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 1qhb_1_D DATA FIRST_RESID 2 DATA SEQUENCE GIPADNLQSR AKASFDTRVA AAELALARGA VPSFANGEEL LYRNSETGDP DATA SEQUENCE SFIGSFTKGL PHDDNGAIID PDDFLAFVRA INSGDEKEIA ALTLGPARDP DATA SEQUENCE ETGLPIWRSD LANSLDLEVR GWENSSAGLT FDLEGPDAQS VAMPPAPVLT DATA SEQUENCE SPELIAEMAE LYLMALGRDI EFSEFDSPKN AAFIRSAIER LNGLEWFNTP DATA SEQUENCE AKLGDPPAEI RRRRGEVTVG NLFRGILPGS EVGPYLSQFI IVGSKQIGSA DATA SEQUENCE TVGNKTLVSP NAADEFDGEI AYGSITISQR VRIATPGRDF MTDLKVFLDV DATA SEQUENCE QDAADFRGFE SYEPGARLIR TIRDLATWVH FDSLYEAYLN ACLILLANGV DATA SEQUENCE PFDPNLPFQQ EDKLDNQDVF VNFGSAHVLS LVTEVATRAL KAVRYQKFNI DATA SEQUENCE HRRLRPEATG GLISVNKNAF LKSESVFPEV DVLVEELSSI LDDSASSNEK DATA SEQUENCE QNIADGDVSP GKSFLLPMAF AEGSPFHPSY GSGHAVVAGA CVTILKAFFD DATA SEQUENCE ANFQIDQVFE VDTDEDKLVK SSFPGPLTVA GELNKLADNV AIGRNMAGVH DATA SEQUENCE YFSDQFESLL LGEQIAIGIL EEQSLTYGEN FFFNLPKFDG TTIQI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 2 G C 0.000 174.901 174.900 0.002 0.000 0.946 2 G CA 0.000 45.101 45.100 0.001 0.000 0.502 3 I N 2.050 122.621 120.570 0.002 0.000 2.396 3 I HA 0.217 4.386 4.170 -0.000 0.000 0.289 3 I C -1.520 174.599 176.117 0.002 0.000 1.056 3 I CA -1.342 59.959 61.300 0.002 0.000 1.365 3 I CB 0.948 38.949 38.000 0.002 0.000 1.407 3 I HN 0.188 nan 8.210 nan 0.000 0.509 4 P HA 0.203 nan 4.420 nan 0.000 0.264 4 P C -0.550 176.752 177.300 0.003 0.000 1.179 4 P CA 0.042 63.143 63.100 0.002 0.000 0.763 4 P CB 0.611 32.312 31.700 0.001 0.000 0.806 5 A N 1.182 124.005 122.820 0.003 0.000 2.568 5 A HA 0.663 4.983 4.320 -0.000 0.000 0.291 5 A C -1.568 176.019 177.584 0.005 0.000 1.159 5 A CA -0.421 51.619 52.037 0.004 0.000 0.679 5 A CB 1.396 20.399 19.000 0.005 0.000 1.285 5 A HN 0.462 nan 8.150 nan 0.000 0.428 6 D N -0.056 120.347 120.400 0.006 0.000 2.490 6 D HA 0.478 5.117 4.640 -0.000 0.000 0.232 6 D C -1.090 175.215 176.300 0.009 0.000 1.053 6 D CA -0.245 53.759 54.000 0.008 0.000 0.914 6 D CB 1.530 42.335 40.800 0.008 0.000 1.431 6 D HN 0.677 nan 8.370 nan 0.000 0.483 7 N N 1.848 120.554 118.700 0.009 0.000 2.432 7 N HA 0.391 5.131 4.740 -0.000 0.000 0.292 7 N C -0.562 174.955 175.510 0.012 0.000 1.193 7 N CA -0.499 52.557 53.050 0.010 0.000 0.878 7 N CB 1.493 39.986 38.487 0.009 0.000 1.252 7 N HN 0.328 nan 8.380 nan 0.000 0.520 8 L N -0.292 120.938 121.223 0.012 0.000 2.416 8 L HA 0.366 4.706 4.340 -0.000 0.000 0.262 8 L C 0.565 177.443 176.870 0.014 0.000 1.093 8 L CA -0.710 54.138 54.840 0.014 0.000 0.801 8 L CB 1.098 43.165 42.059 0.013 0.000 1.191 8 L HN 0.677 nan 8.230 nan 0.000 0.459 9 Q N -0.419 119.391 119.800 0.017 0.000 2.605 9 Q HA 0.487 4.826 4.340 -0.000 0.000 0.296 9 Q C -0.886 175.123 176.000 0.016 0.000 1.056 9 Q CA -0.978 54.835 55.803 0.017 0.000 0.778 9 Q CB 1.643 30.395 28.738 0.024 0.000 1.497 9 Q HN 0.602 nan 8.270 nan 0.000 0.443 10 S N -0.120 115.588 115.700 0.013 0.000 2.576 10 S HA 0.024 4.494 4.470 -0.000 0.000 0.272 10 S C 0.859 175.470 174.600 0.018 0.000 1.352 10 S CA 0.081 58.287 58.200 0.011 0.000 1.021 10 S CB 1.218 64.419 63.200 0.003 0.000 0.887 10 S HN 0.827 nan 8.310 nan 0.000 0.542 11 R N 2.076 122.586 120.500 0.016 0.000 2.091 11 R HA -0.085 4.255 4.340 -0.000 0.000 0.238 11 R C 2.348 178.665 176.300 0.028 0.000 1.136 11 R CA 2.125 58.237 56.100 0.020 0.000 0.959 11 R CB -1.373 28.936 30.300 0.014 0.000 0.856 11 R HN 0.858 nan 8.270 nan 0.000 0.437 12 A N 0.289 123.123 122.820 0.024 0.000 1.902 12 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 12 A C 2.086 179.709 177.584 0.065 0.000 1.181 12 A CA 1.850 53.906 52.037 0.031 0.000 0.623 12 A CB -0.509 18.496 19.000 0.007 0.000 0.818 12 A HN 0.301 nan 8.150 nan 0.000 0.443 13 K N 0.078 120.510 120.400 0.054 0.000 2.103 13 K HA 0.124 4.444 4.320 -0.000 0.000 0.204 13 K C 1.940 178.623 176.600 0.138 0.000 1.052 13 K CA 1.393 57.735 56.287 0.092 0.000 0.945 13 K CB -0.530 31.995 32.500 0.042 0.000 0.722 13 K HN 0.321 nan 8.250 nan 0.000 0.443 14 A N -0.312 122.558 122.820 0.082 0.000 1.930 14 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 14 A C 2.270 179.886 177.584 0.054 0.000 1.175 14 A CA 2.057 54.130 52.037 0.061 0.000 0.627 14 A CB -0.922 18.100 19.000 0.036 0.000 0.815 14 A HN 0.409 nan 8.150 nan 0.000 0.443 15 S N -1.439 114.300 115.700 0.064 0.000 2.371 15 S HA -0.135 4.335 4.470 -0.000 0.000 0.224 15 S C 1.801 176.440 174.600 0.064 0.000 1.029 15 S CA 1.435 59.661 58.200 0.044 0.000 0.978 15 S CB -0.534 62.691 63.200 0.043 0.000 0.833 15 S HN 0.592 nan 8.310 nan 0.000 0.466 16 F N 2.521 122.459 119.950 -0.020 0.000 2.102 16 F HA -0.083 4.444 4.527 -0.000 0.000 0.298 16 F C 1.861 177.649 175.800 -0.020 0.000 1.105 16 F CA 2.134 60.121 58.000 -0.021 0.000 1.239 16 F CB -0.571 38.418 39.000 -0.019 0.000 0.991 16 F HN 0.203 nan 8.300 nan 0.000 0.474 17 D N -0.418 119.979 120.400 -0.006 0.000 2.178 17 D HA -0.123 4.517 4.640 -0.000 0.000 0.202 17 D C 2.295 178.511 176.300 -0.141 0.000 0.974 17 D CA 1.702 55.638 54.000 -0.106 0.000 0.841 17 D CB -0.549 40.273 40.800 0.037 0.000 0.953 17 D HN 0.316 nan 8.370 nan 0.000 0.478 18 T N 0.651 115.148 114.554 -0.094 0.000 2.777 18 T HA -0.088 4.262 4.350 -0.000 0.000 0.266 18 T C 2.006 176.629 174.700 -0.128 0.000 1.040 18 T CA 0.853 62.900 62.100 -0.088 0.000 1.141 18 T CB 0.021 68.853 68.868 -0.060 0.000 0.868 18 T HN 0.146 nan 8.240 nan 0.000 0.444 19 R N 0.390 120.788 120.500 -0.169 0.000 2.096 19 R HA -0.012 4.328 4.340 -0.000 0.000 0.235 19 R C 