 A CA -0.290 51.788 52.037 0.068 0.000 0.779 484 A CB 0.446 19.468 19.000 0.036 0.000 1.022 484 A HN 0.526 nan 8.150 nan 0.000 0.492 485 D N -0.382 120.090 120.400 0.119 0.000 2.201 485 D HA 0.018 4.659 4.640 0.002 0.000 0.209 485 D C -0.558 175.868 176.300 0.210 0.000 0.961 485 D CA 1.618 55.706 54.000 0.148 0.000 0.861 485 D CB 0.225 41.115 40.800 0.151 0.000 0.997 485 D HN 0.612 nan 8.370 nan 0.000 0.486 486 Y N 1.243 121.574 120.300 0.052 0.000 2.329 486 Y HA 0.389 4.940 4.550 0.002 0.000 0.328 486 Y C -1.415 174.476 175.900 -0.016 0.000 0.992 486 Y CA -0.694 57.441 58.100 0.058 0.000 1.151 486 Y CB 1.345 39.836 38.460 0.052 0.000 1.150 486 Y HN -0.395 nan 8.280 nan 0.000 0.450 487 V N 5.839 125.573 119.914 -0.301 0.000 2.495 487 V HA 0.884 5.005 4.120 0.002 0.000 0.298 487 V C -0.406 175.523 176.094 -0.274 0.000 1.031 487 V CA -0.467 61.677 62.300 -0.259 0.000 0.871 487 V CB 1.282 32.963 31.823 -0.236 0.000 0.988 487 V HN 0.931 nan 8.190 nan 0.000 0.432 488 A N 3.286 126.021 122.820 -0.142 0.000 2.365 488 A HA 0.697 5.018 4.320 0.002 0.000 0.318 488 A C -0.627 177.153 177.584 0.326 0.000 1.091 488 A CA -0.462 51.670 52.037 0.158 0.000 0.763 488 A CB 1.573 20.822 19.000 0.415 0.000 1.248 488 A HN 0.969 nan 8.150 nan 0.000 0.442 489 C N 3.069 122.633 119.300 0.439 0.000 2.362 489 C HA 0.526 4.987 4.460 0.002 0.000 0.309 489 C C 0.702 175.914 174.990 0.370 0.000 1.110 489 C CA -0.446 58.791 59.018 0.365 0.000 1.485 489 C CB -1.633 26.308 27.740 0.335 0.000 1.949 489 C HN 0.984 nan 8.230 nan 0.000 0.419 490 H N 2.789 121.970 119.070 0.186 0.000 2.543 490 H HA 0.099 4.656 4.556 0.002 0.000 0.269 490 H C 0.524 175.797 175.328 -0.092 0.000 1.005 490 H CA 0.179 56.268 56.048 0.067 0.000 1.146 490 H CB 0.164 29.999 29.762 0.123 0.000 1.353 490 H HN 0.711 nan 8.280 nan 0.000 0.595 491 N N 0.918 119.520 118.700 -0.163 0.000 2.558 491 N HA 0.058 4.799 4.740 0.002 0.000 0.285 491 N C -2.035 173.236 175.510 -0.397 0.000 1.112 491 N CA -1.989 50.813 53.050 -0.414 0.000 0.857 491 N CB 1.540 39.486 38.487 -0.901 0.000 1.376 491 N HN -0.176 nan 8.380 nan 0.000 0.526 492 P HA -0.236 nan 4.420 nan 0.000 0.217 492 P C 1.068 178.393 177.300 0.042 0.000 1.151 492 P CA 1.159 64.149 63.100 -0.184 0.000 0.849 492 P CB 0.199 31.666 31.700 -0.389 0.000 0.787 493 A N -1.028 121.802 122.820 0.016 0.000 2.076 493 A HA -0.218 4.103 4.320 0.002 0.000 0.220 493 A C 2.108 179.907 177.584 0.358 0.000 1.160 493 A CA 1.266 53.411 52.037 0.181 0.000 0.653 493 A CB -1.556 17.548 19.000 0.172 0.000 0.801 493 A HN 0.096 nan 8.150 nan 0.000 0.455 494 Y N -0.890 119.523 120.300 0.188 0.000 2.163 494 Y HA -0.144 4.407 4.550 0.002 0.000 0.288 494 Y C 2.687 178.645 175.900 0.096 0.000 1.136 494 Y CA 0.242 58.468 58.100 0.210 0.000 1.147 494 Y CB -1.538 37.008 38.460 0.144 0.000 0.987 494 Y HN 0.170 nan 8.280 nan 0.000 0.509 495 V N 0.558 120.627 119.914 0.259 0.000 2.242 495 V HA -0.362 3.759 4.120 0.002 0.000 0.257 495 V C 2.286 178.432 176.094 0.087 0.000 1.073 495 V CA 2.756 65.156 62.300 0.166 0.000 1.058 495 V CB -1.146 30.848 31.823 0.286 0.000 0.664 495 V HN 0.490 nan 8.190 nan 0.000 0.451 496 G N -0.097 108.771 108.800 0.113 0.000 2.453 496 G HA2 -0.252 3.710 3.960 0.002 0.000 0.215 496 G HA3 -0.252 3.710 3.960 0.002 0.000 0.215 496 G C 1.516 176.403 174.900 -0.022 0.000 1.201 496 G CA 1.396 46.515 45.100 0.032 0.000 0.784 496 G HN 0.814 nan 8.290 nan 0.000 0.545 497 I N -2.947 117.602 120.570 -0.034 0.000 2.333 497 I HA 0.218 4.389 4.170 0.002 0.000 0.246 497 I C 0.835 176.757 176.117 -0.325 0.000 1.106 497 I CA 0.268 61.444 61.300 -0.206 0.000 1.411 497 I CB -0.295 37.513 38.000 -0.320 0.000 1.082 497 I HN -0.005 nan 8.210 nan 0.000 0.420 498 Y N 1.395 121.634 120.300 -0.101 0.000 2.488 498 Y HA 0.347 4.898 4.550 0.002 0.000 0.325 498 Y C 0.295 176.033 175.900 -0.270 0.000 1.204 498 Y CA -0.842 57.145 58.100 -0.188 0.000 1.229 498 Y CB 0.427 38.690 38.460 -0.328 0.000 1.274 498 Y HN -0.071 nan 8.280 nan 0.000 0.493 499 D N 2.020 122.406 120.400 -0.024 0.000 2.688 499 D HA 0.072 4.713 4.640 0.002 0.000 0.228 499 D C 1.109 177.253 176.300 -0.260 0.000 1.116 499 D CA 0.231 54.172 54.000 -0.099 0.000 1.023 499 D CB -0.205 40.603 40.800 0.013 0.000 1.100 499 D HN 0.398 nan 8.370 nan 0.000 0.487 500 I N 0.644 120.898 120.570 -0.527 0.000 2.194 500 I HA -0.262 3.910 4.170 0.002 0.000 0.246 500 I C 1.536 177.367 176.117 -0.477 0.000 1.093 500 I CA 0.740 61.560 61.300 -0.800 0.000 1.355 500 I CB -0.568 36.984 38.000 -0.746 0.000 1.046 500 I HN 0.317 nan 8.210 nan 0.000 0.413 501 L N 0.848 121.837 121.223 -0.391 0.000 2.685 501 L HA 0.228 4.569 4.340 0.002 0.000 0.233 501 L C 0.986 177.765 176.870 -0.151 0.000 1.173 501 L CA -0.266 54.373 54.840 -0.334 0.000 0.961 501 L CB -1.473 40.360 42.059 -0.376 0.000 1.217 501 L HN 0.245 nan 8.230 nan 0.000 0.478 502 E N 0.433 120.592 120.200 -0.068 0.000 2.493 502 E HA 0.180 4.531 4.350 0.002 0.000 0.255 502 E C 1.256 177.864 176.600 0.013 0.000 0.999 502 E CA 0.818 57.215 56.400 -0.005 0.000 0.934 502 E CB 0.340 30.072 29.700 0.053 0.000 0.940 502 E HN 0.500 nan 8.360 nan 0.000 0.473 503 G N 4.368 113.172 108.800 0.007 0.000 2.189 503 G HA2 -0.343 3.618 3.960 0.002 0.000 0.267 503 G HA3 -0.343 3.618 3.960 0.002 0.000 0.267 503 G C 0.505 175.414 174.900 0.016 0.000 0.975 503 G CA 0.348 45.461 45.100 0.021 0.000 0.644 503 G HN 0.672 nan 8.290 nan 0.000 0.537 504 I N 1.241 121.805 120.570 -0.011 0.000 2.845 504 I HA 0.199 4.370 4.170 0.002 0.000 0.296 504 I C 0.952 177.082 176.117 0.022 0.000 1.216 504 I CA 0.141 61.437 61.300 -0.007 0.000 1.438 504 I CB 0.290 38.255 38.000 -0.058 0.000 1.342 504 I HN 0.206 nan 8.210 nan 0.000 0.577 505 K N 5.393 125.821 120.400 0.045 0.000 2.276 505 K HA 0.097 4.418 4.320 0.002 0.000 0.259 505 K C -0.490 176.149 176.600 0.065 0.000 1.001 505 K CA -0.479 55.841 56.287 0.055 0.000 0.927 505 K CB 0.222 32.762 32.500 0.067 0.000 0.969 505 K HN 0.516 nan 8.250 nan 0.000 0.490 506 D N 0.597 121.035 120.400 0.062 0.000 2.488 506 D HA 0.094 4.735 4.640 0.002 0.000 0.238 506 D C 0.950 177.306 176.300 0.093 0.000 1.138 506 D CA 1.447 55.490 54.000 0.073 0.000 0.873 506 D CB 0.475 41.312 40.800 0.062 0.000 1.183 506 D HN 0.690 nan 8.370 nan 0.000 0.458 507 G N 2.095 110.964 108.800 0.115 0.000 2.225 507 G HA2 -0.182 3.779 3.960 0.002 0.000 0.267 507 G HA3 -0.182 3.779 3.960 0.002 0.000 0.267 507 G C 0.667 175.664 174.900 0.161 0.000 1.024 507 G CA 0.051 45.235 45.100 0.139 0.000 0.784 507 G HN 0.762 nan 8.290 nan 0.000 0.507 508 G N -0.050 108.843 108.800 0.156 0.000 2.355 508 G HA2 0.601 4.562 3.960 0.002 0.000 0.276 508 G HA3 0.601 4.562 3.960 0.002 0.000 0.276 508 G C 0.570 175.616 174.900 0.244 0.000 1.198 508 G CA 0.838 46.042 45.100 0.173 0.000 0.876 508 G HN 1.218 nan 8.290 nan 0.000 0.478 509 T N 0.394 115.131 114.554 0.305 0.000 2.855 509 T HA 0.409 4.761 4.350 0.002 0.000 0.314 509 T C -0.638 174.288 174.700 0.377 0.000 1.077 509 T CA -0.079 62.276 62.100 0.425 0.000 1.095 509 T CB 0.516 69.672 68.868 0.479 0.000 0.987 509 T HN 0.753 nan 8.240 nan 0.000 0.546 510 F N 4.452 124.554 119.950 0.252 0.000 2.651 510 F HA 0.542 5.071 4.527 0.002 0.000 0.329 510 F C -1.302 174.677 175.800 0.299 0.000 1.186 510 F CA -1.641 56.420 58.000 0.102 0.000 1.046 510 F CB 0.913 39.963 39.000 0.082 0.000 1.296 510 F HN 0.655 nan 8.300 nan 0.000 0.497 511 V N 7.378 127.433 119.914 0.235 0.000 2.769 511 V HA 0.910 5.032 4.120 0.002 0.000 0.312 511 V C -2.219 173.899 176.094 0.041 0.000 1.058 511 V CA -0.629 61.734 62.300 0.105 0.000 0.952 511 V CB 1.817 33.743 31.823 0.172 0.000 1.019 511 V HN 0.924 nan 8.190 nan 0.000 0.445 512 L N 4.642 125.837 121.223 -0.046 0.000 2.436 512 L HA 0.552 4.893 4.340 0.002 0.000 0.268 512 L C -0.635 176.199 176.870 -0.060 0.000 0.974 512 L CA -0.391 54.438 54.840 -0.018 0.000 0.826 512 L CB 1.828 43.840 42.059 -0.078 0.000 1.291 512 L HN 0.941 nan 8.230 nan 0.000 0.406 513 N N 3.371 122.051 118.700 -0.033 0.000 2.408 513 N HA 0.558 5.299 4.740 0.002 0.000 0.257 513 N C -1.114 174.216 175.510 -0.299 0.000 1.064 513 N CA 0.225 53.205 53.050 -0.117 0.000 0.952 513 N CB 0.639 39.092 38.487 -0.056 0.000 1.093 513 N HN 0.779 nan 8.380 nan 0.000 0.490 514 S N 3.657 119.108 115.700 -0.416 0.000 2.580 514 S HA 0.274 4.745 4.470 0.002 0.000 0.281 514 S C -2.735 171.487 174.600 -0.629 0.000 1.129 514 S CA -0.852 56.868 58.200 -0.800 0.000 0.862 514 S CB 1.896 64.277 63.200 -1.366 0.000 1.090 514 S HN 0.495 nan 8.310 nan 0.000 0.451 515 P HA 0.224 nan 4.420 nan 0.000 0.249 515 P C -0.096 177.152 177.300 -0.087 0.000 1.229 515 P CA 0.036 62.963 63.100 -0.289 0.000 0.788 515 P CB -0.178 31.413 31.700 -0.182 0.000 1.072 516 W N 1.711 122.979 121.300 -0.053 0.000 1.371 516 W HA 0.186 4.848 4.660 0.002 0.000 0.482 516 W C 0.889 177.453 176.519 0.075 0.000 0.640 516 W CA -0.563 56.792 57.345 0.017 0.000 2.164 516 W CB -1.528 27.932 29.460 0.001 0.000 1.613 516 W HN 0.045 nan 8.180 nan 0.000 0.212 517 S N 0.479 116.316 115.700 0.229 0.000 2.423 517 S HA -0.117 4.354 4.470 0.002 0.000 0.231 517 S C 1.222 176.004 174.600 0.303 0.000 1.014 517 S CA 0.889 59.213 58.200 0.206 0.000 0.965 517 S CB -0.111 63.157 63.200 0.114 0.000 0.785 517 S HN 0.373 nan 8.310 nan 0.000 0.495 518 S N 1.231 117.112 115.700 0.301 0.000 2.617 518 S HA 0.480 4.952 4.470 0.002 0.000 0.283 518 S C 0.686 175.530 174.600 0.407 0.000 1.189 518 S CA -0.859 57.502 58.200 0.269 0.000 1.036 518 S CB 1.323 64.629 63.200 0.177 0.000 1.014 518 S HN 0.065 nan 8.310 nan 0.000 0.522 519 L N 1.464 122.885 121.223 0.331 0.000 2.187 519 L HA -0.039 4.303 4.340 0.002 0.000 0.213 519 L C 2.304 179.392 176.870 0.362 0.000 1.100 519 L CA 2.227 57.339 54.840 0.452 0.000 0.765 519 L CB -1.064 41.116 42.059 0.201 0.000 0.904 519 L HN 1.041 nan 8.230 nan 0.000 0.437 520 E N -0.695 119.648 120.200 0.238 0.000 2.007 520 E HA -0.227 4.124 4.350 0.002 0.000 0.194 520 E C 1.724 178.419 176.600 0.157 0.000 0.999 520 E CA 1.683 58.183 56.400 0.167 0.000 0.811 520 E CB -0.102 29.669 29.700 0.120 0.000 0.762 520 E HN 0.505 nan 8.360 nan 0.000 0.450 521 D N 0.170 120.693 120.400 0.203 0.000 2.097 521 D HA -0.184 4.458 4.640 0.002 0.000 0.195 521 D C 1.949 178.387 176.300 0.230 0.000 0.989 521 D CA 1.162 55.297 54.000 0.224 0.000 0.827 521 D CB -0.404 40.610 40.800 0.356 0.000 0.966 521 D HN 0.211 nan 8.370 nan 0.000 0.456 522 M N 1.298 121.106 119.600 0.346 0.000 2.082 522 M HA -0.193 4.288 4.480 0.002 0.000 0.258 522 M C 1.144 177.535 176.300 0.152 0.000 1.069 522 M CA 1.675 57.166 55.300 0.318 0.000 1.102 522 M CB -0.550 32.275 32.600 0.374 0.000 1.336 522 M HN -0.206 nan 8.290 nan 0.000 0.404 523 D N -0.149 120.382 120.400 0.218 0.000 2.178 523 D HA -0.148 4.493 4.640 0.002 0.000 0.201 523 D C 1.456 177.696 176.300 -0.099 0.000 0.980 523 D CA 1.392 55.454 54.000 0.104 0.000 0.842 523 D CB -0.346 40.573 40.800 0.197 0.000 0.948 523 D HN 0.576 nan 8.370 nan 0.000 0.472 524 K N -0.725 119.572 120.400 -0.172 0.000 2.504 524 K HA 0.007 4.328 4.320 0.002 0.000 0.199 524 K C 0.106 176.239 176.600 -0.778 0.000 1.028 524 K CA 0.553 56.610 56.287 -0.383 0.000 1.164 524 K CB 0.064 32.367 32.500 -0.329 0.000 0.877 524 K HN 0.248 nan 8.250 nan 0.000 0.508 525 H N -0.939 117.824 119.070 -0.511 0.000 1.855 525 H HA 0.196 4.753 4.556 0.002 0.000 0.178 525 H C -0.653 174.351 175.328 -0.539 0.000 0.923 525 H CA -0.592 54.998 56.048 -0.763 0.000 0.993 525 H CB 0.221 28.869 29.762 -1.857 0.000 1.078 525 H HN -0.039 nan 8.280 nan 0.000 0.349 526 L N 4.029 125.057 121.223 -0.324 0.000 2.540 526 L HA 0.081 4.422 4.340 0.002 0.000 0.276 526 L C -2.121 174.594 176.870 -0.258 0.000 1.212 526 L CA -1.054 53.654 54.840 -0.219 0.000 0.893 526 L CB -0.010 41.889 42.059 -0.267 0.000 1.138 526 L HN 0.117 nan 8.230 nan 0.000 0.491 527 P HA 0.178 nan 4.420 nan 0.000 0.274 527 P C 0.457 177.612 177.300 -0.242 0.000 1.246 527 P CA -0.306 62.679 63.100 -0.192 0.000 0.795 527 P CB 0.667 32.285 31.700 -0.136 0.000 1.006 528 S N 0.374 115.954 115.700 -0.200 0.000 2.359 528 S HA -0.201 4.270 4.470 0.002 0.000 0.222 528 S C 2.241 176.723 174.600 -0.197 0.000 1.038 528 S CA 1.733 59.813 58.200 -0.200 0.000 1.051 528 S CB -2.144 60.976 63.200 -0.132 0.000 0.944 528 S HN 0.573 nan 8.310 nan 0.000 0.433 529 G N 1.750 110.460 108.800 -0.150 0.000 2.503 529 G HA2 -0.178 3.783 3.960 0.002 0.000 0.221 529 G HA3 -0.178 3.783 3.960 0.002 0.000 0.221 529 G C 1.451 176.257 174.900 -0.156 0.000 1.131 529 G CA 1.195 46.218 45.100 -0.129 0.000 0.756 529 G HN 0.573 nan 8.290 nan 0.000 0.572 530 I N 0.248 120.697 120.570 -0.201 0.000 2.233 530 I HA -0.104 4.067 4.170 0.002 0.000 0.243 530 I C 2.790 178.719 176.117 -0.314 0.000 1.093 530 I CA 1.086 62.249 61.300 -0.228 0.000 1.380 530 I CB -0.182 37.696 38.000 -0.203 0.000 1.067 530 I HN 0.181 nan 8.210 nan 0.000 0.413 531 K N 0.509 120.609 120.400 -0.499 0.000 2.063 531 K HA -0.236 4.085 4.320 0.002 0.000 0.208 531 K C 2.241 178.717 176.600 -0.207 0.000 1.048 531 K CA 1.389 57.223 56.287 -0.755 0.000 0.928 531 K CB -0.330 31.397 32.500 -1.289 0.000 0.713 531 K HN 0.176 nan 8.250 nan 0.000 0.442 532 R N 0.767 121.170 120.500 -0.161 0.000 2.080 532 R HA -0.107 4.234 4.340 0.002 0.000 0.236 532 R C 2.488 178.778 176.300 -0.017 0.000 1.137 532 R CA 2.101 58.181 56.100 -0.033 0.000 0.943 532 R CB -0.558 29.709 30.300 -0.054 0.000 0.846 532 R HN 0.157 nan 8.270 nan 0.000 0.431 533 T N 0.785 115.299 114.554 -0.068 0.000 2.635 533 T HA -0.162 4.189 4.350 0.002 0.000 0.267 533 T C 1.752 176.432 174.700 -0.033 0.000 1.040 533 T CA 1.750 63.815 62.100 -0.057 0.000 1.156 533 T CB -0.227 68.579 68.868 -0.102 0.000 0.863 533 T HN 0.179 nan 8.240 nan 0.000 0.430 534 I N 0.974 121.502 120.570 -0.070 0.000 2.264 534 I HA -0.232 3.940 4.170 0.002 0.000 0.248 534 I C 2.696 178.809 176.117 -0.008 0.000 1.111 534 I CA 1.137 62.394 61.300 -0.071 0.000 1.382 534 I CB -0.413 37.468 38.000 -0.198 0.000 1.060 534 I HN 0.225 nan 8.210 nan 0.000 0.418 535 A N 1.477 124.333 122.820 0.059 0.000 1.831 535 A HA -0.165 4.156 4.320 0.002 0.000 0.213 535 A C 1.988 179.677 177.584 0.175 0.000 1.223 535 A CA 1.874 54.027 52.037 0.193 0.000 0.604 535 A CB -0.979 18.180 19.000 0.266 0.000 0.878 535 A HN 0.426 nan 8.150 nan 0.000 0.450 536 N N 0.175 118.944 118.700 0.115 0.000 2.205 536 N HA -0.122 4.619 4.740 0.002 0.000 0.186 536 N C 1.399 176.959 175.510 0.084 0.000 1.015 536 N CA 1.411 54.516 53.050 0.091 0.000 0.862 536 N CB -0.171 38.352 38.487 0.060 0.000 0.986 536 N HN 0.466 nan 8.380 nan 0.000 0.429 537 K N 0.460 120.908 120.400 0.080 0.000 2.487 537 K HA 0.093 4.414 4.320 0.002 0.000 0.192 537 K C -0.167 176.500 176.600 0.110 0.000 1.027 537 K CA 0.144 56.477 56.287 0.076 0.000 1.054 537 K CB 0.267 32.799 32.500 0.053 0.000 0.824 537 K HN -0.023 nan 8.250 nan 0.000 0.510 538 K N 0.783 121.273 120.400 0.150 0.000 3.069 538 K HA -0.169 4.152 4.320 0.002 0.000 0.267 538 K C -0.285 176.449 176.600 0.224 0.000 1.082 538 K CA 0.311 56.714 56.287 0.193 0.000 0.782 538 K CB -1.739 30.842 32.500 0.134 0.000 1.230 538 K HN 0.165 nan 8.250 nan 0.000 0.488 539 L N 0.208 121.574 121.223 0.238 0.000 2.473 539 L HA -0.032 4.309 4.340 0.002 0.000 0.280 539 L C 0.919 177.993 176.870 0.340 0.000 1.266 539 L CA 0.680 55.678 54.840 0.263 0.000 0.824 539 L CB 0.153 42.356 42.059 0.241 0.000 1.091 539 L HN 0.143 nan 8.230 nan 0.000 0.534 540 K N 1.807 122.412 120.400 0.342 0.000 2.423 540 K HA 0.259 4.580 4.320 0.002 0.000 0.234 540 K C -0.828 175.988 176.600 0.360 0.000 1.051 540 K CA -0.465 56.001 56.287 0.297 0.000 1.021 540 K CB 0.545 33.266 32.500 0.369 0.000 1.474 540 K HN 0.191 nan 8.250 nan 0.000 0.474 541 F N 2.979 123.013 119.950 0.140 0.000 2.438 541 F HA 0.206 4.734 4.527 0.002 0.000 0.356 541 F C -0.835 174.898 175.800 -0.113 0.000 1.099 541 F CA -0.827 57.217 58.000 0.073 0.000 1.185 541 F CB 0.192 39.275 39.000 0.139 0.000 1.115 541 F HN 0.297 nan 8.300 nan 0.000 0.526 542 Y N 4.568 124.877 120.300 0.015 0.000 2.326 542 Y HA 0.257 4.808 4.550 0.002 0.000 0.331 542 Y C -0.007 175.661 175.900 -0.386 0.000 0.962 542 Y CA -1.046 56.973 58.100 -0.135 0.000 1.167 542 Y CB 1.346 39.824 38.460 0.031 0.000 1.148 542 Y HN 0.613 nan 8.280 nan 0.000 0.463 543 N N 3.560 122.053 118.700 -0.344 0.000 2.443 543 N HA 0.674 5.415 4.740 0.002 0.000 0.295 543 N C -1.569 173.879 175.510 -0.103 0.000 1.076 543 N CA -0.500 52.345 53.050 -0.342 0.000 0.919 543 N CB 1.096 39.320 38.487 -0.437 0.000 1.176 543 N HN 0.738 nan 8.380 nan 0.000 0.487 544 I N 1.724 122.236 120.570 -0.097 0.000 2.607 544 I HA 0.238 4.409 4.170 0.002 0.000 0.290 544 I C -1.407 174.652 176.117 -0.097 0.000 1.129 544 I CA -0.678 60.591 61.300 -0.052 0.000 1.042 544 I CB 1.760 39.760 38.000 -0.000 0.000 1.242 544 I HN 0.599 nan 8.210 nan 0.000 0.421 545 D N 6.527 126.876 120.400 -0.085 0.000 2.741 545 D HA 0.316 4.957 4.640 0.002 0.000 0.233 545 D C 1.123 177.376 176.300 -0.078 0.000 1.160 545 D CA 0.286 54.221 54.000 -0.107 0.000 1.003 545 D CB 1.013 41.762 40.800 -0.084 0.000 1.064 545 D HN 0.666 nan 8.370 nan 0.000 0.503 546 A N 1.386 124.158 122.820 -0.079 0.000 1.927 546 A HA -0.219 4.102 4.320 0.002 0.000 0.220 546 A C 2.284 179.833 177.584 -0.058 0.000 1.185 546 A CA 1.802 53.802 52.037 -0.062 0.000 0.639 546 A CB -0.550 18.407 19.000 -0.072 0.000 0.820 546 A HN 0.398 nan 8.150 nan 0.000 0.451 547 V N 0.571 120.444 119.914 -0.069 0.000 2.252 547 V HA -0.355 3.767 4.120 0.002 0.000 0.249 547 V C 2.555 178.624 176.094 -0.043 0.000 1.056 547 V CA 2.613 64.880 62.300 -0.055 0.000 1.022 547 V CB -0.884 30.901 31.823 -0.064 0.000 0.641 547 V HN 0.760 nan 8.190 nan 0.000 0.445 548 K N 0.316 120.689 120.400 -0.044 0.000 2.026 548 K HA -0.149 4.172 4.320 0.002 0.000 0.208 548 K C 2.161 178.744 176.600 -0.027 0.000 1.048 548 K CA 2.013 58.282 56.287 -0.031 0.000 0.929 548 K CB -0.306 32.177 32.500 -0.029 0.000 0.713 548 K HN 0.472 nan 8.250 nan 0.000 0.439 549 I N 1.358 121.910 120.570 -0.029 0.000 2.335 549 I HA -0.254 3.917 4.170 0.002 0.000 0.251 549 I C 2.563 178.662 176.117 -0.030 0.000 1.129 549 I CA 1.188 62.473 61.300 -0.026 0.000 1.402 549 I CB -0.445 37.541 38.000 -0.023 0.000 1.069 549 I HN 0.282 nan 8.210 nan 0.000 0.424 550 A N 0.704 123.504 122.820 -0.033 0.000 1.929 550 A HA -0.144 4.177 4.320 0.002 0.000 0.216 550 A C 2.401 179.966 177.584 -0.031 0.000 1.176 550 A CA 2.161 54.177 52.037 -0.035 0.000 0.628 550 A CB -0.932 18.047 19.000 -0.035 0.000 0.816 550 A HN 0.395 nan 8.150 nan 0.000 0.444 551 T N 0.182 114.720 114.554 -0.027 0.000 2.737 551 T HA -0.109 4.243 4.350 0.002 0.000 0.265 551 T C 1.488 176.176 174.700 -0.021 0.000 1.038 551 T CA 1.384 63.471 62.100 -0.022 0.000 1.144 551 T CB -0.414 68.443 68.868 -0.018 0.000 0.866 551 T HN 0.406 nan 8.240 nan 0.000 0.434 552 D N 1.484 121.871 120.400 -0.021 0.000 2.108 552 D HA -0.107 4.534 4.640 0.002 0.000 0.190 552 D C 2.264 178.550 176.300 -0.023 0.000 0.995 552 D CA 1.534 55.523 54.000 -0.019 0.000 0.834 552 D CB -0.780 40.010 40.800 -0.017 0.000 0.967 552 D HN 0.394 nan 8.370 nan 0.000 0.446 553 V N -2.443 117.453 119.914 -0.029 0.000 3.488 553 V HA 0.221 4.342 4.120 0.002 0.000 0.273 553 V C 1.511 177.580 176.094 -0.042 0.000 1.209 553 V CA 1.209 63.487 62.300 -0.037 0.000 1.179 553 V CB -0.479 31.317 31.823 -0.045 0.000 0.842 553 V HN 0.364 nan 8.190 nan 0.000 0.515 554 G N 0.431 109.210 108.800 -0.035 0.000 2.217 554 G HA2 -0.266 3.695 3.960 0.002 0.000 0.246 554 G HA3 -0.266 3.695 3.960 0.002 0.000 0.246 554 G C 0.390 175.269 174.900 -0.036 0.000 0.990 554 G CA 0.233 45.313 45.100 -0.034 0.000 0.627 554 G HN 0.561 nan 8.290 nan 0.000 0.522 555 L N 1.775 122.972 121.223 -0.042 0.000 2.798 555 L HA 0.344 4.685 4.340 0.002 0.000 0.254 555 L C 1.879 178.733 176.870 -0.026 0.000 1.176 555 L CA 0.378 55.194 54.840 -0.040 0.000 0.991 555 L CB -0.816 41.211 42.059 -0.052 0.000 1.225 555 L HN 0.769 nan 8.230 nan 0.000 0.420 556 G N 0.754 109.541 108.800 -0.021 0.000 2.357 556 G HA2 -0.224 3.737 3.960 0.002 0.000 0.282 556 G HA3 -0.224 3.737 3.960 0.002 0.000 0.282 556 G C 1.064 175.956 174.900 -0.014 0.000 0.910 556 G CA 0.301 45.392 45.100 -0.014 0.000 1.267 556 G HN 0.752 nan 8.290 nan 0.000 0.476 557 G N -0.328 108.461 108.800 -0.018 0.000 2.379 557 G HA2 -0.344 3.618 3.960 0.002 0.000 0.297 557 G HA3 -0.344 3.618 3.960 0.002 0.000 0.297 557 G C 0.547 175.436 174.900 -0.019 0.000 1.004 557 G CA 0.841 45.929 45.100 -0.020 0.000 0.921 557 G HN 0.982 nan 8.290 nan 0.000 0.511 558 R N -0.010 120.480 120.500 -0.018 0.000 2.280 558 R HA 0.347 4.688 4.340 0.002 0.000 0.326 558 R C 2.040 178.328 176.300 -0.020 0.000 1.080 558 R CA -0.299 55.793 56.100 -0.012 0.000 1.002 558 R CB 0.196 30.495 30.300 -0.002 0.000 1.136 558 R HN 0.549 nan 8.270 nan 0.000 0.509 559 I N 0.806 121.360 120.570 -0.026 0.000 2.850 559 I HA -0.256 3.915 4.170 0.002 0.000 0.266 559 I C 1.256 177.342 176.117 -0.051 0.000 1.257 559 I CA 1.305 62.578 61.300 -0.044 0.000 1.465 559 I CB -0.300 37.665 38.000 -0.058 0.000 1.091 559 I HN 0.482 nan 8.210 nan 0.000 0.467 560 N N 1.806 120.492 118.700 -0.023 0.000 2.036 560 N HA -0.312 4.429 4.740 0.002 0.000 0.195 560 N C 1.812 177.319 175.510 -0.005 0.000 1.037 560 N CA 1.923 54.965 53.050 -0.013 0.000 0.855 560 N CB -0.593 37.905 38.487 0.018 0.000 1.033 560 N HN 0.271 nan 8.380 nan 0.000 0.423 561 M N 0.184 119.785 119.600 0.002 0.000 2.279 561 M HA 0.117 4.599 4.480 0.002 0.000 0.264 561 M C 1.532 177.833 176.300 0.000 0.000 1.062 561 M CA 1.197 56.498 55.300 0.002 0.000 1.099 561 M CB -0.310 32.268 32.600 -0.036 0.000 1.394 561 M HN 0.345 nan 8.290 nan 0.000 0.426 562 I N -1.123 119.438 120.570 -0.016 0.000 2.235 562 I HA -0.246 3.925 4.170 0.002 0.000 0.241 562 I C 1.837 177.964 176.117 0.017 0.000 1.085 562 I CA 0.830 62.126 61.300 -0.007 0.000 1.378 562 I CB -0.443 37.542 38.000 -0.025 0.000 1.076 562 I HN 0.182 nan 8.210 nan 0.000 0.415 563 M N 0.193 119.767 119.600 -0.042 0.000 2.539 563 M HA -0.172 4.309 4.480 0.002 0.000 0.261 563 M C 2.123 178.496 176.300 0.121 0.000 1.069 563 M CA 1.355 56.613 55.300 -0.069 0.000 1.081 563 M CB -1.229 31.055 32.600 -0.527 0.000 1.412 563 M HN 0.291 nan 8.290 nan 0.000 0.482 564 Q N 0.210 120.090 119.800 0.132 0.000 2.163 564 Q HA -0.035 4.306 4.340 0.002 0.000 0.198 564 Q C 1.740 177.973 176.000 0.388 0.000 0.954 564 Q CA 1.773 57.736 55.803 0.267 0.000 0.851 564 Q CB -0.115 28.732 28.738 0.182 0.000 0.928 564 Q HN 0.399 nan 8.270 nan 0.000 0.459 565 T N 0.553 115.234 114.554 0.212 0.000 2.674 565 T HA -0.126 4.225 4.350 0.002 0.000 0.265 565 T C 1.784 176.611 174.700 0.211 0.000 1.039 565 T CA 1.539 63.739 62.100 0.167 0.000 1.150 565 T CB -0.760 68.147 68.868 0.065 0.000 0.864 565 T HN 0.477 nan 8.240 nan 0.000 0.427 566 A N 1.296 124.236 122.820 0.199 0.000 1.927 566 A HA -0.138 4.183 4.320 0.002 0.000 0.220 566 A C 1.997 179.699 177.584 0.197 0.000 1.185 566 A CA 1.915 54.071 52.037 0.198 0.000 0.639 566 A CB -1.068 18.084 19.000 0.254 0.000 0.820 566 A HN 0.515 nan 8.150 nan 0.000 0.451 567 F N -0.403 119.647 119.950 0.167 0.000 2.010 567 F HA -0.161 4.367 4.527 0.002 0.000 0.296 567 F C 1.963 177.646 175.800 -0.196 0.000 1.146 567 F CA 1.969 59.899 58.000 -0.117 0.000 1.181 567 F CB -0.838 38.218 39.000 0.094 0.000 0.965 567 F HN 0.195 nan 8.300 nan 0.000 0.480 568 F N 1.032 120.810 119.950 -0.287 0.000 2.111 568 F HA -0.273 4.255 4.527 0.002 0.000 0.300 568 F C 2.639 178.228 175.800 -0.353 0.000 1.088 568 F CA 2.304 60.076 58.000 -0.379 0.000 1.243 568 F CB -0.754 38.186 39.000 -0.100 0.000 0.996 568 F HN 0.030 nan 8.300 nan 0.000 0.483 569 K N -0.220 120.166 120.400 -0.024 0.000 1.991 569 K HA -0.113 4.209 4.320 0.002 0.000 0.207 569 K C 1.646 178.196 176.600 -0.083 0.000 1.045 569 K CA 1.147 57.435 56.287 0.000 0.000 0.937 569 K CB -0.157 32.388 32.500 0.074 0.000 0.720 569 K HN 0.113 nan 8.250 nan 0.000 0.438 570 L N 0.387 121.508 121.223 -0.170 0.000 2.529 570 L HA 0.173 4.514 4.340 0.002 0.000 0.223 570 L C 2.018 178.745 176.870 -0.238 0.000 1.113 570 L CA 0.731 55.466 54.840 -0.175 0.000 0.861 570 L CB -0.719 41.228 42.059 -0.186 0.000 1.012 570 L HN 0.126 nan 8.230 nan 0.000 0.461 571 A N 0.118 122.571 122.820 -0.612 0.000 1.972 571 A HA 0.155 4.476 4.320 0.002 0.000 0.219 571 A C 1.972 179.317 177.584 -0.398 0.000 1.169 571 A CA 1.372 52.923 52.037 -0.811 0.000 0.635 571 A CB -0.716 17.351 19.000 -1.554 0.000 0.810 571 A HN 0.550 nan 8.150 nan 0.000 0.446 572 G N -2.054 106.559 108.800 -0.312 0.000 2.136 572 G HA2 -0.244 3.717 3.960 0.002 0.000 0.242 572 G HA3 -0.244 3.717 3.960 0.002 0.000 0.242 572 G C 1.007 175.801 174.900 -0.177 0.000 0.989 572 G CA 0.959 45.963 45.100 -0.160 0.000 0.682 572 G HN 1.634 nan 8.290 nan 0.000 0.522 573 V N -2.980 116.739 119.914 -0.326 0.000 2.992 573 V HA 0.663 4.784 4.120 0.002 0.000 0.250 573 V C 1.035 177.001 176.094 -0.214 0.000 1.090 573 V CA 0.869 62.992 62.300 -0.295 0.000 1.101 573 V CB 0.128 31.600 31.823 -0.584 0.000 0.743 573 V HN 0.392 nan 8.190 nan 0.000 0.468 574 L N 1.402 122.495 121.223 -0.218 0.000 2.409 574 L HA 0.575 4.916 4.340 0.002 0.000 0.262 574 L C -2.676 174.157 176.870 -0.061 0.000 0.992 574 L CA -1.804 52.965 54.840 -0.118 0.000 0.817 574 L CB 2.782 44.777 42.059 -0.106 0.000 1.350 574 L HN 0.028 nan 8.230 nan 0.000 0.411 575 P HA 0.042 nan 4.420 nan 0.000 0.276 575 P C 0.757 178.092 177.300 0.057 0.000 1.235 575 P CA -0.249 62.874 63.100 0.038 0.000 0.772 575 P CB 0.832 32.554 31.700 0.037 0.000 0.871 576 F N 3.957 123.893 119.950 -0.024 0.000 2.068 576 F HA -0.337 4.191 4.527 0.002 0.000 0.289 576 F C 1.935 177.731 175.800 -0.007 0.000 1.089 576 F CA 2.324 60.314 58.000 -0.016 0.000 1.263 576 F CB -0.404 38.589 39.000 -0.012 0.000 0.955 576 F HN 0.416 nan 8.300 nan 0.000 0.501 577 E N -0.530 119.634 120.200 -0.060 0.000 2.110 577 E HA -0.259 4.092 4.350 0.002 0.000 0.193 577 E C 2.076 178.571 176.600 -0.174 0.000 0.988 577 E CA 1.434 57.739 56.400 -0.158 0.000 0.804 577 E CB -0.255 29.473 29.700 0.047 0.000 0.745 577 E HN 0.346 nan 8.360 nan 0.000 0.458 578 K N 1.266 121.607 120.400 -0.099 0.000 2.076 578 K HA -0.019 4.302 4.320 0.002 0.000 0.204 578 K C 1.901 178.455 176.600 -0.077 0.000 1.051 578 K CA 1.139 57.385 56.287 -0.067 0.000 0.949 578 K CB -0.227 32.258 32.500 -0.024 0.000 0.726 578 K HN 0.060 nan 8.250 nan 0.000 0.443 579 A N 0.399 123.167 122.820 -0.086 0.000 1.841 579 A HA -0.147 4.174 4.320 0.002 0.000 0.216 579 A C 2.219 179.713 177.584 -0.150 0.000 1.199 579 A CA 2.240 54.282 52.037 0.009 0.000 0.621 579 A CB -1.106 17.887 19.000 -0.012 0.000 0.835 579 A HN 0.115 nan 8.150 nan 0.000 0.445 580 V N 0.846 120.560 119.914 -0.334 0.000 2.720 580 V HA -0.209 3.912 4.120 0.002 0.000 0.256 580 V C 2.146 178.078 176.094 -0.271 0.000 1.082 580 V CA 2.271 64.353 62.300 -0.362 0.000 1.101 580 V CB -1.052 30.462 31.823 -0.515 0.000 0.693 580 V HN 0.756 nan 8.190 nan 0.000 0.479 581 D N 0.483 120.751 120.400 -0.220 0.000 2.087 581 D HA -0.148 4.493 4.640 0.002 0.000 0.201 581 D C 1.942 178.163 176.300 -0.133 0.000 0.980 581 D CA 1.127 55.041 54.000 -0.143 0.000 0.849 581 D CB -0.225 40.515 40.800 -0.101 0.000 1.001 581 D HN 0.133 nan 8.370 nan 0.000 0.452 582 L N 0.635 121.792 121.223 -0.110 0.000 2.103 582 L HA -0.162 4.179 4.340 0.002 0.000 0.215 582 L C 2.548 179.305 176.870 -0.190 0.000 1.080 582 L CA 1.272 56.061 54.840 -0.085 0.000 0.764 582 L CB -1.024 41.047 42.059 0.021 0.000 0.890 582 L HN 0.323 nan 8.230 nan 0.000 0.435 583 L N -1.093 119.893 121.223 -0.395 0.000 2.027 583 L HA -0.263 4.078 4.340 0.002 0.000 0.206 583 L C 2.542 179.261 176.870 -0.251 0.000 1.074 583 L CA 1.445 55.961 54.840 -0.541 0.000 0.745 583 L CB -0.188 41.418 42.059 -0.755 0.000 0.898 583 L HN 0.292 nan 8.230 nan 0.000 0.433 584 K N -0.421 119.875 120.400 -0.172 0.000 2.097 584 K HA -0.164 4.158 4.320 0.002 0.000 0.205 584 K C 2.042 178.665 176.600 0.039 0.000 1.050 584 K CA 1.016 57.267 56.287 -0.061 0.000 0.938 584 K CB 0.010 32.487 32.500 -0.039 0.000 0.718 584 K HN 0.267 nan 8.250 nan 0.000 0.442 585 K N 0.660 121.060 120.400 -0.000 0.000 2.103 585 K HA -0.132 4.189 4.320 0.002 0.000 0.207 585 K C 2.317 178.956 176.600 0.065 0.000 1.048 585 K CA 1.791 58.097 56.287 0.032 0.000 0.930 585 K CB -0.182 32.313 32.500 -0.009 0.000 0.716 585 K HN 0.212 nan 8.250 nan 0.000 0.444 586 S N 1.083 116.799 115.700 0.026 0.000 2.414 586 S HA -0.024 4.447 4.470 0.002 0.000 0.227 586 S C 2.037 176.693 174.600 0.094 0.000 1.022 586 S CA 0.329 58.555 58.200 0.044 0.000 0.958 586 S CB -0.252 62.958 63.200 0.017 0.000 0.797 586 S HN 0.086 nan 8.310 nan 0.000 0.493 587 I N 1.922 122.536 120.570 0.073 0.000 2.335 587 I HA -0.167 4.004 4.170 0.002 0.000 0.251 587 I C 2.252 178.414 176.117 0.075 0.000 1.129 587 I CA 1.631 62.979 61.300 0.080 0.000 1.402 587 I CB -1.369 36.554 38.000 -0.130 0.000 1.069 587 I HN 0.411 nan 8.210 nan 0.000 0.424 588 H N 0.215 119.331 119.070 0.075 0.000 2.384 588 H HA -0.010 4.548 4.556 0.002 0.000 0.300 588 H C 2.321 177.685 175.328 0.061 0.000 1.057 588 H CA 1.060 57.146 56.048 0.064 0.000 1.370 588 H CB 0.143 29.915 29.762 0.016 0.000 1.417 588 H HN 0.120 nan 8.280 nan 0.000 0.527 589 K N 0.879 121.370 120.400 0.153 0.000 1.969 589 K HA -0.052 4.269 4.320 0.002 0.000 0.216 589 K C 0.915 177.531 176.600 0.027 0.000 1.048 589 K CA 0.948 57.277 56.287 0.070 0.000 0.948 589 K CB -0.223 32.301 32.500 0.039 0.000 0.726 589 K HN 0.236 nan 8.250 nan 0.000 0.442 590 A N 0.073 122.889 122.820 -0.008 0.000 2.346 590 A HA 0.313 4.635 4.320 0.002 0.000 0.252 590 A C -0.704 176.809 177.584 -0.118 0.000 1.089 590 A CA -0.209 51.731 52.037 -0.163 0.000 0.797 590 A CB -0.260 18.577 19.000 -0.271 0.000 1.047 590 A HN 0.423 nan 8.150 nan 0.000 0.494 591 Y N -1.654 118.624 120.300 -0.037 0.000 2.499 591 Y HA -0.041 4.510 4.550 0.002 0.000 0.044 591 Y C 1.447 177.327 175.900 -0.033 0.000 1.695 591 Y CA 1.000 59.069 58.100 -0.052 0.000 1.424 591 Y CB -1.272 37.131 38.460 -0.095 0.000 2.069 591 Y HN 2.390 nan 8.280 nan 0.000 0.253 592 G N -0.785 108.097 108.800 0.136 0.000 2.132 592 G HA2 -0.280 3.681 3.960 0.002 0.000 0.228 592 G HA3 -0.280 3.681 3.960 0.002 0.000 0.228 592 G C 0.501 175.431 174.900 0.050 0.000 1.000 592 G CA 0.893 46.043 45.100 0.083 0.000 0.693 592 G HN 0.889 nan 8.290 nan 0.000 0.515 593 K N -0.057 120.376 120.400 0.056 0.000 2.558 593 K HA 0.417 4.738 4.320 0.002 0.000 0.191 593 K C 0.938 177.556 176.600 0.030 0.000 1.085 593 K CA 0.046 56.351 56.287 0.031 0.000 1.163 593 K CB 0.141 32.664 32.500 0.038 0.000 1.559 593 K HN 0.067 nan 8.250 nan 0.000 0.466 594 K N 1.844 122.265 120.400 0.035 0.000 2.278 594 K HA 0.110 4.431 4.320 0.002 0.000 0.289 594 K C 0.390 177.005 176.600 0.024 0.000 1.080 594 K CA 0.261 56.562 56.287 0.024 0.000 0.934 594 K CB 0.066 32.578 32.500 0.020 0.000 1.093 594 K HN 0.666 nan 8.250 nan 0.000 0.459 595 G N 3.072 111.884 108.800 0.021 0.000 2.448 595 G HA2 -0.332 3.629 3.960 0.002 0.000 0.904 595 G HA3 -0.332 3.629 3.960 0.002 0.000 0.904 595 G C 0.847 175.756 174.900 0.015 0.000 1.410 595 G CA 0.139 45.251 45.100 0.019 0.000 0.886 595 G HN 0.684 nan 8.290 nan 0.000 0.502 596 E N -0.078 120.128 120.200 0.010 0.000 2.046 596 E HA -0.089 4.262 4.350 0.002 0.000 0.190 596 E C 2.471 179.051 176.600 -0.033 0.000 0.982 596 E CA 1.221 57.620 56.400 -0.001 0.000 0.800 596 E CB -0.463 29.245 29.700 0.013 0.000 0.756 596 E HN 0.581 nan 8.360 nan 0.000 0.449 597 K N 0.681 121.065 120.400 -0.026 0.000 2.030 597 K HA -0.235 4.086 4.320 0.002 0.000 0.222 597 K C 2.115 178.673 176.600 -0.069 0.000 1.056 597 K CA 2.129 58.393 56.287 -0.039 0.000 0.957 597 K CB -0.264 32.220 32.500 -0.026 0.000 0.727 597 K HN -0.000 nan 8.250 nan 0.000 0.452 598 I N 1.069 121.601 120.570 -0.064 0.000 2.087 598 I HA -0.303 3.868 4.170 0.002 0.000 0.240 598 I C 2.537 178.527 176.117 -0.212 0.000 1.054 598 I CA 1.276 62.515 61.300 -0.101 0.000 1.311 598 I CB -1.435 36.546 38.000 -0.031 0.000 1.024 598 I HN 0.152 nan 8.210 nan 0.000 0.402 599 V N 1.484 121.277 119.914 -0.203 0.000 2.218 599 V HA -0.383 3.738 4.120 0.002 0.000 0.251 599 V C 2.657 178.564 176.094 -0.311 0.000 1.057 599 V CA 2.806 64.912 62.300 -0.324 0.000 1.022 599 V CB -1.024 30.634 31.823 -0.276 0.000 0.645 599 V HN 0.392 nan 8.190 nan 0.000 0.451 600 K N 0.313 120.599 120.400 -0.190 0.000 2.089 600 K HA -0.239 4.082 4.320 0.002 0.000 0.210 600 K C 2.108 178.625 176.600 -0.138 0.000 1.048 600 K CA 2.439 58.647 56.287 -0.131 0.000 0.926 600 K CB -0.704 31.756 32.500 -0.067 0.000 0.714 600 K HN 0.492 nan 8.250 nan 0.000 0.448 601 M N -0.050 119.465 119.600 -0.142 0.000 2.446 601 M HA -0.146 4.335 4.480 0.002 0.000 0.263 601 M C 0.598 176.798 176.300 -0.167 0.000 1.066 601 M CA 1.771 56.994 55.300 -0.129 0.000 1.087 601 M CB -0.158 32.375 32.600 -0.112 0.000 1.406 601 M HN 0.285 nan 8.290 nan 0.000 0.459 602 N N -1.201 117.349 118.700 -0.250 0.000 2.368 602 N HA -0.022 4.719 4.740 0.002 0.000 0.178 602 N C 1.380 176.757 175.510 -0.221 0.000 1.021 602 N CA 1.402 54.272 53.050 -0.300 0.000 0.875 602 N CB 0.002 38.155 38.487 -0.556 0.000 1.020 602 N HN 0.180 nan 8.380 nan 0.000 0.433 603 T N 1.055 115.484 114.554 -0.209 0.000 2.652 603 T HA -0.142 4.210 4.350 0.002 0.000 0.267 603 T C 0.931 175.573 174.700 -0.097 0.000 1.039 603 T CA 1.369 63.384 62.100 -0.141 0.000 1.153 603 T CB -0.411 68.390 68.868 -0.111 0.000 0.863 603 T HN 0.195 nan 8.240 nan 0.000 0.428 604 D N 1.154 121.502 120.400 -0.087 0.000 2.190 604 D HA -0.067 4.574 4.640 0.002 0.000 0.200 604 D C 2.228 178.493 176.300 -0.057 0.000 0.992 604 D CA 1.185 55.148 54.000 -0.061 0.000 0.854 604 D CB -0.401 40.365 40.800 -0.057 0.000 0.936 604 D HN 0.436 nan 8.370 nan 0.000 0.462 605 A N 0.475 123.249 122.820 -0.076 0.000 1.898 605 A HA -0.116 4.206 4.320 0.002 0.000 0.216 605 A C 2.535 180.089 177.584 -0.050 0.000 1.181 605 A CA 1.126 53.126 52.037 -0.063 0.000 0.620 605 A CB -0.627 18.324 19.000 -0.080 0.000 0.819 605 A HN 0.152 nan 8.150 nan 0.000 0.442 606 V N 0.612 120.486 119.914 -0.066 0.000 2.295 606 V HA -0.264 3.857 4.120 0.002 0.000 0.246 606 V C 2.216 178.291 176.094 -0.031 0.000 1.049 606 V CA 2.301 64.567 62.300 -0.058 0.000 1.024 606 V CB -0.934 30.834 31.823 -0.092 0.000 0.648 606 V HN 0.462 nan 8.190 nan 0.000 0.447 607 D N -0.233 120.149 120.400 -0.030 0.000 2.095 607 D HA -0.227 4.414 4.640 0.002 0.000 0.192 607 D C 2.239 178.545 176.300 0.010 0.000 0.990 607 D CA 1.798 55.794 54.000 -0.005 0.000 0.836 607 D CB -0.372 40.422 40.800 -0.010 0.000 0.979 607 D HN 0.467 nan 8.370 nan 0.000 0.447 608 Q N -0.184 119.616 119.800 -0.001 0.000 2.226 608 Q HA -0.118 4.223 4.340 0.002 0.000 0.204 608 Q C 1.909 177.917 176.000 0.015 0.000 0.975 608 Q CA 1.338 57.145 55.803 0.006 0.000 0.866 608 Q CB -0.057 28.678 28.738 -0.005 0.000 0.915 608 Q HN 0.254 nan 8.270 nan 0.000 0.440 609 A N -0.418 122.409 122.820 0.010 0.000 1.877 609 A HA -0.160 4.161 4.320 0.002 0.000 0.216 609 A C 2.153 179.765 177.584 0.046 0.000 1.186 609 A CA 1.597 53.648 52.037 0.022 0.000 0.620 609 A CB -0.752 18.258 19.000 0.016 0.000 0.822 609 A HN 0.292 nan 8.150 nan 0.000 0.443 610 V N -0.091 119.857 119.914 0.055 0.000 2.515 610 V HA -0.199 3.922 4.120 0.002 0.000 0.250 610 V C 2.693 178.844 176.094 0.093 0.000 1.058 610 V CA 2.364 64.722 62.300 0.097 0.000 1.064 610 V CB -1.116 30.786 31.823 0.132 0.000 0.675 610 V HN 0.642 nan 8.190 nan 0.000 0.461 611 T N -0.421 114.173 114.554 0.065 0.000 2.812 611 T HA -0.114 4.237 4.350 0.002 0.000 0.264 611 T C 1.894 176.621 174.700 0.045 0.000 1.042 611 T CA 1.696 63.826 62.100 0.050 0.000 1.140 611 T CB -0.189 68.698 68.868 0.033 0.000 0.870 611 T HN 0.501 nan 8.240 nan 0.000 0.445 612 S N 0.921 116.647 115.700 0.043 0.000 2.603 612 S HA 0.190 4.661 4.470 0.002 0.000 0.220 612 S C 0.477 175.117 174.600 0.067 0.000 0.967 612 S CA -0.044 58.180 58.200 0.041 0.000 0.920 612 S CB -0.127 63.089 63.200 0.026 0.000 0.773 612 S HN 0.116 nan 8.310 nan 0.000 0.529 613 L N 3.681 124.958 121.223 0.089 0.000 2.399 613 L HA 0.345 4.686 4.340 0.002 0.000 0.257 613 L C -0.205 176.806 176.870 0.233 0.000 1.236 613 L CA 0.325 55.250 54.840 0.142 0.000 1.144 613 L CB -0.640 41.477 42.059 0.097 0.000 1.379 613 L HN 0.123 nan 8.230 nan 0.000 0.414 614 Q N 0.845 120.783 119.800 0.230 0.000 2.399 614 Q HA 0.316 4.657 4.340 0.002 0.000 0.276 614 Q C -0.458 175.593 176.000 0.086 0.000 1.098 614 Q CA -0.814 55.109 55.803 0.200 0.000 0.827 614 Q CB 1.804 30.581 28.738 0.064 0.000 1.386 614 Q HN 0.298 nan 8.270 nan 0.000 0.443 615 E N 1.102 121.214 120.200 -0.146 0.000 2.480 615 E HA -0.020 4.331 4.350 0.002 0.000 0.258 615 E C -1.054 175.414 176.600 -0.219 0.000 0.984 615 E CA 0.013 56.134 56.400 -0.464 0.000 0.930 615 E CB 0.323 29.791 29.700 -0.386 0.000 0.936 615 E HN 0.348 nan 8.360 nan 0.000 0.466 616 F N 4.982 124.732 119.950 -0.332 0.000 2.444 616 F HA 0.225 4.753 4.527 0.002 0.000 0.360 616 F C -0.067 175.663 175.800 -0.115 0.000 1.106 616 F CA -0.575 57.289 58.000 -0.226 0.000 1.170 616 F CB 0.470 39.236 39.000 -0.391 0.000 1.113 616 F HN 0.202 nan 8.300 nan 0.000 0.521 617 K N 6.478 126.589 120.400 -0.482 0.000 2.205 617 K HA 0.325 4.646 4.320 0.002 0.000 0.279 617 K C -1.610 174.688 176.600 -0.504 0.000 1.027 617 K CA -0.266 55.744 56.287 -0.463 0.000 0.932 617 K CB 0.362 32.611 32.500 -0.418 0.000 1.032 617 K HN 0.594 nan 8.250 nan 0.000 0.466 618 Y N 1.315 121.392 120.300 -0.373 0.000 2.545 618 Y HA 0.623 5.174 4.550 0.002 0.000 0.348 618 Y C -2.513 173.094 175.900 -0.488 0.000 1.002 618 Y CA -3.081 54.665 58.100 -0.589 0.000 1.039 618 Y CB 0.165 37.979 38.460 -1.077 0.000 1.271 618 Y HN 0.484 nan 8.280 nan 0.000 0.467 619 P HA -0.033 nan 4.420 nan 0.000 0.265 619 P C 0.141 177.446 177.300 0.010 0.000 1.193 619 P CA 0.201 63.219 63.100 -0.137 0.000 0.765 619 P CB 1.289 32.958 31.700 -0.053 0.000 0.823 620 D N 1.442 121.871 120.400 0.048 0.000 2.221 620 D HA -0.155 4.486 4.640 0.002 0.000 0.204 620 D C 1.767 178.176 176.300 0.181 0.000 0.982 620 D CA 1.368 55.438 54.000 0.117 0.000 0.857 620 D CB 0.144 40.984 40.800 0.066 0.000 0.934 620 D HN 0.434 nan 8.370 nan 0.000 0.475 621 S N -0.238 115.570 115.700 0.180 0.000 2.400 621 S HA -0.222 4.250 4.470 0.002 0.000 0.234 621 S C 1.772 176.572 174.600 0.333 0.000 1.049 621 S CA 1.276 59.611 58.200 0.225 0.000 1.039 621 S CB -0.671 62.667 63.200 0.232 0.000 0.856 621 S HN 0.359 nan 8.310 nan 0.000 0.465 622 W N 1.790 123.147 121.300 0.095 0.000 2.325 622 W HA -0.001 4.660 4.660 0.002 0.000 0.299 622 W C 2.472 179.009 176.519 0.030 0.000 1.215 622 W CA 0.856 58.234 57.345 0.055 0.000 1.244 622 W CB -0.907 28.580 29.460 0.046 0.000 1.140 622 W HN 0.397 nan 8.180 nan 0.000 0.523 623 K N -0.294 120.268 120.400 0.270 0.000 2.228 623 K HA -0.205 4.116 4.320 0.002 0.000 0.205 623 K C -0.105 176.553 176.600 0.097 0.000 1.045 623 K CA 1.781 58.162 56.287 0.157 0.000 0.931 623 K CB -0.453 32.128 32.500 0.135 0.000 0.727 623 K HN 0.338 nan 8.250 nan 0.000 0.458 624 D N -1.813 118.645 120.400 0.096 0.000 2.997 624 D HA 0.213 4.854 4.640 0.002 0.000 0.362 624 D C -0.850 175.472 176.300 0.037 0.000 1.298 624 D CA -0.461 53.569 54.000 0.051 0.000 0.756 624 D CB 0.629 41.455 40.800 0.044 0.000 1.216 624 D HN 0.020 nan 8.370 nan 0.000 0.496 625 A N 1.625 124.455 122.820 0.017 0.000 2.425 625 A HA 0.616 4.937 4.320 0.002 0.000 0.249 625 A C -2.427 175.127 177.584 -0.050 0.000 1.084 625 A CA -0.748 51.270 52.037 -0.031 0.000 0.781 625 A CB 0.219 19.133 19.000 -0.143 0.000 1.019 625 A HN 0.316 nan 8.150 nan 0.000 0.490 626 P HA 0.554 nan 4.420 nan 0.000 0.319 626 P C -0.435 176.831 177.300 -0.058 0.000 1.523 626 P CA 0.028 63.100 63.100 -0.047 0.000 1.207 626 P CB 1.719 33.404 31.700 -0.025 0.000 1.493 627 A N 2.300 125.084 122.820 -0.060 0.000 2.677 627 A HA -0.093 4.228 4.320 0.002 0.000 0.250 627 A C 0.465 178.011 177.584 -0.064 0.000 1.832 627 A CA 1.275 53.275 52.037 -0.061 0.000 1.995 627 A CB -0.824 18.148 19.000 -0.047 0.000 1.247 627 A HN 0.768 nan 8.150 nan 0.000 0.547 628 E N -0.044 120.117 120.200 -0.066 0.000 2.334 628 E HA 0.726 5.077 4.350 0.002 0.000 0.256 628 E C 0.006 176.575 176.600 -0.052 0.000 0.958 628 E CA -0.261 56.100 56.400 -0.064 0.000 0.821 628 E CB 1.392 31.046 29.700 -0.077 0.000 1.269 628 E HN 1.142 nan 8.360 nan 0.000 0.413 629 T N -0.673 113.851 114.554 -0.050 0.000 2.867 629 T HA 0.413 4.764 4.350 0.002 0.000 0.282 629 T C -0.581 174.096 174.700 -0.039 0.000 1.000 629 T CA -1.073 61.003 62.100 -0.041 0.000 1.042 629 T CB 0.890 69.736 68.868 -0.037 0.000 0.973 629 T HN 0.506 nan 8.240 nan 0.000 0.465 630 K N 2.477 122.856 120.400 -0.034 0.000 2.220 630 K HA 0.591 4.912 4.320 0.002 0.000 0.283 630 K C 0.211 176.794 176.600 -0.027 0.000 1.098 630 K CA -0.581 55.687 56.287 -0.031 0.000 0.928 630 K CB 0.354 32.836 32.500 -0.029 0.000 1.214 630 K HN 0.598 nan 8.250 nan 0.000 0.442 631 A N 3.835 126.639 122.820 -0.026 0.000 3.063 631 A HA 0.109 4.430 4.320 0.002 0.000 0.263 631 A C -0.543 177.029 177.584 -0.020 0.000 1.736 631 A CA -0.678 51.346 52.037 -0.022 0.000 1.408 631 A CB -0.843 18.144 19.000 -0.021 0.000 1.108 631 A HN 0.812 nan 8.150 nan 0.000 0.621 632 E N 1.525 121.712 120.200 -0.022 0.000 2.191 632 E HA 0.682 5.033 4.350 0.002 0.000 0.278 632 E C -2.301 174.281 176.600 -0.029 0.000 0.972 632 E CA -1.655 54.730 56.400 -0.025 0.000 0.804 632 E CB 0.827 30.511 29.700 -0.026 0.000 1.110 632 E HN 0.338 nan 8.360 nan 0.000 0.394 633 P HA 0.282 nan 4.420 nan 0.000 0.287 633 P C -0.927 176.334 177.300 -0.065 0.000 1.296 633 P CA -0.891 62.188 63.100 -0.035 0.000 0.811 633 P CB 0.635 32.321 31.700 -0.022 0.000 1.211 634 M N 0.445 120.015 119.600 -0.051 0.000 2.217 634 M HA 0.358 4.839 4.480 0.002 0.000 0.354 634 M C -0.318 175.848 176.300 -0.223 0.000 1.225 634 M CA 0.678 55.920 55.300 -0.096 0.000 1.137 634 M CB -0.168 32.407 32.600 -0.043 0.000 1.576 634 M HN 0.417 nan 8.290 nan 0.000 0.461 635 T N 3.956 118.250 114.554 -0.433 0.000 2.900 635 T HA 0.536 4.887 4.350 0.002 0.000 0.303 635 T C -0.478 173.790 174.700 -0.721 0.000 1.142 635 T CA -0.864 60.612 62.100 -1.039 0.000 1.007 635 T CB 0.866 69.281 68.868 -0.755 0.000 1.156 635 T HN 0.772 nan 8.240 nan 0.000 0.490 636 N N 2.420 120.608 118.700 -0.853 0.000 2.297 636 N HA 0.024 4.765 4.740 0.002 0.000 0.232 636 N C 1.541 177.027 175.510 -0.041 0.000 1.311 636 N CA -0.192 52.718 53.050 -0.234 0.000 0.897 636 N CB 0.470 38.967 38.487 0.016 0.000 1.137 636 N HN 0.794 nan 8.380 nan 0.000 0.449 637 E N 0.368 120.585 120.200 0.028 0.000 2.204 637 E HA -0.207 4.144 4.350 0.002 0.000 0.195 637 E C 1.358 178.024 176.600 0.109 0.000 0.990 637 E CA 1.245 57.673 56.400 0.046 0.000 0.821 637 E CB -0.389 29.340 29.700 0.048 0.000 0.750 637 E HN 0.632 nan 8.360 nan 0.000 0.477 638 F N 0.240 120.190 119.950 -0.001 0.000 2.262 638 F HA 0.100 4.628 4.527 0.002 0.000 0.292 638 F C 2.065 177.891 175.800 0.043 0.000 1.081 638 F CA 0.412 58.417 58.000 0.008 0.000 1.355 638 F CB -0.245 38.774 39.000 0.031 0.000 1.069 638 F HN -0.035 nan 8.300 nan 0.000 0.506 639 F N 1.371 121.363 119.950 0.071 0.000 2.102 639 F HA -0.151 4.377 4.527 0.002 0.000 0.298 639 F C 2.445 178.169 175.800 -0.127 0.000 1.105 639 F CA 2.091 60.080 58.000 -0.020 0.000 1.239 639 F CB -0.522 38.427 39.000 -0.086 0.000 0.991 639 F HN -0.136 nan 8.300 nan 0.000 0.474 640 K N 0.416 120.906 120.400 0.151 0.000 2.044 640 K HA -0.218 4.103 4.320 0.002 0.000 0.210 640 K C 1.626 178.176 176.600 -0.084 0.000 1.049 640 K CA 2.145 58.457 56.287 0.042 0.000 0.927 640 K CB -0.264 32.236 32.500 -0.000 0.000 0.713 640 K HN 0.215 nan 8.250 nan 0.000 0.443 641 N N -1.155 117.457 118.700 -0.147 0.000 2.424 641 N HA 0.002 4.743 4.740 0.002 0.000 0.178 641 N C 0.911 176.207 175.510 -0.357 0.000 1.060 641 N CA 0.746 53.666 53.050 -0.217 0.000 0.901 641 N CB 0.846 39.229 38.487 -0.173 0.000 0.979 641 N HN 0.054 nan 8.380 nan 0.000 0.451 642 V N -0.969 118.615 119.914 -0.550 0.000 3.261 642 V HA 0.053 4.175 4.120 0.002 0.000 0.212 642 V C 1.844 177.653 176.094 -0.475 0.000 1.381 642 V CA 0.321 62.250 62.300 -0.619 0.000 1.322 642 V CB -0.059 31.117 31.823 -1.079 0.000 1.188 642 V HN 0.037 nan 8.190 nan 0.000 0.520 643 V N 0.384 119.948 119.914 -0.585 0.000 2.667 643 V HA -0.121 4.000 4.120 0.002 0.000 0.252 643 V C 2.118 177.858 176.094 -0.590 0.000 1.065 643 V CA 2.801 64.828 62.300 -0.455 0.000 1.083 643 V CB -0.275 31.364 31.823 -0.305 0.000 0.692 643 V HN 0.562 nan 8.190 nan 0.000 0.468 644 K N 0.340 120.326 120.400 -0.690 0.000 2.044 644 K HA 0.023 4.345 4.320 0.002 0.000 0.204 644 K C -0.024 176.457 176.600 -0.198 0.000 1.049 644 K CA 1.403 57.429 56.287 -0.436 0.000 0.945 644 K CB -0.940 31.442 32.500 -0.197 0.000 0.724 644 K HN 0.452 nan 8.250 nan 0.000 0.440 645 P HA -0.165 nan 4.420 nan 0.000 0.216 645 P C 1.021 178.293 177.300 -0.046 0.000 1.153 645 P CA 1.347 64.391 63.100 -0.093 0.000 0.858 645 P CB 0.063 31.698 31.700 -0.109 0.000 0.789 646 I N -1.498 119.038 120.570 -0.056 0.000 2.202 646 I HA -0.199 3.972 4.170 0.002 0.000 0.242 646 I C 2.164 178.297 176.117 0.027 0.000 1.091 646 I CA 1.241 62.545 61.300 0.007 0.000 1.368 646 I CB -0.715 37.304 38.000 0.032 0.000 1.058 646 I HN -0.142 nan 8.210 nan 0.000 0.410 647 L N 0.328 121.548 121.223 -0.005 0.000 2.265 647 L HA -0.152 4.189 4.340 0.002 0.000 0.215 647 L C 1.956 178.899 176.870 0.122 0.000 1.117 647 L CA 1.484 56.354 54.840 0.050 0.000 0.782 647 L CB -1.000 41.061 42.059 0.004 0.000 0.914 647 L HN 0.437 nan 8.230 nan 0.000 0.441 648 T N -4.068 110.527 114.554 0.068 0.000 3.251 648 T HA 0.124 4.475 4.350 0.002 0.000 0.259 648 T C 0.508 175.344 174.700 0.226 0.000 0.998 648 T CA -0.471 61.684 62.100 0.091 0.000 0.905 648 T CB 0.285 69.122 68.868 -0.051 0.000 1.067 648 T HN 0.260 nan 8.240 nan 0.000 0.569 649 Q N 0.704 120.634 119.800 0.216 0.000 2.487 649 Q HA -0.150 4.191 4.340 0.002 0.000 0.279 649 Q C -0.459 175.607 176.000 0.109 0.000 1.228 649 Q CA 0.760 56.662 55.803 0.165 0.000 0.873 649 Q CB -2.261 26.614 28.738 0.228 0.000 1.260 649 Q HN 0.745 nan 8.270 nan 0.000 0.471 650 Q N -1.460 118.383 119.800 0.072 0.000 2.333 650 Q HA 0.344 4.685 4.340 0.002 0.000 0.365 650 Q C 1.168 177.191 176.000 0.038 0.000 0.882 650 Q CA 0.561 56.392 55.803 0.048 0.000 1.124 650 Q CB 0.997 29.752 28.738 0.029 0.000 1.345 650 Q HN 0.374 nan 8.270 nan 0.000 0.409 651 G N 0.240 109.070 108.800 0.051 0.000 2.662 651 G HA2 -0.102 3.859 3.960 0.002 0.000 0.212 651 G HA3 -0.102 3.859 3.960 0.002 0.000 0.212 651 G C 0.726 175.686 174.900 0.100 0.000 1.141 651 G CA 0.139 45.289 45.100 0.083 0.000 0.797 651 G HN 0.236 nan 8.290 nan 0.000 0.531 652 D N 0.612 121.046 120.400 0.057 0.000 2.219 652 D HA -0.011 4.630 4.640 0.002 0.000 0.205 652 D C 2.269 178.608 176.300 0.066 0.000 0.970 652 D CA 0.706 54.736 54.000 0.050 0.000 0.851 652 D CB 0.091 40.906 40.800 0.026 0.000 0.943 652 D HN 0.226 nan 8.370 nan 0.000 0.488 653 K N -0.213 120.220 120.400 0.055 0.000 2.283 653 K HA -0.027 4.294 4.320 0.002 0.000 0.202 653 K C -0.091 176.536 176.600 0.044 0.000 1.048 653 K CA 0.135 56.447 56.287 0.041 0.000 0.948 653 K CB 0.146 32.659 32.500 0.022 0.000 0.742 653 K HN 0.067 nan 8.250 nan 0.000 0.458 654 L N 2.750 124.017 121.223 0.073 0.000 2.462 654 L HA 0.062 4.404 4.340 0.002 0.000 0.272 654 L C -1.721 175.233 176.870 0.139 0.000 1.166 654 L CA -1.927 52.941 54.840 0.045 0.000 0.880 654 L CB -0.109 41.981 42.059 0.052 0.000 1.142 654 L HN 0.049 nan 8.230 nan 0.000 0.473 655 P HA 0.082 nan 4.420 nan 0.000 0.279 655 P C 1.035 178.437 177.300 0.172 0.000 1.282 655 P CA -0.377 62.777 63.100 0.089 0.000 0.788 655 P CB 0.956 32.668 31.700 0.021 0.000 1.139 656 V N -1.356 118.658 119.914 0.165 0.000 2.759 656 V HA -0.146 3.975 4.120 0.002 0.000 0.256 656 V C 2.046 178.235 176.094 0.157 0.000 1.080 656 V CA 2.276 64.719 62.300 0.239 0.000 1.101 656 V CB -1.941 29.959 31.823 0.128 0.000 0.698 656 V HN 0.632 nan 8.190 nan 0.000 0.477 657 S N 1.040 116.761 115.700 0.036 0.000 2.507 657 S HA 0.157 4.628 4.470 0.002 0.000 0.235 657 S C 1.925 176.452 174.600 -0.122 0.000 0.988 657 S CA 1.004 59.190 58.200 -0.024 0.000 0.944 657 S CB -0.439 62.741 63.200 -0.032 0.000 0.762 657 S HN 1.094 nan 8.310 nan 0.000 0.526 658 A N 0.361 123.006 122.820 -0.292 0.000 2.119 658 A HA 0.426 4.747 4.320 0.002 0.000 0.216 658 A C 0.309 177.483 177.584 -0.683 0.000 1.152 658 A CA 0.092 51.785 52.037 -0.574 0.000 0.708 658 A CB -0.338 18.129 19.000 -0.888 0.000 0.805 658 A HN 0.489 nan 8.150 nan 0.000 0.460 659 F N 0.080 120.012 119.950 -0.031 0.000 2.492 659 F HA 0.422 4.950 4.527 0.002 0.000 0.327 659 F C 0.410 176.184 175.800 -0.043 0.000 1.079 659 F CA -1.188 56.789 58.000 -0.038 0.000 0.967 659 F CB 0.924 39.909 39.000 -0.026 0.000 1.169 659 F HN -0.061 nan 8.300 nan 0.000 0.472 660 E N 1.137 121.411 120.200 0.124 0.000 2.344 660 E HA 0.174 4.525 4.350 0.002 0.000 0.270 660 E C 0.845 177.484 176.600 0.066 0.000 1.021 660 E CA 0.108 56.546 56.400 0.062 0.000 0.887 660 E CB 1.507 31.226 29.700 0.031 0.000 0.997 660 E HN 0.833 nan 8.360 nan 0.000 0.429 661 A N 4.433 127.278 122.820 0.043 0.000 1.915 661 A HA -0.255 4.067 4.320 0.002 0.000 0.220 661 A C 1.371 178.980 177.584 0.041 0.000 1.198 661 A CA 2.328 54.382 52.037 0.029 0.000 0.647 661 A CB -0.338 18.678 19.000 0.026 0.000 0.825 661 A HN 0.657 nan 8.150 nan 0.000 0.456 662 D N -1.960 118.484 120.400 0.073 0.000 2.325 662 D HA 0.300 4.941 4.640 0.002 0.000 0.225 662 D C 1.072 177.480 176.300 0.180 0.000 1.096 662 D CA 0.705 54.773 54.000 0.114 0.000 0.844 662 D CB -0.929 39.932 40.800 0.101 0.000 0.925 662 D HN 0.907 nan 8.370 nan 0.000 0.513 663 G N 1.531 110.437 108.800 0.176 0.000 2.187 663 G HA2 -0.386 3.575 3.960 0.002 0.000 0.261 663 G HA3 -0.386 3.575 3.960 0.002 0.000 0.261 663 G C 0.391 175.512 174.900 0.368 0.000 1.000 663 G CA 0.429 45.708 45.100 0.299 0.000 0.718 663 G HN 0.772 nan 8.290 nan 0.000 0.519 664 R N -1.615 119.035 120.500 0.250 0.000 2.726 664 R HA 0.738 5.079 4.340 0.002 0.000 0.272 664 R C -0.630 175.834 176.300 0.273 0.000 1.097 664 R CA -0.289 55.971 56.100 0.266 0.000 1.198 664 R CB 0.567 30.955 30.300 0.147 0.000 1.114 664 R HN 0.140 nan 8.270 nan 0.000 0.550 665 F N -0.222 119.786 119.950 0.097 0.000 2.588 665 F HA 0.472 5.000 4.527 0.002 0.000 0.310 665 F C -2.019 173.764 175.800 -0.029 0.000 1.082 665 F CA -2.251 55.783 58.000 0.057 0.000 0.929 665 F CB 2.092 41.167 39.000 0.126 0.000 1.254 665 F HN 0.589 nan 8.300 nan 0.000 0.455 666 P HA 0.433 nan 4.420 nan 0.000 0.279 666 P C -0.900 176.434 177.300 0.057 0.000 1.252 666 P CA -0.391 62.654 63.100 -0.091 0.000 0.811 666 P CB 1.330 32.824 31.700 -0.343 0.000 1.035 667 L N 0.270 121.530 121.223 0.063 0.000 2.505 667 L HA 0.392 4.733 4.340 0.002 0.000 0.226 667 L C 1.900 178.845 176.870 0.126 0.000 1.211 667 L CA 0.861 55.764 54.840 0.104 0.000 0.828 667 L CB -1.112 41.002 42.059 0.092 0.000 1.331 667 L HN 0.796 nan 8.230 nan 0.000 0.513 668 G N -1.046 107.824 108.800 0.118 0.000 2.337 668 G HA2 -0.341 3.620 3.960 0.002 0.000 0.290 668 G HA3 -0.341 3.620 3.960 0.002 0.000 0.290 668 G C 0.889 175.896 174.900 0.179 0.000 1.003 668 G CA 0.950 46.112 45.100 0.104 0.000 0.825 668 G HN 0.880 nan 8.290 nan 0.000 0.509 669 T N -2.382 112.345 114.554 0.288 0.000 3.085 669 T HA 0.071 4.422 4.350 0.002 0.000 0.263 669 T C 2.572 177.536 174.700 0.440 0.000 1.127 669 T CA 1.553 63.949 62.100 0.492 0.000 1.103 669 T CB -0.250 68.955 68.868 0.562 0.000 0.921 669 T HN 1.075 nan 8.240 nan 0.000 0.510 670 S N 1.806 117.670 115.700 0.273 0.000 2.382 670 S HA -0.190 4.281 4.470 0.002 0.000 0.228 670 S C 2.100 176.852 174.600 0.254 0.000 1.027 670 S CA 0.458 58.828 58.200 0.282 0.000 0.991 670 S CB -0.548 62.804 63.200 0.254 0.000 0.823 670 S HN 0.412 nan 8.310 nan 0.000 0.469 671 Q N 1.102 120.945 119.800 0.072 0.000 2.096 671 Q HA -0.100 4.241 4.340 0.002 0.000 0.208 671 Q C 1.601 177.319 176.000 -0.470 0.000 0.993 671 Q CA 1.446 57.133 55.803 -0.193 0.000 0.862 671 Q CB -0.789 27.624 28.738 -0.542 0.000 0.915 671 Q HN 0.763 nan 8.270 nan 0.000 0.416 672 F N 0.616 120.537 119.950 -0.048 0.000 2.804 672 F HA 0.100 4.628 4.527 0.002 0.000 0.303 672 F C 1.952 177.632 175.800 -0.200 0.000 1.154 672 F CA 0.047 57.818 58.000 -0.383 0.000 1.401 672 F CB -0.173 38.090 39.000 -1.229 0.000 1.106 672 F