2.474 178.631 176.300 -0.238 0.000 1.127 19 R CA 0.892 56.882 56.100 -0.183 0.000 0.968 19 R CB -0.583 29.609 30.300 -0.180 0.000 0.861 19 R HN 0.235 nan 8.270 nan 0.000 0.440 20 V N 0.787 120.481 119.914 -0.368 0.000 2.453 20 V HA -0.166 3.954 4.120 -0.000 0.000 0.247 20 V C 2.358 178.339 176.094 -0.189 0.000 1.048 20 V CA 1.803 63.903 62.300 -0.333 0.000 1.049 20 V CB -0.515 31.030 31.823 -0.462 0.000 0.672 20 V HN 0.384 nan 8.190 nan 0.000 0.457 21 A N 0.156 122.883 122.820 -0.155 0.000 1.930 21 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 21 A C 2.415 179.953 177.584 -0.077 0.000 1.175 21 A CA 1.907 53.887 52.037 -0.094 0.000 0.627 21 A CB -0.674 18.283 19.000 -0.071 0.000 0.815 21 A HN 0.542 nan 8.150 nan 0.000 0.443 22 A N -0.144 122.627 122.820 -0.081 0.000 1.930 22 A HA 0.195 4.515 4.320 -0.000 0.000 0.217 22 A C 2.473 180.022 177.584 -0.060 0.000 1.175 22 A CA 1.922 53.923 52.037 -0.059 0.000 0.627 22 A CB -0.915 18.051 19.000 -0.056 0.000 0.815 22 A HN 1.001 nan 8.150 nan 0.000 0.443 23 A N -0.170 122.600 122.820 -0.082 0.000 1.902 23 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 23 A C 1.925 179.472 177.584 -0.062 0.000 1.181 23 A CA 1.639 53.630 52.037 -0.076 0.000 0.623 23 A CB -0.505 18.433 19.000 -0.103 0.000 0.818 23 A HN 0.626 nan 8.150 nan 0.000 0.443 24 E N -0.527 119.633 120.200 -0.066 0.000 2.106 24 E HA -0.150 4.200 4.350 -0.000 0.000 0.192 24 E C 2.001 178.579 176.600 -0.036 0.000 0.984 24 E CA 0.984 57.354 56.400 -0.049 0.000 0.806 24 E CB -0.252 29.418 29.700 -0.051 0.000 0.750 24 E HN 0.655 nan 8.360 nan 0.000 0.458 25 L N 0.759 121.961 121.223 -0.036 0.000 1.989 25 L HA -0.232 4.107 4.340 -0.000 0.000 0.211 25 L C 2.420 179.278 176.870 -0.021 0.000 1.071 25 L CA 1.720 56.545 54.840 -0.025 0.000 0.749 25 L CB -0.308 41.738 42.059 -0.022 0.000 0.890 25 L HN 0.099 nan 8.230 nan 0.000 0.431 26 A N -0.324 122.482 122.820 -0.023 0.000 1.883 26 A HA -0.263 4.057 4.320 -0.000 0.000 0.217 26 A C 2.180 179.753 177.584 -0.017 0.000 1.186 26 A CA 2.014 54.041 52.037 -0.018 0.000 0.624 26 A CB -0.990 17.998 19.000 -0.019 0.000 0.822 26 A HN 0.516 nan 8.150 nan 0.000 0.444 27 L N -0.172 121.038 121.223 -0.023 0.000 2.012 27 L HA -0.084 4.256 4.340 -0.000 0.000 0.210 27 L C 2.611 179.472 176.870 -0.015 0.000 1.073 27 L CA 2.310 57.138 54.840 -0.020 0.000 0.748 27 L CB -0.691 41.352 42.059 -0.026 0.000 0.891 27 L HN 0.331 nan 8.230 nan 0.000 0.431 28 A N -0.692 122.119 122.820 -0.015 0.000 2.125 28 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 28 A C 2.286 179.866 177.584 -0.007 0.000 1.156 28 A CA 1.286 53.317 52.037 -0.011 0.000 0.671 28 A CB -0.635 18.357 19.000 -0.013 0.000 0.794 28 A HN 0.548 nan 8.150 nan 0.000 0.459 29 R N -0.829 119.667 120.500 -0.007 0.000 2.193 29 R HA 0.171 4.511 4.340 -0.000 0.000 0.229 29 R C 1.158 177.459 176.300 0.001 0.000 1.110 29 R CA 0.459 56.557 56.100 -0.003 0.000 0.988 29 R CB -0.465 29.833 30.300 -0.003 0.000 0.871 29 R HN 0.691 nan 8.270 nan 0.000 0.458 30 G N -0.186 108.614 108.800 -0.000 0.000 2.746 30 G HA2 0.010 3.970 3.960 -0.000 0.000 0.685 30 G HA3 0.010 3.970 3.960 -0.000 0.000 0.685 30 G C -1.135 173.766 174.900 0.002 0.000 1.350 30 G CA -0.549 44.553 45.100 0.003 0.000 0.837 30 G HN 0.424 nan 8.290 nan 0.000 0.564 31 A N -0.650 122.171 122.820 0.002 0.000 2.371 31 A HA 0.999 5.319 4.320 -0.000 0.000 0.311 31 A C 0.270 177.856 177.584 0.004 0.000 1.068 31 A CA 0.163 52.198 52.037 -0.005 0.000 0.744 31 A CB 1.720 20.709 19.000 -0.017 0.000 1.239 31 A HN 2.419 nan 8.150 nan 0.000 0.435 32 V N 0.335 120.254 119.914 0.009 0.000 2.630 32 V HA 0.827 4.947 4.120 -0.000 0.000 0.305 32 V C -2.490 173.589 176.094 -0.026 0.000 1.046 32 V CA -2.085 60.226 62.300 0.018 0.000 0.934 32 V CB 1.050 32.904 31.823 0.052 0.000 1.003 32 V HN 0.754 nan 8.190 nan 0.000 0.451 33 P HA 0.353 nan 4.420 nan 0.000 0.274 33 P C -0.435 176.628 177.300 -0.396 0.000 1.237 33 P CA -0.125 62.805 63.100 -0.283 0.000 0.793 33 P CB 0.951 32.392 31.700 -0.432 0.000 0.977 34 S N 0.878 116.338 115.700 -0.401 0.000 2.449 34 S HA 0.554 5.024 4.470 -0.000 0.000 0.310 34 S C -0.632 173.701 174.600 -0.444 0.000 1.096 34 S CA -0.258 57.780 58.200 -0.269 0.000 1.095 34 S CB -0.097 63.043 63.200 -0.101 0.000 1.007 34 S HN 0.209 nan 8.310 nan 0.000 0.474 35 F N 1.910 121.904 119.950 0.073 0.000 2.443 35 F HA 0.683 5.210 4.527 -0.000 0.000 0.335 35 F C 0.668 176.513 175.800 0.076 0.000 1.104 35 F CA -0.753 57.277 58.000 0.050 0.000 1.013 35 F CB 1.079 40.120 39.000 0.068 0.000 1.136 35 F HN 0.606 nan 8.300 nan 0.000 0.470 36 A N 1.727 124.639 122.820 0.154 0.000 2.248 36 A HA 0.372 4.692 4.320 -0.000 0.000 0.316 36 A C 0.857 178.541 177.584 0.167 0.000 1.101 36 A CA -0.603 51.526 52.037 0.152 0.000 0.875 36 A CB 0.373 19.381 19.000 0.014 0.000 1.207 36 A HN 0.799 nan 8.150 nan 0.000 0.504 37 N N -0.486 118.293 118.700 0.132 0.000 2.515 37 N HA 0.178 4.918 4.740 -0.000 0.000 0.185 37 N C 0.980 176.503 175.510 0.021 0.000 1.109 37 N CA 1.326 54.408 53.050 0.053 0.000 0.903 37 N CB 0.069 38.552 38.487 -0.006 0.000 0.969 37 N HN 1.687 nan 8.380 nan 0.000 0.450 38 G N -0.133 108.683 108.800 0.027 0.000 2.176 38 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.253 38 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.253 38 G C 0.745 175.600 174.900 -0.074 0.000 0.979 38 G CA 0.418 45.511 45.100 -0.012 0.000 0.641 38 G HN 0.463 nan 8.290 nan 0.000 0.530 39 E N -0.045 120.113 120.200 -0.070 0.000 2.152 39 E HA -0.004 4.345 4.350 -0.000 0.000 0.192 39 E C 1.989 178.512 176.600 -0.128 0.000 0.983 39 E CA 0.801 57.101 56.400 -0.168 0.000 0.818 39 E CB -0.072 29.640 29.700 0.021 0.000 0.758 39 E HN 0.697 nan 8.360 nan 0.000 0.467 40 E N 0.608 120.827 120.200 0.032 0.000 2.113 40 E HA -0.238 4.112 4.350 -0.000 0.000 0.210 40 E C 1.572 178.217 176.600 0.075 0.000 1.040 40 E CA 1.393 57.883 56.400 0.150 0.000 0.847 40 E CB 0.038 29.884 29.700 0.242 0.000 0.755 40 E HN 0.217 nan 8.360 nan 0.000 0.459 41 L N 0.022 121.233 121.223 -0.020 0.000 2.693 41 L HA 0.082 4.421 4.340 -0.000 0.000 0.235 41 L C 1.885 178.629 176.870 -0.210 0.000 1.127 41 L CA -0.423 54.349 54.840 -0.113 0.000 0.914 41 L CB 0.190 42.243 42.059 -0.010 0.000 1.193 41 L HN 0.214 nan 8.230 nan 0.000 0.502 42 L N -0.013 121.026 121.223 -0.306 0.000 1.994 42 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 42 L C 0.418 177.050 176.870 -0.396 0.000 1.071 42 L CA 1.628 56.218 54.840 -0.417 0.000 0.745 42 L CB -0.394 41.276 42.059 -0.648 0.000 0.892 42 L HN -0.005 nan 8.230 nan 0.000 0.431 43 Y N 1.783 122.026 120.300 -0.094 0.000 2.465 43 Y HA 0.396 4.945 4.550 -0.000 0.000 0.331 43 Y C 0.500 176.321 175.900 -0.131 0.000 1.102 43 Y CA -0.639 57.408 58.100 -0.089 0.000 1.358 43 Y CB -0.013 38.401 38.460 -0.078 0.000 1.213 43 Y HN 0.075 nan 8.280 nan 0.000 0.525 44 R N 1.793 122.332 120.500 0.065 0.000 2.832 44 R HA 0.276 4.615 4.340 -0.000 0.000 0.271 44 R C -0.475 175.845 176.300 0.034 0.000 0.996 44 R CA -1.208 54.891 56.100 -0.003 0.000 0.977 44 R CB 1.095 31.388 30.300 -0.011 0.000 1.168 44 R HN 0.619 nan 8.270 nan 0.000 0.482 45 N N 0.416 119.123 118.700 0.010 0.000 2.430 45 N HA 0.015 4.755 4.740 -0.000 0.000 0.265 45 N C 0.184 175.709 175.510 0.024 0.000 1.100 45 N CA 0.242 53.312 53.050 0.032 0.000 0.961 45 N CB 1.028 39.531 38.487 0.027 0.000 1.075 45 N HN 0.348 nan 8.380 nan 0.000 0.478 46 S N 3.388 119.104 115.700 0.027 0.000 2.383 46 S HA -0.132 4.338 4.470 -0.000 0.000 0.229 46 S C 1.348 175.955 174.600 0.012 0.000 1.030 46 S CA 1.162 59.372 58.200 0.017 0.000 1.002 46 S CB 0.061 63.268 63.200 0.012 0.000 0.829 46 S HN 0.673 nan 8.310 nan 0.000 0.467 47 E N 0.322 120.529 120.200 0.012 0.000 2.046 47 E HA -0.097 4.253 4.350 -0.000 0.000 0.190 47 E C 2.405 179.012 176.600 0.013 0.000 0.982 47 E CA 1.632 58.039 56.400 0.011 0.000 0.800 47 E CB -0.289 29.418 29.700 0.011 0.000 0.756 47 E HN 0.685 nan 8.360 nan 0.000 0.449 48 T N -3.144 111.420 114.554 0.017 0.000 3.051 48 T HA 0.225 4.575 4.350 -0.000 0.000 0.255 48 T C 1.648 176.355 174.700 0.013 0.000 1.085 48 T CA 0.684 62.795 62.100 0.018 0.000 1.109 48 T CB 0.596 69.479 68.868 0.025 0.000 0.921 48 T HN 0.329 nan 8.240 nan 0.000 0.488 49 G N 1.407 110.212 108.800 0.008 0.000 2.199 49 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.254 49 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.254 49 G C -0.207 174.687 174.900 -0.010 0.000 0.982 49 G CA 0.154 45.255 45.100 0.001 0.000 0.632 49 G HN 0.607 nan 8.290 nan 0.000 0.529 50 D N 1.753 122.147 120.400 -0.009 0.000 2.377 50 D HA 0.433 5.073 4.640 -0.000 0.000 0.245 50 D C -2.128 174.112 176.300 -0.100 0.000 1.196 50 D CA -0.965 53.018 54.000 -0.029 0.000 0.962 50 D CB 0.756 41.560 40.800 0.008 0.000 1.127 50 D HN 0.165 nan 8.370 nan 0.000 0.471 51 P HA 0.019 nan 4.420 nan 0.000 0.271 51 P C 0.342 177.340 177.300 -0.503 0.000 1.216 51 P CA -0.017 62.796 63.100 -0.479 0.000 0.776 51 P CB 0.687 31.906 31.700 -0.802 0.000 0.881 52 S N 1.662 117.135 115.700 -0.379 0.000 2.492 52 S HA 0.090 4.560 4.470 -0.000 0.000 0.218 52 S C 0.583 175.128 174.600 -0.091 0.000 1.016 52 S CA -0.114 58.003 58.200 -0.138 0.000 0.916 52 S CB -0.800 62.416 63.200 0.026 0.000 0.791 52 S HN 0.281 nan 8.310 nan 0.000 0.513 53 F N 0.789 120.712 119.950 -0.046 0.000 3.018 53 F HA -0.202 4.325 4.527 -0.000 0.000 0.287 53 F C 0.997 176.718 175.800 -0.132 0.000 0.813 53 F CA 0.310 58.191 58.000 -0.199 0.000 1.209 53 F CB -2.591 36.099 39.000 -0.516 0.000 1.321 53 F HN 0.448 nan 8.300 nan 0.000 0.477 54 I N -2.514 118.077 120.570 0.035 0.000 2.830 54 I HA 0.106 4.276 4.170 -0.000 0.000 0.263 54 I C 1.999 178.059 176.117 -0.096 0.000 1.230 54 I CA 1.647 62.882 61.300 -0.108 0.000 1.480 54 I CB -0.560 37.232 38.000 -0.348 0.000 1.095 54 I HN 0.231 nan 8.210 nan 0.000 0.455 55 G N 0.466 109.300 108.800 0.057 0.000 3.189 55 G HA2 0.287 4.247 3.960 -0.000 0.000 0.225 55 G HA3 0.287 4.247 3.960 -0.000 0.000 0.225 55 G C 0.202 175.179 174.900 0.129 0.000 1.159 55 G CA -0.132 45.029 45.100 0.102 0.000 0.763 55 G HN 0.362 nan 8.290 nan 0.000 0.549 56 S N -0.517 115.250 115.700 0.111 0.000 2.568 56 S HA 0.516 4.986 4.470 -0.000 0.000 0.302 56 S C -0.998 173.725 174.600 0.204 0.000 1.082 56 S CA -0.684 57.609 58.200 0.154 0.000 1.009 56 S CB 1.677 64.872 63.200 -0.008 0.000 1.069 56 S HN 0.231 nan 8.310 nan 0.000 0.500 57 F N 3.307 123.371 119.950 0.189 0.000 2.533 57 F HA 0.269 4.796 4.527 -0.000 0.000 0.378 57 F C 1.268 177.214 175.800 0.242 0.000 1.070 57 F CA 0.264 58.371 58.000 0.179 0.000 1.172 57 F CB 0.390 39.493 39.000 0.173 0.000 1.085 57 F HN 0.603 nan 8.300 nan 0.000 0.552 58 T N 2.239 116.608 114.554 -0.308 0.000 3.275 58 T HA 0.173 4.522 4.350 -0.000 0.000 0.298 58 T C 0.221 174.726 174.700 -0.325 0.000 0.988 58 T CA -0.691 61.298 62.100 -0.184 0.000 0.936 58 T CB -0.351 68.545 68.868 0.047 0.000 1.159 58 T HN 0.586 nan 8.240 nan 0.000 0.519 59 K N 1.150 