HN 0.091 nan 8.300 nan 0.000 0.568 673 E N 0.919 121.219 120.200 0.166 0.000 2.051 673 E HA -0.071 4.280 4.350 0.002 0.000 0.189 673 E C 0.595 177.243 176.600 0.081 0.000 0.979 673 E CA 0.243 56.785 56.400 0.238 0.000 0.803 673 E CB 0.085 29.928 29.700 0.237 0.000 0.761 673 E HN 0.025 nan 8.360 nan 0.000 0.451 674 K N 0.961 121.322 120.400 -0.065 0.000 3.602 674 K HA -0.301 4.020 4.320 0.002 0.000 0.274 674 K C 0.365 176.947 176.600 -0.030 0.000 0.864 674 K CA 0.560 56.779 56.287 -0.112 0.000 0.682 674 K CB -1.237 31.200 32.500 -0.106 0.000 1.576 674 K HN 0.286 nan 8.250 nan 0.000 0.447 675 R N 0.502 120.999 120.500 -0.005 0.000 2.103 675 R HA -0.137 4.204 4.340 0.002 0.000 0.242 675 R C 1.333 177.651 176.300 0.030 0.000 1.142 675 R CA 1.277 57.401 56.100 0.040 0.000 0.960 675 R CB -0.257 30.074 30.300 0.051 0.000 0.858 675 R HN 0.704 nan 8.270 nan 0.000 0.439 676 G N 0.715 109.510 108.800 -0.008 0.000 2.370 676 G HA2 -0.191 3.770 3.960 0.002 0.000 0.295 676 G HA3 -0.191 3.770 3.960 0.002 0.000 0.295 676 G C 0.338 175.251 174.900 0.022 0.000 1.045 676 G CA 0.370 45.467 45.100 -0.005 0.000 1.199 676 G HN 0.425 nan 8.290 nan 0.000 0.513 677 V N -2.010 117.913 119.914 0.015 0.000 3.528 677 V HA 0.779 4.900 4.120 0.002 0.000 0.294 677 V C 1.385 177.489 176.094 0.015 0.000 1.404 677 V CA 0.918 63.238 62.300 0.033 0.000 1.065 677 V CB 0.104 31.960 31.823 0.056 0.000 0.904 677 V HN 1.864 nan 8.190 nan 0.000 0.435 678 A N 0.646 123.464 122.820 -0.003 0.000 2.483 678 A HA 0.505 4.826 4.320 0.002 0.000 0.238 678 A C 1.185 178.776 177.584 0.011 0.000 1.070 678 A CA 0.066 52.101 52.037 -0.004 0.000 0.770 678 A CB 0.191 19.184 19.000 -0.011 0.000 1.008 678 A HN 0.273 nan 8.150 nan 0.000 0.497 679 I N 0.573 121.151 120.570 0.013 0.000 2.364 679 I HA -0.007 4.164 4.170 0.002 0.000 0.241 679 I C 0.468 176.595 176.117 0.017 0.000 1.082 679 I CA 1.050 62.361 61.300 0.017 0.000 1.401 679 I CB -0.958 37.051 38.000 0.016 0.000 1.126 679 I HN 0.579 nan 8.210 nan 0.000 0.429 680 N N 1.321 120.031 118.700 0.017 0.000 2.361 680 N HA 0.430 5.171 4.740 0.002 0.000 0.302 680 N C -0.635 174.886 175.510 0.019 0.000 1.074 680 N CA -0.248 52.813 53.050 0.019 0.000 0.850 680 N CB 2.931 41.431 38.487 0.020 0.000 1.228 680 N HN -0.128 nan 8.380 nan 0.000 0.491 681 V N -0.614 119.313 119.914 0.022 0.000 2.540 681 V HA 0.587 4.708 4.120 0.002 0.000 0.302 681 V C -2.409 173.705 176.094 0.034 0.000 1.035 681 V CA -2.326 59.988 62.300 0.023 0.000 0.873 681 V CB 1.947 33.781 31.823 0.018 0.000 0.992 681 V HN 0.508 nan 8.190 nan 0.000 0.428 682 P HA 0.103 nan 4.420 nan 0.000 0.268 682 P C -0.937 176.406 177.300 0.072 0.000 1.204 682 P CA 0.204 63.337 63.100 0.055 0.000 0.768 682 P CB 1.020 32.753 31.700 0.055 0.000 0.842 683 Q N 3.406 123.262 119.800 0.092 0.000 2.312 683 Q HA 0.217 4.558 4.340 0.002 0.000 0.263 683 Q C -1.248 174.872 176.000 0.200 0.000 0.995 683 Q CA -0.720 55.153 55.803 0.118 0.000 0.853 683 Q CB 1.120 29.908 28.738 0.083 0.000 1.300 683 Q HN 0.406 nan 8.270 nan 0.000 0.448 684 W N 3.428 124.728 121.300 -0.001 0.000 2.184 684 W HA 0.342 5.003 4.660 0.002 0.000 0.338 684 W C -0.829 175.692 176.519 0.004 0.000 1.257 684 W CA -0.321 57.026 57.345 0.002 0.000 1.243 684 W CB 0.785 30.241 29.460 -0.007 0.000 1.122 684 W HN 0.343 nan 8.180 nan 0.000 0.585 685 V N 8.078 127.746 119.914 -0.409 0.000 2.454 685 V HA 0.084 4.205 4.120 0.002 0.000 0.267 685 V C -1.697 173.813 176.094 -0.974 0.000 0.993 685 V CA -1.193 60.822 62.300 -0.474 0.000 0.836 685 V CB 1.281 32.978 31.823 -0.211 0.000 1.055 685 V HN 0.427 nan 8.190 nan 0.000 0.452 686 P HA -0.196 nan 4.420 nan 0.000 0.216 686 P C 1.181 178.122 177.300 -0.597 0.000 1.154 686 P CA 1.370 63.674 63.100 -1.327 0.000 0.865 686 P CB 0.282 31.510 31.700 -0.787 0.000 0.789 687 E N -1.344 118.627 120.200 -0.381 0.000 2.515 687 E HA -0.109 4.242 4.350 0.002 0.000 0.201 687 E C 1.031 177.530 176.600 -0.168 0.000 1.071 687 E CA 0.893 57.167 56.400 -0.210 0.000 0.880 687 E CB -0.847 28.764 29.700 -0.148 0.000 0.828 687 E HN 0.446 nan 8.360 nan 0.000 0.540 688 N N -0.991 117.585 118.700 -0.207 0.000 2.239 688 N HA 0.084 4.825 4.740 0.002 0.000 0.208 688 N C -0.572 174.901 175.510 -0.062 0.000 1.200 688 N CA -0.278 52.703 53.050 -0.114 0.000 0.895 688 N CB 0.739 39.169 38.487 -0.095 0.000 1.085 688 N HN 0.067 nan 8.380 nan 0.000 0.500 689 C N 2.438 121.692 119.300 -0.076 0.000 2.648 689 C HA 0.176 4.637 4.460 0.002 0.000 0.415 689 C C 1.767 176.789 174.990 0.052 0.000 1.366 689 C CA -0.462 58.626 59.018 0.116 0.000 1.756 689 C CB -1.288 26.700 27.740 0.413 0.000 2.549 689 C HN 0.468 nan 8.230 nan 0.000 0.597 690 I N 2.312 122.901 120.570 0.032 0.000 3.806 690 I HA 0.226 4.397 4.170 0.002 0.000 0.321 690 I C 0.617 176.681 176.117 -0.089 0.000 1.315 690 I CA -0.065 61.220 61.300 -0.025 0.000 1.148 690 I CB -0.839 37.147 38.000 -0.023 0.000 1.028 690 I HN 0.820 nan 8.210 nan 0.000 0.415 691 Q N 1.319 121.038 119.800 -0.134 0.000 2.409 691 Q HA -0.212 4.130 4.340 0.002 0.000 0.363 691 Q C 0.744 176.571 176.000 -0.288 0.000 1.356 691 Q CA 0.552 56.086 55.803 -0.448 0.000 1.044 691 Q CB -0.981 27.318 28.738 -0.732 0.000 1.173 691 Q HN 0.951 nan 8.270 nan 0.000 0.309 692 C N -1.495 117.718 119.300 -0.145 0.000 3.637 692 C HA 0.279 4.740 4.460 0.002 0.000 0.439 692 C C 0.819 175.759 174.990 -0.082 0.000 1.443 692 C CA 0.354 59.313 59.018 -0.099 0.000 2.037 692 C CB -0.220 27.478 27.740 -0.071 0.000 2.957 692 C HN 0.984 nan 8.230 nan 0.000 0.669 693 N N 1.172 119.859 118.700 -0.022 0.000 2.776 693 N HA -0.211 4.530 4.740 0.002 0.000 0.250 693 N C 0.739 176.235 175.510 -0.024 0.000 1.112 693 N CA 0.871 53.895 53.050 -0.043 0.000 0.733 693 N CB -0.969 37.424 38.487 -0.156 0.000 1.097 693 N HN 0.742 nan 8.380 nan 0.000 0.558 694 Q N -0.446 119.340 119.800 -0.024 0.000 2.250 694 Q HA -0.036 4.305 4.340 0.002 0.000 0.200 694 Q C 2.532 178.571 176.000 0.066 0.000 0.941 694 Q CA 1.543 57.339 55.803 -0.012 0.000 0.872 694 Q CB 0.128 28.840 28.738 -0.043 0.000 0.965 694 Q HN 0.807 nan 8.270 nan 0.000 0.480 695 C N -0.064 119.261 119.300 0.042 0.000 2.432 695 C HA 0.053 4.514 4.460 0.002 0.000 0.277 695 C C 2.758 177.761 174.990 0.022 0.000 1.249 695 C CA 0.589 59.627 59.018 0.033 0.000 1.725 695 C CB -1.275 26.477 27.740 0.021 0.000 2.028 695 C HN 0.437 nan 8.230 nan 0.000 0.477 696 A N 0.201 123.024 122.820 0.005 0.000 1.873 696 A HA -0.022 4.299 4.320 0.002 0.000 0.215 696 A C 1.994 179.577 177.584 -0.002 0.000 1.186 696 A CA 1.457 53.479 52.037 -0.026 0.000 0.616 696 A CB -1.172 17.787 19.000 -0.069 0.000 0.823 696 A HN 0.586 nan 8.150 nan 0.000 0.442 697 F N -0.120 119.771 119.950 -0.098 0.000 2.287 697 F HA -0.132 4.396 4.527 0.002 0.000 0.301 697 F C 1.954 177.697 175.800 -0.095 0.000 1.069 697 F CA 1.604 59.552 58.000 -0.086 0.000 1.372 697 F CB 0.223 39.184 39.000 -0.066 0.000 1.056 697 F HN 0.064 nan 8.300 nan 0.000 0.523 698 V N -1.506 118.462 119.914 0.090 0.000 3.263 698 V HA 0.021 4.143 4.120 0.002 0.000 0.248 698 V C 0.800 176.849 176.094 -0.074 0.000 1.145 698 V CA 0.274 62.578 62.300 0.007 0.000 1.107 698 V CB 0.248 32.102 31.823 0.052 0.000 0.797 698 V HN 0.308 nan 8.190 nan 0.000 0.467 699 C N 5.104 124.365 119.300 -0.065 0.000 2.638 699 C HA 0.122 4.583 4.460 0.002 0.000 0.400 699 C C -0.336 174.571 174.990 -0.139 0.000 1.421 699 C CA -0.969 58.011 59.018 -0.063 0.000 1.492 699 C CB -0.116 27.604 27.740 -0.033 0.000 2.372 699 C HN 0.386 nan 8.230 nan 0.000 0.618 700 P HA -0.016 nan 4.420 nan 0.000 0.251 700 P C -0.035 176.856 177.300 -0.681 0.000 1.251 700 P CA 1.336 64.208 63.100 -0.379 0.000 0.763 700 P CB -0.169 31.327 31.700 -0.340 0.000 1.067 701 H N -3.256 115.724 119.070 -0.152 0.000 3.650 701 H HA 0.208 4.765 4.556 0.002 0.000 0.260 701 H C 0.444 175.727 175.328 -0.075 0.000 1.194 701 H CA 0.138 56.122 56.048 -0.107 0.000 1.135 701 H CB 0.430 30.194 29.762 0.003 0.000 1.612 701 H HN -0.162 nan 8.280 nan 0.000 0.703 702 S N 0.018 115.696 115.700 -0.035 0.000 3.787 702 S HA -0.209 4.262 4.470 0.002 0.000 0.321 702 S C 1.389 176.078 174.600 0.150 0.000 1.119 702 S CA 0.428 58.599 58.200 -0.049 0.000 0.918 702 S CB -1.434 61.605 63.200 -0.269 0.000 0.913 702 S HN 0.690 nan 8.310 nan 0.000 0.506 703 A N -0.093 122.807 122.820 0.134 0.000 2.067 703 A HA 0.365 4.686 4.320 0.002 0.000 0.217 703 A C 0.749 178.354 177.584 0.036 0.000 1.156 703 A CA 0.776 52.882 52.037 0.114 0.000 0.683 703 A CB 0.031 19.080 19.000 0.081 0.000 0.808 703 A HN 0.681 nan 8.150 nan 0.000 0.455 704 I N 0.312 120.880 120.570 -0.003 0.000 2.377 704 I HA 0.391 4.562 4.170 0.002 0.000 0.293 704 I C -0.915 175.150 176.117 -0.085 0.000 0.987 704 I CA -0.725 60.537 61.300 -0.064 0.000 1.185 704 I CB 1.910 39.864 38.000 -0.077 0.000 1.341 704 I HN 0.151 nan 8.210 nan 0.000 0.455 705 L N 9.730 130.877 121.223 -0.128 0.000 2.388 705 L HA 0.578 4.919 4.340 0.002 0.000 0.267 705 L C -2.613 174.124 176.870 -0.222 0.000 0.995 705 L CA -1.807 52.956 54.840 -0.129 0.000 0.864 705 L CB 1.400 43.418 42.059 -0.068 0.000 1.216 705 L HN 0.241 nan 8.230 nan 0.000 0.430 706 P HA 0.106 nan 4.420 nan 0.000 0.276 706 P C -0.695 176.503 177.300 -0.171 0.000 1.264 706 P CA 0.028 62.887 63.100 -0.402 0.000 0.769 706 P CB 1.358 32.779 31.700 -0.464 0.000 0.840 707 V N 5.960 125.664 119.914 -0.350 0.000 2.481 707 V HA 0.305 4.427 4.120 0.002 0.000 0.286 707 V C 0.389 176.344 176.094 -0.233 0.000 1.042 707 V CA -0.419 61.768 62.300 -0.188 0.000 0.928 707 V CB 1.370 33.136 31.823 -0.096 0.000 0.986 707 V HN 0.431 nan 8.190 nan 0.000 0.462 708 L N 5.402 126.477 121.223 -0.246 0.000 2.457 708 L HA 0.852 5.193 4.340 0.002 0.000 0.266 708 L C -0.309 176.391 176.870 -0.285 0.000 0.979 708 L CA 0.036 54.677 54.840 -0.332 0.000 0.857 708 L CB 1.297 42.815 42.059 -0.902 0.000 1.213 708 L HN 0.713 nan 8.230 nan 0.000 0.418 709 A N 5.036 127.841 122.820 -0.026 0.000 2.374 709 A HA 0.714 5.035 4.320 0.002 0.000 0.305 709 A C -0.972 176.764 177.584 0.253 0.000 1.053 709 A CA -0.845 51.233 52.037 0.068 0.000 0.726 709 A CB 1.268 20.326 19.000 0.097 0.000 1.229 709 A HN 0.491 nan 8.150 nan 0.000 0.431 710 K N 2.217 122.834 120.400 0.360 0.000 2.326 710 K HA 0.073 4.394 4.320 0.002 0.000 0.275 710 K C 0.634 177.329 176.600 0.158 0.000 1.018 710 K CA 0.380 56.842 56.287 0.292 0.000 0.962 710 K CB 0.926 33.540 32.500 0.189 0.000 0.953 710 K HN 0.900 nan 8.250 nan 0.000 0.475 711 E N 1.441 121.713 120.200 0.120 0.000 2.324 711 E HA -0.260 4.091 4.350 0.002 0.000 0.205 711 E C 0.314 176.961 176.600 0.079 0.000 1.031 711 E CA 1.528 57.988 56.400 0.100 0.000 0.836 711 E CB -0.018 29.727 29.700 0.075 0.000 0.742 711 E HN 0.575 nan 8.360 nan 0.000 0.491 712 E N 0.429 120.667 120.200 0.063 0.000 2.479 712 E HA 0.021 4.372 4.350 0.002 0.000 0.193 712 E C 1.004 177.635 176.600 0.052 0.000 1.049 712 E CA 0.319 56.748 56.400 0.049 0.000 0.870 712 E CB 0.356 30.075 29.700 0.032 0.000 0.944 712 E HN 0.556 nan 8.360 nan 0.000 0.492 713 E N -0.157 120.082 120.200 0.065 0.000 2.276 713 E HA 0.027 4.378 4.350 0.002 0.000 0.193 713 E C 0.485 177.146 176.600 0.102 0.000 0.983 713 E CA 0.034 56.465 56.400 0.052 0.000 0.861 713 E CB 0.322 30.038 29.700 0.027 0.000 0.817 713 E HN -0.006 nan 8.360 nan 0.000 0.485 714 L N 1.110 122.408 121.223 0.125 0.000 2.779 714 L HA 0.044 4.386 4.340 0.002 0.000 0.239 714 L C 1.193 178.096 176.870 0.055 0.000 1.245 714 L CA 0.479 55.408 54.840 0.148 0.000 1.064 714 L CB -0.194 41.979 42.059 0.190 0.000 1.350 714 L HN -0.003 nan 8.230 nan 0.000 0.455 715 V N 0.159 120.105 119.914 0.055 0.000 2.261 715 V HA -0.048 4.073 4.120 0.002 0.000 0.235 715 V C 2.128 178.181 176.094 -0.069 0.000 1.044 715 V CA 1.805 64.107 62.300 0.004 0.000 1.007 715 V CB -0.726 31.109 31.823 0.020 0.000 0.647 715 V HN 0.540 nan 8.190 nan 0.000 0.462 716 G N 0.002 108.764 108.800 -0.062 0.000 2.916 716 G HA2 0.185 4.146 3.960 0.002 0.000 0.205 716 G HA3 0.185 4.146 3.960 0.002 0.000 0.205 716 G C 0.565 175.229 174.900 -0.394 0.000 1.163 716 G CA 0.519 45.538 45.100 -0.135 0.000 0.821 716 G HN 0.657 nan 8.290 nan 0.000 0.515 717 A N 0.636 123.082 122.820 -0.623 0.000 2.520 717 A HA 0.450 4.771 4.320 0.002 0.000 0.235 717 A C -1.683 175.544 177.584 -0.595 0.000 1.065 717 A CA -0.679 50.630 52.037 -1.214 0.000 0.764 717 A CB 0.187 18.665 19.000 -0.870 0.000 1.002 717 A HN 0.231 nan 8.150 nan 0.000 0.502 718 P HA 0.163 nan 4.420 nan 0.000 0.268 718 P C 0.973 178.258 177.300 -0.024 0.000 1.208 718 P CA 0.675 63.684 63.100 -0.152 0.000 0.777 718 P CB 0.627 32.313 31.700 -0.023 0.000 0.875 719 A N 3.294 126.111 122.820 -0.006 0.000 1.892 719 A HA -0.236 4.085 4.320 0.002 0.000 0.218 719 A C 1.503 179.124 177.584 0.062 0.000 1.188 719 A CA 2.038 54.087 52.037 0.020 0.000 0.631 719 A CB -1.277 17.731 19.000 0.013 0.000 0.822 719 A HN 0.773 nan 8.150 nan 0.000 0.447 720 N N -1.653 117.094 118.700 0.078 0.000 2.461 720 N HA -0.003 4.739 4.740 0.002 0.000 0.188 720 N C 0.140 175.738 175.510 0.147 0.000 1.134 720 N CA -0.089 53.017 53.050 0.094 0.000 0.878 720 N CB -0.106 38.425 38.487 0.073 0.000 0.972 720 N HN 0.413 nan 8.380 nan 0.000 0.456 721 F N 3.304 123.268 119.950 0.023 0.000 2.678 721 F HA 0.111 4.639 4.527 0.003 0.000 0.358 721 F C 0.168 176.031 175.800 0.104 0.000 1.256 721 F CA -0.087 57.950 58.000 0.061 0.000 1.278 721 F CB -0.460 38.541 39.000 0.001 0.000 1.681 721 F HN -0.190 nan 8.300 nan 0.000 0.661 722 T N 3.771 118.360 114.554 0.058 0.000 2.901 722 T HA 0.571 4.922 4.350 0.002 0.000 0.301 722 T C -0.046 174.734 174.700 0.132 0.000 1.012 722 T CA -0.044 62.115 62.100 0.099 0.000 1.135 722 T CB 0.847 69.760 68.868 0.075 0.000 0.936 722 T HN 0.592 nan 8.240 nan 0.000 0.539 723 A N 3.444 126.376 122.820 0.187 0.000 2.486 723 A HA 0.725 5.046 4.320 0.002 0.000 0.300 723 A C -0.453 177.278 177.584 0.245 0.000 1.048 723 A CA -0.829 51.365 52.037 0.263 0.000 0.696 723 A CB 1.012 20.160 19.000 0.246 0.000 1.278 723 A HN 0.774 nan 8.150 nan 0.000 0.405 724 L N 0.919 122.334 121.223 0.319 0.000 2.490 724 L HA 0.374 4.716 4.340 0.002 0.000 0.245 724 L C 0.581 177.583 176.870 0.220 0.000 1.185 724 L CA -0.701 54.276 54.840 0.229 0.000 0.813 724 L CB 0.344 42.549 42.059 0.242 0.000 1.233 724 L HN 0.678 nan 8.230 nan 0.000 0.489 725 E N 0.401 120.693 120.200 0.154 0.000 2.313 725 E HA 0.397 4.748 4.350 0.002 0.000 0.272 725 E C -0.686 176.004 176.600 0.151 0.000 1.038 725 E CA -0.664 55.820 56.400 0.140 0.000 0.863 725 E CB 1.497 31.250 29.700 0.089 0.000 1.060 725 E HN 0.574 nan 8.360 nan 0.000 0.402 726 A N 3.461 126.386 122.820 0.175 0.000 2.396 726 A HA 0.127 4.448 4.320 0.002 0.000 0.279 726 A C 0.022 177.666 177.584 0.100 0.000 1.165 726 A CA -0.366 51.776 52.037 0.175 0.000 0.824 726 A CB -0.055 19.104 19.000 0.266 0.000 1.100 726 A HN 0.442 nan 8.150 nan 0.000 0.516 727 K N 1.843 122.269 120.400 0.043 0.000 2.368 727 K HA 0.511 4.832 4.320 0.002 0.000 0.282 727 K C 0.412 177.038 176.600 0.042 0.000 1.035 727 K CA 0.729 57.028 56.287 0.018 0.000 0.973 727 K CB 0.747 33.228 32.500 -0.031 0.000 0.957 727 K HN 1.248 nan 8.250 nan 0.000 0.474 728 G N 1.423 110.249 108.800 0.044 0.000 2.348 728 G HA2 -0.131 3.830 3.960 0.002 0.000 0.606 728 G HA3 -0.131 3.830 3.960 0.002 0.000 0.606 728 G C -0.012 174.922 174.900 0.057 0.000 1.466 728 G CA -0.541 44.592 45.100 0.056 0.000 0.950 728 G HN 0.580 nan 8.290 nan 0.000 0.657 729 K N 0.264 120.694 120.400 0.049 0.000 1.967 729 K HA -0.072 4.250 4.320 0.002 0.000 0.212 729 K C 2.194 178.825 176.600 0.052 0.000 1.044 729 K CA 2.225 58.536 56.287 0.040 0.000 0.942 729 K CB -0.219 32.301 32.500 0.033 0.000 0.726 729 K HN 0.473 nan 8.250 nan 0.000 0.440 730 E N 1.125 121.366 120.200 0.068 0.000 2.219 730 E HA -0.126 4.226 4.350 0.002 0.000 0.198 730 E C 0.423 177.106 176.600 0.139 0.000 0.998 730 E CA 0.862 57.315 56.400 0.089 0.000 0.818 730 E CB -0.279 29.480 29.700 0.097 0.000 0.741 730 E HN 0.332 nan 8.360 nan 0.000 0.477 731 L N 1.130 122.445 121.223 0.152 0.000 2.352 731 L HA 0.323 4.664 4.340 0.002 0.000 0.272 731 L C 0.985 177.945 176.870 0.150 0.000 1.109 731 L CA -0.051 54.929 54.840 0.234 0.000 0.952 731 L CB 0.542 42.736 42.059 0.226 0.000 1.314 731 L HN -0.003 nan 8.230 nan 0.000 0.427 732 K N 1.278 121.713 120.400 0.058 0.000 2.485 732 K HA 0.153 4.474 4.320 0.002 0.000 0.200 732 K C 1.768 178.326 176.600 -0.069 0.000 1.352 732 K CA 0.415 56.702 56.287 0.000 0.000 0.953 732 K CB 0.759 33.248 32.500 -0.019 0.000 1.387 732 K HN 0.576 nan 8.250 nan 0.000 0.512 733 G N 0.708 109.348 108.800 -0.267 0.000 2.848 733 G HA2 -0.017 3.945 3.960 0.002 0.000 0.208 733 G HA3 -0.017 3.945 3.960 0.002 0.000 0.208 733 G C -0.051 174.705 174.900 -0.238 0.000 1.152 733 G CA 0.422 45.339 45.100 -0.304 0.000 0.789 733 G HN 0.040 nan 8.290 nan 0.000 0.531 734 Y N 0.053 120.377 120.300 0.040 0.000 2.534 734 Y HA 0.591 5.142 4.550 0.002 0.000 0.329 734 Y C 0.233 176.194 175.900 0.102 0.000 1.154 734 Y CA -1.362 56.770 58.100 0.053 0.000 1.192 734 Y CB 1.383 39.855 38.460 0.020 0.000 1.275 734 Y HN -0.236 nan 8.280 nan 0.000 0.491 735 K N 1.890 122.477 120.400 0.312 0.000 2.292 735 K HA 0.361 4.683 4.320 0.002 0.000 0.257 735 K C -1.668 175.121 176.600 0.314 0.000 0.940 735 K CA -0.588 55.869 56.287 0.284 0.000 0.811 735 K CB 2.242 34.889 32.500 0.244 0.000 1.120 735 K HN 0.612 nan 8.250 nan 0.000 0.428 736 F N 3.378 123.440 119.950 0.186 0.000 2.415 736 F HA 0.415 4.944 4.527 0.002 0.000 0.348 736 F C 0.016 175.919 175.800 0.171 0.000 1.119 736 F CA -0.739 57.371 58.000 0.183 0.000 1.069 736 F CB 1.075 40.211 39.000 0.227 0.000 1.124 736 F HN 0.582 nan 8.300 nan 0.000 0.472 737 R N 7.042 127.365 120.500 -0.296 0.000 2.686 737 R HA 0.521 4.862 4.340 0.002 0.000 0.283 737 R C -1.996 173.727 176.300 -0.962 0.000 0.978 737 R CA -0.813 55.044 56.100 -0.406 0.000 0.897 737 R CB 1.314 31.436 30.300 -0.297 0.000 1.192 737 R HN 0.630 nan 8.270 nan 0.000 0.457 738 I N 4.181 123.782 120.570 -1.615 0.000 2.291 738 I HA 0.120 4.291 4.170 0.002 0.000 0.292 738 I C -0.268 175.334 176.117 -0.858 0.000 1.064 738 I CA -0.166 60.337 61.300 -1.329 0.000 1.269 738 I CB 0.979 37.822 38.000 -1.928 0.000 1.418 738 I HN 0.685 nan 8.210 nan 0.000 0.485 739 Q N 7.265 126.766 119.800 -0.499 0.000 2.360 739 Q HA 0.333 4.675 4.340 0.002 0.000 0.254 739 Q C -0.813 175.086 176.000 -0.169 0.000 0.975 739 Q CA -0.302 55.336 55.803 -0.277 0.000 0.912 739 Q CB 0.708 29.347 28.738 -0.165 0.000 1.212 739 Q HN 0.363 nan 8.270 nan 0.000 0.452 740 I N 4.066 124.571 120.570 -0.108 0.000 2.352 740 I HA 0.138 4.309 4.170 0.002 0.000 0.290 740 I C 0.269 176.372 176.117 -0.024 0.000 1.036 740 I CA -0.086 61.183 61.300 -0.052 0.000 1.336 740 I CB 0.609 38.602 38.000 -0.012 0.000 1.407 740 I HN 0.764 nan 8.210 nan 0.000 0.497 741 N N 4.409 123.097 118.700 -0.021 0.000 2.555 741 N HA 0.042 4.783 4.740 0.002 0.000 0.244 741 N C 1.157 176.646 175.510 -0.035 0.000 1.114 741 N CA -0.184 52.847 53.050 -0.031 0.000 0.963 741 N CB 0.542 39.012 38.487 -0.028 0.000 1.276 741 N HN 0.700 nan 8.380 nan 0.000 0.510 742 T N 0.731 115.271 114.554 -0.023 0.000 3.163 742 T HA -0.004 4.348 4.350 0.002 0.000 0.260 742 T C 1.215 175.895 174.700 -0.034 0.000 1.156 742 T CA 0.399 62.490 62.100 -0.016 0.000 1.072 742 T CB -0.033 68.837 68.868 0.004 0.000 0.937 742 T HN 0.481 nan 8.240 nan 0.000 0.528 743 L N -0.260 120.921 121.223 -0.069 0.000 2.766 743 L HA 0.361 4.702 4.340 0.002 0.000 0.242 743 L C 0.646 177.425 176.870 -0.150 0.000 1.136 743 L CA 0.227 55.014 54.840 -0.089 0.000 0.933 743 L CB 0.447 42.455 42.059 -0.086 0.000 1.241 743 L HN 0.131 nan 8.230 nan 0.000 0.522 744 D N -0.578 119.715 120.400 -0.178 0.000 2.650 744 D HA 0.130 4.771 4.640 0.002 0.000 0.265 744 D C -0.481 175.779 176.300 -0.066 0.000 1.339 744 D CA 0.121 53.989 54.000 -0.221 0.000 0.816 744 D CB 0.687 41.153 40.800 -0.556 0.000 1.091 744 D HN 0.053 nan 8.370 nan 0.000 0.483 745 C N 0.488 119.749 119.300 -0.066 0.000 2.435 745 C HA 0.469 4.930 4.460 0.002 0.000 0.333 745 C C 1.162 176.099 174.990 -0.087 0.000 1.202 745 C CA -0.493 58.500 59.018 -0.041 0.000 1.830 745 C CB 0.519 28.250 27.740 -0.014 0.000 2.326 745 C HN 0.156 nan 8.230 nan 0.000 0.507 746 M N 3.107 122.645 119.600 -0.103 0.000 2.333 746 M HA 0.243 4.724 4.480 0.002 0.000 0.257 746 M C 1.528 177.807 176.300 -0.036 0.000 1.078 746 M CA 0.839 56.070 55.300 -0.113 0.000 1.005 746 M CB -0.976 31.507 32.600 -0.195 0.000 1.444 746 M HN 1.214 nan 8.290 nan 0.000 0.496 747 G N 1.647 110.440 108.800 -0.012 0.000 2.338 747 G HA2 -0.298 3.663 3.960 0.002 0.000 0.296 747 G HA3 -0.298 3.663 3.960 0.002 0.000 0.296 747 G C 0.970 175.878 174.900 0.014 0.000 1.040 747 G CA 0.453 45.557 45.100 0.006 0.000 1.004 747 G HN 0.689 nan 8.290 nan 0.000 0.509 748 C N -2.177 117.135 119.300 0.022 0.000 2.467 748 C HA 0.521 4.982 4.460 0.002 0.000 0.279 748 C C 2.565 177.570 174.990 0.025 0.000 1.347 748 C CA 1.165 60.199 59.018 0.027 0.000 1.748 748 C CB -0.651 27.114 27.740 0.042 0.000 1.977 748 C HN 2.442 nan 8.230 nan 0.000 0.501 749 G N 1.074 109.890 108.800 0.026 0.000 2.175 749 G HA2 -0.320 3.641 3.960 0.002 0.000 0.244 749 G HA3 -0.320 3.641 3.960 0.002 0.000 0.244 749 G C 0.524 175.441 174.900 0.028 0.000 0.982 749 G CA 0.658 45.775 45.100 0.027 0.000 0.641 749 G HN 0.577 nan 8.290 nan 0.000 0.527 750 N N -0.036 118.679 118.700 0.025 0.000 2.061 750 N HA -0.182 4.559 4.740 0.002 0.000 0.193 750 N C 2.707 178.232 175.510 0.026 0.000 1.030 750 N CA 2.834 55.898 53.050 0.022 0.000 0.856 750 N CB -0.438 38.055 38.487 0.011 0.000 1.023 750 N HN 0.935 nan 8.380 nan 0.000 0.424 751 C N -0.156 119.160 119.300 0.028 0.000 2.436 751 C HA 0.112 4.573 4.460 0.002 0.000 0.277 751 C C 2.744 177.762 174.990 0.045 0.000 1.241 751 C CA 0.434 59.473 59.018 0.034 0.000 1.721 751 C CB -1.439 26.319 27.740 0.030 0.000 2.043 751 C HN 0.392 nan 8.230 nan 0.000 0.472 752 A N 1.455 124.304 122.820 0.049 0.000 1.883 752 A HA -0.243 4.078 4.320 0.002 0.000 0.217 752 A C 2.225 179.835 177.584 0.045 0.000 1.186 752 A CA 2.187 54.258 52.037 0.056 0.000 0.624 752 A CB -1.148 17.884 19.000 0.053 0.000 0.822 752 A HN 0.750 nan 8.150 nan 0.000 0.444 753 D N -0.559 119.863 120.400 0.037 0.000 2.190 753 D HA -0.179 4.462 4.640 0.002 0.000 0.200 753 D C 1.619 177.938 176.300 0.031 0.000 0.992 753 D CA 1.742 55.761 54.000 0.032 0.000 0.854 753 D CB -0.053 40.765 40.800 0.030 0.000 0.936 753 D HN 0.373 nan 8.370 nan 0.000 0.462 754 I N 0.695 121.285 120.570 0.032 0.000 3.462 754 I HA 0.046 4.218 4.170 0.002 0.000 0.290 754 I C 0.662 176.795 176.117 0.028 0.000 1.236 754 I CA -0.056 61.261 61.300 0.029 0.000 1.418 754 I CB -0.132 37.885 38.000 0.029 0.000 1.102 754 I HN 0.060 nan 8.210 nan 0.000 0.441 755 C N 4.132 123.455 119.300 0.039 0.000 2.409 755 C HA -0.020 4.441 4.460 0.002 0.000 0.398 755 C C -0.488 174.523 174.990 0.034 0.000 1.507 755 C CA -0.904 58.143 59.018 0.049 0.000 1.460 755 C CB -0.180 27.604 27.740 0.074 0.000 2.472 755 C HN 0.353 nan 8.230 nan 0.000 0.614 756 P HA -0.055 nan 4.420 nan 0.000 0.215 756 P C -1.627 175.678 177.300 0.009 0.000 1.157 756 P CA 1.353 64.459 63.100 0.009 0.000 0.874 756 P CB -1.116 30.583 31.700 -0.002 0.000 0.790 757 P HA 0.005 nan 4.420 nan 0.000 0.269 757 P C 0.581 177.884 177.300 0.006 0.000 1.215 757 P CA 0.287 63.391 63.100 0.005 0.000 0.780 757 P CB 1.015 32.717 31.700 0.004 0.000 0.898 758 K N 0.456 120.856 120.400 0.000 0.000 2.026 758 K HA -0.067 4.254 4.320 0.002 0.000 0.208 758 K C 0.503 177.103 176.600 -0.000 0.000 1.048 758 K CA 1.151 57.439 56.287 0.001 0.000 0.929 758 K CB 0.033 32.532 32.500 -0.002 0.000 0.713 758 K HN 0.536 nan 8.250 nan 0.000 0.439 759 E N 2.699 122.895 120.200 -0.006 0.000 1.941 759 E HA 0.081 4.432 4.350 0.002 0.000 0.275 759 E C -0.268 176.327 176.600 -0.008 0.000 1.113 759 E CA -0.046 56.347 56.400 -0.012 0.000 0.878 759 E CB 0.617 30.304 29.700 -0.023 0.000 1.070 759 E HN 0.018 nan 8.360 nan 0.000 0.399 760 K N 0.962 121.364 120.400 0.003 0.000 2.542 760 K HA -0.015 4.307 4.320 0.002 0.000 0.276 760 K C 0.903 177.513 176.600 0.016 0.000 0.963 760 K CA 0.193 56.492 56.287 0.020 0.000 0.975 760 K CB 0.707 33.225 32.500 0.030 0.000 0.901 760 K HN 0.487 nan 8.250 nan 0.000 0.506 761 A N 3.135 125.990 122.820 0.058 0.000 1.997 761 A HA 0.123 4.444 4.320 0.002 0.000 0.212 761 A C 0.739 178.431 177.584 0.180 0.000 1.178 761 A CA 0.503 52.589 52.037 0.082 0.000 0.698 761 A CB 0.254 19.380 19.000 0.209 0.000 0.842 761 A HN 0.517 nan 8.150 nan 0.000 0.458 762 L N 0.748 122.079 121.223 0.180 0.000 2.341 762 L HA 0.579 4.920 4.340 0.002 0.000 0.278 762 L C -1.348 175.582 176.870 0.100 0.000 1.005 762 L CA -0.787 54.161 54.840 0.181 0.000 0.818 762 L CB 2.286 44.444 42.059 0.166 0.000 1.259 762 L HN -0.007 nan 8.230 nan 0.000 0.418 763 V N 3.061 123.027 119.914 0.088 0.000 2.686 763 V HA 0.414 4.535 4.120 0.002 0.000 0.306 763 V C -0.020 176.105 176.094 0.052 0.000 1.065 763 V CA -0.804 61.530 62.300 0.056 0.000 0.894 763 V CB 2.008 33.855 31.823 0.040 0.000 1.004 763 V HN 0.611 nan 8.190 nan 0.000 0.424 764 M N 4.558 124.183 119.600 0.041 0.000 2.246 764 M HA 0.381 4.863 4.480 0.002 0.000 0.350 764 M C -0.276 176.044 176.300 0.032 0.000 1.406 764 M CA 0.525 55.846 55.300 0.036 0.000 1.089 764 M CB 0.136 32.754 32.600 0.029 0.000 1.782 764 M HN 0.645 nan 8.290 nan 0.000 0.457 765 Q N 4.228 124.047 119.800 0.032 0.000 2.345 765 Q HA 0.545 4.886 4.340 0.002 0.000 0.275 765 Q C -2.486 173.530 176.000 0.027 0.000 1.063 765 Q CA -1.850 53.971 55.803 0.030 0.000 0.819 765 Q CB 1.976 30.734 28.738 0.033 0.000 1.356 765 Q HN 0.375 nan 8.270 nan 0.000 0.418 766 P HA -0.094 nan 4.420 nan 0.000 0.264 766 P C 0.951 178.267 177.300 0.027 0.000 1.179 766 P CA -0.140 62.974 63.100 0.025 0.000 0.763 766 P CB 0.748 32.462 31.700 0.025 0.000 0.806 767 L N 3.790 125.029 121.223 0.026 0.000 2.081 767 L HA -0.211 4.130 4.340 0.002 0.000 0.212 767 L C 1.741 178.629 176.870 0.031 0.000 1.080 767 L CA 2.162 57.017 54.840 0.026 0.000 0.754 767 L CB -1.305 40.768 42.059 0.024 0.000 0.893 767 L HN 0.390 nan 8.230 nan 0.000 0.433 768 D N -2.268 118.153 120.400 0.035 0.000 2.348 768 D HA -0.149 4.492 4.640 0.002 0.000 0.216 768 D C 1.631 177.953 176.300 0.037 0.000 0.970 768 D CA 1.236 55.260 54.000 0.039 0.000 0.889 768 D CB -0.617 40.211 40.800 0.047 0.000 0.912 768 D HN 0.568 nan 8.370 nan 0.000 0.524 769 T N -3.003 111.571 114.554 0.034 0.000 3.081 769 T HA 0.016 4.367 4.350 0.002 0.000 0.255 769 T C 1.640 176.360 174.700 0.034 0.000 1.113 769 T CA 0.331 62.450 62.100 0.033 0.000 1.082 769 T CB 0.442 69.328 68.868 0.031 0.000 0.939 769 T HN -0.037 nan 8.240 nan 0.000 0.506 770 Q N 1.628 121.449 119.800 0.034 0.000 2.514 770 Q HA 0.190 4.531 4.340 0.002 0.000 0.208 770 Q C 2.483 178.503 176.000 0.034 0.000 0.938 770 Q CA 0.945 56.770 55.803 0.036 0.000 0.892 770 Q CB -0.449 28.310 28.738 0.035 0.000 1.050 770 Q HN 0.640 nan 8.270 nan 0.000 0.595 771 R N 1.894 122.412 120.500 0.030 0.000 2.165 771 R HA -0.197 4.144 4.340 0.002 0.000 0.254 771 R C 1.412 177.729 176.300 0.029 0.000 1.153 771 R CA 2.158 58.274 56.100 0.026 0.000 0.971 771 R CB -0.916 29.398 30.300 0.024 0.000 0.878 771 R HN 0.141 nan 8.270 nan 0.000 0.449 772 D N 0.713 121.131 120.400 0.031 0.000 2.097 772 D HA -0.132 4.509 4.640 0.002 0.000 0.195 772 D C 2.011 178.331 176.300 0.034 0.000 0.989 772 D CA 2.022 56.040 54.000 0.029 0.000 0.827 772 D CB -0.378 40.439 40.800 0.028 0.000 0.966 772 D HN 0.475 nan 8.370 nan 0.000 0.456 773 A N 0.471 123.314 122.820 0.038 0.000 1.898 773 A HA -0.110 4.211 4.320 0.002 0.000 0.214 773 A C 2.069 179.689 177.584 0.060 0.000 1.183 773 A CA 0.996 53.061 52.037 0.047 0.000 0.622 773 A CB -0.292 18.737 19.000 0.047 0.000 0.824 773 A HN 0.005 nan 8.150 nan 0.000 0.444 774 Q N -0.415 119.417 119.800 0.054 0.000 2.472 774 Q HA 0.111 4.452 4.340 0.002 0.000 0.208 774 Q C 1.788 177.819 176.000 0.053 0.000 0.958 774 Q CA 0.566 56.403 55.803 0.057 0.000 0.932 774 Q CB -0.299 28.465 28.738 0.044 0.000 1.007 774 Q HN 0.450 nan 8.270 nan 0.000 0.508 775 V N 1.629 121.569 119.914 0.043 0.000 2.231 775 V HA -0.134 3.987 4.120 0.002 0.000 0.240 775 V C -0.967 175.160 176.094 0.055 0.000 1.039 775 V CA 1.947 64.266 62.300 0.033 0.000 0.998 775 V CB -1.276 30.560 31.823 0.021 0.000 0.639 775 V HN 0.263 nan 8.190 nan 0.000 0.451 776 P HA -0.200 nan 4.420 nan 0.000 0.217 776 P C 1.016 178.402 177.300 0.144 0.000 1.148 776 P CA 1.870 65.018 63.100 0.080 0.000 0.828 776 P CB -0.218 31.517 31.700 0.058 0.000 0.783 777 N N -0.436 118.370 118.700 0.178 0.000 2.106 777 N HA -0.092 4.649 4.740 0.002 0.000 0.188 777 N C 1.987 177.698 175.510 0.335 0.000 1.029 777 N CA 0.338 53.585 53.050 0.328 0.000 0.848 777 N CB -0.564 38.095 38.487 0.287 0.000 1.007 777 N HN 0.014 nan 8.380 nan 0.000 0.423 778 L N 1.739 123.069 121.223 0.179 0.000 1.971 778 L HA -0.229 4.112 4.340 0.002 0.000 0.215 778 L C 1.649 178.587 176.870 0.114 0.000 1.072 778 L CA 2.044 56.955 54.840 0.119 0.000 0.758 778 L CB -0.764 41.321 42.059 0.043 0.000 0.889 778 L HN 0.154 nan 8.230 nan 0.000 0.433 779 E N -0.514 119.742 120.200 0.093 0.000 2.065 779 E HA -0.313 4.038 4.350 0.002 0.000 0.201 779 E C 1.909 178.549 176.600 0.065 0.000 1.016 779 E CA 2.107 58.545 56.400 0.064 0.000 0.818 779 E CB -0.791 28.950 29.700 0.068 0.000 0.749 779 E HN 0.626 nan 8.360 nan 0.000 0.453 780 Y N 0.590 120.898 120.300 0.013 0.000 2.053 780 Y HA -0.276 4.275 4.550 0.002 0.000 0.277 780 Y C 2.201 178.079 175.900 -0.037 0.000 1.159 780 Y CA 1.934 59.995 58.100 -0.064 0.000 1.125 780 Y CB -0.817 37.543 38.460 -0.167 0.000 0.969 780 Y HN 0.051 nan 8.280 nan 0.000 0.492 781 A N 0.181 123.053 122.820 0.087 0.000 2.024 781 A HA -0.094 4.227 4.320 0.002 0.000 0.220 781 A C 2.359 179.908 177.584 -0.059 0.000 1.164 781 A CA 1.761 53.858 52.037 0.100 0.000 0.643 781 A CB -1.387 17.807 19.000 0.323 0.000 0.806 781 A HN 0.631 nan 8.150 nan 0.000 0.451 782 A N 0.368 123.158 122.820 -0.050 0.000 1.929 782 A HA -0.022 4.300 4.320 0.002 0.000 0.216 782 A C 1.643 179.170 177.584 -0.095 0.000 1.176 782 A CA 1.281 53.287 52.037 -0.051 0.000 0.628 782 A CB -0.196 18.793 19.000 -0.018 0.000 0.816 782 A HN 0.518 nan 8.150 nan 0.000 0.444 783 R N -0.072 120.333 120.500 -0.158 0.000 3.534 783 R HA 0.631 4.972 4.340 0.002 0.000 0.312 783 R C -0.690 175.465 176.300 -0.242 0.000 1.419 783 R CA 0.090 56.094 56.100 -0.160 0.000 1.262 783 R CB -0.964 29.269 30.300 -0.113 0.000 1.437 783 R HN 0.349 nan 8.270 nan 0.000 0.627 784 I N 0.641 121.073 120.570 -0.230 0.000 2.608 784 I HA 0.419 4.590 4.170 0.002 0.000 0.295 784 I C -2.221 173.817 176.117 -0.132 0.000 1.049 784 I CA -2.882 58.283 61.300 -0.223 0.000 1.063 784 I CB 2.786 40.626 38.000 -0.266 0.000 1.248 784 I HN 0.042 nan 8.210 nan 0.000 0.424 785 P HA 0.114 nan 4.420 nan 0.000 0.271 785 P C -0.666 176.571 177.300 -0.104 0.000 1.220 785 P CA -0.185 62.863 63.100 -0.087 0.000 0.768 785 P CB 0.583 32.240 31.700 -0.071 0.000 0.848 786 V N 5.337 125.202 119.914 -0.081 0.000 2.530 786 V HA 0.062 4.183 4.120 0.002 0.000 0.282 786 V C 0.868 176.897 176.094 -0.108 0.000 1.048 786 V CA -0.055 62.201 62.300 -0.074 0.000 0.997 786 V CB 0.546 32.352 31.823 -0.029 0.000 0.987 786 V HN 0.402 nan 8.190 nan 0.000 0.477 787 K N 3.922 124.206 120.400 -0.194 0.000 2.187 787 K HA 0.142 4.463 4.320 0.002 0.000 0.242 787 K C 1.429 177.961 176.600 -0.113 0.000 1.179 787 K CA 0.165 56.307 56.287 -0.242 0.000 1.097 787 K CB 0.284 32.467 32.500 -0.529 0.000 1.634 787 K HN 0.856 nan 8.250 nan 0.000 0.335 788 S N 0.159 115.832 115.700 -0.045 0.000 2.382 788 S HA -0.151 4.320 4.470 0.002 0.000 0.228 788 S C 1.478 176.083 174.600 0.007 0.000 1.027 788 S CA 0.937 59.138 58.200 0.001 0.000 0.991 788 S CB 0.048 63.248 63.200 0.000 0.000 0.823 788 S HN 0.435 nan 8.310 nan 0.000 0.469 789 E N 0.512 120.707 120.200 -0.008 0.000 2.250 789 E HA 0.182 4.533 4.350 0.002 0.000 0.192 789 E C 1.985 178.595 176.600 0.016 0.000 0.986 789 E CA 0.401 56.806 56.400 0.008 0.000 0.849 789 E CB -0.299 29.407 29.700 0.011 0.000 0.797 789 E HN 0.319 nan 8.360 nan 0.000 0.482 790 V N 0.309 120.217 119.914 -0.010 0.000 2.324 790 V HA -0.157 3.965 4.120 0.002 0.000 0.250 790 V C 0.705 176.829 176.094 0.051 0.000 1.060 790 V CA 1.401 63.710 62.300 0.014 0.000 1.042 790 V CB 0.051 31.827 31.823 -0.079 0.000 0.650 790 V HN 0.089 nan 8.190 nan 0.000 0.450 791 L N -0.263 121.001 121.223 0.067 0.000 2.333 791 L HA 0.462 4.803 4.340 0.002 0.000 0.269 791 L C -2.405 174.513 176.870 0.080 0.000 1.010 791 L CA -2.066 52.835 54.840 0.101 0.000 0.818 791 L CB 1.738 43.902 42.059 0.176 0.000 1.306 791 L HN 0.017 nan 8.230 nan 0.000 0.430 792 P HA 0.006 nan 4.420 nan 0.000 0.257 792 P C 0.344 177.670 177.300 0.044 0.000 1.189 792 P CA 0.252 63.380 63.100 0.048 0.000 0.780 792 P CB 0.386 32.111 31.700 0.041 0.000 0.772 793 R N 4.802 125.321 120.500 0.033 0.000 2.227 793 R HA -0.255 4.086 4.340 0.002 0.000 0.246 793 R C 1.161 177.458 176.300 -0.006 0.000 1.119 793 R CA 2.447 58.555 56.100 0.013 0.000 0.930 793 R CB -0.508 29.788 30.300 -0.006 0.000 0.912 793 R HN 0.541 nan 8.270 nan 0.000 0.435 794 D N 0.504 120.893 120.400 -0.018 0.000 2.676 794 D HA -0.023 4.618 4.640 0.002 0.000 0.239 794 D C -0.925 175.376 176.300 0.002 0.000 1.213 794 D CA 0.094 54.075 54.000 -0.032 0.000 0.835 794 D CB -0.004 40.764 40.800 -0.054 0.000 1.009 794 D HN 0.262 nan 8.370 nan 0.000 0.479 795 S N -0.644 115.066 115.700 0.017 0.000 2.454 795 S HA 0.246 4.718 4.470 0.002 0.000 0.306 795 S C 1.279 175.879 174.600 -0.000 0.000 1.100 795 S CA -0.926 57.279 58.200 0.009 0.000 1.087 795 S CB 2.254 65.466 63.200 0.020 0.000 1.019 795 S HN 0.213 nan 8.310 nan 0.000 0.480 796 L N 2.100 123.287 121.223 -0.060 0.000 2.064 796 L HA -0.314 4.027 4.340 0.002 0.000 0.234 796 L C 2.635 179.447 176.870 -0.097 0.000 1.103 796 L CA 2.376 57.107 54.840 -0.181 0.000 0.824 796 L CB -0.441 41.412 42.059 -0.344 0.000 0.919 796 L HN 0.979 nan 8.230 nan 0.000 0.447 797 K N -0.855 119.490 120.400 -0.092 0.000 2.002 797 K HA -0.172 4.149 4.320 0.002 0.000 0.209 797 K C 1.867 178.436 176.600 -0.051 0.000 1.048 797 K CA 1.590 57.822 56.287 -0.092 0.000 0.930 797 K CB -0.503 31.975 32.500 -0.036 0.000 0.714 797 K HN 0.577 nan 8.250 nan 0.000 0.438 798 G N 0.252 109.088 108.800 0.060 0.000 2.462 798 G HA2 -0.273 3.688 3.960 0.002 0.000 0.220 798 G HA3 -0.273 3.688 3.960 0.002 0.000 0.220 798 G C 1.501 176.458 174.900 0.096 0.000 1.121 798 G CA 1.204 46.388 45.100 0.139 0.000 0.758 798 G HN 0.518 nan 8.290 nan 0.000 0.559 799 S N -0.026 115.708 115.700 0.056 0.000 2.383 799 S HA -0.073 4.398 4.470 0.002 0.000 0.227 799 S C 2.018 176.635 174.600 0.028 0.000 1.026 799 S CA 1.143 59.375 58.200 0.053 0.000 0.981 799 S CB -0.186 63.088 63.200 0.125 0.000 0.818 799 S HN 0.244 nan 8.310 nan 0.000 0.472 800 Q N 0.130 119.924 119.800 -0.011 0.000 2.515 800 Q HA 0.282 4.623 4.340 0.002 0.000 0.212 800 Q C -0.023 175.872 176.000 -0.175 0.000 0.970 800 Q CA 0.373 56.107 55.803 -0.115 0.000 0.941 800 Q CB -0.592 28.049 28.738 -0.163 0.000 0.998 800 Q HN 0.634 nan 8.270 nan 0.000 0.518 801 F N 0.387 120.336 119.950 -0.002 0.000 2.750 801 F HA 0.248 4.776 4.527 0.002 0.000 0.297 801 F C 0.493 176.261 175.800 -0.052 0.000 1.138 801 F CA -0.427 57.549 58.000 -0.039 0.000 1.346 801 F CB 0.360 39.343 39.000 -0.029 0.000 0.965 801 F HN -0.141 nan 8.300 nan 0.000 0.514 802 Q N -0.135 119.726 119.800 0.100 0.000 2.306 802 Q HA 0.312 4.653 4.340 0.002 0.000 0.269 802 Q C -0.325 175.672 176.000 -0.006 0.000 1.053 802 Q CA -0.728 55.093 55.803 0.030 0.000 0.879 802 Q CB 1.368 30.100 28.738 -0.010 0.000 1.344 802 Q HN 0.237 nan 8.270 nan 0.000 0.464 803 E N 2.107 122.294 120.200 -0.021 0.000 2.180 803 E HA 0.220 4.571 4.350 0.002 0.000 0.283 803 E C -2.272 174.292 176.600 -0.061 0.000 1.061 803 E CA -1.531 54.847 56.400 -0.036 0.000 0.861 803 E CB 0.474 30.158 29.700 -0.028 0.000 1.056 803 E HN 0.078 nan 8.360 nan 0.000 0.407 804 P HA 0.037 nan 4.420 nan 0.000 0.281 804 P C -0.377 176.850 177.300 -0.121 0.000 1.286 804 P CA -0.317 62.705 63.100 -0.129 0.000 0.772 804 P CB 0.607 32.201 31.700 -0.177 0.000 0.862 805 L N 2.792 123.971 121.223 -0.073 0.000 2.645 805 L HA 0.256 4.597 4.340 0.002 0.000 0.234 805 L C 0.556 177.424 176.870 -0.004 0.000 1.165 805 L CA 1.013 55.843 54.840 -0.016 0.000 0.944 805 L CB -0.617 41.471 42.059 0.049 0.000 1.149 805 L HN 0.447 nan 8.230 nan 0.000 0.446 806 M N 0.751 120.256 119.600 -0.159 0.000 2.134 806 M HA 0.345 4.826 4.480 0.002 0.000 0.249 806 M C -1.361 174.673 176.300 -0.443 0.000 0.955 806 M CA 0.063 55.166 55.300 -0.329 0.000 1.037 806 M CB 1.117 33.475 32.600 -0.403 0.000 2.110 806 M HN 0.153 nan 8.290 nan 0.000 0.449 807 E N 3.649 123.517 120.200 -0.553 0.000 2.312 807 E HA 0.603 4.955 4.350 0.002 0.000 0.267 807 E C -0.829 175.267 176.600 -0.839 0.000 0.894 807 E CA -0.836 54.982 56.400 -0.970 0.000 0.773 807 E CB 1.562 30.215 29.700 -1.745 0.000 1.241 807 E HN 0.501 nan 8.360 nan 0.000 0.432 808 F N -0.135 119.796 119.950 -0.033 0.000 2.969 808 F HA -0.249 4.279 4.527 0.002 0.000 0.273 808 F C 0.485 176.334 175.800 0.080 0.000 0.986 808 F CA 0.295 58.325 58.000 0.050 0.000 0.926 808 F CB -2.770 36.234 39.000 0.007 0.000 0.887 808 F HN 0.286 nan 8.300 nan 0.000 0.816 809 S N -0.701 115.088 115.700 0.148 0.000 2.576 809 S HA 0.540 5.011 4.470 0.002 0.000 0.276 809 S C 1.200 175.931 174.600 0.218 0.000 1.339 809 S CA -0.273 57.991 58.200 0.107 0.000 1.039 809 S CB 1.759 64.885 63.200 -0.122 0.000 0.902 809 S HN 0.945 nan 8.310 nan 0.000 0.516 810 G N 0.823 109.744 108.800 0.201 0.000 3.392 810 G HA2 0.469 4.430 3.960 0.002 0.000 0.247 810 G HA3 0.469 4.430 3.960 0.002 0.000 0.247 810 G C 0.255 175.281 174.900 0.209 0.000 1.161 810 G CA -0.071 45.139 45.100 0.183 0.000 1.739 810 G HN 1.104 nan 8.290 nan 0.000 0.619 811 A N -0.519 122.439 122.820 0.230 0.000 2.299 811 A HA 0.641 4.962 4.320 0.002 0.000 0.332 811 A C 0.610 178.315 177.584 0.202 0.000 1.131 811 A CA -0.582 51.552 52.037 0.162 0.000 0.844 811 A CB 0.657 19.546 19.000 -0.186 0.000 1.251 811 A HN 0.423 nan 8.150 nan 0.000 0.486 812 C N 0.827 120.200 119.300 0.122 0.000 2.692 812 C HA 0.246 4.707 4.460 0.002 0.000 0.409 812 C C 1.258 176.343 174.990 0.159 0.000 1.284 812 C CA -0.220 58.860 59.018 0.103 0.000 1.909 812 C CB -0.679 27.100 27.740 0.065 0.000 2.713 812 C HN 0.770 nan 8.230 nan 0.000 0.649 813 S N 1.337 117.096 115.700 0.098 0.000 2.516 813 S HA 0.404 4.875 4.470 0.002 0.000 0.282 813 S C 1.112 175.764 174.600 0.087 0.000 1.286 813 S CA 0.664 58.922 58.200 0.096 0.000 1.066 813 S CB 0.360 63.576 63.200 0.027 0.000 0.884 813 S HN 1.650 nan 8.310 nan 0.000 0.491 814 G N 1.683 110.542 108.800 0.099 0.000 2.273 814 G HA2 -0.287 3.674 3.960 0.002 0.000 0.280 814 G HA3 -0.287 3.674 3.960 0.002 0.000 0.280 814 G C 0.346 175.238 174.900 -0.013 0.000 1.047 814 G CA 0.016 45.132 45.100 0.027 0.000 0.869 814 G HN 0.973 nan 8.290 nan 0.000 0.502 815 C N 0.021 119.293 119.300 -0.046 0.000 2.679 815 C HA 0.569 5.030 4.460 0.002 0.000 0.417 815 C C 2.102 177.028 174.990 -0.107 0.000 1.302 815 C CA 0.858 59.823 59.018 -0.088 0.000 1.973 815 C CB 0.364 27.992 27.740 -0.186 0.000 2.715 815 C HN 1.046 nan 8.230 nan 0.000 0.628 816 G N 2.376 111.145 108.800 -0.051 0.000 3.042 816 G HA2 0.070 4.031 3.960 0.002 0.000 0.212 816 G HA3 0.070 4.031 3.960 0.002 0.000 0.212 816 G C 1.214 176.166 174.900 0.087 0.000 1.166 816 G CA 0.209 45.303 45.100 -0.009 0.000 0.767 816 G HN 0.907 nan 8.290 nan 0.000 0.546 817 E N 0.700 120.930 120.200 0.049 0.000 2.075 817 E HA -0.091 4.260 4.350 0.002 0.000 0.190 817 E C 2.782 179.416 176.600 0.057 0.000 0.969 817 E CA 1.352 57.864 56.400 0.186 0.000 0.815 817 E CB -0.435 29.474 29.700 0.348 0.000 0.776 817 E HN 0.438 nan 8.360 nan 0.000 0.457 818 T N 0.204 114.542 114.554 -0.361 0.000 2.759 818 T HA -0.120 4.231 4.350 0.002 0.000 0.269 818 T C -1.005 173.485 174.700 -0.350 0.000 1.042 818 T CA 0.969 62.739 62.100 -0.550 0.000 1.140 818 T CB -1.514 66.814 68.868 -0.900 0.000 0.864 818 T HN -0.034 nan 8.240 nan 0.000 0.455 819 P HA -0.066 nan 4.420 nan 0.000 0.215 819 P C 0.896 177.989 177.300 -0.345 0.000 1.153 819 P CA 1.091 63.960 63.100 -0.385 0.000 0.853 819 P CB -0.231 31.200 31.700 -0.449 0.000 0.788 820 Y N -0.385 119.857 120.300 -0.096 0.000 2.036 820 Y HA -0.192 4.359 4.550 0.002 0.000 0.273 820 Y C 2.434 178.327 175.900 -0.012 0.000 1.135 820 Y CA 1.464 59.597 58.100 0.054 0.000 1.106 820 Y CB -1.805 36.800 38.460 0.242 0.000 0.976 820 Y HN -0.214 nan 8.280 nan 0.000 0.483 821 V N 0.598 120.592 119.914 0.133 0.000 2.660 821 V HA -0.288 3.833 4.120 0.002 0.000 0.257 821 V C 2.222 178.309 176.094 -0.012 0.000 1.088 821 V CA 2.265 64.581 62.300 0.026 0.000 1.106 821 V CB -0.596 31.329 31.823 0.170 0.000 0.686 821 V HN 0.448 nan 8.190 nan 0.000 0.481 822 R N 0.298 120.723 120.500 -0.125 0.000 2.062 822 R HA -0.051 4.291 4.340 0.002 0.000 0.229 822 R C 2.398 178.579 176.300 -0.198 0.000 1.128 822 R CA 1.813 57.802 56.100 -0.185 0.000 0.960 822 R CB -0.377 29.761 30.300 -0.270 0.000 0.855 822 R HN 0.637 nan 8.270 nan 0.000 0.432 823 V N -0.345 119.416 119.914 -0.256 0.000 2.759 823 V HA -0.097 4.024 4.120 0.002 0.000 0.256 823 V C 1.879 177.790 176.094 -0.305 0.000 1.080 823 V CA 1.413 63.525 62.300 -0.312 0.000 1.101 823 V CB -0.376 31.172 31.823 -0.458 0.000 0.698 823 V HN 0.290 nan 8.190 nan 0.000 0.477 824 I N 2.108 122.524 120.570 -0.257 0.000 2.315 824 I HA -0.178 3.994 4.170 0.002 0.000 0.248 824 I C 2.820 178.795 176.117 -0.237 0.000 1.117 824 I CA 2.076 63.181 61.300 -0.326 0.000 1.404 824 I CB -0.589 37.177 38.000 -0.391 0.000 1.071 824 I HN 0.595 nan 8.210 nan 0.000 0.419 825 T N -2.180 112.300 114.554 -0.122 0.000 3.023 825 T HA -0.109 4.242 4.350 0.002 0.000 0.266 825 T C 1.682 176.318 174.700 -0.106 0.000 1.093 825 T CA 0.613 62.684 62.100 -0.049 0.000 1.129 825 T CB -0.197 68.710 68.868 0.065 0.000 0.899 825 T HN 0.348 nan 8.240 nan 0.000 0.491 826 Q N -0.198 119.500 119.800 -0.170 0.000 2.500 826 Q HA 0.175 4.516 4.340 0.002 0.000 0.213 826 Q C 1.282 177.158 176.000 -0.206 0.000 0.974 826 Q CA 0.571 56.277 55.803 -0.161 0.000 0.918 826 Q CB -0.032 28.608 28.738 -0.164 0.000 0.980 826 Q HN 0.423 nan 8.270 nan 0.000 0.505 827 L N -2.703 118.306 121.223 -0.356 0.000 2.685 827 L HA 0.133 4.474 4.340 0.002 0.000 0.235 827 L C 0.462 177.040 176.870 -0.487 0.000 1.070 827 L CA 0.751 55.251 54.840 -0.566 0.000 0.888 827 L CB 0.667 42.084 42.059 -1.070 0.000 1.203 827 L HN 0.095 nan 8.230 nan 0.000 0.499 828 F N -2.132 117.808 119.950 -0.016 0.000 2.856 828 F HA 0.399 4.927 4.527 0.002 0.000 0.338 828 F C 2.038 177.846 175.800 0.012 0.000 1.100 828 F CA -0.082 57.940 58.000 0.036 0.000 1.150 828 F CB -1.049 38.016 39.000 0.109 0.000 1.101 828 F HN -0.090 nan 8.300 nan 0.000 0.548 829 G N 1.712 110.585 108.800 0.123 0.000 2.679 829 G HA2 -0.377 3.585 3.960 0.002 0.000 0.222 829 G HA3 -0.377 3.585 3.960 0.002 0.000 0.222 829 G C 1.675 176.612 174.900 0.063 0.000 1.164 829 G CA 1.714 46.859 45.100 0.074 0.000 0.769 829 G HN 0.456 nan 8.290 nan 0.000 0.610 830 E N 1.433 121.671 120.200 0.064 0.000 2.331 830 E HA -0.213 4.138 4.350 0.002 0.000 0.199 830 E C 1.742 178.367 176.600 0.042 0.000 1.008 830 E CA 1.337 57.764 56.400 0.045 0.000 0.843 830 E CB -0.246 29.484 29.700 0.050 0.000 0.761 830 E HN 0.743 nan 8.360 nan 0.000 0.507 831 R N 0.537 121.082 120.500 0.076 0.000 2.688 831 R HA 0.362 4.703 4.340 0.002 0.000 0.396 831 R C 0.294 176.640 176.300 0.076 0.000 1.081 831 R CA -0.352 55.788 56.100 0.066 0.000 1.093 831 R CB -0.223 30.145 30.300 0.113 0.000 1.338 831 R HN 0.096 nan 8.270 nan 0.000 0.613 832 M N -0.952 118.660 119.600 0.021 0.000 2.598 832 M HA 0.581 5.062 4.480 0.002 0.000 0.317 832 M C -1.512 174.708 176.300 -0.133 0.000 1.179 832 M CA -0.851 54.492 55.300 0.072 0.000 0.936 832 M CB 1.713 34.418 32.600 0.175 0.000 1.713 832 M HN -0.138 nan 8.290 nan 0.000 0.460 833 F N 2.228 122.181 119.950 0.005 0.000 2.443 833 F HA 0.651 5.179 4.527 0.002 0.000 0.335 833 F C -0.364 175.339 175.800 -0.163 0.000 1.104 833 F CA -0.512 57.431 58.000 -0.095 0.000 1.013 833 F CB 1.733 40.662 39.000 -0.118 0.000 1.136 833 F HN 0.466 nan 8.300 nan 0.000 0.470 834 I N 3.379 123.843 120.570 -0.176 0.000 2.410 834 I HA 0.427 4.598 4.170 0.002 0.000 0.286 834 I C -0.636 175.187 176.117 -0.490 0.000 1.009 834 I CA -0.786 60.254 61.300 -0.433 0.000 1.111 834 I CB 1.685 39.298 38.000 -0.644 0.000 1.262 834 I HN 0.625 nan 8.210 nan 0.000 0.443 835 A N 5.937 128.548 122.820 -0.347 0.000 2.444 835 A HA 0.381 4.703 4.320 0.002 0.000 0.332 835 A C -0.332 177.094 177.584 -0.264 0.000 1.430 835 A CA -0.517 51.392 52.037 -0.215 0.000 0.975 835 A CB -0.018 18.939 19.000 -0.072 0.000 1.147 835 A HN 0.678 nan 8.150 nan 0.000 0.524 836 N N 2.078 120.494 118.700 -0.474 0.000 2.414 836 N HA 0.432 5.173 4.740 0.002 0.000 0.256 836 N C 0.258 175.602 175.510 -0.278 0.000 1.029 836 N CA 0.181 53.020 53.050 -0.352 0.000 0.948 836 N CB 1.489 39.703 38.487 -0.455 0.000 1.102 836 N HN 0.703 nan 8.380 nan 0.000 0.496 837 A N 2.740 125.360 122.820 -0.334 0.000 2.425 837 A HA 0.248 4.569 4.320 0.002 0.000 0.242 837 A C 0.555 178.105 177.584 -0.056 0.000 1.077 837 A CA -0.058 51.793 52.037 -0.310 0.000 0.781 837 A CB 0.005 18.533 19.000 -0.786 0.000 1.020 837 A HN 0.629 nan 8.150 nan 0.000 0.494 838 T N 0.666 115.288 114.554 0.113 0.000 2.856 838 T HA 0.556 4.907 4.350 0.002 0.000 0.306 838 T C 0.722 175.329 174.700 -0.155 0.000 1.062 838 T CA 0.695 62.778 62.100 -0.028 0.000 1.083 838 T CB 0.868 69.683 68.868 -0.088 0.000 0.984 838 T HN 2.033 nan 8.240 nan 0.000 0.542 839 G N -0.709 107.960 108.800 -0.218 0.000 2.346 839 G HA2 -0.002 3.959 3.960 0.002 0.000 0.294 839 G HA3 -0.002 3.959 3.960 0.002 0.000 0.294 839 G C 0.745 175.551 174.900 -0.157 0.000 1.294 839 G CA -0.352 44.621 45.100 -0.211 0.000 0.962 839 G HN 0.743 nan 8.290 nan 0.000 0.508 840 C N 0.351 119.593 119.300 -0.096 0.000 2.398 840 C HA -0.031 4.430 4.460 0.002 0.000 0.282 840 C C 3.184 177.861 174.990 -0.521 0.000 1.275 840 C CA 2.007 60.982 59.018 -0.072 0.000 1.797 840 C CB -1.439 26.404 27.740 0.171 0.000 1.991 840 C HN 0.738 nan 8.230 nan 0.000 0.505 841 S N 1.446 116.827 115.700 -0.531 0.000 2.353 841 S HA -0.186 4.285 4.470 0.002 0.000 0.222 841 S C 2.053 176.192 174.600 -0.768 0.000 1.035 841 S CA 2.029 59.661 58.200 -0.946 0.000 1.025 841 S CB -0.510 62.519 63.200 -0.285 0.000 0.902 841 S HN 0.886 nan 8.310 nan 0.000 0.440 842 S N 1.555 117.120 115.700 -0.225 0.000 2.406 842 S HA 0.080 4.551 4.470 0.002 0.000 0.228 842 S C 1.772 176.326 174.600 -0.077 0.000 1.020 842 S CA 0.487 58.729 58.200 0.070 0.000 0.965 842 S CB -0.486 62.818 63.200 0.173 0.000 0.798 842 S HN 0.300 nan 8.310 nan 0.000 0.488 843 I N 2.254 122.740 120.570 -0.140 0.000 2.202 843 I HA -0.091 4.080 4.170 0.002 0.000 0.242 843 I C 2.679 178.810 176.117 0.023 0.000 1.091 843 I CA 1.226 62.494 61.300 -0.053 0.000 1.368 843 I CB -1.529 36.456 38.000 -0.025 0.000 1.058 843 I HN 0.670 nan 8.210 nan 0.000 0.410 844 W N 1.015 122.335 121.300 0.033 0.000 2.576 844 W HA 0.163 4.824 4.660 0.002 0.000 0.270 844 W C 1.795 178.289 176.519 -0.042 0.000 1.255 844 W CA 0.715 58.064 57.345 0.007 0.000 1.314 844 W CB -1.185 28.282 29.460 0.012 0.000 1.101 844 W HN 0.111 nan 8.180 nan 0.000 0.595 845 G N 0.780 109.553 108.800 -0.045 0.000 2.712 845 G HA2 0.236 4.197 3.960 0.002 0.000 0.212 845 G HA3 0.236 4.197 3.960 0.002 0.000 0.212 845 G C 0.901 175.567 174.900 -0.389 0.000 1.142 845 G CA 0.677 45.716 45.100 -0.102 0.000 0.789 845 G HN 0.337 nan 8.290 nan 0.000 0.535 846 A N -0.265 122.365 122.820 -0.318 0.000 3.019 846 A HA 0.551 4.872 4.320 0.002 0.000 0.202 846 A C 0.184 177.656 177.584 -0.187 0.000 0.924 846 A CA -0.263 51.547 52.037 -0.378 0.000 1.156 846 A CB -0.049 18.526 19.000 -0.707 0.000 1.265 846 A HN 0.015 nan 8.150 nan 0.000 0.526 847 S N 2.025 117.660 115.700 -0.107 0.000 2.411 847 S HA 0.505 4.976 4.470 0.002 0.000 0.304 847 S C 0.847 175.368 174.600 -0.133 0.000 1.098 847 S CA 0.210 58.363 58.200 -0.079 0.000 1.068 847 S CB 0.385 63.583 63.200 -0.005 0.000 1.032 847 S HN 1.095 nan 8.310 nan 0.000 0.511 848 A N 5.746 128.408 122.820 -0.263 0.000 2.561 848 A HA 0.217 4.539 4.320 0.002 0.000 0.234 848 A C -0.515 176.984 177.584 -0.141 0.000 1.055 848 A CA -0.659 51.117 52.037 -0.436 0.000 0.756 848 A CB -0.008 18.592 19.000 -0.666 0.000 0.986 848 A HN 0.597 nan 8.150 nan 0.000 0.505 849 P HA 0.020 nan 4.420 nan 0.000 0.239 849 P C 0.542 177.909 177.300 0.112 0.000 1.188 849 P CA 0.435 63.574 63.100 0.064 0.000 0.794 849 P CB 0.167 31.971 31.700 0.173 0.000 0.937 850 S N 1.299 117.045 115.700 0.075 0.000 2.481 850 S HA 0.350 4.821 4.470 0.002 0.000 0.276 850 S C 0.214 174.862 174.600 0.081 0.000 1.247 850 S CA -0.399 57.878 58.200 0.128 0.000 1.053 850 S CB -0.603 62.676 63.200 0.131 0.000 0.925 850 S HN -0.079 nan 8.310 nan 0.000 0.491 851 M N 7.886 127.558 119.600 0.121 0.000 2.085 851 M HA 0.314 4.795 4.480 0.002 0.000 0.309 851 M C -1.932 174.404 176.300 0.059 0.000 0.947 851 M CA -2.376 52.958 55.300 0.056 0.000 0.918 851 M CB 1.438 34.089 32.600 0.084 0.000 1.504 851 M HN 0.380 nan 8.290 nan 0.000 0.420 852 P HA -0.159 nan 4.420 nan 0.000 0.214 852 P C 0.126 177.344 177.300 -0.136 0.000 1.163 852 P CA 1.433 64.472 63.100 -0.102 0.000 0.883 852 P CB -0.163 31.426 31.700 -0.185 0.000 0.788 853 Y N 1.746 122.010 120.300 -0.060 0.000 2.805 853 Y HA -0.035 4.517 4.550 0.002 0.000 0.331 853 Y C 1.462 177.340 175.900 -0.037 0.000 1.241 853 Y CA 0.541 58.614 58.100 -0.045 0.000 1.546 853 Y CB -0.321 38.116 38.460 -0.038 0.000 1.248 853 Y HN 0.136 nan 8.280 nan 0.000 0.559 854 K N -0.086 120.379 120.400 0.109 0.000 2.395 854 K HA 0.711 5.033 4.320 0.002 0.000 0.245 854 K C -0.280 176.351 176.600 0.052 0.000 1.017 854 K CA -1.192 55.130 56.287 0.059 0.000 0.852 854 K CB 1.072 33.572 32.500 -0.001 0.000 1.311 854 K HN 0.476 nan 8.250 nan 0.000 0.452 855 T N -1.412 113.162 114.554 0.033 0.000 2.824 855 T HA 0.272 4.623 4.350 0.002 0.000 0.277 855 T C 0.215 174.921 174.700 0.010 0.000 0.975 855 T CA -0.646 61.467 62.100 0.021 0.000 0.966 855 T CB 0.363 69.242 68.868 0.017 0.000 1.054 855 T HN 0.757 nan 8.240 nan 0.000 0.533 856 N N -0.284 118.420 118.700 0.006 0.000 2.566 856 N HA 0.250 4.991 4.740 0.002 0.000 0.299 856 N C 1.347 176.858 175.510 0.001 0.000 1.277 856 N CA -0.971 52.079 53.050 0.000 0.000 0.965 856 N CB 0.275 38.763 38.487 0.001 0.000 1.142 856 N HN 0.840 nan 8.380 nan 0.000 0.596 857 R N -1.389 119.109 120.500 -0.003 0.000 2.154 857 R HA -0.097 4.244 4.340 0.002 0.000 0.248 857 R C 0.459 176.761 176.300 0.002 0.000 1.155 857 R CA 1.283 57.382 56.100 -0.002 0.000 0.979 857 R CB -0.702 29.594 30.300 -0.007 0.000 0.869 857 R HN 0.350 nan 8.270 nan 0.000 0.452 858 L N 0.451 121.676 121.223 0.004 0.000 2.611 858 L HA 0.299 4.640 4.340 0.002 0.000 0.229 858 L C 1.223 178.096 176.870 0.005 0.000 1.137 858 L CA 1.181 56.024 54.840 0.006 0.000 0.901 858 L CB 0.208 42.272 42.059 0.009 0.000 1.098 858 L HN 0.631 nan 8.230 nan 0.000 0.456 859 G N -0.508 108.295 108.800 0.005 0.000 2.143 859 G HA2 -0.260 3.701 3.960 0.002 0.000 0.249 859 G HA3 -0.260 3.701 3.960 0.002 0.000 0.249 859 G C 0.275 175.174 174.900 -0.002 0.000 0.981 859 G CA 0.452 45.554 45.100 0.003 0.000 0.665 859 G HN 0.495 nan 8.290 nan 0.000 0.528 860 Q N -0.558 119.242 119.800 -0.001 0.000 2.345 860 Q HA 0.787 5.128 4.340 0.002 0.000 0.268 860 Q C 0.099 176.097 176.000 -0.004 0.000 1.054 860 Q CA -0.610 55.188 55.803 -0.009 0.000 0.835 860 Q CB 2.729 31.464 28.738 -0.005 0.000 1.339 860 Q HN 1.200 nan 8.270 nan 0.000 0.447 861 G N 0.902 109.691 108.800 -0.017 0.000 2.488 861 G HA2 0.432 4.393 3.960 0.002 0.000 0.301 861 G HA3 0.432 4.393 3.960 0.002 0.000 0.301 861 G C -3.101 171.774 174.900 -0.042 0.000 1.339 861 G CA -1.119 43.980 45.100 -0.003 0.000 0.803 861 G HN 0.459 nan 8.290 nan 0.000 0.482 862 P HA 0.381 nan 4.420 nan 0.000 0.262 862 P C -0.028 177.184 177.300 -0.147 0.000 1.199 862 P CA 0.313 63.347 63.100 -0.110 0.000 0.763 862 P CB 0.819 32.452 31.700 -0.111 0.000 0.790 863 A N 4.208 126.876 122.820 -0.254 0.000 2.395 863 A HA 0.225 4.547 4.320 0.002 0.000 0.286 863 A C -0.751 176.770 177.584 -0.105 0.000 1.193 863 A