120.983 120.400 -0.947 0.000 2.472 59 K HA 0.369 4.689 4.320 -0.000 0.000 0.280 59 K C 1.463 177.786 176.600 -0.462 0.000 1.028 59 K CA 1.540 57.367 56.287 -0.766 0.000 1.045 59 K CB -0.337 31.464 32.500 -1.164 0.000 0.902 59 K HN 0.505 nan 8.250 nan 0.000 0.478 60 G N 3.296 112.060 108.800 -0.060 0.000 2.313 60 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.215 60 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.215 60 G C 0.013 175.016 174.900 0.172 0.000 1.023 60 G CA -0.146 45.047 45.100 0.155 0.000 0.626 60 G HN 0.513 nan 8.290 nan 0.000 0.503 61 L N 2.647 123.944 121.223 0.123 0.000 2.417 61 L HA 0.426 4.766 4.340 -0.000 0.000 0.268 61 L C -1.914 174.824 176.870 -0.220 0.000 1.158 61 L CA -2.004 52.824 54.840 -0.020 0.000 0.819 61 L CB 0.590 42.587 42.059 -0.104 0.000 1.112 61 L HN -0.031 nan 8.230 nan 0.000 0.458 62 P HA 0.093 nan 4.420 nan 0.000 0.266 62 P C -1.163 176.002 177.300 -0.224 0.000 1.215 62 P CA 0.187 63.234 63.100 -0.089 0.000 0.763 62 P CB 0.248 31.933 31.700 -0.025 0.000 0.806 63 H N 0.340 119.445 119.070 0.058 0.000 2.567 63 H HA 0.353 4.909 4.556 -0.000 0.000 0.345 63 H C 0.571 175.948 175.328 0.081 0.000 1.169 63 H CA -0.367 55.722 56.048 0.068 0.000 1.227 63 H CB 0.679 30.473 29.762 0.053 0.000 1.607 63 H HN 0.392 nan 8.280 nan 0.000 0.534 64 D N -0.375 120.154 120.400 0.214 0.000 2.478 64 D HA 0.004 4.644 4.640 -0.000 0.000 0.269 64 D C 0.283 176.686 176.300 0.172 0.000 1.232 64 D CA -0.518 53.575 54.000 0.155 0.000 1.059 64 D CB 0.452 41.327 40.800 0.125 0.000 1.104 64 D HN 0.394 nan 8.370 nan 0.000 0.566 65 D N -1.364 119.115 120.400 0.132 0.000 2.350 65 D HA -0.079 4.560 4.640 -0.000 0.000 0.216 65 D C 0.686 177.074 176.300 0.147 0.000 0.968 65 D CA 0.758 54.835 54.000 0.128 0.000 0.894 65 D CB -0.376 40.477 40.800 0.088 0.000 0.909 65 D HN 0.465 nan 8.370 nan 0.000 0.520 66 N N -0.791 118.007 118.700 0.164 0.000 2.299 66 N HA 0.172 4.912 4.740 -0.000 0.000 0.187 66 N C 1.051 176.787 175.510 0.376 0.000 1.099 66 N CA 0.361 53.536 53.050 0.208 0.000 0.867 66 N CB 1.057 39.577 38.487 0.054 0.000 0.974 66 N HN 0.101 nan 8.380 nan 0.000 0.477 67 G N 0.229 109.218 108.800 0.315 0.000 2.141 67 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.231 67 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.231 67 G C 0.025 175.123 174.900 0.329 0.000 0.984 67 G CA 0.026 45.289 45.100 0.272 0.000 0.660 67 G HN 0.474 nan 8.290 nan 0.000 0.525 68 A N 0.228 123.279 122.820 0.385 0.000 2.303 68 A HA 0.820 5.140 4.320 -0.000 0.000 0.317 68 A C 0.829 178.576 177.584 0.272 0.000 1.149 68 A CA -0.261 51.980 52.037 0.339 0.000 0.822 68 A CB 0.432 19.654 19.000 0.371 0.000 1.131 68 A HN 1.555 nan 8.150 nan 0.000 0.493 69 I N -0.096 120.578 120.570 0.173 0.000 2.754 69 I HA 0.166 4.336 4.170 -0.000 0.000 0.285 69 I C 0.681 176.837 176.117 0.064 0.000 1.166 69 I CA -0.177 61.119 61.300 -0.006 0.000 1.417 69 I CB 0.302 38.276 38.000 -0.044 0.000 1.382 69 I HN 0.655 nan 8.210 nan 0.000 0.588 70 I N 1.179 121.763 120.570 0.024 0.000 2.286 70 I HA -0.071 4.099 4.170 -0.000 0.000 0.245 70 I C 0.593 176.752 176.117 0.070 0.000 1.104 70 I CA 1.434 62.767 61.300 0.055 0.000 1.397 70 I CB -0.160 37.862 38.000 0.037 0.000 1.072 70 I HN 0.727 nan 8.210 nan 0.000 0.417 71 D N 0.204 120.647 120.400 0.072 0.000 2.505 71 D HA 0.184 4.824 4.640 -0.000 0.000 0.250 71 D C -1.884 174.507 176.300 0.152 0.000 1.164 71 D CA -2.433 51.626 54.000 0.098 0.000 0.870 71 D CB 1.836 42.680 40.800 0.073 0.000 1.160 71 D HN -0.175 nan 8.370 nan 0.000 0.549 72 P HA -0.109 nan 4.420 nan 0.000 0.218 72 P C 0.568 178.049 177.300 0.302 0.000 1.148 72 P CA 0.805 64.127 63.100 0.370 0.000 0.822 72 P CB 0.548 32.474 31.700 0.377 0.000 0.784 73 D N -0.253 120.261 120.400 0.191 0.000 2.218 73 D HA -0.132 4.508 4.640 -0.000 0.000 0.204 73 D C 1.527 177.890 176.300 0.104 0.000 0.976 73 D CA 0.923 55.004 54.000 0.135 0.000 0.853 73 D CB -0.634 40.223 40.800 0.096 0.000 0.939 73 D HN 0.155 nan 8.370 nan 0.000 0.481 74 D N -0.382 120.082 120.400 0.106 0.000 2.117 74 D HA -0.143 4.497 4.640 -0.000 0.000 0.197 74 D C 1.759 178.102 176.300 0.072 0.000 0.987 74 D CA 0.456 54.504 54.000 0.080 0.000 0.829 74 D CB -0.368 40.472 40.800 0.067 0.000 0.961 74 D HN 0.222 nan 8.370 nan 0.000 0.460 75 F N 1.099 120.993 119.950 -0.093 0.000 2.163 75 F HA -0.041 4.486 4.527 -0.000 0.000 0.297 75 F C 2.114 177.835 175.800 -0.133 0.000 1.094 75 F CA 0.906 58.788 58.000 -0.197 0.000 1.290 75 F CB -0.204 38.412 39.000 -0.640 0.000 1.017 75 F HN -0.138 nan 8.300 nan 0.000 0.483 76 L N -0.088 121.102 121.223 -0.056 0.000 2.083 76 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 76 L C 2.731 179.535 176.870 -0.109 0.000 1.083 76 L CA 1.131 55.932 54.840 -0.066 0.000 0.752 76 L CB -1.180 40.935 42.059 0.094 0.000 0.899 76 L HN 0.231 nan 8.230 nan 0.000 0.433 77 A N -0.317 122.470 122.820 -0.056 0.000 1.968 77 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 77 A C 2.147 179.672 177.584 -0.099 0.000 1.169 77 A CA 1.094 53.100 52.037 -0.052 0.000 0.638 77 A CB -0.677 18.324 19.000 0.002 0.000 0.812 77 A HN 0.398 nan 8.150 nan 0.000 0.446 78 F N 0.905 120.660 119.950 -0.326 0.000 2.102 78 F HA -0.143 4.384 4.527 -0.000 0.000 0.298 78 F C 2.150 177.673 175.800 -0.463 0.000 1.105 78 F CA 1.896 59.622 58.000 -0.457 0.000 1.239 78 F CB -0.492 38.162 39.000 -0.576 0.000 0.991 78 F HN 0.019 nan 8.300 nan 0.000 0.474 79 V N 1.190 120.703 119.914 -0.669 0.000 2.343 79 