CA -0.327 51.578 52.037 -0.220 0.000 0.852 863 A CB -0.465 18.248 19.000 -0.478 0.000 1.118 863 A HN 0.625 nan 8.150 nan 0.000 0.524 864 W N 2.562 123.739 121.300 -0.205 0.000 2.520 864 W HA 0.583 5.244 4.660 0.002 0.000 0.323 864 W C 0.238 176.737 176.519 -0.034 0.000 1.062 864 W CA 0.260 57.488 57.345 -0.195 0.000 1.215 864 W CB 1.967 31.229 29.460 -0.330 0.000 1.340 864 W HN 0.926 nan 8.180 nan 0.000 0.516 865 G N 3.818 112.364 108.800 -0.424 0.000 2.761 865 G HA2 0.194 4.156 3.960 0.002 0.000 0.296 865 G HA3 0.194 4.156 3.960 0.002 0.000 0.296 865 G C -2.178 172.413 174.900 -0.516 0.000 1.416 865 G CA -1.025 43.970 45.100 -0.175 0.000 1.105 865 G HN 0.436 nan 8.290 nan 0.000 0.565 866 N N 1.235 119.728 118.700 -0.344 0.000 2.426 866 N HA 0.445 5.186 4.740 0.002 0.000 0.257 866 N C 1.001 176.337 175.510 -0.290 0.000 1.002 866 N CA 0.152 53.026 53.050 -0.293 0.000 0.942 866 N CB 2.094 40.580 38.487 -0.002 0.000 1.112 866 N HN 0.315 nan 8.380 nan 0.000 0.499 867 S N 3.585 118.939 115.700 -0.577 0.000 2.288 867 S HA 0.406 4.877 4.470 0.002 0.000 0.198 867 S C 0.450 174.847 174.600 -0.339 0.000 1.021 867 S CA 0.480 58.200 58.200 -0.800 0.000 0.973 867 S CB -0.186 62.195 63.200 -1.365 0.000 0.946 867 S HN 0.522 nan 8.310 nan 0.000 0.470 868 L N -1.801 119.284 121.223 -0.231 0.000 2.309 868 L HA 0.475 4.816 4.340 0.002 0.000 0.240 868 L C 0.346 177.264 176.870 0.080 0.000 1.136 868 L CA -0.695 54.114 54.840 -0.052 0.000 0.985 868 L CB 0.487 42.529 42.059 -0.029 0.000 1.572 868 L HN 0.343 nan 8.230 nan 0.000 0.426 869 F N 1.201 121.138 119.950 -0.022 0.000 2.317 869 F HA 0.019 4.547 4.527 0.002 0.000 0.290 869 F C 2.299 178.198 175.800 0.166 0.000 1.075 869 F CA 1.157 59.184 58.000 0.044 0.000 1.380 869 F CB -0.024 39.011 39.000 0.057 0.000 1.093 869 F HN 0.608 nan 8.300 nan 0.000 0.524 870 E N 0.323 120.544 120.200 0.035 0.000 2.338 870 E HA -0.165 4.186 4.350 0.002 0.000 0.197 870 E C -0.135 176.492 176.600 0.045 0.000 1.007 870 E CA 1.374 57.728 56.400 -0.076 0.000 0.849 870 E CB -0.760 28.902 29.700 -0.063 0.000 0.774 870 E HN 0.586 nan 8.360 nan 0.000 0.506 871 D N -0.378 120.080 120.400 0.097 0.000 2.819 871 D HA 0.340 4.981 4.640 0.002 0.000 0.326 871 D C 0.976 177.384 176.300 0.180 0.000 1.408 871 D CA 0.143 54.224 54.000 0.134 0.000 0.811 871 D CB 0.440 41.271 40.800 0.051 0.000 1.148 871 D HN 0.091 nan 8.370 nan 0.000 0.457 872 A N 0.742 123.685 122.820 0.205 0.000 1.908 872 A HA 0.078 4.400 4.320 0.002 0.000 0.218 872 A C 2.303 180.009 177.584 0.202 0.000 1.181 872 A CA 1.994 54.049 52.037 0.030 0.000 0.627 872 A CB -0.667 18.019 19.000 -0.523 0.000 0.818 872 A HN 0.443 nan 8.150 nan 0.000 0.445 873 A N 0.714 123.785 122.820 0.419 0.000 1.855 873 A HA -0.142 4.180 4.320 0.002 0.000 0.215 873 A C 1.932 179.666 177.584 0.249 0.000 1.191 873 A CA 1.602 53.863 52.037 0.373 0.000 0.613 873 A CB -0.576 18.696 19.000 0.454 0.000 0.829 873 A HN 0.662 nan 8.150 nan 0.000 0.442 874 E N -1.084 119.237 120.200 0.203 0.000 2.333 874 E HA -0.233 4.118 4.350 0.002 0.000 0.198 874 E C 1.718 178.476 176.600 0.263 0.000 1.007 874 E CA 1.411 57.908 56.400 0.161 0.000 0.845 874 E CB -0.538 29.196 29.700 0.057 0.000 0.766 874 E HN 0.743 nan 8.360 nan 0.000 0.507 875 Y N 2.339 122.692 120.300 0.089 0.000 2.206 875 Y HA 0.176 4.727 4.550 0.002 0.000 0.292 875 Y C 2.522 178.443 175.900 0.036 0.000 1.123 875 Y CA 1.556 59.682 58.100 0.042 0.000 1.142 875 Y CB -0.632 37.823 38.460 -0.009 0.000 1.006 875 Y HN 0.042 nan 8.280 nan 0.000 0.518 876 G N -1.084 107.741 108.800 0.041 0.000 2.679 876 G HA2 -0.255 3.706 3.960 0.002 0.000 0.212 876 G HA3 -0.255 3.706 3.960 0.002 0.000 0.212 876 G C 1.385 176.273 174.900 -0.020 0.000 1.137 876 G CA 0.517 45.557 45.100 -0.100 0.000 0.787 876 G HN 0.491 nan 8.290 nan 0.000 0.534 877 F N 1.699 121.601 119.950 -0.080 0.000 2.569 877 F HA 0.258 4.786 4.527 0.002 0.000 0.295 877 F C 2.277 178.013 175.800 -0.107 0.000 1.115 877 F CA 0.738 58.693 58.000 -0.075 0.000 1.450 877 F CB 0.060 39.053 39.000 -0.013 0.000 1.107 877 F HN 0.058 nan 8.300 nan 0.000 0.563 878 G N 0.816 109.607 108.800 -0.016 0.000 2.404 878 G HA2 -0.210 3.751 3.960 0.002 0.000 0.215 878 G HA3 -0.210 3.751 3.960 0.002 0.000 0.215 878 G C 1.618 176.366 174.900 -0.253 0.000 1.174 878 G CA 0.943 45.977 45.100 -0.110 0.000 0.780 878 G HN 0.341 nan 8.290 nan 0.000 0.537 879 M N 0.654 120.048 119.600 -0.343 0.000 2.117 879 M HA -0.095 4.387 4.480 0.002 0.000 0.262 879 M C 2.411 178.418 176.300 -0.488 0.000 1.065 879 M CA 1.415 56.426 55.300 -0.482 0.000 1.114 879 M CB -0.636 31.569 32.600 -0.657 0.000 1.361 879 M HN 0.338 nan 8.290 nan 0.000 0.408 880 N N 0.918 119.363 118.700 -0.424 0.000 2.069 880 N HA -0.187 4.554 4.740 0.002 0.000 0.191 880 N C 1.749 177.063 175.510 -0.327 0.000 1.031 880 N CA 1.606 54.433 53.050 -0.372 0.000 0.852 880 N CB -0.034 38.242 38.487 -0.353 0.000 1.018 880 N HN 0.349 nan 8.380 nan 0.000 0.423 881 M N 0.236 119.586 119.600 -0.418 0.000 2.080 881 M HA -0.151 4.331 4.480 0.002 0.000 0.260 881 M C 2.582 178.799 176.300 -0.139 0.000 1.068 881 M CA 1.471 56.581 55.300 -0.317 0.000 1.109 881 M CB -0.369 32.009 32.600 -0.370 0.000 1.342 881 M HN 0.179 nan 8.290 nan 0.000 0.405 882 S N 0.068 115.665 115.700 -0.172 0.000 2.370 882 S HA -0.172 4.299 4.470 0.002 0.000 0.226 882 S C 1.905 176.454 174.600 -0.085 0.000 1.033 882 S CA 1.268 59.400 58.200 -0.113 0.000 1.011 882 S CB -0.021 63.095 63.200 -0.141 0.000 0.852 882 S HN 0.271 nan 8.310 nan 0.000 0.457 883 M N 0.347 119.859 119.600 -0.146 0.000 2.117 883 M HA 0.083 4.564 4.480 0.002 0.000 0.262 883 M C 1.778 178.066 176.300 -0.021 0.000 1.065 883 M CA 1.001 56.243 55.300 -0.098 0.000 1.114 883 M CB -1.705 30.800 32.600 -0.159 0.000 1.361 883 M HN 0.492 nan 8.290 nan 0.000 0.408 884 F N 0.823 120.691 119.950 -0.137 0.000 2.026 884 F HA -0.241 4.287 4.527 0.002 0.000 0.296 884 F C 2.327 178.097 175.800 -0.051 0.000 1.133 884 F CA 2.225 60.165 58.000 -0.099 0.000 1.188 884 F CB -0.634 38.283 39.000 -0.138 0.000 0.968 884 F HN 0.161 nan 8.300 nan 0.000 0.476 885 A N 0.520 123.434 122.820 0.157 0.000 1.873 885 A HA -0.247 4.074 4.320 0.002 0.000 0.218 885 A C 2.300 179.899 177.584 0.026 0.000 1.193 885 A CA 2.157 54.239 52.037 0.075 0.000 0.629 885 A CB -0.889 18.155 19.000 0.074 0.000 0.826 885 A HN 0.506 nan 8.150 nan 0.000 0.447 886 R N -1.182 119.337 120.500 0.032 0.000 2.096 886 R HA -0.045 4.296 4.340 0.002 0.000 0.235 886 R C 2.423 178.757 176.300 0.056 0.000 1.127 886 R CA 1.405 57.543 56.100 0.062 0.000 0.968 886 R CB -0.259 30.062 30.300 0.035 0.000 0.861 886 R HN 0.448 nan 8.270 nan 0.000 0.440 887 R N -0.341 120.165 120.500 0.009 0.000 2.193 887 R HA -0.008 4.333 4.340 0.002 0.000 0.213 887 R C 1.792 178.102 176.300 0.017 0.000 1.055 887 R CA 1.150 57.276 56.100 0.044 0.000 0.995 887 R CB 0.108 30.421 30.300 0.022 0.000 0.893 887 R HN 0.173 nan 8.270 nan 0.000 0.459 888 T N -0.970 113.508 114.554 -0.127 0.000 2.896 888 T HA -0.129 4.222 4.350 0.002 0.000 0.263 888 T C 1.476 176.201 174.700 0.042 0.000 1.050 888 T CA 1.008 63.016 62.100 -0.154 0.000 1.140 888 T CB -0.211 68.479 68.868 -0.297 0.000 0.877 888 T HN 0.457 nan 8.240 nan 0.000 0.457 889 H N 0.301 119.344 119.070 -0.045 0.000 2.319 889 H HA -0.089 4.468 4.556 0.002 0.000 0.299 889 H C 2.311 177.635 175.328 -0.007 0.000 1.092 889 H CA 1.069 57.104 56.048 -0.021 0.000 1.302 889 H CB -0.106 29.643 29.762 -0.022 0.000 1.373 889 H HN 0.122 nan 8.280 nan 0.000 0.497 890 L N 1.008 122.284 121.223 0.089 0.000 2.042 890 L HA -0.130 4.211 4.340 0.002 0.000 0.210 890 L C 2.451 179.338 176.870 0.027 0.000 1.076 890 L CA 1.987 56.806 54.840 -0.036 0.000 0.749 890 L CB -1.062 40.963 42.059 -0.056 0.000 0.893 890 L HN 0.367 nan 8.230 nan 0.000 0.432 891 A N -1.188 121.770 122.820 0.231 0.000 1.968 891 A HA -0.158 4.163 4.320 0.002 0.000 0.217 891 A C 1.911 179.586 177.584 0.152 0.000 1.169 891 A CA 1.612 53.845 52.037 0.327 0.000 0.638 891 A CB -0.670 18.492 19.000 0.270 0.000 0.812 891 A HN 0.506 nan 8.150 nan 0.000 0.446 892 D N -0.749 119.714 120.400 0.105 0.000 2.234 892 D HA -0.029 4.612 4.640 0.002 0.000 0.205 892 D C 1.644 177.984 176.300 0.066 0.000 0.962 892 D CA 0.499 54.545 54.000 0.075 0.000 0.855 892 D CB -0.103 40.738 40.800 0.070 0.000 0.951 892 D HN 0.277 nan 8.370 nan 0.000 0.500 893 L N 0.416 121.677 121.223 0.064 0.000 2.109 893 L HA 0.079 4.420 4.340 0.002 0.000 0.207 893 L C 2.119 178.976 176.870 -0.021 0.000 1.086 893 L CA 1.058 55.904 54.840 0.011 0.000 0.760 893 L CB -0.703 41.324 42.059 -0.053 0.000 0.910 893 L HN -0.035 nan 8.230 nan 0.000 0.437 894 A N -0.967 121.837 122.820 -0.027 0.000 1.897 894 A HA -0.051 4.270 4.320 0.002 0.000 0.215 894 A C 2.433 180.024 177.584 0.012 0.000 1.181 894 A CA 1.406 53.418 52.037 -0.041 0.000 0.620 894 A CB -0.951 18.019 19.000 -0.051 0.000 0.821 894 A HN 0.393 nan 8.150 nan 0.000 0.443 895 A N -0.197 122.652 122.820 0.047 0.000 1.978 895 A HA -0.193 4.128 4.320 0.002 0.000 0.220 895 A C 2.114 179.706 177.584 0.014 0.000 1.170 895 A CA 1.917 53.975 52.037 0.035 0.000 0.636 895 A CB -0.389 18.634 19.000 0.039 0.000 0.810 895 A HN 0.549 nan 8.150 nan 0.000 0.448 896 K N -0.692 119.715 120.400 0.011 0.000 2.076 896 K HA 0.064 4.385 4.320 0.002 0.000 0.204 896 K C 2.350 178.946 176.600 -0.006 0.000 1.051 896 K CA 0.864 57.153 56.287 0.004 0.000 0.949 896 K CB -0.286 32.218 32.500 0.008 0.000 0.726 896 K HN 0.416 nan 8.250 nan 0.000 0.443 897 A N 1.722 124.533 122.820 -0.016 0.000 1.978 897 A HA -0.160 4.162 4.320 0.002 0.000 0.220 897 A C 2.063 179.635 177.584 -0.020 0.000 1.170 897 A CA 1.293 53.316 52.037 -0.024 0.000 0.636 897 A CB -0.751 18.224 19.000 -0.041 0.000 0.810 897 A HN 0.189 nan 8.150 nan 0.000 0.448 898 L N -0.665 120.548 121.223 -0.016 0.000 2.187 898 L HA -0.184 4.157 4.340 0.002 0.000 0.213 898 L C 1.652 178.515 176.870 -0.011 0.000 1.100 898 L CA 1.240 56.072 54.840 -0.014 0.000 0.765 898 L CB -0.479 41.574 42.059 -0.011 0.000 0.904 898 L HN 0.463 nan 8.230 nan 0.000 0.437 899 E N -0.211 119.984 120.200 -0.009 0.000 2.359 899 E HA 0.032 4.383 4.350 0.002 0.000 0.187 899 E C 0.527 177.122 176.600 -0.008 0.000 1.081 899 E CA -0.156 56.239 56.400 -0.008 0.000 0.929 899 E CB 0.252 29.949 29.700 -0.005 0.000 1.086 899 E HN 0.435 nan 8.360 nan 0.000 0.462 900 S N 0.044 115.738 115.700 -0.011 0.000 2.751 900 S HA 0.149 4.621 4.470 0.002 0.000 0.310 900 S C 0.353 174.947 174.600 -0.011 0.000 1.128 900 S CA -0.921 57.273 58.200 -0.011 0.000 0.931 900 S CB 1.338 64.530 63.200 -0.013 0.000 1.177 900 S HN 0.111 nan 8.310 nan 0.000 0.530 901 D N 0.334 120.727 120.400 -0.010 0.000 2.519 901 D HA 0.259 4.900 4.640 0.002 0.000 0.238 901 D C 0.612 176.906 176.300 -0.011 0.000 1.192 901 D CA -0.288 53.707 54.000 -0.009 0.000 0.835 901 D CB -0.578 40.217 40.800 -0.008 0.000 0.975 901 D HN 0.676 nan 8.370 nan 0.000 0.490 902 A N 0.396 123.208 122.820 -0.013 0.000 2.386 902 A HA 0.323 4.644 4.320 0.002 0.000 0.248 902 A C 0.744 178.320 177.584 -0.013 0.000 1.082 902 A CA -0.335 51.692 52.037 -0.016 0.000 0.789 902 A CB 0.491 19.478 19.000 -0.022 0.000 1.025 902 A HN 0.313 nan 8.150 nan 0.000 0.490 903 S N 0.670 116.363 115.700 -0.012 0.000 2.540 903 S HA 0.147 4.618 4.470 0.002 0.000 0.272 903 S C 1.561 176.156 174.600 -0.008 0.000 1.357 903 S CA 0.434 58.629 58.200 -0.009 0.000 1.011 903 S CB 0.170 63.365 63.200 -0.008 0.000 0.852 903 S HN 1.322 nan 8.310 nan 0.000 0.535 904 G N 1.667 110.465 108.800 -0.004 0.000 2.394 904 G HA2 -0.104 3.857 3.960 0.002 0.000 0.215 904 G HA3 -0.104 3.857 3.960 0.002 0.000 0.215 904 G C 1.019 175.920 174.900 0.001 0.000 1.165 904 G CA 0.762 45.861 45.100 -0.002 0.000 0.784 904 G HN 0.758 nan 8.290 nan 0.000 0.535 905 D N 0.426 120.829 120.400 0.005 0.000 2.097 905 D HA -0.099 4.542 4.640 0.002 0.000 0.195 905 D C 2.766 179.070 176.300 0.007 0.000 0.989 905 D CA 0.665 54.672 54.000 0.012 0.000 0.827 905 D CB -0.583 40.224 40.800 0.012 0.000 0.966 905 D HN 0.139 nan 8.370 nan 0.000 0.456 906 V N 1.179 121.089 119.914 -0.006 0.000 2.282 906 V HA -0.278 3.844 4.120 0.002 0.000 0.249 906 V C 2.280 178.358 176.094 -0.028 0.000 1.057 906 V CA 1.787 64.074 62.300 -0.022 0.000 1.032 906 V CB -0.331 31.476 31.823 -0.028 0.000 0.645 906 V HN 0.235 nan 8.190 nan 0.000 0.447 907 K N -0.542 119.845 120.400 -0.022 0.000 2.209 907 K HA -0.223 4.099 4.320 0.002 0.000 0.204 907 K C 2.146 178.729 176.600 -0.028 0.000 1.048 907 K CA 1.481 57.753 56.287 -0.026 0.000 0.940 907 K CB -0.141 32.347 32.500 -0.019 0.000 0.729 907 K HN 0.556 nan 8.250 nan 0.000 0.451 908 E N 0.598 120.790 120.200 -0.012 0.000 2.152 908 E HA -0.122 4.229 4.350 0.002 0.000 0.192 908 E C 1.863 178.456 176.600 -0.013 0.000 0.983 908 E CA 0.703 57.101 56.400 -0.004 0.000 0.818 908 E CB 0.103 29.822 29.700 0.032 0.000 0.758 908 E HN 0.311 nan 8.360 nan 0.000 0.467 909 A N 0.826 123.658 122.820 0.020 0.000 1.840 909 A HA -0.112 4.209 4.320 0.002 0.000 0.214 909 A C 2.025 179.571 177.584 -0.064 0.000 1.198 909 A CA 0.673 52.754 52.037 0.073 0.000 0.608 909 A CB -0.660 18.379 19.000 0.065 0.000 0.839 909 A HN 0.261 nan 8.150 nan 0.000 0.443 910 L N -0.268 120.918 121.223 -0.063 0.000 1.997 910 L HA -0.268 4.073 4.340 0.002 0.000 0.216 910 L C 2.673 179.533 176.870 -0.015 0.000 1.074 910 L CA 2.612 57.422 54.840 -0.049 0.000 0.763 910 L CB -0.925 41.097 42.059 -0.062 0.000 0.890 910 L HN 0.607 nan 8.230 nan 0.000 0.434 911 Q N -1.335 118.418 119.800 -0.079 0.000 2.172 911 Q HA -0.053 4.288 4.340 0.002 0.000 0.200 911 Q C 2.099 177.962 176.000 -0.229 0.000 0.964 911 Q CA 1.414 57.159 55.803 -0.097 0.000 0.855 911 Q CB -0.435 28.254 28.738 -0.081 0.000 0.918 911 Q HN 0.495 nan 8.270 nan 0.000 0.444 912 G N -0.244 108.275 108.800 -0.468 0.000 2.440 912 G HA2 -0.300 3.661 3.960 0.002 0.000 0.218 912 G HA3 -0.300 3.661 3.960 0.002 0.000 0.218 912 G C 1.082 175.485 174.900 -0.828 0.000 1.154 912 G CA 0.718 45.187 45.100 -1.052 0.000 0.767 912 G HN 0.590 nan 8.290 nan 0.000 0.552 913 W N 0.731 121.649 121.300 -0.638 0.000 2.378 913 W HA -0.001 4.660 4.660 0.002 0.000 0.313 913 W C 2.205 178.620 176.519 -0.174 0.000 1.197 913 W CA 0.833 58.029 57.345 -0.247 0.000 1.304 913 W CB -0.357 28.999 29.460 -0.174 0.000 1.148 913 W HN 0.042 nan 8.180 nan 0.000 0.494 914 L N 1.123 122.400 121.223 0.091 0.000 2.081 914 L HA -0.228 4.113 4.340 0.002 0.000 0.212 914 L C 2.424 179.115 176.870 -0.299 0.000 1.080 914 L CA 2.402 57.181 54.840 -0.101 0.000 0.754 914 L CB -2.110 39.989 42.059 0.068 0.000 0.893 914 L HN 0.286 nan 8.230 nan 0.000 0.433 915 A N -1.280 121.390 122.820 -0.249 0.000 2.016 915 A HA 0.105 4.427 4.320 0.002 0.000 0.217 915 A C 1.902 179.349 177.584 -0.229 0.000 1.162 915 A CA 1.182 53.092 52.037 -0.211 0.000 0.662 915 A CB -0.493 18.407 19.000 -0.168 0.000 0.812 915 A HN 0.438 nan 8.150 nan 0.000 0.450 916 G N 0.012 108.635 108.800 -0.294 0.000 3.899 916 G HA2 0.251 4.213 3.960 0.002 0.000 0.293 916 G HA3 0.251 4.213 3.960 0.002 0.000 0.293 916 G C 0.998 175.657 174.900 -0.402 0.000 1.054 916 G CA 0.464 45.429 45.100 -0.225 0.000 0.846 916 G HN 0.636 nan 8.290 nan 0.000 0.525 917 K N -0.047 119.933 120.400 -0.700 0.000 2.074 917 K HA -0.122 4.199 4.320 0.002 0.000 0.209 917 K C 1.092 177.442 176.600 -0.416 0.000 1.048 917 K CA 1.556 57.281 56.287 -0.936 0.000 0.926 917 K CB -0.245 31.604 32.500 -1.084 0.000 0.713 917 K HN 0.282 nan 8.250 nan 0.000 0.444 918 N N 0.813 119.346 118.700 -0.279 0.000 2.295 918 N HA 0.038 4.779 4.740 0.002 0.000 0.221 918 N C -1.173 174.284 175.510 -0.089 0.000 1.129 918 N CA -0.316 52.643 53.050 -0.151 0.000 0.836 918 N CB 0.418 38.826 38.487 -0.132 0.000 1.040 918 N HN 0.214 nan 8.380 nan 0.000 0.494 919 D N 0.565 120.916 120.400 -0.081 0.000 2.349 919 D HA 0.161 4.802 4.640 0.002 0.000 0.232 919 D C -1.770 174.539 176.300 0.014 0.000 1.071 919 D CA -2.425 51.562 54.000 -0.023 0.000 0.832 919 D CB 1.633 42.424 40.800 -0.014 0.000 1.086 919 D HN -0.019 nan 8.370 nan 0.000 0.504 920 P HA 0.015 nan 4.420 nan 0.000 0.244 920 P C 0.622 177.969 177.300 0.079 0.000 1.211 920 P CA 0.532 63.675 63.100 0.071 0.000 0.760 920 P CB 0.449 32.204 31.700 0.091 0.000 0.961 921 I N -0.903 119.704 120.570 0.062 0.000 3.345 921 I HA 0.062 4.233 4.170 0.002 0.000 0.258 921 I C 2.219 178.364 176.117 0.047 0.000 1.134 921 I CA 0.379 61.710 61.300 0.052 0.000 1.457 921 I CB 0.032 38.058 38.000 0.042 0.000 1.425 921 I HN -0.311 nan 8.210 nan 0.000 0.461 922 K N 0.939 121.376 120.400 0.061 0.000 2.062 922 K HA -0.048 4.274 4.320 0.002 0.000 0.205 922 K C 2.242 178.959 176.600 0.196 0.000 1.051 922 K CA 1.745 58.105 56.287 0.120 0.000 0.941 922 K CB -0.622 31.977 32.500 0.164 0.000 0.719 922 K HN 0.393 nan 8.250 nan 0.000 0.440 923 S N 1.247 117.014 115.700 0.111 0.000 2.383 923 S HA -0.172 4.300 4.470 0.002 0.000 0.229 923 S C 2.090 176.862 174.600 0.287 0.000 1.030 923 S CA 1.427 59.712 58.200 0.141 0.000 1.002 923 S CB -0.076 63.159 63.200 0.057 0.000 0.829 923 S HN 0.301 nan 8.310 nan 0.000 0.467 924 K N 1.153 121.665 120.400 0.186 0.000 2.098 924 K HA 0.002 4.323 4.320 0.002 0.000 0.203 924 K C 2.393 179.055 176.600 0.105 0.000 1.051 924 K CA 1.016 57.403 56.287 0.166 0.000 0.957 924 K CB -0.320 32.250 32.500 0.117 0.000 0.738 924 K HN 0.576 nan 8.250 nan 0.000 0.447 925 E N -0.358 119.857 120.200 0.025 0.000 2.070 925 E HA -0.242 4.109 4.350 0.002 0.000 0.197 925 E C 1.584 178.078 176.600 -0.176 0.000 1.004 925 E CA 1.574 57.900 56.400 -0.123 0.000 0.805 925 E CB -0.106 29.432 29.700 -0.270 0.000 0.744 925 E HN 0.379 nan 8.360 nan 0.000 0.451 926 Y N -0.380 119.966 120.300 0.077 0.000 2.314 926 Y HA 0.110 4.661 4.550 0.002 0.000 0.294 926 Y C 2.433 178.340 175.900 0.011 0.000 1.119 926 Y CA 1.106 59.248 58.100 0.069 0.000 1.179 926 Y CB -0.621 37.917 38.460 0.130 0.000 1.025 926 Y HN 0.161 nan 8.280 nan 0.000 0.541 927 G N -0.255 108.676 108.800 0.218 0.000 2.432 927 G HA2 -0.211 3.750 3.960 0.002 0.000 0.219 927 G HA3 -0.211 3.750 3.960 0.002 0.000 0.219 927 G C 1.167 176.079 174.900 0.019 0.000 1.135 927 G CA 1.275 46.344 45.100 -0.052 0.000 0.767 927 G HN 0.284 nan 8.290 nan 0.000 0.550 928 D N 0.656 121.111 120.400 0.092 0.000 2.149 928 D HA -0.016 4.625 4.640 0.002 0.000 0.201 928 D C 2.368 178.690 176.300 0.037 0.000 0.972 928 D CA 0.717 54.766 54.000 0.082 0.000 0.835 928 D CB -0.165 40.669 40.800 0.057 0.000 0.966 928 D HN 0.261 nan 8.370 nan 0.000 0.476 929 K N 0.025 120.433 120.400 0.013 0.000 2.097 929 K HA -0.098 4.223 4.320 0.002 0.000 0.206 929 K C 1.860 178.456 176.600 -0.007 0.000 1.049 929 K CA 0.424 56.718 56.287 0.011 0.000 0.933 929 K CB -0.043 32.480 32.500 0.038 0.000 0.717 929 K HN 0.015 nan 8.250 nan 0.000 0.442 930 L N 1.616 122.799 121.223 -0.067 0.000 2.156 930 L HA -0.079 4.262 4.340 0.002 0.000 0.208 930 L C 2.007 178.847 176.870 -0.050 0.000 1.095 930 L CA 1.672 56.414 54.840 -0.163 0.000 0.770 930 L CB -0.403 41.360 42.059 -0.493 0.000 0.914 930 L HN 0.025 nan 8.230 nan 0.000 0.439 931 K N -0.737 119.704 120.400 0.068 0.000 2.211 931 K HA -0.164 4.157 4.320 0.002 0.000 0.203 931 K C 1.931 178.584 176.600 0.089 0.000 1.050 931 K CA 1.118 57.528 56.287 0.206 0.000 0.945 931 K CB 0.186 32.830 32.500 0.241 0.000 0.732 931 K HN 0.283 nan 8.250 nan 0.000 0.451 932 K N 0.204 120.634 120.400 0.049 0.000 2.128 932 K HA 0.045 4.366 4.320 0.002 0.000 0.202 932 K C 2.061 178.671 176.600 0.017 0.000 1.050 932 K CA 0.488 56.792 56.287 0.028 0.000 0.966 932 K CB 0.066 32.578 32.500 0.020 0.000 0.759 932 K HN 0.070 nan 8.250 nan 0.000 0.454 933 L N 0.981 122.208 121.223 0.008 0.000 2.083 933 L HA -0.137 4.204 4.340 0.002 0.000 0.209 933 L C 1.621 178.489 176.870 -0.003 0.000 1.083 933 L CA 1.158 55.997 54.840 -0.002 0.000 0.752 933 L CB -0.135 41.916 42.059 -0.013 0.000 0.899 933 L HN 0.202 nan 8.230 nan 0.000 0.433 934 L N -0.400 120.825 121.223 0.003 0.000 2.741 934 L HA 0.273 4.614 4.340 0.002 0.000 0.237 934 L C 0.850 177.728 176.870 0.013 0.000 1.178 934 L CA -0.649 54.195 54.840 0.006 0.000 0.973 934 L CB -0.257 41.810 42.059 0.012 0.000 1.255 934 L HN 0.032 nan 8.230 nan 0.000 0.498 935 A N 0.291 123.120 122.820 0.014 0.000 2.524 935 A HA 0.447 4.768 4.320 0.002 0.000 0.250 935 A C 1.412 178.997 177.584 0.002 0.000 1.078 935 A CA 0.853 52.896 52.037 0.011 0.000 0.761 935 A CB 0.026 19.033 19.000 0.012 0.000 1.012 935 A HN 0.619 nan 8.150 nan 0.000 0.500 936 G N 1.018 109.817 108.800 -0.002 0.000 2.336 936 G HA2 -0.280 3.681 3.960 0.002 0.000 0.233 936 G HA3 -0.280 3.681 3.960 0.002 0.000 0.233 936 G C 0.576 175.471 174.900 -0.008 0.000 1.053 936 G CA 0.576 45.673 45.100 -0.006 0.000 0.625 936 G HN 1.232 nan 8.290 nan 0.000 0.511 937 Q N 1.112 120.907 119.800 -0.008 0.000 2.308 937 Q HA 0.449 4.790 4.340 0.002 0.000 0.313 937 Q C 1.012 177.002 176.000 -0.016 0.000 1.075 937 Q CA 1.559 57.355 55.803 -0.012 0.000 0.995 937 Q CB 0.426 29.157 28.738 -0.012 0.000 1.107 937 Q HN 0.584 nan 8.270 nan 0.000 0.380 938 K N 1.853 122.244 120.400 -0.016 0.000 2.562 938 K HA 0.176 4.497 4.320 0.002 0.000 0.218 938 K C -0.927 175.662 176.600 -0.019 0.000 1.374 938 K CA -0.095 56.181 56.287 -0.019 0.000 0.996 938 K CB 0.907 33.397 32.500 -0.016 0.000 1.127 938 K HN 0.609 nan 8.250 nan 0.000 0.603 939 D N 1.232 121.622 120.400 -0.017 0.000 2.177 939 D HA 0.282 4.924 4.640 0.002 0.000 0.247 939 D C 0.793 177.083 176.300 -0.018 0.000 1.063 939 D CA 0.102 54.093 54.000 -0.016 0.000 0.867 939 D CB 1.489 42.282 40.800 -0.012 0.000 1.168 939 D HN 0.212 nan 8.370 nan 0.000 0.445 940 G N 1.305 110.095 108.800 -0.017 0.000 2.595 940 G HA2 -0.323 3.639 3.960 0.002 0.000 0.382 940 G HA3 -0.323 3.639 3.960 0.002 0.000 0.382 940 G C 1.126 176.012 174.900 -0.024 0.000 1.327 940 G CA 0.011 45.101 45.100 -0.017 0.000 0.916 940 G HN 0.587 nan 8.290 nan 0.000 0.547 941 L N -1.861 119.349 121.223 -0.022 0.000 2.239 941 L HA -0.318 4.023 4.340 0.002 0.000 0.242 941 L C 3.030 179.875 176.870 -0.042 0.000 1.130 941 L CA 2.853 57.675 54.840 -0.030 0.000 0.852 941 L CB -0.660 41.385 42.059 -0.024 0.000 0.959 941 L HN 0.599 nan 8.230 nan 0.000 0.447 942 L N -0.333 120.868 121.223 -0.036 0.000 2.079 942 L HA -0.163 4.178 4.340 0.002 0.000 0.210 942 L C 2.395 179.244 176.870 -0.036 0.000 1.081 942 L CA 2.207 57.024 54.840 -0.038 0.000 0.752 942 L CB -1.067 40.974 42.059 -0.030 0.000 0.896 942 L HN 0.388 nan 8.230 nan 0.000 0.433 943 G N -2.202 106.578 108.800 -0.033 0.000 2.402 943 G HA2 -0.215 3.746 3.960 0.002 0.000 0.216 943 G HA3 -0.215 3.746 3.960 0.002 0.000 0.216 943 G C 1.414 176.286 174.900 -0.047 0.000 1.162 943 G CA 0.398 45.478 45.100 -0.033 0.000 0.777 943 G HN 0.430 nan 8.290 nan 0.000 0.539 944 Q N 0.053 119.818 119.800 -0.058 0.000 2.014 944 Q HA -0.123 4.218 4.340 0.002 0.000 0.207 944 Q C 2.650 178.587 176.000 -0.105 0.000 0.993 944 Q CA 1.530 57.280 55.803 -0.088 0.000 0.850 944 Q CB -0.362 28.315 28.738 -0.101 0.000 0.916 944 Q HN 0.540 nan 8.270 nan 0.000 0.417 945 I N 0.746 121.260 120.570 -0.094 0.000 2.335 945 I HA -0.277 3.895 4.170 0.002 0.000 0.251 945 I C 2.413 178.533 176.117 0.004 0.000 1.129 945 I CA 0.903 62.158 61.300 -0.074 0.000 1.402 945 I CB -0.530 37.416 38.000 -0.090 0.000 1.069 945 I HN 0.157 nan 8.210 nan 0.000 0.424 946 A N 0.869 123.684 122.820 -0.008 0.000 1.930 946 A HA -0.035 4.286 4.320 0.002 0.000 0.217 946 A C 2.494 180.043 177.584 -0.058 0.000 1.175 946 A CA 1.626 53.675 52.037 0.020 0.000 0.627 946 A CB -0.567 18.433 19.000 -0.001 0.000 0.815 946 A HN 0.431 nan 8.150 nan 0.000 0.443 947 A N -1.089 121.676 122.820 -0.091 0.000 2.167 947 A HA 0.232 4.553 4.320 0.002 0.000 0.214 947 A C 1.683 179.155 177.584 -0.187 0.000 1.151 947 A CA 0.814 52.778 52.037 -0.122 0.000 0.735 947 A CB -0.430 18.514 19.000 -0.094 0.000 0.802 947 A HN 0.482 nan 8.150 nan 0.000 0.467 948 M N 0.248 119.708 119.600 -0.233 0.000 2.723 948 M HA 0.050 4.531 4.480 0.002 0.000 0.270 948 M C 1.621 177.575 176.300 -0.577 0.000 1.282 948 M CA 0.318 55.444 55.300 -0.289 0.000 0.995 948 M CB 0.125 32.591 32.600 -0.222 0.000 1.430 948 M HN 0.450 nan 8.290 nan 0.000 0.477 949 S N 1.118 116.355 115.700 -0.772 0.000 2.469 949 S HA -0.140 4.331 4.470 0.002 0.000 0.238 949 S C 1.217 175.372 174.600 -0.743 0.000 0.998 949 S CA 1.481 58.869 58.200 -1.353 0.000 0.957 949 S CB -0.222 62.533 63.200 -0.742 0.000 0.764 949 S HN 0.641 nan 8.310 nan 0.000 0.514 950 D N 0.596 120.768 120.400 -0.380 0.000 2.336 950 D HA 0.096 4.737 4.640 0.002 0.000 0.228 950 D C 1.106 177.357 176.300 -0.082 0.000 1.120 950 D CA -0.082 53.815 54.000 -0.172 0.000 0.839 950 D CB -0.144 40.596 40.800 -0.100 0.000 0.932 950 D HN 0.501 nan 8.370 nan 0.000 0.509 951 L N -1.085 120.065 121.223 -0.123 0.000 3.039 951 L HA 0.128 4.469 4.340 0.002 0.000 0.269 951 L C 1.301 178.304 176.870 0.222 0.000 1.169 951 L CA -0.332 54.531 54.840 0.039 0.000 0.986 951 L CB 0.079 42.142 42.059 0.006 0.000 1.377 951 L HN -0.148 nan 8.230 nan 0.000 0.575 952 Y N 0.909 121.270 120.300 0.101 0.000 2.128 952 Y HA -0.147 4.404 4.550 0.002 0.000 0.284 952 Y C 1.923 178.098 175.900 0.460 0.000 1.154 952 Y CA 0.787 59.021 58.100 0.224 0.000 1.149 952 Y CB -0.845 37.649 38.460 0.056 0.000 0.976 952 Y HN 0.030 nan 8.280 nan 0.000 0.505 953 T N 1.418 116.224 114.554 0.419 0.000 2.767 953 T HA 0.167 4.519 4.350 0.002 0.000 0.288 953 T C -0.116 174.708 174.700 0.207 0.000 0.963 953 T CA -0.941 61.334 62.100 0.293 0.000 1.019 953 T CB 0.531 69.527 68.868 0.213 0.000 0.923 953 T HN 0.017 nan 8.240 nan 0.000 0.468 954 K N 4.490 124.980 120.400 0.150 0.000 2.530 954 K HA 0.032 4.353 4.320 0.002 0.000 0.280 954 K C 0.270 176.937 176.600 0.112 0.000 1.004 954 K CA 0.507 56.853 56.287 0.098 0.000 1.071 954 K CB 0.338 32.861 32.500 0.038 0.000 0.876 954 K HN 0.647 nan 8.250 nan 0.000 0.487 955 K N 1.474 121.949 120.400 0.125 0.000 2.123 955 K HA 0.174 4.496 4.320 0.002 0.000 0.248 955 K C -0.246 176.432 176.600 0.130 0.000 0.969 955 K CA -0.656 55.735 56.287 0.174 0.000 0.882 955 K CB 1.680 34.374 32.500 0.324 0.000 1.080 955 K HN 0.332 nan 8.250 nan 0.000 0.441 956 S N 1.288 117.086 115.700 0.163 0.000 2.498 956 S HA 0.232 4.703 4.470 0.002 0.000 0.324 956 S