V HA -0.270 3.850 4.120 -0.000 0.000 0.247 79 V C 2.586 178.441 176.094 -0.399 0.000 1.051 79 V CA 2.126 64.049 62.300 -0.628 0.000 1.036 79 V CB -0.699 30.821 31.823 -0.506 0.000 0.654 79 V HN 0.281 nan 8.190 nan 0.000 0.451 80 R N 0.105 120.440 120.500 -0.275 0.000 2.081 80 R HA -0.147 4.192 4.340 -0.000 0.000 0.235 80 R C 2.453 178.637 176.300 -0.194 0.000 1.131 80 R CA 1.552 57.543 56.100 -0.182 0.000 0.960 80 R CB -0.631 29.601 30.300 -0.114 0.000 0.856 80 R HN 0.537 nan 8.270 nan 0.000 0.436 81 A N 1.159 123.845 122.820 -0.223 0.000 1.933 81 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 81 A C 2.149 179.569 177.584 -0.274 0.000 1.175 81 A CA 1.199 53.113 52.037 -0.205 0.000 0.628 81 A CB -0.453 18.442 19.000 -0.175 0.000 0.814 81 A HN 0.186 nan 8.150 nan 0.000 0.444 82 I N 0.148 120.466 120.570 -0.419 0.000 2.179 82 I HA -0.270 3.900 4.170 -0.000 0.000 0.242 82 I C 1.925 177.878 176.117 -0.274 0.000 1.088 82 I CA 1.312 62.349 61.300 -0.438 0.000 1.357 82 I CB -0.343 37.319 38.000 -0.564 0.000 1.051 82 I HN 0.290 nan 8.210 nan 0.000 0.409 83 N N 0.082 118.646 118.700 -0.227 0.000 2.381 83 N HA -0.118 4.622 4.740 -0.000 0.000 0.182 83 N C 1.938 177.380 175.510 -0.113 0.000 1.025 83 N CA 1.558 54.523 53.050 -0.142 0.000 0.888 83 N CB -0.142 38.272 38.487 -0.122 0.000 0.965 83 N HN 0.430 nan 8.380 nan 0.000 0.438 84 S N -1.387 114.240 115.700 -0.122 0.000 2.475 84 S HA 0.215 4.685 4.470 -0.000 0.000 0.224 84 S C 1.595 176.143 174.600 -0.088 0.000 1.042 84 S CA 0.867 59.014 58.200 -0.088 0.000 0.935 84 S CB 0.252 63.408 63.200 -0.075 0.000 0.801 84 S HN 0.308 nan 8.310 nan 0.000 0.509 85 G N 1.409 110.141 108.800 -0.112 0.000 2.184 85 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.264 85 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.264 85 G C -0.182 174.678 174.900 -0.067 0.000 0.975 85 G CA 0.360 45.398 45.100 -0.102 0.000 0.642 85 G HN 0.756 nan 8.290 nan 0.000 0.536 86 D N 0.553 120.920 120.400 -0.055 0.000 2.434 86 D HA 0.410 5.049 4.640 -0.000 0.000 0.252 86 D C 1.547 177.834 176.300 -0.021 0.000 1.185 86 D CA 0.202 54.183 54.000 -0.032 0.000 0.886 86 D CB 0.468 41.252 40.800 -0.027 0.000 1.148 86 D HN 0.431 nan 8.370 nan 0.000 0.483 87 E N 2.798 122.993 120.200 -0.008 0.000 2.077 87 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 87 E C 1.600 178.210 176.600 0.017 0.000 0.989 87 E CA 1.380 57.784 56.400 0.007 0.000 0.800 87 E CB 0.054 29.760 29.700 0.009 0.000 0.746 87 E HN 0.531 nan 8.360 nan 0.000 0.452 88 K N 0.616 121.023 120.400 0.012 0.000 2.097 88 K HA -0.153 4.167 4.320 -0.000 0.000 0.205 88 K C 2.212 178.825 176.600 0.022 0.000 1.050 88 K CA 1.229 57.527 56.287 0.018 0.000 0.938 88 K CB -0.056 32.451 32.500 0.012 0.000 0.718 88 K HN 0.129 nan 8.250 nan 0.000 0.442 89 E N 1.214 121.419 120.200 0.010 0.000 2.077 89 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 89 E C 1.936 178.550 176.600 0.023 0.000 0.989 89 E CA 0.943 57.346 56.400 0.006 0.000 0.800 89 E CB 0.011 29.700 29.700 -0.019 0.000 0.746 89 E HN 0.254 nan 8.360 nan 0.000 0.452 90 I N 0.665 121.253 120.570 0.029 0.000 2.315 90 I HA -0.222 3.948 4.170 -0.000 0.000 0.248 90 I C 2.459 178.657 176.117 0.135 0.000 1.117 90 I CA 0.934 62.281 61.300 0.078 0.000 1.404 90 I CB -0.229 37.815 38.000 0.074 0.000 1.071 90 I HN 0.135 nan 8.210 nan 0.000 0.419 91 A N 0.589 123.466 122.820 0.096 0.000 2.015 91 A HA 0.018 4.338 4.320 -0.000 0.000 0.219 91 A C 2.357 179.997 177.584 0.092 0.000 1.163 91 A CA 1.454 53.549 52.037 0.095 0.000 0.646 91 A CB -0.543 18.492 19.000 0.059 0.000 0.806 91 A HN 0.411 nan 8.150 nan 0.000 0.448 92 A N -0.723 122.144 122.820 0.078 0.000 2.238 92 A HA 0.442 4.762 4.320 -0.000 0.000 0.208 92 A C 0.878 178.516 177.584 0.090 0.000 1.177 92 A CA -0.198 51.880 52.037 0.068 0.000 0.804 92 A CB -0.409 18.617 19.000 0.044 0.000 0.823 92 A HN 0.444 nan 8.150 nan 0.000 0.482 93 L N -0.089 121.216 121.223 0.137 0.000 2.472 93 L HA 0.175 4.515 4.340 -0.000 0.000 0.260 93 L C 0.344 177.332 176.870 0.196 0.000 1.209 93 L CA -0.247 54.698 54.840 0.175 0.000 0.817 93 L CB 0.448 42.662 42.059 0.258 0.000 1.106 93 L HN 0.006 nan 8.230 nan 0.000 0.479 94 T N 2.977 117.644 114.554 0.187 0.000 2.743 94 T HA 0.489 4.838 4.350 -0.000 0.000 0.293 94 T C -0.510 174.321 174.700 0.219 0.000 0.945 94 T CA -0.219 61.971 62.100 0.149 0.000 1.030 94 T CB 0.777 69.703 68.868 0.097 0.000 0.912 94 T HN 0.221 nan 8.240 nan 0.000 0.483 95 L N 3.466 124.769 121.223 0.133 0.000 2.410 95 L HA 0.772 5.112 4.340 -0.000 0.000 0.270 95 L C 0.164 177.041 176.870 0.011 0.000 0.983 95 L CA 0.639 55.520 54.840 0.067 0.000 0.822 95 L CB 1.090 43.120 42.059 -0.049 0.000 1.285 95 L HN 0.919 nan 8.230 nan 0.000 0.409 96 G N 4.211 113.030 108.800 0.031 0.000 2.781 96 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.683 96 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.683 96 G C -3.054 171.820 174.900 -0.042 0.000 1.390 96 G CA -0.414 44.697 45.100 0.018 0.000 0.850 96 G HN 0.679 nan 8.290 nan 0.000 0.557 97 P HA 0.559 nan 4.420 nan 0.000 0.282 97 P C 0.357 177.541 177.300 -0.194 0.000 1.287 97 P CA 0.390 63.393 63.100 -0.162 0.000 0.792 97 P CB 0.567 32.115 31.700 -0.254 0.000 1.163 98 A N 1.206 123.937 122.820 -0.149 0.000 2.565 98 A HA 0.075 4.395 4.320 -0.000 0.000 0.237 98 A C 0.491 177.966 177.584 -0.182 0.000 1.053 98 A CA 0.286 52.247 52.037 -0.128 0.000 0.755 98 A CB -0.632 18.316 19.000 -0.087 0.000 0.980 98 A HN 0.425 nan 8.150 nan 0.000 0.506 99 R N 1.156 121.569 120.500 -0.146 0.000 2.540 99 R HA 0.353 4.693 4.340 -0.000 0.000 0.287 99 R C -0.748 175.485 176.300 -0.111 0.000 0.980 99 R CA -0.689 55.317 56.100 -0.156 0.000 0.966 99 R CB 1.090 31.311 30.300 -0.131 0.000 1.106 99 R HN 0.853 nan 8.270 nan 0.000 0.480 100 D N 2.177 122.512 120.400 -0.108 0.000 2.383 100 D HA 0.074 4.714 4.640 -0.000 0.000 0.252 100 D C -1.591 174.675 176.300 -0.056 0.000 1.166 100 D CA -1.687 52.269 54.000 -0.073 0.000 0.879 100 D CB 1.167 41.927 40.800 -0.067 0.000 1.164 100 D HN 0.164 nan 8.370 nan 0.000 0.462 101 P HA -0.061 nan 4.420 nan 0.000 0.223 101 P C 0.515 177.799 177.300 -0.027 0.000 1.151 101 P CA 0.793 63.873 63.100 -0.033 0.000 0.787 101 P CB 0.348 32.033 31.700 -0.026 0.000 0.788 102 E N -0.327 119.857 120.200 -0.026 0.000 2.005 102 E HA -0.119 4.231 4.350 -0.000 0.000 0.191 102 E C 2.182 178.768 176.600 -0.022 0.000 0.987 102 E CA 2.112 58.500 56.400 -0.020 0.000 0.814 102 E CB -1.517 28.172 29.700 -0.017 0.000 0.772 102 E HN 0.299 nan 8.360 nan 0.000 0.453 103 T N -2.963 111.575 114.554 -0.027 0.000 2.857 103 T HA 0.065 4.415 4.350 -0.000 0.000 0.266 103 T C 1.742 176.423 174.700 -0.033 0.000 1.048 103 T CA 1.038 63.122 62.100 -0.027 0.000 1.139 103 T CB -0.306 68.546 68.868 -0.027 0.000 0.874 103 T HN 0.385 nan 8.240 nan 0.000 0.455 104 G N 1.065 109.838 108.800 -0.044 0.000 2.141 104 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.242 104 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.242 104 G C -0.074 174.786 174.900 -0.066 0.000 0.982 104 G CA 0.176 45.247 45.100 -0.049 0.000 0.662 104 G HN 0.636 nan 8.290 nan 0.000 0.527 105 L N 0.946 122.124 121.223 -0.076 0.000 2.343 105 L HA 0.440 4.780 4.340 -0.000 0.000 0.275 105 L C -1.777 174.977 176.870 -0.193 0.000 1.056 105 L CA -2.191 52.591 54.840 -0.097 0.000 0.804 105 L CB 1.269 43.292 42.059 -0.060 0.000 1.203 105 L HN -0.123 nan 8.230 nan 0.000 0.440 106 P HA 0.112 nan 4.420 nan 0.000 0.268 106 P C -0.668 176.182 177.300 -0.750 0.000 1.205 106 P CA 0.189 62.915 63.100 -0.623 0.000 0.771 106 P CB 0.467 31.566 31.700 -1.002 0.000 0.858 107 I N 3.306 123.497 120.570 -0.631 0.000 2.297 107 I HA 0.246 4.416 4.170 -0.000 0.000 0.291 107 I C 0.171 176.023 176.117 -0.443 0.000 1.033 107 I CA -0.432 60.620 61.300 -0.413 0.000 1.253 107 I CB 0.226 38.105 38.000 -0.201 0.000 1.396 107 I HN 0.282 nan 8.210 nan 0.000 0.476 108 W N 5.396 126.695 121.300 -0.003 0.000 2.332 108 W HA 0.429 5.089 4.660 -0.000 0.000 0.351 108 W C 1.493 178.028 176.519 0.026 0.000 1.195 108 W CA -0.733 56.619 57.345 0.011 0.000 1.334 108 W CB 0.587 30.048 29.460 0.003 0.000 1.206 108 W HN 0.383 nan 8.180 nan 0.000 0.637 109 R N 0.452 121.148 120.500 0.327 0.000 2.075 109 R HA -0.034 4.306 4.340 -0.000 0.000 0.226 109 R C 1.030 177.436 176.300 0.177 0.000 1.114 109 R CA 0.898 57.119 56.100 0.201 0.000 0.972 109 R CB -0.400 30.006 30.300 0.178 0.000 0.869 109 R HN 0.481 nan 8.270 nan 0.000 0.437 110 S N 0.711 116.528 115.700 0.195 0.000 2.565 110 S HA 0.080 4.550 4.470 -0.000 0.000 0.274 110 S C 0.300 174.980 174.600 0.133 0.000 1.309 110 S CA -0.898 57.386 58.200 0.141 0.000 1.043 110 S CB 1.559 64.832 63.200 0.122 0.000 0.939 110 S HN -0.005 nan 8.310 nan 0.000 0.504 111 D N 1.160 121.621 120.400 0.101 0.000 2.144 111 D HA -0.093 4.547 4.640 -0.000 0.000 0.199 111 D C 1.729 178.079 176.300 0.083 0.000 0.984 111 D CA 0.841 54.894 54.000 0.088 0.000 0.834 111 D CB -0.361 40.482 40.800 0.071 0.000 0.955 111 D HN 0.494 nan 8.370 nan 0.000 0.465 112 L N 1.137 122.413 121.223 0.088 0.000 1.989 112 L HA -0.157 4.183 4.340 -0.000 0.000 0.211 112 L C 2.169 179.047 176.870 0.012 0.000 1.071 112 L CA 2.109 57.000 54.840 0.086 0.000 0.749 112 L CB -0.913 41.226 42.059 0.134 0.000 0.890 112 L HN -0.002 nan 8.230 nan 0.000 0.431 113 A N -0.682 122.127 122.820 -0.018 0.000 1.902 113 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 113 A C 2.117 179.665 177.584 -0.061 0.000 1.181 113 A CA 1.841 53.702 52.037 -0.293 0.000 0.623 113 A CB -0.785 17.855 19.000 -0.599 0.000 0.818 113 A HN 0.645 nan 8.150 nan 0.000 0.443 114 N N 0.428 119.215 118.700 0.144 0.000 2.142 114 N HA -0.137 4.603 4.740 -0.000 0.000 0.186 114 N C 2.097 177.662 175.510 0.092 0.000 1.023 114 N CA 1.775 54.943 53.050 0.197 0.000 0.852 114 N CB -0.403 38.184 38.487 0.168 0.000 0.998 114 N HN 0.644 nan 8.380 nan 0.000 0.424 115 S N 0.594 116.327 115.700 0.055 0.000 2.442 115 S HA -0.012 4.458 4.470 -0.000 0.000 0.236 115 S C 1.900 176.509 174.600 0.015 0.000 1.007 115 S CA 0.606 58.830 58.200 0.039 0.000 0.965 115 S CB -0.381 62.848 63.200 0.048 0.000 0.773 115 S HN 0.240 nan 8.310 nan 0.000 0.504 116 L N 0.647 121.850 121.223 -0.033 0.000 2.529 116 L HA 0.198 4.538 4.340 -0.000 0.000 0.223 116 L C -0.124 176.711 176.870 -0.058 0.000 1.113 116 L CA 0.157 54.953 54.840 -0.073 0.000 0.861 116 L CB -0.430 41.508 42.059 -0.202 0.000 1.012 116 L HN 0.119 nan 8.230 nan 0.000 0.461 117 D N 0.669 121.068 120.400 -0.001 0.000 2.746 117 D HA -0.160 4.480 4.640 -0.000 0.000 0.236 117 D C -0.015 176.309 176.300 0.040 0.000 1.129 117 D CA 0.670 54.698 54.000 0.046 0.000 0.691 117 D CB -1.454 39.358 40.800 0.020 0.000 1.077 117 D HN 0.179 nan 8.370 nan 0.000 0.432 118 L N -0.088 121.136 121.223 0.002 0.000 2.483 118 L HA 0.060 4.400 4.340 -0.000 0.000 0.276 118 L C 1.427 178.424 176.870 0.212 0.000 1.213 118 L CA 0.700 55.484 54.840 -0.094 0.000 0.843 118 L CB 0.461 