C -0.662 174.037 174.600 0.164 0.000 1.071 956 S CA -0.738 57.511 58.200 0.081 0.000 1.113 956 S CB 0.364 63.635 63.200 0.118 0.000 0.976 956 S HN 0.321 nan 8.310 nan 0.000 0.462 957 V N 6.505 126.396 119.914 -0.038 0.000 2.372 957 V HA 0.348 4.469 4.120 0.002 0.000 0.261 957 V C -0.494 175.491 176.094 -0.181 0.000 1.055 957 V CA -0.500 61.786 62.300 -0.023 0.000 0.930 957 V CB -0.335 31.405 31.823 -0.138 0.000 1.031 957 V HN 0.826 nan 8.190 nan 0.000 0.479 958 W N 4.838 126.084 121.300 -0.091 0.000 2.512 958 W HA 0.716 5.377 4.660 0.002 0.000 0.335 958 W C -0.139 176.284 176.519 -0.159 0.000 1.088 958 W CA -0.621 56.651 57.345 -0.121 0.000 1.236 958 W CB 1.313 30.614 29.460 -0.265 0.000 1.307 958 W HN 0.345 nan 8.180 nan 0.000 0.567 959 I N 4.181 124.890 120.570 0.230 0.000 2.420 959 I HA 0.236 4.407 4.170 0.002 0.000 0.282 959 I C -0.985 175.351 176.117 0.366 0.000 1.019 959 I CA -0.816 60.577 61.300 0.155 0.000 1.130 959 I CB 0.430 38.543 38.000 0.189 0.000 1.262 959 I HN 0.053 nan 8.210 nan 0.000 0.454 960 F N 3.799 123.756 119.950 0.012 0.000 2.421 960 F HA 0.836 5.365 4.527 0.002 0.000 0.337 960 F C 0.784 176.416 175.800 -0.280 0.000 1.105 960 F CA -1.322 56.705 58.000 0.046 0.000 1.049 960 F CB 1.768 40.846 39.000 0.131 0.000 1.139 960 F HN 0.477 nan 8.300 nan 0.000 0.479 961 G N 0.542 109.346 108.800 0.007 0.000 2.489 961 G HA2 0.509 4.470 3.960 0.002 0.000 0.291 961 G HA3 0.509 4.470 3.960 0.002 0.000 0.291 961 G C -0.873 174.208 174.900 0.302 0.000 1.487 961 G CA -0.211 44.844 45.100 -0.074 0.000 0.795 961 G HN 0.898 nan 8.290 nan 0.000 0.513 962 G N -1.102 107.922 108.800 0.373 0.000 2.606 962 G HA2 0.508 4.469 3.960 0.002 0.000 0.262 962 G HA3 0.508 4.469 3.960 0.002 0.000 0.262 962 G C 0.850 176.030 174.900 0.467 0.000 1.394 962 G CA 0.664 45.965 45.100 0.336 0.000 1.044 962 G HN 0.714 nan 8.290 nan 0.000 0.553 963 D N -0.768 119.844 120.400 0.354 0.000 2.183 963 D HA -0.059 4.582 4.640 0.002 0.000 0.203 963 D C 2.156 178.707 176.300 0.418 0.000 0.969 963 D CA 1.207 55.444 54.000 0.395 0.000 0.842 963 D CB -0.688 40.137 40.800 0.042 0.000 0.957 963 D HN 0.454 nan 8.370 nan 0.000 0.484 964 G N 0.230 109.260 108.800 0.383 0.000 2.422 964 G HA2 -0.247 3.714 3.960 0.002 0.000 0.218 964 G HA3 -0.247 3.714 3.960 0.002 0.000 0.218 964 G C 1.375 176.475 174.900 0.333 0.000 1.146 964 G CA 0.722 46.039 45.100 0.362 0.000 0.769 964 G HN 0.445 nan 8.290 nan 0.000 0.547 965 W N 1.553 122.995 121.300 0.237 0.000 2.452 965 W HA 0.282 4.943 4.660 0.002 0.000 0.313 965 W C 2.614 179.182 176.519 0.082 0.000 1.176 965 W CA 2.042 59.394 57.345 0.012 0.000 1.350 965 W CB -0.415 29.143 29.460 0.162 0.000 1.148 965 W HN 0.188 nan 8.180 nan 0.000 0.498 966 A N -0.473 122.151 122.820 -0.327 0.000 1.902 966 A HA -0.193 4.128 4.320 0.002 0.000 0.217 966 A C 1.814 179.198 177.584 -0.332 0.000 1.181 966 A CA 1.864 53.443 52.037 -0.763 0.000 0.623 966 A CB -1.346 17.481 19.000 -0.289 0.000 0.818 966 A HN 0.567 nan 8.150 nan 0.000 0.443 967 Y N -0.475 119.731 120.300 -0.156 0.000 2.490 967 Y HA 0.068 4.620 4.550 0.002 0.000 0.285 967 Y C 1.584 177.407 175.900 -0.128 0.000 1.117 967 Y CA 0.691 58.682 58.100 -0.182 0.000 1.262 967 Y CB 0.125 38.542 38.460 -0.071 0.000 1.043 967 Y HN 0.311 nan 8.280 nan 0.000 0.553 968 D N -0.927 119.562 120.400 0.148 0.000 3.168 968 D HA 0.031 4.672 4.640 0.002 0.000 0.219 968 D C 1.998 178.313 176.300 0.025 0.000 1.310 968 D CA -0.106 53.983 54.000 0.149 0.000 1.348 968 D CB -0.814 40.206 40.800 0.367 0.000 0.925 968 D HN 0.024 nan 8.370 nan 0.000 0.185 969 I N 0.946 121.496 120.570 -0.033 0.000 2.194 969 I HA -0.196 3.976 4.170 0.002 0.000 0.246 969 I C 1.677 177.635 176.117 -0.263 0.000 1.093 969 I CA 1.994 63.169 61.300 -0.208 0.000 1.355 969 I CB -0.012 37.744 38.000 -0.406 0.000 1.046 969 I HN 0.191 nan 8.210 nan 0.000 0.413 970 G N -1.706 106.860 108.800 -0.390 0.000 3.088 970 G HA2 -0.178 3.783 3.960 0.002 0.000 0.217 970 G HA3 -0.178 3.783 3.960 0.002 0.000 0.217 970 G C 1.155 175.780 174.900 -0.457 0.000 1.159 970 G CA -0.002 44.831 45.100 -0.446 0.000 0.760 970 G HN 0.414 nan 8.290 nan 0.000 0.550 971 Y N 2.297 122.311 120.300 -0.476 0.000 2.014 971 Y HA -0.205 4.347 4.550 0.002 0.000 0.272 971 Y C 2.646 178.402 175.900 -0.241 0.000 1.164 971 Y CA 1.930 59.807 58.100 -0.371 0.000 1.114 971 Y CB -0.764 37.551 38.460 -0.241 0.000 0.961 971 Y HN 0.118 nan 8.280 nan 0.000 0.489 972 G N -0.806 107.793 108.800 -0.336 0.000 2.545 972 G HA2 -0.341 3.620 3.960 0.002 0.000 0.222 972 G HA3 -0.341 3.620 3.960 0.002 0.000 0.222 972 G C 1.850 176.572 174.900 -0.297 0.000 1.126 972 G CA 1.202 46.086 45.100 -0.361 0.000 0.754 972 G HN 0.713 nan 8.290 nan 0.000 0.583 973 G N 0.376 109.039 108.800 -0.228 0.000 2.411 973 G HA2 0.031 3.993 3.960 0.002 0.000 0.213 973 G HA3 0.031 3.993 3.960 0.002 0.000 0.213 973 G C 1.708 176.525 174.900 -0.139 0.000 1.166 973 G CA 0.835 45.848 45.100 -0.145 0.000 0.802 973 G HN 0.439 nan 8.290 nan 0.000 0.533 974 L N 1.287 122.385 121.223 -0.209 0.000 2.043 974 L HA -0.091 4.250 4.340 0.002 0.000 0.212 974 L C 2.142 178.902 176.870 -0.184 0.000 1.075 974 L CA 2.816 57.553 54.840 -0.172 0.000 0.752 974 L CB -0.752 41.100 42.059 -0.345 0.000 0.891 974 L HN 0.302 nan 8.230 nan 0.000 0.432 975 D N -1.892 118.306 120.400 -0.337 0.000 2.097 975 D HA -0.274 4.367 4.640 0.002 0.000 0.195 975 D C 2.227 178.409 176.300 -0.197 0.000 0.989 975 D CA 1.440 55.263 54.000 -0.295 0.000 0.827 975 D CB -0.185 40.293 40.800 -0.537 0.000 0.966 975 D HN 0.569 nan 8.370 nan 0.000 0.456 976 H N -0.258 118.651 119.070 -0.269 0.000 2.293 976 H HA -0.083 4.474 4.556 0.002 0.000 0.300 976 H C 2.175 177.306 175.328 -0.328 0.000 1.082 976 H CA 1.579 57.469 56.048 -0.263 0.000 1.308 976 H CB -0.182 29.421 29.762 -0.265 0.000 1.375 976 H HN 0.084 nan 8.280 nan 0.000 0.495 977 V N 1.547 121.322 119.914 -0.232 0.000 2.287 977 V HA -0.284 3.837 4.120 0.002 0.000 0.248 977 V C 3.006 178.975 176.094 -0.208 0.000 1.053 977 V CA 1.663 63.754 62.300 -0.348 0.000 1.027 977 V CB -0.658 31.061 31.823 -0.173 0.000 0.646 977 V HN 0.348 nan 8.190 nan 0.000 0.447 978 L N -0.069 121.053 121.223 -0.168 0.000 2.131 978 L HA -0.144 4.198 4.340 0.002 0.000 0.210 978 L C 2.575 179.269 176.870 -0.294 0.000 1.092 978 L CA 1.502 56.250 54.840 -0.154 0.000 0.759 978 L CB -0.694 41.289 42.059 -0.127 0.000 0.903 978 L HN 0.388 nan 8.230 nan 0.000 0.435 979 A N -0.286 122.235 122.820 -0.499 0.000 2.119 979 A HA -0.123 4.199 4.320 0.002 0.000 0.216 979 A C 2.432 179.887 177.584 -0.214 0.000 1.152 979 A CA 1.210 52.881 52.037 -0.610 0.000 0.708 979 A CB -0.412 18.203 19.000 -0.642 0.000 0.805 979 A HN 0.496 nan 8.150 nan 0.000 0.460 980 S N -1.114 114.428 115.700 -0.264 0.000 2.474 980 S HA 0.203 4.674 4.470 0.002 0.000 0.235 980 S C 1.696 176.250 174.600 -0.077 0.000 0.997 980 S CA 1.345 59.442 58.200 -0.172 0.000 0.949 980 S CB -0.741 62.393 63.200 -0.110 0.000 0.766 980 S HN 1.874 nan 8.310 nan 0.000 0.517 981 G N 0.511 109.305 108.800 -0.010 0.000 2.196 981 G HA2 -0.315 3.646 3.960 0.002 0.000 0.268 981 G HA3 -0.315 3.646 3.960 0.002 0.000 0.268 981 G C -0.050 174.838 174.900 -0.019 0.000 0.975 981 G CA 0.639 45.715 45.100 -0.041 0.000 0.648 981 G HN 0.650 nan 8.290 nan 0.000 0.538 982 E N 0.160 120.376 120.200 0.027 0.000 2.369 982 E HA 0.352 4.703 4.350 0.002 0.000 0.255 982 E C -0.161 176.432 176.600 -0.011 0.000 1.172 982 E CA -0.390 56.004 56.400 -0.010 0.000 0.932 982 E CB 0.434 30.125 29.700 -0.015 0.000 1.040 982 E HN 0.122 nan 8.360 nan 0.000 0.454 983 D N 1.973 122.334 120.400 -0.064 0.000 2.470 983 D HA 0.108 4.750 4.640 0.002 0.000 0.226 983 D C -1.187 175.048 176.300 -0.108 0.000 1.196 983 D CA -0.145 53.800 54.000 -0.091 0.000 0.979 983 D CB -0.368 40.364 40.800 -0.114 0.000 1.059 983 D HN 0.208 nan 8.370 nan 0.000 0.515 984 V N 0.781 120.643 119.914 -0.086 0.000 3.102 984 V HA 0.675 4.796 4.120 0.002 0.000 0.312 984 V C -0.670 175.303 176.094 -0.201 0.000 1.135 984 V CA -1.120 61.098 62.300 -0.136 0.000 1.022 984 V CB 2.375 34.186 31.823 -0.020 0.000 1.056 984 V HN 0.272 nan 8.190 nan 0.000 0.436 985 N N 1.678 120.147 118.700 -0.385 0.000 2.483 985 N HA 0.506 5.247 4.740 0.002 0.000 0.267 985 N C -0.794 174.630 175.510 -0.142 0.000 0.998 985 N CA -0.209 52.527 53.050 -0.522 0.000 0.918 985 N CB 2.172 39.740 38.487 -1.531 0.000 1.215 985 N HN 0.999 nan 8.380 nan 0.000 0.500 986 V N 1.403 121.408 119.914 0.152 0.000 2.427 986 V HA 0.635 4.756 4.120 0.002 0.000 0.286 986 V C -1.038 175.426 176.094 0.617 0.000 1.034 986 V CA -0.513 62.037 62.300 0.417 0.000 0.893 986 V CB 0.871 32.956 31.823 0.438 0.000 0.982 986 V HN 0.454 nan 8.190 nan 0.000 0.452 987 F N 6.104 126.432 119.950 0.629 0.000 2.460 987 F HA 0.731 5.259 4.527 0.002 0.000 0.341 987 F C -0.515 175.543 175.800 0.431 0.000 1.130 987 F CA -0.753 57.593 58.000 0.577 0.000 0.962 987 F CB 1.824 41.250 39.000 0.710 0.000 1.171 987 F HN 0.487 nan 8.300 nan 0.000 0.436 988 V N 7.499 127.343 119.914 -0.117 0.000 2.370 988 V HA 0.321 4.442 4.120 0.002 0.000 0.279 988 V C -0.070 175.832 176.094 -0.321 0.000 1.029 988 V CA -0.591 61.714 62.300 0.009 0.000 0.870 988 V CB 1.313 33.260 31.823 0.206 0.000 0.984 988 V HN 0.698 nan 8.190 nan 0.000 0.451 989 M N 4.265 123.761 119.600 -0.173 0.000 2.077 989 M HA 0.320 4.801 4.480 0.002 0.000 0.348 989 M C -0.189 176.088 176.300 -0.038 0.000 1.252 989 M CA 0.055 55.233 55.300 -0.202 0.000 1.096 989 M CB 0.436 33.020 32.600 -0.025 0.000 1.568 989 M HN 0.452 nan 8.290 nan 0.000 0.456 990 D N 1.837 122.197 120.400 -0.067 0.000 2.339 990 D HA 0.177 4.819 4.640 0.002 0.000 0.241 990 D C 0.755 176.960 176.300 -0.159 0.000 1.183 990 D CA 0.106 54.110 54.000 0.006 0.000 0.859 990 D CB 1.022 41.941 40.800 0.199 0.000 1.067 990 D HN 0.720 nan 8.370 nan 0.000 0.484 991 T N -0.338 114.166 114.554 -0.083 0.000 3.040 991 T HA 0.093 4.444 4.350 0.002 0.000 0.250 991 T C 0.467 175.115 174.700 -0.087 0.000 1.058 991 T CA -0.281 61.743 62.100 -0.126 0.000 0.988 991 T CB -0.081 68.763 68.868 -0.039 0.000 0.993 991 T HN 0.564 nan 8.240 nan 0.000 0.519 992 E N -0.200 119.974 120.200 -0.043 0.000 2.553 992 E HA -0.108 4.243 4.350 0.002 0.000 0.264 992 E C -0.511 176.076 176.600 -0.022 0.000 1.068 992 E CA 0.273 56.660 56.400 -0.021 0.000 0.774 992 E CB -2.054 27.689 29.700 0.072 0.000 1.349 992 E HN 0.494 nan 8.360 nan 0.000 0.404 993 V N -0.581 119.344 119.914 0.019 0.000 3.143 993 V HA 0.128 4.249 4.120 0.002 0.000 0.264 993 V C -1.808 174.422 176.094 0.225 0.000 1.874 993 V CA -0.970 61.362 62.300 0.054 0.000 0.968 993 V CB 1.235 33.053 31.823 -0.008 0.000 1.351 993 V HN 0.137 nan 8.190 nan 0.000 0.459 994 Y N 2.626 122.925 120.300 -0.002 0.000 2.556 994 Y HA 0.446 4.997 4.550 0.002 0.000 0.352 994 Y C 1.332 177.218 175.900 -0.024 0.000 1.006 994 Y CA 0.284 58.388 58.100 0.006 0.000 1.277 994 Y CB 0.818 39.268 38.460 -0.017 0.000 1.136 994 Y HN 0.655 nan 8.280 nan 0.000 0.523 995 S N 2.339 118.104 115.700 0.108 0.000 2.331 995 S HA -0.196 4.275 4.470 0.002 0.000 0.208 995 S C 1.964 176.574 174.600 0.017 0.000 1.032 995 S CA 1.115 59.345 58.200 0.049 0.000 0.991 995 S CB -0.283 62.947 63.200 0.049 0.000 0.980 995 S HN 0.833 nan 8.310 nan 0.000 0.433 996 N N 1.148 119.844 118.700 -0.007 0.000 2.200 996 N HA -0.214 4.527 4.740 0.002 0.000 0.199 996 N C 1.278 176.754 175.510 -0.058 0.000 0.987 996 N CA 2.593 55.619 53.050 -0.041 0.000 0.908 996 N CB -0.429 38.000 38.487 -0.097 0.000 1.035 996 N HN 0.580 nan 8.380 nan 0.000 0.481 997 T N -6.003 108.516 114.554 -0.057 0.000 3.040 997 T HA 0.476 4.827 4.350 0.002 0.000 0.250 997 T C 1.161 175.841 174.700 -0.034 0.000 1.058 997 T CA 0.244 62.311 62.100 -0.055 0.000 0.988 997 T CB 0.780 69.607 68.868 -0.068 0.000 0.993 997 T HN 0.314 nan 8.240 nan 0.000 0.519 998 G N 0.356 109.144 108.800 -0.020 0.000 3.268 998 G HA2 0.350 4.312 3.960 0.002 0.000 0.220 998 G HA3 0.350 4.312 3.960 0.002 0.000 0.220 998 G C 0.719 175.593 174.900 -0.044 0.000 0.942 998 G CA -0.104 44.971 45.100 -0.042 0.000 0.918 998 G HN 1.205 nan 8.290 nan 0.000 0.658 999 G N -0.247 108.547 108.800 -0.009 0.000 2.295 999 G HA2 -0.169 3.792 3.960 0.002 0.000 0.287 999 G HA3 -0.169 3.792 3.960 0.002 0.000 0.287 999 G C 0.225 175.097 174.900 -0.046 0.000 1.055 999 G CA 0.871 45.957 45.100 -0.022 0.000 0.922 999 G HN 0.894 nan 8.290 nan 0.000 0.503 1000 Q N 0.272 120.069 119.800 -0.004 0.000 2.340 1000 Q HA 0.527 4.868 4.340 0.002 0.000 0.249 1000 Q C 0.902 176.788 176.000 -0.191 0.000 0.957 1000 Q CA 0.476 56.245 55.803 -0.056 0.000 0.882 1000 Q CB 1.201 29.943 28.738 0.006 0.000 1.235 1000 Q HN 0.618 nan 8.270 nan 0.000 0.439 1001 S N 1.368 116.969 115.700 -0.165 0.000 2.533 1001 S HA 0.310 4.781 4.470 0.002 0.000 0.282 1001 S C 0.031 174.392 174.600 -0.398 0.000 1.304 1001 S CA -0.285 57.794 58.200 -0.202 0.000 1.063 1001 S CB 0.372 63.511 63.200 -0.101 0.000 0.881 1001 S HN 0.608 nan 8.310 nan 0.000 0.493 1002 S N 3.459 118.978 115.700 -0.301 0.000 2.747 1002 S HA 0.448 4.919 4.470 0.002 0.000 0.300 1002 S C 0.675 175.210 174.600 -0.108 0.000 1.121 1002 S CA -0.794 57.266 58.200 -0.233 0.000 0.995 1002 S CB 1.087 64.338 63.200 0.086 0.000 1.113 1002 S HN 0.830 nan 8.310 nan 0.000 0.547 1003 K N -0.086 120.299 120.400 -0.024 0.000 2.555 1003 K HA 0.210 4.531 4.320 0.002 0.000 0.193 1003 K C 1.499 178.031 176.600 -0.114 0.000 1.032 1003 K CA 0.780 57.053 56.287 -0.024 0.000 1.004 1003 K CB -0.423 32.106 32.500 0.050 0.000 0.804 1003 K HN 0.658 nan 8.250 nan 0.000 0.496 1004 A N -0.114 122.499 122.820 -0.345 0.000 2.169 1004 A HA 0.078 4.399 4.320 0.002 0.000 0.210 1004 A C 0.589 178.039 177.584 -0.223 0.000 1.168 1004 A CA 0.098 51.752 52.037 -0.638 0.000 0.813 1004 A CB 0.138 18.321 19.000 -1.361 0.000 0.861 1004 A HN 0.139 nan 8.150 nan 0.000 0.481 1005 T N 3.608 118.088 114.554 -0.123 0.000 2.908 1005 T HA 0.312 4.663 4.350 0.002 0.000 0.301 1005 T C -2.424 172.300 174.700 0.040 0.000 1.019 1005 T CA -0.359 61.723 62.100 -0.029 0.000 1.152 1005 T CB 0.644 69.477 68.868 -0.059 0.000 0.966 1005 T HN 0.190 nan 8.240 nan 0.000 0.540 1006 P HA 0.163 nan 4.420 nan 0.000 0.272 1006 P C -0.087 177.342 177.300 0.215 0.000 1.240 1006 P CA -0.507 62.737 63.100 0.240 0.000 0.791 1006 P CB 0.232 32.239 31.700 0.513 0.000 0.978 1007 T N 1.399 116.083 114.554 0.217 0.000 2.867 1007 T HA 0.326 4.677 4.350 0.002 0.000 0.297 1007 T C 1.366 176.221 174.700 0.259 0.000 0.989 1007 T CA 1.603 63.811 62.100 0.180 0.000 1.159 1007 T CB -0.825 68.134 68.868 0.151 0.000 0.928 1007 T HN 0.814 nan 8.240 nan 0.000 0.538 1008 G N 2.567 111.471 108.800 0.174 0.000 2.162 1008 G HA2 -0.127 3.834 3.960 0.002 0.000 0.260 1008 G HA3 -0.127 3.834 3.960 0.002 0.000 0.260 1008 G C 0.267 175.259 174.900 0.154 0.000 0.976 1008 G CA -0.067 45.146 45.100 0.188 0.000 0.655 1008 G HN 1.155 nan 8.290 nan 0.000 0.533 1009 A N -0.106 122.716 122.820 0.003 0.000 2.363 1009 A HA 0.664 4.985 4.320 0.002 0.000 0.270 1009 A C 0.531 177.922 177.584 -0.323 0.000 1.121 1009 A CA 0.160 51.878 52.037 -0.531 0.000 0.800 1009 A CB 1.068 19.785 19.000 -0.472 0.000 1.052 1009 A HN 1.129 nan 8.150 nan 0.000 0.493 1010 V N 2.634 122.329 119.914 -0.364 0.000 2.339 1010 V HA 0.520 4.642 4.120 0.002 0.000 0.261 1010 V C 0.715 176.686 176.094 -0.206 0.000 1.058 1010 V CA 0.601 62.765 62.300 -0.227 0.000 0.897 1010 V CB -0.288 31.427 31.823 -0.179 0.000 1.052 1010 V HN 1.143 nan 8.190 nan 0.000 0.480 1011 A N 5.844 128.561 122.820 -0.172 0.000 2.475 1011 A HA 0.864 5.185 4.320 0.002 0.000 0.281 1011 A C -0.496 176.987 177.584 -0.168 0.000 1.263 1011 A CA -0.978 50.965 52.037 -0.156 0.000 0.776 1011 A CB 1.129 20.047 19.000 -0.136 0.000 1.347 1011 A HN 0.475 nan 8.150 nan 0.000 0.443 1012 K N 0.099 120.384 120.400 -0.191 0.000 2.379 1012 K HA 0.425 4.746 4.320 0.002 0.000 0.284 1012 K C -0.981 175.479 176.600 -0.234 0.000 1.044 1012 K CA 0.111 56.187 56.287 -0.352 0.000 0.974 1012 K CB -0.506 31.733 32.500 -0.434 0.000 0.962 1012 K HN 0.682 nan 8.250 nan 0.000 0.474 1013 F N -0.471 119.412 119.950 -0.112 0.000 2.699 1013 F HA -0.282 4.246 4.527 0.002 0.000 0.343 1013 F C 0.608 176.351 175.800 -0.096 0.000 0.633 1013 F CA 0.911 58.855 58.000 -0.095 0.000 1.365 1013 F CB -1.957 36.981 39.000 -0.103 0.000 1.795 1013 F HN 0.614 nan 8.300 nan 0.000 0.304 1014 A N -0.832 121.981 122.820 -0.011 0.000 2.573 1014 A HA 0.805 5.126 4.320 0.002 0.000 0.269 1014 A C 1.355 178.874 177.584 -0.108 0.000 0.901 1014 A CA 0.346 52.353 52.037 -0.049 0.000 1.066 1014 A CB -0.362 18.601 19.000 -0.061 0.000 1.221 1014 A HN 0.716 nan 8.150 nan 0.000 0.483 1015 A N -0.269 122.480 122.820 -0.118 0.000 2.139 1015 A HA 0.184 4.505 4.320 0.002 0.000 0.221 1015 A C 1.723 179.186 177.584 -0.202 0.000 1.159 1015 A CA 1.869 53.819 52.037 -0.145 0.000 0.662 1015 A CB -0.176 18.752 19.000 -0.121 0.000 0.796 1015 A HN 1.456 nan 8.150 nan 0.000 0.463 1016 A N -1.245 121.432 122.820 -0.237 0.000 2.574 1016 A HA 0.520 4.841 4.320 0.002 0.000 0.283 1016 A C 1.017 178.432 177.584 -0.282 0.000 1.270 1016 A CA 0.624 52.407 52.037 -0.423 0.000 0.945 1016 A CB -0.918 17.823 19.000 -0.433 0.000 1.127 1016 A HN 2.028 nan 8.150 nan 0.000 0.522 1017 G N 0.334 109.024 108.800 -0.183 0.000 3.153 1017 G HA2 -0.138 3.823 3.960 0.002 0.000 0.686 1017 G HA3 -0.138 3.823 3.960 0.002 0.000 0.686 1017 G C -0.305 174.553 174.900 -0.070 0.000 0.995 1017 G CA -0.157 44.875 45.100 -0.113 0.000 0.783 1017 G HN 0.789 nan 8.290 nan 0.000 0.551 1018 K N 1.459 121.831 120.400 -0.047 0.000 2.504 1018 K HA 0.098 4.419 4.320 0.002 0.000 0.278 1018 K C 0.892 177.497 176.600 0.009 0.000 1.025 1018 K CA 0.268 56.544 56.287 -0.018 0.000 1.093 1018 K CB 0.252 32.748 32.500 -0.007 0.000 0.873 1018 K HN 0.406 nan 8.250 nan 0.000 0.483 1019 R N 3.511 124.013 120.500 0.003 0.000 3.179 1019 R HA 0.123 4.464 4.340 0.002 0.000 0.317 1019 R C -0.642 175.672 176.300 0.023 0.000 1.331 1019 R CA -0.094 56.015 56.100 0.015 0.000 1.184 1019 R CB -0.304 29.999 30.300 0.005 0.000 1.408 1019 R HN 0.836 nan 8.270 nan 0.000 0.598 1020 T N -4.183 110.389 114.554 0.029 0.000 2.886 1020 T HA 0.488 4.839 4.350 0.002 0.000 0.330 1020 T C 0.296 175.020 174.700 0.040 0.000 1.488 1020 T CA -0.804 61.313 62.100 0.029 0.000 1.054 1020 T CB 2.099 70.976 68.868 0.015 0.000 1.348 1020 T HN 0.140 nan 8.240 nan 0.000 0.489 1021 G N 0.628 109.451 108.800 0.038 0.000 2.667 1021 G HA2 0.443 4.404 3.960 0.002 0.000 0.250 1021 G HA3 0.443 4.404 3.960 0.002 0.000 0.250 1021 G C -0.248 174.674 174.900 0.036 0.000 1.212 1021 G CA -0.777 44.350 45.100 0.044 0.000 0.874 1021 G HN 0.973 nan 8.290 nan 0.000 0.561 1022 K N -0.035 120.390 120.400 0.043 0.000 2.355 1022 K HA 0.099 4.420 4.320 0.002 0.000 0.270 1022 K C 0.511 177.140 176.600 0.048 0.000 1.003 1022 K CA -0.303 56.008 56.287 0.039 0.000 0.957 1022 K CB 0.430 32.960 32.500 0.050 0.000 0.939 1022 K HN 0.444 nan 8.250 nan 0.000 0.482 1023 K N 3.196 123.645 120.400 0.081 0.000 2.379 1023 K HA -0.045 4.276 4.320 0.002 0.000 0.284 1023 K C -0.629 176.055 176.600 0.140 0.000 1.044 1023 K CA -0.225 56.120 56.287 0.096 0.000 0.974 1023 K CB 0.622 33.214 32.500 0.153 0.000 0.962 1023 K HN 0.487 nan 8.250 nan 0.000 0.474 1024 D N 5.680 126.093 120.400 0.022 0.000 2.517 1024 D HA 0.007 4.648 4.640 0.002 0.000 0.220 1024 D C 0.867 177.125 176.300 -0.071 0.000 1.158 1024 D CA -0.225 53.771 54.000 -0.006 0.000 0.992 1024 D CB 0.449 41.221 40.800 -0.047 0.000 1.058 1024 D HN 0.524 nan 8.370 nan 0.000 0.516 1025 L N 3.931 125.082 121.223 -0.120 0.000 2.056 1025 L HA -0.022 4.319 4.340 0.002 0.000 0.207 1025 L C 2.064 178.862 176.870 -0.119 0.000 1.078 1025 L CA 1.944 56.628 54.840 -0.260 0.000 0.749 1025 L CB -0.649 41.044 42.059 -0.611 0.000 0.901 1025 L HN 0.330 nan 8.230 nan 0.000 0.433 1026 A N -0.234 122.557 122.820 -0.047 0.000 1.865 1026 A HA -0.225 4.096 4.320 0.002 0.000 0.217 1026 A C 2.416 179.979 177.584 -0.034 0.000 1.191 1026 A CA 1.906 53.968 52.037 0.042 0.000 0.623 1026 A CB -0.582 18.564 19.000 0.242 0.000 0.826 1026 A HN 0.489 nan 8.150 nan 0.000 0.444 1027 R N -1.346 119.104 120.500 -0.084 0.000 2.148 1027 R HA 0.023 4.364 4.340 0.002 0.000 0.227 1027 R C 2.205 178.403 176.300 -0.171 0.000 1.103 1027 R CA 1.271 57.267 56.100 -0.173 0.000 0.983 1027 R CB -0.360 29.820 30.300 -0.200 0.000 0.874 1027 R HN 0.570 nan 8.270 nan 0.000 0.451 1028 M N 0.199 119.720 119.600 -0.130 0.000 2.132 1028 M HA -0.133 4.348 4.480 0.002 0.000 0.263 1028 M C 2.339 178.555 176.300 -0.140 0.000 1.065 1028 M CA 1.495 56.720 55.300 -0.125 0.000 1.122 1028 M CB -0.061 32.493 32.600 -0.077 0.000 1.365 1028 M HN 0.105 nan 8.290 nan 0.000 0.411 1029 V N -1.564 118.300 119.914 -0.084 0.000 3.235 1029 V HA -0.045 4.076 4.120 0.002 0.000 0.259 1029 V C 1.720 177.733 176.094 -0.135 0.000 1.133 1029 V CA 0.899 63.182 62.300 -0.028 0.000 1.128 1029 V CB -0.419 31.450 31.823 0.075 0.000 0.757 1029 V HN 0.437 nan 8.190 nan 0.000 0.469 1030 M N 1.692 121.145 119.600 -0.245 0.000 2.549 1030 M HA -0.086 4.395 4.480 0.002 0.000 0.260 1030 M C 2.080 178.089 176.300 -0.485 0.000 1.076 1030 M CA 1.869 56.889 55.300 -0.466 0.000 1.090 1030 M CB -0.475 31.845 32.600 -0.466 0.000 1.418 1030 M HN 0.772 nan 8.290 nan 0.000 0.486 1031 T N -2.724 111.604 114.554 -0.376 0.000 2.995 1031 T HA -0.129 4.222 4.350 0.002 0.000 0.269 1031 T C 1.420 175.903 174.700 -0.362 0.000 1.091 1031 T CA 0.798 62.682 62.100 -0.360 0.000 1.128 1031 T CB -0.488 68.162 68.868 -0.364 0.000 0.891 1031 T HN 0.271 nan 8.240 nan 0.000 0.492 1032 Y N 2.482 122.568 120.300 -0.358 0.000 2.114 1032 Y HA 0.180 4.731 4.550 0.002 0.000 0.284 1032 Y C 2.661 178.309 175.900 -0.420 0.000 1.143 1032 Y CA 1.107 58.911 58.100 -0.494 0.000 1.135 1032 Y CB -0.916 37.078 38.460 -0.776 0.000 0.980 1032 Y HN 0.467 nan 8.280 nan 0.000 0.499 1033 G N -1.750 106.918 108.800 -0.220 0.000 2.254 1033 G HA2 -0.336 3.626 3.960 0.002 0.000 0.225 1033 G HA3 -0.336 3.626 3.960 0.002 0.000 0.225 1033 G C 0.643 175.629 174.900 0.144 0.000 1.003 1033 G CA 0.372 45.456 45.100 -0.026 0.000 0.622 1033 G HN 0.551 nan 8.290 nan 0.000 0.507 1034 Y N -0.053 120.347 120.300 0.166 0.000 2.636 1034 Y HA 0.767 5.318 4.550 0.002 0.000 0.260 1034 Y C 0.197 176.189 175.900 0.152 0.000 1.177 1034 Y CA -1.108 57.115 58.100 0.205 0.000 1.209 1034 Y CB 0.014 38.721 38.460 0.412 0.000 1.166 1034 Y HN 0.203 nan 8.280 nan 0.000 0.531 1035 V N 2.060 121.977 119.914 0.006 0.000 2.409 1035 V HA 0.162 4.283 4.120 0.002 0.000 0.291 1035 V C -0.877 175.130 176.094 -0.145 0.000 1.020 1035 V CA -1.226 61.093 62.300 0.032 0.000 0.848 1035 V CB 0.892 32.688 31.823 -0.046 0.000 0.990 1035 V HN 0.300 nan 8.190 nan 0.000 0.430 1036 Y N 5.850 125.909 120.300 -0.400 0.000 2.569 1036 Y HA 0.403 4.954 4.550 0.002 0.000 0.332 1036 Y C -0.208 175.636 175.900 -0.093 0.000 1.120 1036 Y CA 0.301 58.146 58.100 -0.426 0.000 1.416 1036 Y CB 0.733 38.894 38.460 -0.499 0.000 1.210 1036 Y HN 0.391 nan 8.280 nan 0.000 0.528 1037 V N 6.037 125.770 119.914 -0.303 0.000 2.577 1037 V HA 0.870 4.992 4.120 0.002 0.000 0.303 1037 V C -0.517 175.533 176.094 -0.075 0.000 1.042 1037 V CA -0.439 61.831 62.300 -0.049 0.000 0.872 1037 V CB 1.038 32.855 31.823 -0.009 0.000 0.998 1037 V HN 0.970 nan 8.190 nan 0.000 0.423 1038 A N 3.142 126.020 122.820 0.096 0.000 2.587 1038 A HA 0.998 5.319 4.320 0.002 0.000 0.293 1038 A C -0.333 177.256 177.584 0.009 0.000 1.087 1038 A CA -0.297 51.779 52.037 0.065 0.000 0.692 1038 A CB 2.292 21.426 19.000 0.223 0.000 1.291 1038 A HN 0.982 nan 8.150 nan 0.000 0.407 1039 T N -1.521 112.890 114.554 -0.239 0.000 2.924 1039 T HA 0.867 5.218 4.350 0.002 0.000 0.291 1039 T C -0.157 174.576 174.700 0.055 0.000 1.045 1039 T CA -0.058 61.909 62.100 -0.221 0.000 1.015 1039 T CB 1.060 69.456 68.868 -0.786 0.000 1.103 1039 T HN 2.207 nan 8.240 nan 0.000 0.496 1040 V N -2.287 117.824 119.914 0.329 0.000 3.202 1040 V HA 0.978 5.099 4.120 0.002 0.000 0.306 1040 V C -0.850 175.547 176.094 0.505 0.000 1.283 1040 V CA -0.805 61.747 62.300 0.419 0.000 1.065 1040 V CB 1.484 33.605 31.823 0.496 0.000 1.079 1040 V HN 1.244 nan 8.190 nan 0.000 0.448 1041 S N 0.648 116.590 115.700 0.403 0.000 2.626 1041 S HA 0.423 4.894 4.470 0.002 0.000 0.275 1041 S C 0.073 174.842 174.600 0.282 0.000 1.175 1041 S CA 0.050 58.438 58.200 0.313 0.000 0.982 1041 S CB 1.659 64.995 63.200 0.227 0.000 1.093 1041 S HN 1.155 nan 8.310 nan 0.000 0.472 1042 M N 4.704 124.412 119.600 0.181 0.000 2.077 1042 M HA 0.132 4.614 4.480 0.002 0.000 0.261 1042 M C 1.958 178.326 176.300 0.113 0.000 1.070 1042 M CA 2.607 57.926 55.300 0.031 0.000 1.125 1042 M CB -0.829 31.577 32.600 -0.323 0.000 1.339 1042 M HN 0.814 nan 8.290 nan 0.000 0.409 1043 G N -1.038 107.827 108.800 0.109 0.000 2.485 1043 G HA2 -0.304 3.657 3.960 0.002 0.000 0.221 1043 G HA3 -0.304 3.657 3.960 0.002 0.000 0.221 1043 G C 1.191 176.192 174.900 0.168 0.000 1.115 1043 G CA 1.252 46.422 45.100 0.116 0.000 0.751 1043 G HN 0.607 nan 8.290 nan 0.000 0.567 1044 Y N 0.597 120.935 120.300 0.063 0.000 2.190 1044 Y HA 0.398 4.949 4.550 0.001 0.000 0.290 1044 Y C 1.110 177.054 175.900 0.073 0.000 1.115 1044 Y CA 0.972 59.111 58.100 0.065 0.000 1.107 1044 Y CB 0.223 38.733 38.460 0.083 0.000 1.033 1044 Y HN 0.110 nan 8.280 nan 0.000 0.502 1045 S N 0.071 115.856 115.700 0.141 0.000 2.733 1045 S HA 0.331 4.802 4.470 0.002 0.000 0.294 1045 S C -0.079 174.623 174.600 0.169 0.000 1.149 1045 S CA -0.750 57.460 58.200 0.017 0.000 1.034 1045 S CB 1.075 64.264 63.200 -0.018 0.000 1.015 1045 S HN 0.377 nan 8.310 nan 0.000 0.486 1046 K N 2.628 123.078 120.400 0.083 0.000 2.314 1046 K HA 0.016 4.337 4.320 0.002 0.000 0.198 1046 K C 1.407 178.091 176.600 0.139 0.000 1.045 1046 K CA 0.638 57.015 56.287 0.149 0.000 0.988 1046 K CB 0.117 32.428 32.500 -0.315 0.000 0.783 1046 K HN 0.464 nan 8.250 nan 0.000 0.484 1047 Q N 0.856 120.683 119.800 0.044 0.000 2.083 1047 Q HA -0.099 4.242 4.340 0.002 0.000 0.198 1047 Q C 2.039 178.114 176.000 0.125 0.000 0.969 1047 Q CA 1.094 56.920 55.803 0.039 0.000 0.838 1047 Q CB -0.085 28.648 28.738 -0.009 0.000 0.900 1047 Q HN 0.171 nan 8.270 nan 0.000 0.436 1048 Q N -0.512 119.391 119.800 0.172 0.000 2.230 1048 Q HA -0.107 4.234 4.340 0.002 0.000 0.202 1048 Q C 1.621 177.830 176.000 0.347 0.000 0.963 1048 Q CA 0.783 56.721 55.803 0.226 0.000 0.866 1048 Q CB -0.026 28.852 28.738 0.232 0.000 0.931 1048 Q HN 0.390 nan 8.270 nan 0.000 0.452 1049 F N 1.101 121.193 119.950 0.236 0.000 2.098 1049 F HA -0.107 4.422 4.527 0.002 0.000 0.294 1049 F C 1.887 177.849 175.800 0.270 0.000 1.107 1049 F CA 1.084 59.270 58.000 0.310 0.000 1.234 1049 F CB -0.647 38.579 39.000 0.377 0.000 1.002 1049 F HN 0.013 nan 8.300 nan 0.000 0.472 1050 L N 0.289 121.581 121.223 0.116 0.000 2.131 1050 L HA -0.225 4.116 4.340 0.002 0.000 0.210 1050 L C 2.546 179.433 176.870 0.029 0.000 1.092 1050 L CA 1.611 56.425 54.840 -0.043 0.000 0.759 1050 L CB -0.747 41.331 42.059 0.032 0.000 0.903 1050 L HN 0.148 nan 8.230 nan 0.000 0.435 1051 K N -0.119 120.347 120.400 0.109 0.000 2.217 1051 K HA -0.091 4.230 4.320 0.002 0.000 0.202 1051 K C 1.907 178.607 176.600 0.167 0.000 1.051 1051 K CA 0.721 57.082 56.287 0.124 0.000 0.952 1051 K CB 0.293 32.870 32.500 0.129 0.000 0.736 1051 K HN 0.111 nan 8.250 nan 0.000 0.453 1052 V N 1.243 121.288 119.914 0.218 0.000 2.446 1052 V HA -0.144 3.977 4.120 0.002 0.000 0.244 1052 V C 2.165 178.401 176.094 0.236 0.000 1.039 1052 V CA 0.934 63.412 62.300 0.297 0.000 1.045 1052 V CB -0.124 31.952 31.823 0.421 0.000 0.681 1052 V HN 0.285 nan 8.190 nan 0.000 0.459 1053 L N 0.012 121.333 121.223 0.162 0.000 1.989 1053 L HA -0.205 4.136 4.340 0.002 0.000 0.211 1053 L C 2.712 179.808 176.870 0.377 0.000 1.071 1053 L CA 1.811 56.805 54.840 0.255 0.000 0.749 1053 L CB -0.690 41.342 42.059 -0.046 0.000 0.890 1053 L HN 0.278 nan 8.230 nan 0.000 0.431 1054 K N 0.642 121.172 120.400 0.217 0.000 2.063 1054 K HA -0.212 4.110 4.320 0.002 0.000 0.208 1054 K C 1.847 178.530 176.600 0.138 0.000 1.048 1054 K CA 1.734 58.152 56.287 0.219 0.000 0.928 1054 K CB -0.036 32.536 32.500 0.120 0.000 0.713 1054 K HN 0.418 nan 8.250 nan 0.000 0.442 1055 E N -0.314 119.919 120.200 0.055 0.000 2.107 1055 E HA -0.116 4.235 4.350 0.002 0.000 0.191 1055 E C 1.960 178.282 176.600 -0.463 0.000 0.982 1055 E CA 0.874 57.216 56.400 -0.096 0.000 0.809 1055 E CB -0.035 29.670 29.700 0.008 0.000 0.756 1055 E HN 0.379 nan 8.360 nan 0.000 0.459 1056 A N 1.554 124.062 122.820 -0.522 0.000 1.873 1056 A HA -0.184 4.137 4.320 0.002 0.000 0.215 1056 A C 2.125 179.547 177.584 -0.271 0.000 1.186 1056 A CA 1.093 52.762 52.037 -0.614 0.000 0.616 1056 A CB -0.301 18.609 19.000 -0.150 0.000 0.823 1056 A HN 0.067 nan 8.150 nan 0.000 0.442 1057 E N 0.650 120.768 120.200 -0.137 0.000 2.153 1057 E HA -0.142 4.209 4.350 0.002 0.000 0.194 1057 E C 2.219 178.724 176.600 -0.159 0.000 0.988 1057 E CA 1.565 57.811 56.400 -0.256 0.000 0.811 1057 E CB -0.152 29.314 29.700 -0.390 0.000 0.746 1057 E HN 0.690 nan 8.360 nan 0.000 0.466 1058 S N -0.513 115.156 115.700 -0.052 0.000 2.501 1058 S HA -0.016 4.455 4.470 0.002 0.000 0.220 1058 S C 0.772 175.390 174.600 0.030 0.000 0.997 1058 S CA -0.517 57.682 58.200 -0.001 0.000 0.919 1058 S CB -0.411 62.820 63.200 0.052 0.000 0.778 1058 S HN 0.176 nan 8.310 nan 0.000 0.523 1059 F N 6.202 126.078 119.950 -0.124 0.000 2.533 1059 F HA 0.349 4.877 4.527 0.002 0.000 0.378 1059 F C -2.381 173.406 175.800 -0.021 0.000 1.070 1059 F CA -3.099 54.868 58.000 -0.055 0.000 1.172 1059 F CB 0.530 39.487 39.000 -0.072 0.000 1.085 1059 F HN 0.016 nan 8.300 nan 0.000 0.552 1060 P HA 0.269 nan 4.420 nan 0.000 0.252 1060 P C -0.026 176.867 177.300 -0.678 0.000 1.694 1060 P CA 0.544 63.390 63.100 -0.423 0.000 1.163 1060 P CB -0.149 31.413 31.700 -0.230 0.000 1.934 1061 G N 3.150 111.624 108.800 -0.543 0.000 2.343 1061 G HA2 0.186 4.147 3.960 0.002 0.000 0.289 1061 G HA3 0.186 4.147 3.960 0.002 0.000 0.289 1061 G C -3.594 171.350 174.900 0.073 0.000 1.295 1061 G CA -0.911 44.014 45.100 -0.293 0.000 0.869 1061 G HN -0.016 nan 8.290 nan 0.000 0.522 1062 P HA 0.432 nan 4.420 nan 0.000 0.269 1062 P C -0.591 176.913 177.300 0.339 0.000 1.215 1062 P CA 0.150 63.392 63.100 0.236 0.000 0.780 1062 P CB 1.106 32.928 31.700 0.204 0.000 0.898 1063 S N 1.524 117.347 115.700 0.204 0.000 2.572 1063 S HA 0.479 4.951 4.470 0.002 0.000 0.274 1063 S C -1.170 173.565 174.600 0.226 0.000 1.150 1063 S CA -0.705 57.642 58.200 0.245 0.000 0.944 1063 S CB 0.888 64.153 63.200 0.108 0.000 1.071 1063 S HN 0.331 nan 8.310 nan 0.000 0.479 1064 L N 3.311 124.699 121.223 0.274 0.000 2.322 1064 L HA 0.766 5.107 4.340 0.002 0.000 0.281 1064 L C -1.540 175.520 176.870 0.317 0.000 1.014 1064 L CA -0.721 54.267 54.840 0.247 0.000 0.815 1064 L CB 1.490 43.642 42.059 0.155 0.000 1.247 1064 L HN 0.531 nan 8.230 nan 0.000 0.421 1065 V N 6.274 126.403 119.914 0.358 0.000 2.488 1065 V HA 0.410 4.531 4.120 0.002 0.000 0.293 1065 V C -0.100 176.100 176.094 0.176 0.000 1.027 1065 V CA -0.383 62.160 62.300 0.406 0.000 0.862 1065 V CB 1.807 34.083 31.823 0.755 0.000 1.008 1065 V HN 0.529 nan 8.190 nan 0.000 0.428 1066 I N 4.066 124.711 120.570 0.125 0.000 2.354 1066 I HA 0.806 4.977 4.170 0.002 0.000 0.292 1066 I C 0.338 176.554 176.117 0.164 0.000 0.989 1066 I CA -0.490 60.861 61.300 0.085 0.000 1.188 1066 I CB 1.781 39.870 38.000 0.149 0.000 1.342 1066 I HN 0.629 nan 8.210 nan 0.000 0.457 1067 A N 5.700 128.475 122.820 -0.075 0.000 2.355 1067 A HA 0.485 4.807 4.320 0.002 0.000 0.317 1067 A C -1.172 176.287 177.584 -0.209 0.000 1.094 1067 A CA -0.495 51.438 52.037 -0.174 0.000 0.764 1067 A CB 0.896 19.319 19.000 -0.963 0.000 1.230 1067 A HN 0.640 nan 8.150 nan 0.000 0.448 1068 Y N 2.241 122.251 120.300 -0.483 0.000 2.496 1068 Y HA 0.385 4.936 4.550 0.003 0.000 0.334 1068 Y C 0.382 176.103 175.900 -0.299 0.000 1.080 1068 Y CA 0.532 58.096 58.100 -0.893 0.000 1.355 1068 Y CB 0.332 37.983 38.460 -1.349 0.000 1.193 1068 Y HN 0.838 nan 8.280 nan 0.000 0.523 1069 A N 5.144 127.621 122.820 -0.571 0.000 2.343 1069 A HA 0.582 4.903 4.320 0.002 0.000 0.316 1069 A C -0.092 177.270 177.584 -0.370 0.000 1.104 1069 A CA -0.323 51.569 52.037 -0.243 0.000 0.768 1069 A CB 0.454 19.385 19.000 -0.115 0.000 1.213 1069 A HN 0.784 nan 8.150 nan 0.000 0.456 1070 T N -1.423 113.028 114.554 -0.172 0.000 2.816 1070 T HA 0.589 4.940 4.350 0.002 0.000 0.282 1070 T C 0.089 174.738 174.700 -0.085 0.000 0.993 1070 T CA -0.513 61.505 62.100 -0.136 0.000 0.994 1070 T CB 1.152 70.009 68.868 -0.019 0.000 1.025 1070 T HN 1.452 nan 8.240 nan 0.000 0.529 1071 C N 0.967 120.231 119.300 -0.061 0.000 3.307 1071 C HA 0.481 4.942 4.460 0.002 0.000 0.333 1071 C C 1.685 176.662 174.990 -0.022 0.000 1.291 1071 C CA -0.719 58.280 59.018 -0.032 0.000 1.273 1071 C CB 0.203 27.920 27.740 -0.038 0.000 1.580 1071 C HN 1.075 nan 8.230 nan 0.000 0.481 1072 I N 0.926 121.492 120.570 -0.008 0.000 2.315 1072 I HA -0.084 4.087 4.170 0.002 0.000 0.248 1072 I C 1.595 177.698 176.117 -0.024 0.000 1.117 1072 I CA 2.099 63.394 61.300 -0.009 0.000 1.404 1072 I CB -0.632 37.369 38.000 0.002 0.000 1.071 1072 I HN 0.759 nan 8.210 nan 0.000 0.419 1073 N N 1.516 120.199 118.700 -0.028 0.000 2.289 1073 N HA -0.202 4.540 4.740 0.002 0.000 0.184 1073 N C 1.828 177.299 175.510 -0.065 0.000 1.016 1073 N CA 1.413 54.435 53.050 -0.045 0.000 0.872 1073 N CB -0.179 38.284 38.487 -0.040 0.000 0.973 1073 N HN 0.650 nan 8.380 nan 0.000 0.433 1074 Q N 0.283 120.047 119.800 -0.061 0.000 2.297 1074 Q HA 0.054 4.396 4.340 0.002 0.000 0.204 1074 Q C 0.723 176.686 176.000 -0.063 0.000 0.962 1074 Q CA 0.727 56.488 55.803 -0.070 0.000 0.879 1074 Q CB 0.022 28.732 28.738 -0.046 0.000 0.947 1074 Q HN 0.230 nan 8.270 nan 0.000 0.462 1075 G N 2.316 111.087 108.800 -0.048 0.000 2.385 1075 G HA2 -0.231 3.731 3.960 0.002 0.000 0.294 1075 G HA3 -0.231 3.731 3.960 0.002 0.000 0.294 1075 G C -0.319 174.561 174.900 -0.032 0.000 1.070 1075 G CA -0.189 44.887 45.100 -0.039 0.000 1.172 1075 G HN 0.307 nan 8.290 nan 0.000 0.516 1076 L N 1.203 122.411 121.223 -0.024 0.000 2.485 1076 L HA 0.185 4.526 4.340 0.002 0.000 0.279 1076 L C 2.110 178.971 176.870 -0.016 0.000 1.124 1076 L CA -0.201 54.626 54.840 -0.022 0.000 0.888 1076 L CB 0.379 42.435 42.059 -0.006 0.000 1.217 1076 L HN 0.585 nan 8.230 nan 0.000 0.464 1077 R N 3.461 123.948 120.500 -0.020 0.000 2.134 1077 R HA -0.207 4.134 4.340 0.002 0.000 0.248 1077 R C 1.460 177.757 176.300 -0.005 0.000 1.143 1077 R CA 1.981 58.073 56.100 -0.013 0.000 0.957 1077 R CB 0.107 30.398 30.300 -0.015 0.000 0.867 1077 R HN 0.557 nan 8.270 nan 0.000 0.441 1078 K N -0.626 119.773 120.400 -0.003 0.000 2.444 1078 K HA 0.162 4.483 4.320 0.002 0.000 0.193 1078 K C 0.077 176.681 176.600 0.008 0.000 1.024 1078 K CA 0.365 56.654 56.287 0.004 0.000 1.077 1078 K CB 1.037 33.541 32.500 0.007 0.000 0.833 1078 K HN 0.496 nan 8.250 nan 0.000 0.517 1079 G N 0.381 109.184 108.800 0.006 0.000 2.440 1079 G HA2 -0.162 3.799 3.960 0.002 0.000 0.684 1079 G HA3 -0.162 3.799 3.960 0.002 0.000 0.684 1079 G C 0.001 174.908 174.900 0.013 0.000 1.309 1079 G CA -0.886 44.219 45.100 0.010 0.000 0.931 1079 G HN -0.132 nan 8.290 nan 0.000 0.612 1080 M N 1.106 120.715 119.600 0.014 0.000 2.619 1080 M HA 0.107 4.588 4.480 0.002 0.000 0.251 1080 M C 2.446 178.757 176.300 0.019 0.000 1.106 1080 M CA 1.621 56.930 55.300 0.016 0.000 1.086 1080 M CB -0.964 31.645 32.600 0.015 0.000 1.465 1080 M HN 0.926 nan 8.290 nan 0.000 0.506 1081 G N 0.150 108.962 108.800 0.020 0.000 2.448 1081 G HA2 -0.151 3.811 3.960 0.002 0.000 0.218 1081 G HA3 -0.151 3.811 3.960 0.002 0.000 0.218 1081 G C 1.604 176.520 174.900 0.026 0.000 1.135 1081 G CA 0.356 45.469 45.100 0.022 0.000 0.784 1081 G HN 0.257 nan 8.290 nan 0.000 0.543 1082 K N 1.149 121.565 120.400 0.027 0.000 2.505 1082 K HA 0.182 4.503 4.320 0.002 0.000 0.192 1082 K C 2.295 178.923 176.600 0.047 0.000 1.025 1082 K CA 0.164 56.471 56.287 0.034 0.000 1.086 1082 K CB 0.188 32.705 32.500 0.028 0.000 0.840 1082 K HN 0.263 nan 8.250 nan 0.000 0.514 1083 S N 1.284 117.010 115.700 0.042 0.000 2.351 1083 S HA -0.185 4.287 4.470 0.002 0.000 0.220 1083 S C 1.768 176.412 174.600 0.074 0.000 1.035 1083 S CA 1.313 59.546 58.200 0.056 0.000 1.031 1083 S CB 0.138 63.355 63.200 0.029 0.000 0.928 1083 S HN 0.300 nan 8.310 nan 0.000 0.433 1084 Q N 0.594 120.425 119.800 0.051 0.000 2.077 1084 Q HA -0.187 4.154 4.340 0.002 0.000 0.206 1084 Q C 1.949 177.995 176.000 0.076 0.000 0.989 1084 Q CA 2.057 57.893 55.803 0.056 0.000 0.853 1084 Q CB -0.990 27.771 28.738 0.038 0.000 0.907 1084 Q HN 0.715 nan 8.270 nan 0.000 0.418 1085 D N -0.250 120.191 120.400 0.068 0.000 2.158 1085 D HA -0.134 4.507 4.640 0.002 0.000 0.197 1085 D C 1.836 178.195 176.300 0.097 0.000 0.995 1085 D CA 0.963 55.007 54.000 0.073 0.000 0.846 1085 D CB 0.153 40.988 40.800 0.058 0.000 0.941 1085 D HN 0.016 nan 8.370 nan 0.000 0.456 1086 V N 0.159 120.142 119.914 0.116 0.000 2.379 1086 V HA -0.214 3.908 4.120 0.002 0.000 0.245 1086 V C 2.407 178.607 176.094 0.177 0.000 1.044 1086 V CA 1.603 64.008 62.300 0.176 0.000 1.036 1086 V CB -0.376 31.551 31.823 0.174 0.000 0.664 1086 V HN 0.350 nan 8.190 nan 0.000 0.453 1087 M N -0.122 119.573 119.600 0.157 0.000 2.108 1087 M HA -0.229 4.252 4.480 0.002 0.000 0.261 1087 M C 2.148 178.445 176.300 -0.005 0.000 1.066 1087 M CA 2.246 57.598 55.300 0.087 0.000 1.107 1087 M CB -0.923 31.779 32.600 0.169 0.000 1.356 1087 M HN 0.466 nan 8.290 nan 0.000 0.406 1088 N N -0.261 118.490 118.700 0.085 0.000 2.166 1088 N HA -0.143 4.599 4.740 0.002 0.000 0.186 1088 N C 1.330 176.863 175.510 0.039 0.000 1.019 1088 N CA 1.571 54.702 53.050 0.134 0.000 0.856 1088 N CB 0.164 38.738 38.487 0.144 0.000 0.993 1088 N HN 0.260 nan 8.380 nan 0.000 0.426 1089 T N 0.002 114.558 114.554 0.004 0.000 2.951 1089 T HA 0.057 4.408 4.350 0.002 0.000 0.268 1089 T C 1.795 176.248 174.700 -0.412 0.000 1.073 1089 T CA 0.808 62.862 62.100 -0.076 0.000 1.134 1089 T CB -0.159 68.770 68.868 0.102 0.000 0.884 1089 T HN 0.388 nan 8.240 nan 0.000 0.479 1090 A N 0.825 123.350 122.820 -0.492 0.000 2.019 1090 A HA -0.004 4.318 4.320 0.002 0.000 0.219 1090 A C 2.398 179.737 177.584 -0.408 0.000 1.164 1090 A CA 1.140 52.692 52.037 -0.808 0.000 0.644 1090 A CB -0.550 17.934 19.000 -0.859 0.000 0.805 1090 A HN 0.400 nan 8.150 nan 0.000 0.449 1091 V N -0.410 119.308 119.914 -0.327 0.000 2.685 1091 V HA -0.110 4.011 4.120 0.002 0.000 0.244 1091 V C 2.246 178.121 176.094 -0.365 0.000 1.054 1091 V CA 1.602 63.679 62.300 -0.372 0.000 1.076 1091 V CB -0.490 30.832 31.823 -0.834 0.000 0.725 1091 V HN 0.457 nan 8.190 nan 0.000 0.467 1092 K N 1.503 121.737 120.400 -0.277 0.000 2.002 1092 K HA -0.155 4.166 4.320 0.002 0.000 0.209 1092 K C 2.400 178.893 176.600 -0.179 0.000 1.048 1092 K CA 1.846 58.043 56.287 -0.150 0.000 0.930 1092 K CB -0.537 31.940 32.500 -0.037 0.000 0.714 1092 K HN 0.593 nan 8.250 nan 0.000 0.438 1093 S N -0.174 115.385 115.700 -0.236 0.000 2.440 1093 S HA -0.128 4.344 4.470 0.002 0.000 0.240 1093 S C 1.628 176.123 174.600 -0.175 0.000 1.014 1093 S CA 1.307 59.370 58.200 -0.228 0.000 0.980 1093 S CB -0.513 62.449 63.200 -0.398 0.000 0.775 1093 S HN 0.561 nan 8.310 nan 0.000 0.499 1094 G N -0.178 108.521 108.800 -0.169 0.000 2.195 1094 G HA2 -0.379 3.582 3.960 0.002 0.000 0.246 1094 G HA3 -0.379 3.582 3.960 0.002 0.000 0.246 1094 G C 0.403 175.305 174.900 0.003 0.000 0.984 1094 G CA 0.437 45.469 45.100 -0.113 0.000 0.633 1094 G HN 0.583 nan 8.290 nan 0.000 0.525 1095 Y N -0.232 119.960 120.300 -0.180 0.000 2.165 1095 Y HA 0.118 4.670 4.550 0.002 0.000 0.286 1095 Y C 1.235 177.185 175.900 0.083 0.000 1.155 1095 Y CA 2.151 60.190 58.100 -0.102 0.000 1.164 1095 Y CB 0.184 38.431 38.460 -0.355 0.000 0.978 1095 Y HN 0.386 nan 8.280 nan 0.000 0.513 1096 W N 3.964 125.174 121.300 -0.150 0.000 2.533 1096 W HA 0.313 4.973 4.660 0.001 0.000 0.291 1096 W C -3.163 173.293 176.519 -0.106 0.000 1.013 1096 W CA -2.181 55.075 57.345 -0.148 0.000 1.436 1096 W CB 1.328 30.693 29.460 -0.159 0.000 1.291 1096 W HN -0.070 nan 8.180 nan 0.000 0.396 1097 P HA 0.300 nan 4.420 nan 0.000 0.286 1097 P C -0.679 176.494 177.300 -0.212 0.000 1.261 1097 P CA -0.192 62.917 63.100 0.014 0.000 0.821 1097 P CB 2.091 33.953 31.700 0.270 0.000 1.013 1098 L N 4.091 125.258 121.223 -0.093 0.000 2.264 1098 L HA 0.504 4.845 4.340 0.002 0.000 0.289 1098 L C 0.229 177.036 176.870 -0.106 0.000 1.044 1098 L CA -0.562 54.171 54.840 -0.178 0.000 0.807 1098 L CB -0.080 42.015 42.059 0.060 0.000 1.192 1098 L HN 0.423 nan 8.230 nan 0.000 0.425 1099 F N 1.095 120.979 119.950 -0.111 0.000 2.726 1099 F HA 0.835 5.363 4.527 0.002 0.000 0.324 1099 F C -0.680 174.959 175.800 -0.268 0.000 1.140 1099 F CA -1.413 56.412 58.000 -0.292 0.000 0.964 1099 F CB 1.618 40.351 39.000 -0.445 0.000 1.399 1099 F HN 0.183 nan 8.300 nan 0.000 0.491 1100 R N 0.142 120.558 120.500 -0.139 0.000 2.535 1100 R HA 0.343 4.684 4.340 0.002 0.000 0.274 1100 R C -2.525 173.562 176.300 -0.356 0.000 1.090 1100 R CA -0.833 55.143 56.100 -0.207 0.000 0.930 1100 R CB 2.455 32.653 30.300 -0.169 0.000 1.223 1100 R HN 0.823 nan 8.270 nan 0.000 0.441 1101 Y N 2.478 122.496 120.300 -0.469 0.000 2.376 1101 Y HA 0.291 4.842 4.550 0.002 0.000 0.326 1101 Y C -1.246 174.268 175.900 -0.643 0.000 0.970 1101 Y CA -1.109 56.762 58.100 -0.383 0.000 1.248 1101 Y CB 1.109 39.463 38.460 -0.178 0.000 1.117 1101 Y HN 0.484 nan 8.280 nan 0.000 0.476 1102 D N 8.251 128.299 120.400 -0.587 0.000 2.454 1102 D HA 0.388 5.029 4.640 0.002 0.000 0.247 1102 D C -2.282 173.795 176.300 -0.372 0.000 1.129 1102 D CA -2.681 51.053 54.000 -0.444 0.000 0.877 1102 D CB 2.199 42.905 40.800 -0.158 0.000 1.082 1102 D HN 0.265 nan 8.370 nan 0.000 0.537 1103 P HA -0.174 nan 4.420 nan 0.000 0.220 1103 P C 1.216 178.498 177.300 -0.029 0.000 1.144 1103 P CA 0.920 63.873 63.100 -0.246 0.000 0.800 1103 P CB 0.090 31.467 31.700 -0.539 0.000 0.772 1104 R N -0.588 119.945 120.500 0.055 0.000 2.189 1104 R HA -0.019 4.323 4.340 0.002 0.000 0.223 1104 R C 1.859 178.245 176.300 0.143 0.000 1.092 1104 R CA 1.019 57.276 56.100 0.261 0.000 0.989 1104 R CB -1.570 28.922 30.300 0.319 0.000 0.876 1104 R HN 0.267 nan 8.270 nan 0.000 0.457 1105 L N 0.973 122.199 121.223 0.006 0.000 2.056 1105 L HA -0.013 4.328 4.340 0.002 0.000 0.207 1105 L C 2.690 179.530 176.870 -0.050 0.000 1.078 1105 L CA 1.547 56.352 54.840 -0.059 0.000 0.749 1105 L CB -0.909 41.039 42.059 -0.186 0.000 0.901 1105 L HN 0.259 nan 8.230 nan 0.000 0.433 1106 A N 0.170 122.955 122.820 -0.058 0.000 1.972 1106 A HA -0.133 4.188 4.320 0.002 0.000 0.219 1106 A C 2.527 180.249 177.584 0.230 0.000 1.169 1106 A CA 1.572 53.653 52.037 0.073 0.000 0.635 1106 A CB -0.447 18.650 19.000 0.161 0.000 0.810 1106 A HN 0.411 nan 8.150 nan 0.000 0.446 1107 A N 0.188 123.155 122.820 0.246 0.000 1.933 1107 A HA -0.178 4.144 4.320 0.002 0.000 0.218 1107 A C 1.943 179.627 177.584 0.167 0.000 1.175 1107 A CA 1.466 53.650 52.037 0.245 0.000 0.628 1107 A CB -0.455 18.727 19.000 0.303 0.000 0.814 1107 A HN 0.703 nan 8.150 nan 0.000 0.444 1108 Q N -1.184 118.698 119.800 0.136 0.000 2.282 1108 Q HA 0.308 4.649 4.340 0.002 0.000 0.205 1108 Q C 0.969 177.037 176.000 0.115 0.000 0.915 1108 Q CA 0.572 56.438 55.803 0.105 0.000 0.949 1108 Q CB -0.238 28.547 28.738 0.078 0.000 1.035 1108 Q HN 0.990 nan 8.270 nan 0.000 0.484 1109 G N 1.366 110.270 108.800 0.172 0.000 2.184 1109 G HA2 -0.299 3.662 3.960 0.002 0.000 0.264 1109 G HA3 -0.299 3.662 3.960 0.002 0.000 0.264 1109 G C 0.015 175.082 174.900 0.278 0.000 0.975 1109 G CA 0.480 45.724 45.100 0.241 0.000 0.642 1109 G HN 0.322 nan 8.290 nan 0.000 0.536 1110 K N 0.607 121.062 120.400 0.091 0.000 2.098 1110 K HA 0.418 4.739 4.320 0.002 0.000 0.258 1110 K C 0.463 176.771 176.600 -0.488 0.000 0.973 1110 K CA -0.736 55.511 56.287 -0.066 0.000 0.898 1110 K CB 0.641 33.095 32.500 -0.076 0.000 1.057 1110 K HN 0.198 nan 8.250 nan 0.000 0.447 1111 N N 3.342 121.647 118.700 -0.658 0.000 2.468 1111 N HA -0.006 4.735 4.740 0.002 0.000 0.265 1111 N C -1.711 173.372 175.510 -0.712 0.000 1.199 1111 N CA -1.044 51.352 53.050 -1.090 0.000 0.928 1111 N CB 0.820 39.004 38.487 -0.506 0.000 1.059 1111 N HN 0.338 nan 8.380 nan 0.000 0.467 1112 P HA -0.048 nan 4.420 nan 0.000 0.236 1112 P C 0.087 176.940 177.300 -0.744 0.000 1.177 1112 P CA 0.394 63.037 63.100 -0.761 0.000 0.773 1112 P CB 0.049 31.142 31.700 -1.011 0.000 0.878 1113 F N 2.173 121.690 119.950 -0.722 0.000 2.421 1113 F HA 0.275 4.803 4.527 0.002 0.000 0.358 1113 F C 0.098 175.729 175.800 -0.283 0.000 1.115 1113 F CA -0.231 57.493 58.000 -0.460 0.000 1.160 1113 F CB 0.574 39.378 39.000 -0.327 0.000 1.123 1113 F HN -0.183 nan 8.300 nan 0.000 0.508 1114 Q N 6.594 125.901 119.800 -0.822 0.000 2.330 1114 Q HA 0.439 4.780 4.340 0.002 0.000 0.269 1114 Q C -1.053 174.589 176.000 -0.597 0.000 1.022 1114 Q CA -0.830 54.662 55.803 -0.518 0.000 0.796 1114 Q CB 2.853 31.418 28.738 -0.289 0.000 1.271 1114 Q HN 0.675 nan 8.270 nan 0.000 0.450 1115 L N 1.995 123.015 121.223 -0.339 0.000 2.418 1115 L HA 0.223 4.564 4.340 0.002 0.000 0.265 1115 L C 0.106 176.955 176.870 -0.035 0.000 1.143 1115 L CA 0.205 54.949 54.840 -0.159 0.000 0.809 1115 L CB 0.840 42.855 42.059 -0.073 0.000 1.124 1115 L HN 0.786 nan 8.230 nan 0.000 0.456 1116 D N -0.381 120.053 120.400 0.056 0.000 2.502 1116 D HA 0.063 4.704 4.640 0.002 0.000 0.232 1116 D C 0.133 176.576 176.300 0.239 0.000 1.137 1116 D CA 0.230 54.305 54.000 0.125 0.000 0.827 1116 D CB 0.969 41.846 40.800 0.128 0.000 1.141 1116 D HN 0.351 nan 8.370 nan 0.000 0.517 1117 S N 0.216 116.059 115.700 0.238 0.000 2.593 1117 S HA 0.557 5.028 4.470 0.002 0.000 0.297 1117 S C -0.282 174.526 174.600 0.346 0.000 1.112 1117 S CA -0.564 57.792 58.200 0.260 0.000 1.043 1117 S CB 1.511 64.771 63.200 0.100 0.000 1.054 1117 S HN -0.217 nan 8.310 nan 0.000 0.516 1118 K N 1.981 122.534 120.400 0.255 0.000 2.090 1118 K HA 0.722 5.043 4.320 0.002 0.000 0.249 1118 K C 0.305 176.837 176.600 -0.113 0.000 0.995 1118 K CA -0.447 55.962 56.287 0.203 0.000 0.914 1118 K CB 0.518 33.088 32.500 0.117 0.000 1.057 1118 K HN 0.766 nan 8.250 nan 0.000 0.462 1119 A N 1.793 124.398 122.820 -0.359 0.000 2.614 1119 A HA 0.076 4.397 4.320 0.002 0.000 0.231 1119 A C -2.067 175.129 177.584 -0.648 0.000 1.076 1119 A CA -0.459 50.959 52.037 -1.031 0.000 0.767 1119 A CB -0.851 17.883 19.000 -0.443 0.000 1.012 1119 A HN 0.441 nan 8.150 nan 0.000 0.512 1120 P HA 0.150 nan 4.420 nan 0.000 0.269 1120 P C -0.603 176.577 177.300 -0.199 0.000 1.209 1120 P CA 0.238 63.142 63.100 -0.327 0.000 0.776 1120 P CB 0.476 32.023 31.700 -0.255 0.000 0.876 1121 D N 1.535 121.853 120.400 -0.137 0.000 2.891 1121 D HA 0.161 4.802 4.640 0.002 0.000 0.312 1121 D C 1.114 177.379 176.300 -0.057 0.000 1.354 1121 D CA -0.633 53.316 54.000 -0.084 0.000 0.838 1121 D CB -0.786 39.975 40.800 -0.065 0.000 1.117 1121 D HN 0.555 nan 8.370 nan 0.000 0.473 1122 G N 0.477 109.244 108.800 -0.055 0.000 2.200 1122 G HA2 -0.419 3.542 3.960 0.002 0.000 0.268 1122 G HA3 -0.419 3.542 3.960 0.002 0.000 0.268 1122 G C 1.223 176.109 174.900 -0.022 0.000 0.986 1122 G CA 0.910 45.992 45.100 -0.031 0.000 0.677 1122 G HN 0.422 nan 8.290 nan 0.000 0.532 1123 S N -0.391 115.287 115.700 -0.036 0.000 2.428 1123 S HA -0.037 4.434 4.470 0.002 0.000 0.230 1123 S C 2.539 177.143 174.600 0.007 0.000 1.014 1123 S CA 1.148 59.337 58.200 -0.018 0.000 0.957 1123 S CB -0.155 63.018 63.200 -0.045 0.000 0.784 1123 S HN 0.744 nan 8.310 nan 0.000 0.499 1124 V N 2.190 122.094 119.914 -0.017 0.000 2.262 1124 V HA -0.412 3.709 4.120 0.002 0.000 0.254 1124 V C 2.386 178.510 176.094 0.051 0.000 1.050 1124 V CA 2.575 64.885 62.300 0.018 0.000 1.080 1124 V CB -1.263 30.569 31.823 0.015 0.000 0.711 1124 V HN 0.525 nan 8.190 nan 0.000 0.479 1125 E N 0.748 120.957 120.200 0.014 0.000 2.097 1125 E HA -0.272 4.079 4.350 0.002 0.000 0.196 1125 E C 2.188 178.786 176.600 -0.004 0.000 1.000 1125 E CA 1.905 58.301 56.400 -0.007 0.000 0.804 1125 E CB -0.355 29.344 29.700 -0.001 0.000 0.740 1125 E HN 0.865 nan 8.360 nan 0.000 0.454 1126 E N -0.356 119.857 120.200 0.022 0.000 2.409 1126 E HA -0.189 4.162 4.350 0.002 0.000 0.198 1126 E C 1.860 178.482 176.600 0.038 0.000 1.024 1126 E CA 0.722 57.135 56.400 0.022 0.000 0.861 1126 E CB -0.377 29.339 29.700 0.026 0.000 0.788 1126 E HN 0.439 nan 8.360 nan 0.000 0.521 1127 F N 1.924 121.801 119.950 -0.122 0.000 2.179 1127 F HA 0.102 4.630 4.527 0.001 0.000 0.292 1127 F C 2.012 177.685 175.800 -0.211 0.000 1.089 1127 F CA 0.671 58.569 58.000 -0.169 0.000 1.295 1127 F CB -0.120 38.741 39.000 -0.231 0.000 1.041 1127 F HN -0.150 nan 8.300 nan 0.000 0.487 1128 L N -0.261 120.751 121.223 -0.350 0.000 2.005 1128 L HA -0.198 4.143 4.340 0.002 0.000 0.207 1128 L C 2.367 179.094 176.870 -0.239 0.000 1.072 1128 L CA 0.984 55.489 54.840 -0.559 0.000 0.744 1128 L CB -0.804 40.904 42.059 -0.585 0.000 0.895 1128 L HN 0.159 nan 8.230 nan 0.000 0.433 1129 M N -0.160 119.363 119.600 -0.129 0.000 2.706 1129 M HA -0.099 4.382 4.480 0.002 0.000 0.251 1129 M C 1.964 178.236 176.300 -0.047 0.000 1.070 1129 M CA 0.916 56.190 55.300 -0.043 0.000 1.073 1129 M CB -1.070 31.517 32.600 -0.021 0.000 1.449 1129 M HN 0.283 nan 8.290 nan 0.000 0.531 1130 A N -0.752 122.004 122.820 -0.107 0.000 2.195 1130 A HA 0.074 4.395 4.320 0.002 0.000 0.210 1130 A C 0.773 178.307 177.584 -0.084 0.000 1.165 1130 A CA 0.110 52.091 52.037 -0.092 0.000 0.806 1130 A CB 0.131 19.063 19.000 -0.112 0.000 0.847 1130 A HN 0.471 nan 8.150 nan 0.000 0.482 1131 Q N -0.131 119.625 119.800 -0.074 0.000 2.307 1131 Q HA 0.264 4.606 4.340 0.002 0.000 0.262 1131 Q C 0.484 176.496 176.000 0.020 0.000 0.961 1131 Q CA -0.556 55.233 55.803 -0.023 0.000 0.882 1131 Q CB 1.331 30.074 28.738 0.009 0.000 1.264 1131 Q HN 0.457 nan 8.270 nan 0.000 0.446 1132 N N 2.580 121.270 118.700 -0.017 0.000 2.192 1132 N HA -0.236 4.505 4.740 0.002 0.000 0.188 1132 N C 1.420 176.897 175.510 -0.055 0.000 1.013 1132 N CA 1.423 54.459 53.050 -0.024 0.000 0.863 1132 N CB 0.290 38.756 38.487 -0.035 0.000 0.990 1132 N HN 0.567 nan 8.380 nan 0.000 0.430 1133 R N -0.797 119.631 120.500 -0.120 0.000 2.139 1133 R HA -0.132 4.209 4.340 0.002 0.000 0.243 1133 R C 1.398 177.489 176.300 -0.348 0.000 1.145 1133 R CA 1.560 57.498 56.100 -0.272 0.000 0.976 1133 R CB -0.651 29.408 30.300 -0.402 0.000 0.866 1133 R HN 0.194 nan 8.270 nan 0.000 0.449 1134 F N 0.577 120.494 119.950 -0.056 0.000 2.505 1134 F HA 0.373 4.901 4.527 0.003 0.000 0.289 1134 F C 2.621 178.406 175.800 -0.026 0.000 1.101 1134 F CA 0.506 58.481 58.000 -0.041 0.000 1.446 1134 F CB -0.137 38.825 39.000 -0.065 0.000 1.123 1134 F HN 0.102 nan 8.300 nan 0.000 0.564 1135 A N 0.294 123.195 122.820 0.135 0.000 2.014 1135 A HA -0.041 4.280 4.320 0.002 0.000 0.218 1135 A C 2.206 179.824 177.584 0.057 0.000 1.163 1135 A CA 1.617 53.701 52.037 0.079 0.000 0.652 1135 A CB -1.205 17.822 19.000 0.045 0.000 0.808 1135 A HN 0.193 nan 8.150 nan 0.000 0.449 1136 V N -1.276 118.658 119.914 0.034 0.000 2.295 1136 V HA -0.239 3.883 4.120 0.002 0.000 0.246 1136 V C 2.299 178.440 176.094 0.078 0.000 1.049 1136 V CA 1.643 63.965 62.300 0.036 0.000 1.024 1136 V CB -1.266 30.560 31.823 0.006 0.000 0.648 1136 V HN 0.467 nan 8.190 nan 0.000 0.447 1137 L N 0.587 121.852 121.223 0.071 0.000 2.129 1137 L HA -0.268 4.073 4.340 0.002 0.000 0.212 1137 L C 2.368 179.340 176.870 0.170 0.000 1.087 1137 L CA 2.859 57.767 54.840 0.113 0.000 0.757 1137 L CB -0.629 41.456 42.059 0.044 0.000 0.896 1137 L HN 0.574 nan 8.230 nan 0.000 0.434 1138 D N -0.573 119.900 120.400 0.122 0.000 2.077 1138 D HA -0.199 4.442 4.640 0.002 0.000 0.196 1138 D C 2.232 178.586 176.300 0.091 0.000 0.986 1138 D CA 1.193 55.256 54.000 0.105 0.000 0.829 1138 D CB 0.120 40.967 40.800 0.078 0.000 0.983 1138 D HN 0.082 nan 8.370 nan 0.000 0.453 1139 R N -0.358 120.186 120.500 0.072 0.000 2.112 1139 R HA -0.093 4.249 4.340 0.002 0.000 0.242 1139 R C 2.185 178.511 176.300 0.043 0.000 1.137 1139 R CA 1.844 57.972 56.100 0.047 0.000 0.944 1139 R CB -0.211 30.111 30.300 0.037 0.000 0.857 1139 R HN 0.143 nan 8.270 nan 0.000 0.435 1140 S N -1.230 114.525 115.700 0.093 0.000 2.548 1140 S HA 0.143 4.615 4.470 0.002 0.000 0.215 1140 S C -0.130 174.454 174.600 -0.025 0.000 0.976 1140 S CA 0.233 58.469 58.200 0.061 0.000 0.908 