42.171 42.059 -0.582 0.000 1.107 118 L HN -0.021 nan 8.230 nan 0.000 0.487 119 E N 0.922 121.166 120.200 0.074 0.000 2.285 119 E HA 0.433 4.783 4.350 -0.000 0.000 0.254 119 E C -0.855 175.826 176.600 0.135 0.000 1.011 119 E CA -0.577 55.896 56.400 0.122 0.000 0.873 119 E CB 2.126 31.836 29.700 0.015 0.000 1.229 119 E HN 0.312 nan 8.360 nan 0.000 0.422 120 V N -0.792 119.175 119.914 0.089 0.000 2.863 120 V HA 0.636 4.756 4.120 -0.000 0.000 0.307 120 V C 0.046 176.039 176.094 -0.169 0.000 1.061 120 V CA -0.692 61.616 62.300 0.014 0.000 1.024 120 V CB 1.130 32.943 31.823 -0.016 0.000 1.049 120 V HN 0.669 nan 8.190 nan 0.000 0.471 121 R N 2.025 122.308 120.500 -0.361 0.000 2.778 121 R HA 0.859 5.199 4.340 -0.000 0.000 0.277 121 R C -0.015 175.783 176.300 -0.836 0.000 0.977 121 R CA -0.380 55.397 56.100 -0.538 0.000 0.950 121 R CB 1.811 31.758 30.300 -0.589 0.000 1.165 121 R HN 0.986 nan 8.270 nan 0.000 0.474 122 G N 0.493 108.926 108.800 -0.611 0.000 2.552 122 G HA2 0.363 4.323 3.960 -0.000 0.000 0.324 122 G HA3 0.363 4.323 3.960 -0.000 0.000 0.324 122 G C -0.848 173.920 174.900 -0.221 0.000 1.217 122 G CA -1.066 43.734 45.100 -0.499 0.000 0.989 122 G HN 0.441 nan 8.290 nan 0.000 0.490 123 W N 0.480 121.999 121.300 0.365 0.000 2.181 123 W HA 0.207 4.867 4.660 -0.000 0.000 0.335 123 W C 0.149 176.889 176.519 0.368 0.000 1.310 123 W CA -0.025 57.664 57.345 0.572 0.000 1.226 123 W CB 0.352 30.185 29.460 0.622 0.000 1.155 123 W HN 0.463 nan 8.180 nan 0.000 0.565 124 E N 2.136 122.734 120.200 0.663 0.000 2.044 124 E HA 0.060 4.410 4.350 -0.000 0.000 0.282 124 E C -0.358 176.415 176.600 0.287 0.000 1.031 124 E CA -0.303 56.348 56.400 0.418 0.000 0.824 124 E CB -0.032 29.941 29.700 0.455 0.000 1.076 124 E HN 0.379 nan 8.360 nan 0.000 0.395 125 N N 1.982 120.760 118.700 0.130 0.000 2.667 125 N HA -0.218 4.522 4.740 -0.000 0.000 0.263 125 N C 0.444 175.804 175.510 -0.250 0.000 1.038 125 N CA 0.585 53.627 53.050 -0.013 0.000 0.749 125 N CB -0.684 37.811 38.487 0.013 0.000 0.892 125 N HN 0.529 nan 8.380 nan 0.000 0.546 126 S N -2.609 112.808 115.700 -0.472 0.000 2.474 126 S HA -0.029 4.441 4.470 -0.000 0.000 0.235 126 S C 1.175 175.256 174.600 -0.865 0.000 0.997 126 S CA 0.665 58.064 58.200 -1.335 0.000 0.949 126 S CB 0.450 63.087 63.200 -0.938 0.000 0.766 126 S HN 0.372 nan 8.310 nan 0.000 0.517 127 S N 0.596 116.048 115.700 -0.413 0.000 2.664 127 S HA 0.584 5.054 4.470 -0.000 0.000 0.245 127 S C 1.471 175.979 174.600 -0.153 0.000 1.019 127 S CA 0.054 58.103 58.200 -0.252 0.000 0.996 127 S CB 0.491 63.575 63.200 -0.195 0.000 0.878 127 S HN 0.618 nan 8.310 nan 0.000 0.493 128 A N 1.216 123.961 122.820 -0.125 0.000 2.067 128 A HA 0.119 4.439 4.320 -0.000 0.000 0.219 128 A C 2.050 179.604 177.584 -0.049 0.000 1.158 128 A CA 1.366 53.364 52.037 -0.065 0.000 0.661 128 A CB -0.758 18.225 19.000 -0.029 0.000 0.801 128 A HN 0.527 nan 8.150 nan 0.000 0.452 129 G N -0.812 107.983 108.800 -0.008 0.000 2.776 129 G HA2 0.119 4.078 3.960 -0.000 0.000 0.209 129 G HA3 0.119 4.078 3.960 -0.000 0.000 0.209 129 G C 1.166 176.022 174.900 -0.073 0.000 1.145 129 G CA 0.475 45.605 45.100 0.050 0.000 0.791 129 G HN 0.464 nan 8.290 nan 0.000 0.530 130 L N 0.377 121.513 121.223 -0.144 0.000 2.529 130 L HA 0.122 4.462 4.340 -0.000 0.000 0.223 130 L C 0.873 177.476 176.870 -0.444 0.000 1.113 130 L CA 0.064 54.741 54.840 -0.272 0.000 0.861 130 L CB -0.123 41.817 42.059 -0.197 0.000 1.012 130 L HN -0.027 nan 8.230 nan 0.000 0.461 131 T N 0.854 115.228 114.554 -0.300 0.000 2.901 131 T HA 0.214 4.564 4.350 -0.000 0.000 0.301 131 T C 0.022 174.538 174.700 -0.307 0.000 1.012 131 T CA -0.037 61.912 62.100 -0.251 0.000 1.135 131 T CB 0.464 69.274 68.868 -0.097 0.000 0.936 131 T HN -0.167 nan 8.240 nan 0.000 0.539 132 F N 1.262 121.187 119.950 -0.042 0.000 2.291 132 F HA 0.486 5.013 4.527 -0.000 0.000 0.305 132 F C 1.180 176.959 175.800 -0.035 0.000 1.171 132 F CA -0.566 57.406 58.000 -0.046 0.000 1.090 132 F CB 0.647 39.622 39.000 -0.042 0.000 1.436 132 F HN 0.433 nan 8.300 nan 0.000 0.509 133 D N -0.520 119.997 120.400 0.195 0.000 2.655 133 D HA 0.249 4.889 4.640 -0.000 0.000 0.229 133 D C 0.113 176.449 176.300 0.059 0.000 1.229 133 D CA -0.350 53.704 54.000 0.090 0.000 0.807 133 D CB 2.018 42.848 40.800 0.050 0.000 1.514 133 D HN 0.377 nan 8.370 nan 0.000 0.444 134 L N 1.046 122.287 121.223 0.030 0.000 2.478 134 L HA 0.047 4.387 4.340 -0.000 0.000 0.223 134 L C 0.803 177.671 176.870 -0.003 0.000 1.140 134 L CA 0.794 55.636 54.840 0.003 0.000 0.842 134 L CB -0.166 41.892 42.059 -0.001 0.000 0.953 134 L HN 0.420 nan 8.230 nan 0.000 0.452 135 E N -1.040 119.164 120.200 0.007 0.000 2.390 135 E HA 0.587 4.937 4.350 -0.000 0.000 0.277 135 E C -0.265 176.339 176.600 0.006 0.000 0.939 135 E CA -0.452 55.949 56.400 0.002 0.000 0.769 135 E CB 2.180 31.882 29.700 0.004 0.000 1.251 135 E HN -0.024 nan 8.360 nan 0.000 0.450 136 G N 1.449 110.251 108.800 0.003 0.000 2.795 136 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.664 136 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.664 136 G C -2.743 172.156 174.900 -0.000 0.000 1.381 136 G CA -0.611 44.489 45.100 0.001 0.000 0.853 136 G HN 0.565 nan 8.290 nan 0.000 0.545 137 P HA 0.294 nan 4.420 nan 0.000 0.265 137 P C 0.086 177.380 177.300 -0.010 0.000 1.193 137 P CA 0.218 63.314 63.100 -0.008 0.000 0.765 137 P CB 0.573 32.267 31.700 -0.011 0.000 0.823 138 D N 2.125 122.519 120.400 -0.010 0.000 2.423 138 D HA 0.124 4.764 