1140 S CB 0.518 63.815 63.200 0.162 0.000 0.781 1140 S HN 0.156 nan 8.310 nan 0.000 0.519 1141 F N 0.208 120.165 119.950 0.012 0.000 2.526 1141 F HA 0.323 4.851 4.527 0.001 0.000 0.379 1141 F C -2.507 173.305 175.800 0.021 0.000 1.506 1141 F CA -1.749 56.261 58.000 0.016 0.000 1.076 1141 F CB 0.930 39.941 39.000 0.019 0.000 1.746 1141 F HN -0.081 nan 8.300 nan 0.000 0.520 1142 P HA -0.247 nan 4.420 nan 0.000 0.216 1142 P C 1.567 178.924 177.300 0.095 0.000 1.157 1142 P CA 2.183 65.340 63.100 0.095 0.000 0.880 1142 P CB 0.142 31.871 31.700 0.048 0.000 0.791 1143 E N -0.382 119.870 120.200 0.087 0.000 2.085 1143 E HA -0.238 4.113 4.350 0.002 0.000 0.194 1143 E C 1.327 177.986 176.600 0.099 0.000 0.994 1143 E CA 1.607 58.054 56.400 0.078 0.000 0.801 1143 E CB -1.098 28.637 29.700 0.059 0.000 0.743 1143 E HN 0.208 nan 8.360 nan 0.000 0.453 1144 D N 1.013 121.503 120.400 0.149 0.000 2.162 1144 D HA 0.029 4.670 4.640 0.002 0.000 0.203 1144 D C 1.992 178.351 176.300 0.099 0.000 0.967 1144 D CA 1.583 55.659 54.000 0.126 0.000 0.840 1144 D CB -0.182 40.707 40.800 0.148 0.000 0.972 1144 D HN 0.318 nan 8.370 nan 0.000 0.482 1145 A N 1.218 124.110 122.820 0.120 0.000 1.902 1145 A HA -0.204 4.117 4.320 0.002 0.000 0.217 1145 A C 2.012 179.648 177.584 0.087 0.000 1.181 1145 A CA 1.744 53.845 52.037 0.106 0.000 0.623 1145 A CB -0.580 18.494 19.000 0.123 0.000 0.818 1145 A HN 0.238 nan 8.150 nan 0.000 0.443 1146 K N -0.402 120.043 120.400 0.074 0.000 2.209 1146 K HA -0.149 4.172 4.320 0.002 0.000 0.204 1146 K C 2.093 178.724 176.600 0.051 0.000 1.048 1146 K CA 1.480 57.800 56.287 0.055 0.000 0.940 1146 K CB -0.254 32.273 32.500 0.046 0.000 0.729 1146 K HN 0.418 nan 8.250 nan 0.000 0.451 1147 R N 0.489 121.022 120.500 0.055 0.000 2.062 1147 R HA 0.038 4.380 4.340 0.002 0.000 0.229 1147 R C 2.487 178.821 176.300 0.056 0.000 1.128 1147 R CA 1.258 57.387 56.100 0.048 0.000 0.960 1147 R CB -0.176 30.153 30.300 0.047 0.000 0.855 1147 R HN 0.210 nan 8.270 nan 0.000 0.432 1148 L N 0.045 121.310 121.223 0.071 0.000 2.109 1148 L HA -0.095 4.247 4.340 0.002 0.000 0.207 1148 L C 2.339 179.269 176.870 0.099 0.000 1.086 1148 L CA 1.106 56.000 54.840 0.090 0.000 0.760 1148 L CB -0.252 41.868 42.059 0.103 0.000 0.910 1148 L HN 0.114 nan 8.230 nan 0.000 0.437 1149 R N -0.007 120.542 120.500 0.081 0.000 2.237 1149 R HA -0.045 4.296 4.340 0.002 0.000 0.219 1149 R C 2.172 178.503 176.300 0.052 0.000 1.080 1149 R CA 0.989 57.117 56.100 0.047 0.000 0.995 1149 R CB -0.285 30.025 30.300 0.016 0.000 0.875 1149 R HN 0.339 nan 8.270 nan 0.000 0.462 1150 A N 0.785 123.641 122.820 0.060 0.000 1.975 1150 A HA -0.077 4.244 4.320 0.002 0.000 0.215 1150 A C 2.017 179.658 177.584 0.094 0.000 1.170 1150 A CA 0.465 52.538 52.037 0.060 0.000 0.656 1150 A CB -0.066 18.956 19.000 0.037 0.000 0.821 1150 A HN 0.200 nan 8.150 nan 0.000 0.449 1151 Q N -0.148 119.710 119.800 0.097 0.000 2.020 1151 Q HA -0.138 4.204 4.340 0.002 0.000 0.202 1151 Q C 2.151 178.247 176.000 0.160 0.000 0.982 1151 Q CA 1.987 57.870 55.803 0.133 0.000 0.838 1151 Q CB -0.297 28.508 28.738 0.111 0.000 0.899 1151 Q HN 0.490 nan 8.270 nan 0.000 0.423 1152 V N 0.771 120.768 119.914 0.138 0.000 2.490 1152 V HA -0.245 3.876 4.120 0.002 0.000 0.250 1152 V C 2.174 178.347 176.094 0.132 0.000 1.061 1152 V CA 1.718 64.106 62.300 0.147 0.000 1.064 1152 V CB -0.938 30.984 31.823 0.166 0.000 0.670 1152 V HN 0.353 nan 8.190 nan 0.000 0.461 1153 A N -1.306 121.584 122.820 0.117 0.000 2.066 1153 A HA -0.182 4.139 4.320 0.002 0.000 0.218 1153 A C 2.214 179.871 177.584 0.122 0.000 1.157 1153 A CA 1.418 53.514 52.037 0.099 0.000 0.670 1153 A CB -0.710 18.334 19.000 0.074 0.000 0.804 1153 A HN 0.728 nan 8.150 nan 0.000 0.453 1154 H N -0.507 118.586 119.070 0.039 0.000 2.399 1154 H HA 0.049 4.606 4.556 0.002 0.000 0.300 1154 H C 1.757 177.106 175.328 0.036 0.000 1.048 1154 H CA 1.177 57.244 56.048 0.032 0.000 1.370 1154 H CB 0.228 30.007 29.762 0.029 0.000 1.428 1154 H HN 0.603 nan 8.280 nan 0.000 0.534 1155 E N 0.837 121.014 120.200 -0.038 0.000 2.031 1155 E HA -0.175 4.177 4.350 0.002 0.000 0.193 1155 E C 2.467 179.025 176.600 -0.070 0.000 0.994 1155 E CA 1.584 57.928 56.400 -0.093 0.000 0.800 1155 E CB -0.072 29.636 29.700 0.014 0.000 0.752 1155 E HN 0.448 nan 8.360 nan 0.000 0.447 1156 L N 0.183 121.403 121.223 -0.005 0.000 2.191 1156 L HA -0.080 4.261 4.340 0.002 0.000 0.212 1156 L C 1.857 178.743 176.870 0.027 0.000 1.103 1156 L CA 1.850 56.701 54.840 0.018 0.000 0.769 1156 L CB -0.544 41.541 42.059 0.043 0.000 0.908 1156 L HN -0.070 nan 8.230 nan 0.000 0.438 1157 D N 0.135 120.526 120.400 -0.016 0.000 2.149 1157 D HA -0.122 4.519 4.640 0.002 0.000 0.201 1157 D C 1.927 178.218 176.300 -0.016 0.000 0.972 1157 D CA 1.204 55.197 54.000 -0.011 0.000 0.835 1157 D CB 0.133 40.927 40.800 -0.010 0.000 0.966 1157 D HN 0.191 nan 8.370 nan 0.000 0.476 1158 V N 0.265 120.107 119.914 -0.119 0.000 2.302 1158 V HA -0.081 4.040 4.120 0.002 0.000 0.243 1158 V C 2.650 178.714 176.094 -0.049 0.000 1.036 1158 V CA 1.469 63.697 62.300 -0.119 0.000 1.020 1158 V CB -0.597 31.091 31.823 -0.225 0.000 0.657 1158 V HN 0.171 nan 8.190 nan 0.000 0.453 1159 R N -0.681 119.791 120.500 -0.045 0.000 2.103 1159 R HA -0.226 4.115 4.340 0.002 0.000 0.242 1159 R C 2.211 178.511 176.300 0.001 0.000 1.142 1159 R CA 2.115 58.190 56.100 -0.042 0.000 0.960 1159 R CB -0.378 29.903 30.300 -0.032 0.000 0.858 1159 R HN 0.481 nan 8.270 nan 0.000 0.439 1160 F N 1.094 121.011 119.950 -0.054 0.000 2.407 1160 F HA -0.031 4.498 4.527 0.004 0.000 0.299 1160 F C 1.792 177.581 175.800 -0.019 0.000 1.097 1160 F CA 1.252 59.240 58.000 -0.020 0.000 1.422 1160 F CB 0.187 39.183 39.000 -0.007 0.000 1.067 1160 F HN -0.102 nan 8.300 nan 0.000 0.539 1161 K N -0.087 120.414 120.400 0.168 0.000 2.305 1161 K HA -0.060 4.262 4.320 0.002 0.000 0.199 1161 K C 1.742 178.336 176.600 -0.010 0.000 1.047 1161 K CA 1.072 57.423 56.287 0.108 0.000 0.976 1161 K CB 0.016 32.565 32.500 0.082 0.000 0.765 1161 K HN 0.323 nan 8.250 nan 0.000 0.474 1162 E N 0.331 120.486 120.200 -0.074 0.000 2.230 1162 E HA -0.022 4.329 4.350 0.002 0.000 0.192 1162 E C 1.613 178.061 176.600 -0.253 0.000 0.987 1162 E CA 0.398 56.715 56.400 -0.138 0.000 0.841 1162 E CB 0.226 29.835 29.700 -0.152 0.000 0.783 1162 E HN 0.199 nan 8.360 nan 0.000 0.481 1163 L N 1.003 122.044 121.223 -0.302 0.000 2.291 1163 L HA -0.114 4.227 4.340 0.002 0.000 0.214 1163 L C 2.066 178.767 176.870 -0.281 0.000 1.120 1163 L CA 0.995 55.601 54.840 -0.390 0.000 0.799 1163 L CB -0.297 41.515 42.059 -0.412 0.000 0.925 1163 L HN 0.182 nan 8.230 nan 0.000 0.446 1164 E N -0.644 119.409 120.200 -0.245 0.000 2.028 1164 E HA -0.199 4.152 4.350 0.002 0.000 0.190 1164 E C 0.569 177.149 176.600 -0.032 0.000 0.984 1164 E CA 0.819 57.156 56.400 -0.105 0.000 0.800 1164 E CB 0.011 29.715 29.700 0.006 0.000 0.758 1164 E HN 0.358 nan 8.360 nan 0.000 0.448 1165 H N -0.555 118.452 119.070 -0.105 0.000 2.726 1165 H HA 0.262 4.819 4.556 0.002 0.000 0.244 1165 H C 0.396 175.637 175.328 -0.145 0.000 1.669 1165 H CA 0.100 56.097 56.048 -0.085 0.000 1.293 1165 H CB -0.087 29.640 29.762 -0.059 0.000 1.640 1165 H HN 0.057 nan 8.280 nan 0.000 0.553 1166 M N 1.093 120.463 119.600 -0.384 0.000 1.618 1166 M HA 0.138 4.619 4.480 0.002 0.000 0.197 1166 M C 1.710 177.884 176.300 -0.210 0.000 1.133 1166 M CA 0.849 55.891 55.300 -0.431 0.000 0.861 1166 M CB 0.011 32.101 32.600 -0.851 0.000 1.687 1166 M HN 0.496 nan 8.290 nan 0.000 0.624 1167 A N 0.543 123.349 122.820 -0.023 0.000 1.933 1167 A HA 0.084 4.405 4.320 0.002 0.000 0.218 1167 A C 1.765 179.309 177.584 -0.065 0.000 1.175 1167 A CA 2.084 54.169 52.037 0.080 0.000 0.628 1167 A CB -0.656 18.393 19.000 0.081 0.000 0.814 1167 A HN 0.556 nan 8.150 nan 0.000 0.444 1168 A N -1.407 121.310 122.820 -0.171 0.000 2.275 1168 A HA 0.343 4.664 4.320 0.002 0.000 0.212 1168 A C 1.165 178.562 177.584 -0.311 0.000 1.201 1168 A CA 0.760 52.696 52.037 -0.168 0.000 0.843 1168 A CB -0.614 18.381 19.000 -0.009 0.000 0.873 1168 A HN 0.345 nan 8.150 nan 0.000 0.492 1169 T N 0.349 114.644 114.554 -0.432 0.000 2.851 1169 T HA 0.164 4.516 4.350 0.002 0.000 0.298 1169 T C 1.059 175.820 174.700 0.102 0.000 0.977 1169 T CA 0.199 62.153 62.100 -0.243 0.000 1.126 1169 T CB 0.074 68.822 68.868 -0.200 0.000 0.916 1169 T HN 0.551 nan 8.240 nan 0.000 0.529 1170 N N 4.150 122.905 118.700 0.091 0.000 2.300 1170 N HA 0.105 4.846 4.740 0.002 0.000 0.179 1170 N C 0.152 175.582 175.510 -0.134 0.000 1.016 1170 N CA 0.358 53.452 53.050 0.073 0.000 0.876 1170 N CB -0.345 38.155 38.487 0.021 0.000 0.979 1170 N HN 0.532 nan 8.380 nan 0.000 0.432 1171 I N 0.981 121.510 120.570 -0.068 0.000 2.638 1171 I HA 0.232 4.403 4.170 0.002 0.000 0.286 1171 I C -0.607 175.497 176.117 -0.022 0.000 1.088 1171 I CA -0.337 60.872 61.300 -0.152 0.000 1.397 1171 I CB 0.035 38.011 38.000 -0.039 0.000 1.414 1171 I HN 0.058 nan 8.210 nan 0.000 0.566 1172 F N 1.450 121.402 119.950 0.004 0.000 2.843 1172 F HA 0.337 4.865 4.527 0.002 0.000 0.323 1172 F C -1.467 174.369 175.800 0.060 0.000 1.142 1172 F CA -1.415 56.599 58.000 0.024 0.000 0.925 1172 F CB 0.669 39.671 39.000 0.004 0.000 1.277 1172 F HN 0.432 nan 8.300 nan 0.000 0.446 1173 E N 1.896 122.345 120.200 0.414 0.000 2.052 1173 E HA 0.317 4.669 4.350 0.002 0.000 0.283 1173 E C 0.008 176.838 176.600 0.383 0.000 1.071 1173 E CA -0.460 56.130 56.400 0.317 0.000 0.851 1173 E CB 1.424 31.270 29.700 0.242 0.000 1.066 1173 E HN 0.648 nan 8.360 nan 0.000 0.396 1174 S N 2.667 118.566 115.700 0.332 0.000 2.614 1174 S HA 0.156 4.627 4.470 0.002 0.000 0.251 1174 S C -0.542 174.314 174.600 0.427 0.000 1.388 1174 S CA 0.047 58.448 58.200 0.335 0.000 0.973 1174 S CB 0.240 63.569 63.200 0.214 0.000 0.926 1174 S HN 0.462 nan 8.310 nan 0.000 0.580 1175 F N -0.215 119.848 119.950 0.189 0.000 2.628 1175 F HA 0.621 5.149 4.527 0.002 0.000 0.309 1175 F C -1.011 174.876 175.800 0.146 0.000 1.108 1175 F CA -0.386 57.734 58.000 0.199 0.000 0.971 1175 F CB 1.200 40.355 39.000 0.259 0.000 1.279 1175 F HN 0.633 nan 8.300 nan 0.000 0.441 1176 A N 6.184 128.373 122.820 -1.051 0.000 2.408 1176 A HA 0.680 5.001 4.320 0.002 0.000 0.295 1176 A C -2.634 174.095 177.584 -1.425 0.000 1.040 1176 A CA -1.466 50.011 52.037 -0.935 0.000 0.707 1176 A CB 1.479 20.250 19.000 -0.382 0.000 1.235 1176 A HN 0.519 nan 8.150 nan 0.000 0.418 1177 P HA 0.187 nan 4.420 nan 0.000 0.218 1177 P C 0.455 177.590 177.300 -0.274 0.000 1.149 1177 P CA 2.023 64.843 63.100 -0.466 0.000 0.817 1177 P CB 0.216 31.802 31.700 -0.189 0.000 0.785 1178 A N -3.300 119.358 122.820 -0.270 0.000 2.581 1178 A HA 0.502 4.823 4.320 0.002 0.000 0.321 1178 A C -0.733 176.767 177.584 -0.139 0.000 0.850 1178 A CA -0.336 51.592 52.037 -0.182 0.000 0.549 1178 A CB -0.601 18.312 19.000 -0.144 0.000 1.495 1178 A HN 0.394 nan 8.150 nan 0.000 0.458 1179 G N -0.656 108.082 108.800 -0.104 0.000 2.482 1179 G HA2 0.693 4.654 3.960 0.002 0.000 0.201 1179 G HA3 0.693 4.654 3.960 0.002 0.000 0.201 1179 G C 0.293 175.157 174.900 -0.061 0.000 3.137 1179 G CA 1.433 46.487 45.100 -0.077 0.000 0.798 1179 G HN 2.776 nan 8.290 nan 0.000 0.493 1180 G N 1.877 110.648 108.800 -0.049 0.000 2.687 1180 G HA2 0.584 4.546 3.960 0.002 0.000 0.106 1180 G HA3 0.584 4.546 3.960 0.002 0.000 0.106 1180 G C 1.001 175.883 174.900 -0.030 0.000 1.082 1180 G CA 1.134 46.212 45.100 -0.038 0.000 1.394 1180 G HN 1.662 nan 8.290 nan 0.000 0.627 1181 K N 0.434 120.816 120.400 -0.030 0.000 5.240 1181 K HA -0.056 4.265 4.320 0.002 0.000 0.296 1181 K C 1.118 177.708 176.600 -0.017 0.000 0.663 1181 K CA 2.784 59.057 56.287 -0.023 0.000 1.051 1181 K CB -2.032 30.453 32.500 -0.026 0.000 0.767 1181 K HN 2.661 nan 8.250 nan 0.000 0.850 1182 A N 0.770 123.582 122.820 -0.013 0.000 2.435 1182 A HA -0.000 4.321 4.320 0.002 0.000 0.686 1182 A C -0.744 176.836 177.584 -0.008 0.000 0.138 1182 A CA 0.456 52.488 52.037 -0.009 0.000 0.025 1182 A CB -1.363 17.631 19.000 -0.010 0.000 3.974 1182 A HN 0.673 nan 8.150 nan 0.000 0.548 1183 D N 0.503 120.900 120.400 -0.005 0.000 2.982 1183 D HA 0.379 5.020 4.640 0.002 0.000 0.222 1183 D C 0.680 176.975 176.300 -0.007 0.000 1.124 1183 D CA 2.704 56.701 54.000 -0.005 0.000 0.810 1183 D CB 0.190 40.987 40.800 -0.005 0.000 1.152 1183 D HN 1.861 nan 8.370 nan 0.000 0.538 1184 G N 0.538 109.333 108.800 -0.007 0.000 2.169 1184 G HA2 0.406 4.368 3.960 0.002 0.000 0.286 1184 G HA3 0.406 4.368 3.960 0.002 0.000 0.286 1184 G C -1.155 173.741 174.900 -0.006 0.000 1.742 1184 G CA -0.633 44.462 45.100 -0.007 0.000 0.904 1184 G HN 0.491 nan 8.290 nan 0.000 0.735 1185 S N -0.008 115.688 115.700 -0.007 0.000 2.526 1185 S HA 0.874 5.345 4.470 0.002 0.000 0.293 1185 S C -0.954 173.641 174.600 -0.008 0.000 1.092 1185 S CA -0.345 57.852 58.200 -0.005 0.000 0.980 1185 S CB 2.174 65.369 63.200 -0.008 0.000 1.048 1185 S HN 2.170 nan 8.310 nan 0.000 0.483 1186 V N 3.004 122.916 119.914 -0.003 0.000 2.752 1186 V HA 0.491 4.612 4.120 0.002 0.000 0.302 1186 V C -1.300 174.790 176.094 -0.006 0.000 1.133 1186 V CA -0.590 61.705 62.300 -0.008 0.000 0.919 1186 V CB 1.829 33.653 31.823 0.001 0.000 1.026 1186 V HN 1.101 nan 8.190 nan 0.000 0.429 1187 D N 3.864 124.232 120.400 -0.053 0.000 2.341 1187 D HA 0.290 4.931 4.640 0.002 0.000 0.245 1187 D C 1.118 177.351 176.300 -0.112 0.000 1.106 1187 D CA 0.105 54.031 54.000 -0.124 0.000 0.905 1187 D CB 0.959 41.615 40.800 -0.241 0.000 1.202 1187 D HN 0.569 nan 8.370 nan 0.000 0.426 1188 F N 0.863 120.813 119.950 -0.001 0.000 2.494 1188 F HA 0.160 4.688 4.527 0.002 0.000 0.298 1188 F C 1.716 177.520 175.800 0.006 0.000 1.106 1188 F CA 0.377 58.379 58.000 0.002 0.000 1.452 1188 F CB -0.568 38.434 39.000 0.002 0.000 1.085 1188 F HN 0.292 nan 8.300 nan 0.000 0.569 1189 G N -0.031 108.503 108.800 -0.443 0.000 2.880 1189 G HA2 0.006 3.967 3.960 0.002 0.000 0.209 1189 G HA3 0.006 3.967 3.960 0.002 0.000 0.209 1189 G C 0.382 175.212 174.900 -0.117 0.000 1.157 1189 G CA -0.278 44.660 45.100 -0.270 0.000 0.779 1189 G HN 0.190 nan 8.290 nan 0.000 0.539 1190 E N 0.475 120.621 120.200 -0.089 0.000 2.392 1190 E HA 0.297 4.648 4.350 0.002 0.000 0.264 1190 E C 1.296 177.884 176.600 -0.019 0.000 1.024 1190 E CA 0.345 56.714 56.400 -0.051 0.000 0.903 1190 E CB 0.769 30.444 29.700 -0.041 0.000 0.963 1190 E HN 0.218 nan 8.360 nan 0.000 0.432 1191 G N 1.843 110.630 108.800 -0.021 0.000 2.309 1191 G HA2 -0.292 3.670 3.960 0.002 0.000 0.286 1191 G HA3 -0.292 3.670 3.960 0.002 0.000 0.286 1191 G C 0.494 175.397 174.900 0.004 0.000 1.002 1191 G CA 0.666 45.760 45.100 -0.011 0.000 0.786 1191 G HN 0.729 nan 8.290 nan 0.000 0.511 1192 A N -1.167 121.660 122.820 0.012 0.000 2.322 1192 A HA 0.743 5.064 4.320 0.002 0.000 0.269 1192 A C 1.092 178.689 177.584 0.022 0.000 1.094 1192 A CA 0.634 52.698 52.037 0.044 0.000 0.807 1192 A CB 0.553 19.596 19.000 0.071 0.000 1.047 1192 A HN 0.300 nan 8.150 nan 0.000 0.487 1193 E N 0.787 121.012 120.200 0.042 0.000 2.075 1193 E HA 0.174 4.525 4.350 0.002 0.000 0.190 1193 E C -0.348 176.150 176.600 -0.170 0.000 0.969 1193 E CA 0.822 57.176 56.400 -0.076 0.000 0.815 1193 E CB -0.175 29.477 29.700 -0.080 0.000 0.776 1193 E HN 0.619 nan 8.360 nan 0.000 0.457 1194 F N 0.126 120.084 119.950 0.013 0.000 2.375 1194 F HA 0.284 4.812 4.527 0.002 0.000 0.317 1194 F C 0.597 176.408 175.800 0.019 0.000 1.124 1194 F CA -1.356 56.653 58.000 0.014 0.000 1.050 1194 F CB 0.561 39.571 39.000 0.015 0.000 1.314 1194 F HN -0.123 nan 8.300 nan 0.000 0.511 1195 c N 0.921 119.663 118.600 0.238 0.000 2.679 1195 c HA 0.159 4.731 4.570 0.002 0.000 0.417 1195 c C 1.488 175.667 174.090 0.148 0.000 1.302 1195 c CA 0.163 56.574 56.329 0.137 0.000 1.973 1195 c CB 0.192 42.768 42.510 0.110 0.000 2.715 1195 c HN 0.845 nan 8.230 nan 0.000 0.628 1196 T N 1.574 116.204 114.554 0.126 0.000 3.091 1196 T HA 0.252 4.603 4.350 0.002 0.000 0.277 1196 T C 0.308 175.132 174.700 0.206 0.000 0.996 1196 T CA 0.168 62.378 62.100 0.183 0.000 0.897 1196 T CB -0.163 68.827 68.868 0.202 0.000 1.109 1196 T HN 0.701 nan 8.240 nan 0.000 0.534 1197 R N 1.347 121.922 120.500 0.125 0.000 2.764 1197 R HA 0.524 4.865 4.340 0.002 0.000 0.270 1197 R C -1.685 174.656 176.300 0.068 0.000 1.014 1197 R CA -0.780 55.385 56.100 0.107 0.000 0.904 1197 R CB 1.451 31.799 30.300 0.080 0.000 1.236 1197 R HN 0.206 nan 8.270 nan 0.000 0.466 1198 D N -1.222 119.211 120.400 0.055 0.000 2.442 1198 D HA 0.213 4.854 4.640 0.002 0.000 0.254 1198 D C -0.242 176.074 176.300 0.028 0.000 1.069 1198 D CA -0.638 53.385 54.000 0.038 0.000 1.017 1198 D CB 0.641 41.460 40.800 0.031 0.000 1.172 1198 D HN 0.320 nan 8.370 nan 0.000 0.561 1199 D N -0.990 119.423 120.400 0.022 0.000 2.378 1199 D HA 0.003 4.644 4.640 0.002 0.000 0.227 1199 D C 0.198 176.505 176.300 0.012 0.000 1.012 1199 D CA 0.550 54.559 54.000 0.016 0.000 0.905 1199 D CB -0.497 40.312 40.800 0.014 0.000 0.895 1199 D HN 0.285 nan 8.370 nan 0.000 0.532 1200 T N 1.437 115.999 114.554 0.013 0.000 2.930 1200 T HA 0.083 4.434 4.350 0.002 0.000 0.306 1200 T C -1.566 173.137 174.700 0.006 0.000 1.045 1200 T CA -1.065 61.040 62.100 0.009 0.000 1.134 1200 T CB 1.666 70.540 68.868 0.009 0.000 0.961 1200 T HN -0.083 nan 8.240 nan 0.000 0.545 1201 P HA 0.078 nan 4.420 nan 0.000 0.230 1201 P C 1.166 178.462 177.300 -0.006 0.000 1.158 1201 P CA 0.803 63.900 63.100 -0.005 0.000 0.769 1201 P CB 0.101 31.794 31.700 -0.011 0.000 0.807 1202 M N -2.471 117.127 119.600 -0.003 0.000 2.288 1202 M HA 0.035 4.516 4.480 0.002 0.000 0.266 1202 M C 1.980 178.286 176.300 0.010 0.000 1.072 1202 M CA 1.525 56.824 55.300 -0.002 0.000 1.132 1202 M CB -0.445 32.153 32.600 -0.004 0.000 1.386 1202 M HN -0.083 nan 8.290 nan 0.000 0.432 1203 M N 0.139 119.750 119.600 0.019 0.000 2.476 1203 M HA 0.170 4.651 4.480 0.002 0.000 0.262 1203 M C 0.735 177.049 176.300 0.024 0.000 1.111 1203 M CA -0.111 55.210 55.300 0.035 0.000 1.127 1203 M CB -0.096 32.535 32.600 0.052 0.000 1.376 1203 M HN 0.164 nan 8.290 nan 0.000 0.465 1204 A N 2.265 125.091 122.820 0.011 0.000 2.566 1204 A HA 0.154 4.475 4.320 0.002 0.000 0.245 1204 A C 0.215 177.798 177.584 -0.003 0.000 1.056 1204 A CA 0.526 52.564 52.037 0.001 0.000 0.757 1204 A CB 0.108 19.107 19.000 -0.003 0.000 0.979 1204 A HN 0.290 nan 8.150 nan 0.000 0.508 1205 R N 1.973 122.467 120.500 -0.010 0.000 2.939 1205 R HA 0.455 4.797 4.340 0.002 0.000 0.254 1205 R C -1.962 174.326 176.300 -0.020 0.000 1.123 1205 R CA -2.136 53.955 56.100 -0.016 0.000 1.020 1205 R CB -0.056 30.230 30.300 -0.024 0.000 1.206 1205 R HN 0.383 nan 8.270 nan 0.000 0.491 1206 P HA -0.060 nan 4.420 nan 0.000 0.215 1206 P C -0.093 177.192 177.300 -0.025 0.000 1.153 1206 P CA 1.265 64.352 63.100 -0.022 0.000 0.853 1206 P CB 0.324 32.011 31.700 -0.021 0.000 0.788 1207 D N -1.400 118.981 120.400 -0.032 0.000 2.427 1207 D HA 0.068 4.709 4.640 0.002 0.000 0.224 1207 D C 0.343 176.619 176.300 -0.041 0.000 1.157 1207 D CA 0.200 54.179 54.000 -0.036 0.000 0.828 1207 D CB -0.160 40.616 40.800 -0.040 0.000 0.974 1207 D HN 0.202 nan 8.370 nan 0.000 0.498 1208 S N -1.708 113.970 115.700 -0.037 0.000 2.693 1208 S HA 0.637 5.108 4.470 0.002 0.000 0.276 1208 S C 1.211 175.796 174.600 -0.025 0.000 1.192 1208 S CA 0.136 58.314 58.200 -0.036 0.000 0.994 1208 S CB 2.379 65.560 63.200 -0.031 0.000 1.012 1208 S HN 0.185 nan 8.310 nan 0.000 0.550 1209 G N -0.351 108.437 108.800 -0.021 0.000 2.260 1209 G HA2 -0.170 3.791 3.960 0.002 0.000 0.179 1209 G HA3 -0.170 3.791 3.960 0.002 0.000 0.179 1209 G C -0.178 174.712 174.900 -0.016 0.000 1.002 1209 G CA -0.066 45.025 45.100 -0.015 0.000 0.677 1209 G HN 0.941 nan 8.290 nan 0.000 0.486 1210 E N 1.173 121.360 120.200 -0.022 0.000 2.373 1210 E HA 0.569 4.920 4.350 0.002 0.000 0.267 1210 E C 1.029 177.618 176.600 -0.018 0.000 1.032 1210 E CA 0.103 56.489 56.400 -0.022 0.000 0.889 1210 E CB 0.738 30.421 29.700 -0.029 0.000 0.984 1210 E HN 0.659 nan 8.360 nan 0.000 0.425 1211 A N 3.058 125.867 122.820 -0.018 0.000 2.406 1211 A HA 0.383 4.705 4.320 0.002 0.000 0.243 1211 A C -0.090 177.482 177.584 -0.020 0.000 1.082 1211 A CA 0.082 52.110 52.037 -0.015 0.000 0.786 1211 A CB -0.177 18.813 19.000 -0.017 0.000 1.029 1211 A HN 0.869 nan 8.150 nan 0.000 0.495 1212 c N -1.048 117.543 118.600 -0.014 0.000 3.249 1212 c HA 0.588 5.159 4.570 0.002 0.000 0.350 1212 c C -0.959 173.128 174.090 -0.006 0.000 1.431 1212 c CA -0.991 55.325 56.329 -0.022 0.000 1.209 1212 c CB 0.829 43.338 42.510 -0.002 0.000 1.546 1212 c HN 0.791 nan 8.230 nan 0.000 0.450 1213 D N 0.891 121.277 120.400 -0.023 0.000 2.365 1213 D HA 0.170 4.812 4.640 0.002 0.000 0.237 1213 D C 0.492 176.933 176.300 0.234 0.000 1.190 1213 D CA 0.650 54.678 54.000 0.047 0.000 0.867 1213 D CB 1.092 41.772 40.800 -0.200 0.000 1.050 1213 D HN 0.692 nan 8.370 nan 0.000 0.491 1214 Q N 2.881 122.778 119.800 0.161 0.000 2.431 1214 Q HA -0.023 4.318 4.340 0.002 0.000 0.210 1214 Q C 0.006 176.088 176.000 0.136 0.000 0.958 1214 Q CA 0.169 56.052 55.803 0.133 0.000 0.957 1214 Q CB -0.290 28.494 28.738 0.076 0.000 1.007 1214 Q HN 0.570 nan 8.270 nan 0.000 0.511 1215 N N -1.378 117.462 118.700 0.234 0.000 2.815 1215 N HA -0.254 4.488 4.740 0.002 0.000 0.247 1215 N C 0.391 175.937 175.510 0.061 0.000 1.030 1215 N CA 0.948 54.060 53.050 0.104 0.000 0.881 1215 N CB -0.454 37.978 38.487 -0.093 0.000 1.134 1215 N HN 0.254 nan 8.380 nan 0.000 0.582 1216 R N -0.044 120.502 120.500 0.076 0.000 2.237 1216 R HA 0.142 4.483 4.340 0.002 0.000 0.219 1216 R C 1.607 177.937 176.300 0.050 0.000 1.080 1216 R CA 1.370 57.498 56.100 0.047 0.000 0.995 1216 R CB 0.128 30.453 30.300 0.041 0.000 0.875 1216 R HN 0.326 nan 8.270 nan 0.000 0.462 1217 A N 0.208 123.077 122.820 0.081 0.000 2.460 1217 A HA 0.434 4.755 4.320 0.002 0.000 0.258 1217 A C 0.558 178.192 177.584 0.083 0.000 1.300 1217 A CA 0.365 52.446 52.037 0.074 0.000 0.913 1217 A CB 0.048 19.093 19.000 0.075 0.000 1.031 1217 A HN 0.354 nan 8.150 nan 0.000 0.512 1218 G N -1.184 107.659 108.800 0.070 0.000 2.757 1218 G HA2 -0.053 3.908 3.960 0.002 0.000 0.638 1218 G HA3 -0.053 3.908 3.960 0.002 0.000 0.638 1218 G C -0.021 174.927 174.900 0.081 0.000 1.344 1218 G CA -0.421 44.707 45.100 0.047 0.000 0.855 1218 G HN 0.555 nan 8.290 nan 0.000 0.537 1219 T N 0.262 114.837 114.554 0.035 0.000 2.856 1219 T HA 0.411 4.762 4.350 0.002 0.000 0.306 1219 T C 2.007 176.807 174.700 0.167 0.000 1.062 1219 T CA 0.721 62.853 62.100 0.053 0.000 1.083 1219 T CB 0.941 69.812 68.868 0.006 0.000 0.984 1219 T HN 0.846 nan 8.240 nan 0.000 0.542 1220 S N 1.467 117.308 115.700 0.234 0.000 2.365 1220 S HA -0.152 4.319 4.470 0.002 0.000 0.221 1220 S C 2.224 176.884 174.600 0.100 0.000 1.037 1220 S CA 1.624 59.941 58.200 0.195 0.000 1.060 1220 S CB -0.308 62.997 63.200 0.176 0.000 0.974 1220 S HN 0.877 nan 8.310 nan 0.000 0.427 1221 E N 1.135 121.379 120.200 0.073 0.000 2.219 1221 E HA -0.264 4.087 4.350 0.002 0.000 0.198 1221 E C 1.807 178.431 176.600 0.039 0.000 0.998 1221 E CA 1.280 57.707 56.400 0.045 0.000 0.818 1221 E CB -0.480 29.239 29.700 0.032 0.000 0.741 1221 E HN 0.582 nan 8.360 nan 0.000 0.477 1222 Q N 0.450 120.277 119.800 0.045 0.000 2.187 1222 Q HA -0.062 4.280 4.340 0.002 0.000 0.199 1222 Q C 2.252 178.276 176.000 0.040 0.000 0.957 1222 Q CA 1.165 56.989 55.803 0.035 0.000 0.857 1222 Q CB 0.061 28.817 28.738 0.030 0.000 0.929 1222 Q HN 0.365 nan 8.270 nan 0.000 0.453 1223 Q N -0.772 119.062 119.800 0.057 0.000 2.079 1223 Q HA -0.123 4.218 4.340 0.002 0.000 0.200 1223 Q C 1.988 178.006 176.000 0.030 0.000 0.974 1223 Q CA 1.387 57.220 55.803 0.050 0.000 0.840 1223 Q CB -0.154 28.624 28.738 0.067 0.000 0.898 1223 Q HN 0.493 nan 8.270 nan 0.000 0.430 1224 G N 0.942 109.759 108.800 0.030 0.000 2.394 1224 G HA2 -0.276 3.686 3.960 0.002 0.000 0.214 1224 G HA3 -0.276 3.686 3.960 0.002 0.000 0.214 1224 G C 1.085 175.994 174.900 0.015 0.000 1.176 1224 G CA 0.941 46.052 45.100 0.019 0.000 0.786 1224 G HN 0.515 nan 8.290 nan 0.000 0.533 1225 D N 0.500 120.910 120.400 0.017 0.000 2.221 1225 D HA -0.129 4.513 4.640 0.002 0.000 0.204 1225 D C 2.306 178.613 176.300 0.012 0.000 0.982 1225 D CA 0.805 54.813 54.000 0.013 0.000 0.857 1225 D CB -0.113 40.695 40.800 0.013 0.000 0.934 1225 D HN 0.264 nan 8.370 nan 0.000 0.475 1226 L N 0.911 122.142 121.223 0.014 0.000 2.072 1226 L HA -0.077 4.264 4.340 0.002 0.000 0.205 1226 L C 2.638 179.514 176.870 0.009 0.000 1.079 1226 L CA 1.728 56.575 54.840 0.012 0.000 0.752 1226 L CB -0.870 41.199 42.059 0.016 0.000 0.906 1226 L HN 0.040 nan 8.230 nan 0.000 0.436 1227 S N -0.736 114.969 115.700 0.009 0.000 2.383 1227 S HA -0.221 4.250 4.470 0.002 0.000 0.227 1227 S C 1.873 176.476 174.600 0.004 0.000 1.026 1227 S CA 0.951 59.155 58.200 0.006 0.000 0.981 1227 S CB -0.391 62.812 63.200 0.004 0.000 0.818 1227 S HN 0.419 nan 8.310 nan 0.000 0.472 1228 K N 0.657 121.060 120.400 0.005 0.000 2.790 1228 K HA 0.199 4.520 4.320 0.002 0.000 0.229 1228 K C 0.489 177.091 176.600 0.004 0.000 1.040 1228 K CA -0.035 56.255 56.287 0.004 0.000 1.211 1228 K CB -0.081 32.422 32.500 0.005 0.000 1.002 1228 K HN 0.299 nan 8.250 nan 0.000 0.479 1229 R N -1.077 119.425 120.500 0.004 0.000 2.478 1229 R HA 0.020 4.361 4.340 0.002 0.000 0.377 1229 R C 0.537 176.839 176.300 0.004 0.000 0.853 1229 R CA 0.451 56.553 56.100 0.004 0.000 1.113 1229 R CB 1.022 31.325 30.300 0.005 0.000 1.725 1229 R HN 0.309 nan 8.270 nan 0.000 0.524 1230 T N -3.340 111.216 114.554 0.003 0.000 3.525 1230 T HA 0.010 4.361 4.350 0.002 0.000 0.286 1230 T C 1.236 175.936 174.700 0.001 0.000 0.944 1230 T CA 0.386 62.487 62.100 0.002 0.000 1.063 1230 T CB 0.184 69.053 68.868 0.003 0.000 1.179 1230 T HN 0.118 nan 8.240 nan 0.000 0.493 1231 K N 1.643 122.044 120.400 0.001 0.000 3.546 1231 K HA -0.412 3.909 4.320 0.002 0.000 0.238 1231 K C 0.344 176.944 176.600 -0.000 0.000 0.781 1231 K CA 2.154 58.441 56.287 0.000 0.000 1.011 1231 K CB -1.804 30.696 32.500 -0.000 0.000 1.468 1231 K HN 0.524 nan 8.250 nan 0.000 0.633 1232 K N 0.000 120.400 120.400 -0.000 0.000 2.780 1232 K HA 0.000 4.321 4.320 0.002 0.000 0.191 1232 K CA 0.000 56.287 56.287 -0.000 0.000 0.838 1232 K CB 0.000 32.500 32.500 -0.000 0.000 1.064 1232 K HN 0.000 nan 8.250 nan 0.000 0.543