4.640 -0.000 0.000 0.238 138 D C 1.342 177.596 176.300 -0.077 0.000 1.142 138 D CA 0.118 54.109 54.000 -0.016 0.000 0.884 138 D CB 0.709 41.515 40.800 0.010 0.000 1.199 138 D HN 0.310 nan 8.370 nan 0.000 0.438 139 A N 3.043 125.792 122.820 -0.118 0.000 1.948 139 A HA -0.244 4.075 4.320 -0.000 0.000 0.220 139 A C 1.752 179.158 177.584 -0.297 0.000 1.177 139 A CA 1.551 53.494 52.037 -0.157 0.000 0.636 139 A CB -0.486 18.412 19.000 -0.169 0.000 0.815 139 A HN 0.789 nan 8.150 nan 0.000 0.449 140 Q N -0.210 119.300 119.800 -0.484 0.000 2.320 140 Q HA 0.052 4.392 4.340 -0.000 0.000 0.201 140 Q C 1.599 177.427 176.000 -0.286 0.000 0.910 140 Q CA 0.607 55.969 55.803 -0.735 0.000 0.946 140 Q CB 0.103 28.274 28.738 -0.945 0.000 1.062 140 Q HN 0.810 nan 8.270 nan 0.000 0.503 141 S N -0.997 114.612 115.700 -0.151 0.000 2.524 141 S HA 0.089 4.559 4.470 -0.000 0.000 0.216 141 S C 0.855 175.442 174.600 -0.022 0.000 0.987 141 S CA -0.251 57.910 58.200 -0.066 0.000 0.909 141 S CB -0.043 63.130 63.200 -0.045 0.000 0.781 141 S HN 0.155 nan 8.310 nan 0.000 0.521 142 V N -1.547 118.363 119.914 -0.006 0.000 2.994 142 V HA 0.996 5.116 4.120 -0.000 0.000 0.318 142 V C -0.227 175.912 176.094 0.075 0.000 1.085 142 V CA -0.862 61.456 62.300 0.029 0.000 0.998 142 V CB 1.050 32.886 31.823 0.021 0.000 1.063 142 V HN 0.467 nan 8.190 nan 0.000 0.447 143 A N 2.765 125.636 122.820 0.084 0.000 2.498 143 A HA 0.922 5.242 4.320 -0.000 0.000 0.298 143 A C -0.801 176.858 177.584 0.124 0.000 1.075 143 A CA -0.874 51.236 52.037 0.121 0.000 0.714 143 A CB 1.981 21.049 19.000 0.115 0.000 1.299 143 A HN 0.916 nan 8.150 nan 0.000 0.407 144 M N 2.652 122.361 119.600 0.180 0.000 2.508 144 M HA 0.438 4.918 4.480 -0.000 0.000 0.327 144 M C -2.289 174.190 176.300 0.299 0.000 1.160 144 M CA -1.886 53.508 55.300 0.158 0.000 0.980 144 M CB 2.338 34.935 32.600 -0.006 0.000 1.693 144 M HN 0.540 nan 8.290 nan 0.000 0.452 145 P HA 0.264 nan 4.420 nan 0.000 0.273 145 P C -2.770 174.707 177.300 0.295 0.000 1.250 145 P CA -1.273 62.004 63.100 0.294 0.000 0.793 145 P CB -0.841 30.995 31.700 0.226 0.000 1.011 146 P HA 0.042 nan 4.420 nan 0.000 0.265 146 P C -0.185 177.007 177.300 -0.180 0.000 1.187 146 P CA 0.435 63.609 63.100 0.123 0.000 0.766 146 P CB 0.011 31.783 31.700 0.120 0.000 0.820 147 A N 5.365 127.864 122.820 -0.534 0.000 2.332 147 A HA 0.459 4.779 4.320 -0.000 0.000 0.258 147 A C -2.112 175.258 177.584 -0.356 0.000 1.087 147 A CA -1.388 50.198 52.037 -0.752 0.000 0.802 147 A CB -1.232 17.130 19.000 -1.064 0.000 1.042 147 A HN 0.407 nan 8.150 nan 0.000 0.489 148 P HA 0.176 nan 4.420 nan 0.000 0.266 148 P C -0.061 177.103 177.300 -0.227 0.000 1.193 148 P CA 0.085 63.025 63.100 -0.268 0.000 0.770 148 P CB 0.233 31.724 31.700 -0.347 0.000 0.836 149 V N 1.345 121.170 119.914 -0.147 0.000 3.134 149 V HA 0.234 4.354 4.120 -0.000 0.000 0.313 149 V C 1.548 177.594 176.094 -0.080 0.000 1.069 149 V CA -0.498 61.756 62.300 -0.076 0.000 1.048 149 V CB 0.308 32.124 31.823 -0.011 0.000 1.119 149 V HN 0.410 nan 8.190 nan 0.000 0.461 150 L N 1.236 122.448 121.223 -0.017 0.000 2.187 150 L HA -0.101 4.239 4.340 -0.000 0.000 0.213 150 L C 2.276 179.114 176.870 -0.055 0.000 1.100 150 L CA 2.022 56.827 54.840 -0.057 0.000 0.765 150 L CB -0.448 41.554 42.059 -0.094 0.000 0.904 150 L HN 1.072 nan 8.230 nan 0.000 0.437 151 T N -4.450 110.096 114.554 -0.013 0.000 3.186 151 T HA 0.139 4.489 4.350 -0.000 0.000 0.257 151 T C 0.643 175.325 174.700 -0.030 0.000 1.029 151 T CA -0.129 61.963 62.100 -0.013 0.000 0.916 151 T CB -0.118 68.767 68.868 0.029 0.000 1.041 151 T HN 0.234 nan 8.240 nan 0.000 0.562 152 S N 1.000 116.661 115.700 -0.065 0.000 2.646 152 S HA 0.478 4.948 4.470 -0.000 0.000 0.276 152 S C -1.976 172.563 174.600 -0.102 0.000 1.222 152 S CA -1.382 56.770 58.200 -0.079 0.000 1.014 152 S CB 1.677 64.803 63.200 -0.123 0.000 0.991 152 S HN -0.097 nan 8.310 nan 0.000 0.533 153 P HA -0.132 nan 4.420 nan 0.000 0.215 153 P C 1.424 178.596 177.300 -0.212 0.000 1.153 153 P CA 1.289 64.372 63.100 -0.029 0.000 0.853 153 P CB 0.056 31.829 31.700 0.121 0.000 0.788 154 E N -0.479 119.417 120.200 -0.506 0.000 2.058 154 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 154 E C 1.864 178.039 176.600 -0.708 0.000 0.997 154 E CA 0.943 56.602 56.400 -1.235 0.000 0.801 154 E CB -0.630 28.204 29.700 -1.443 0.000 0.746 154 E HN 0.013 nan 8.360 nan 0.000 0.450 155 L N 1.091 122.061 121.223 -0.422 0.000 2.141 155 L HA -0.125 4.215 4.340 -0.000 0.000 0.209 155 L C 2.137 178.920 176.870 -0.145 0.000 1.094 155 L CA 1.385 56.060 54.840 -0.275 0.000 0.763 155 L CB -0.572 41.342 42.059 -0.243 0.000 0.908 155 L HN 0.333 nan 8.230 nan 0.000 0.437 156 I N 0.391 120.884 120.570 -0.127 0.000 2.179 156 I HA -0.270 3.900 4.170 -0.000 0.000 0.242 156 I C 2.796 178.914 176.117 0.001 0.000 1.088 156 I CA 1.244 62.521 61.300 -0.039 0.000 1.357 156 I CB -0.503 37.479 38.000 -0.030 0.000 1.051 156 I HN 0.272 nan 8.210 nan 0.000 0.409 157 A N 0.327 123.099 122.820 -0.080 0.000 1.933 157 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 157 A C 2.221 179.851 177.584 0.076 0.000 1.175 157 A CA 1.625 53.661 52.037 -0.002 0.000 0.628 157 A CB -0.538 18.261 19.000 -0.334 0.000 0.814 157 A HN 0.450 nan 8.150 nan 0.000 0.444 158 E N -0.889 119.292 120.200 -0.032 0.000 2.072 158 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 158 E C 2.024 178.743 176.600 0.198 0.000 0.985 158 E CA 1.194 57.666 56.400 0.121 0.000 0.801 158 E CB -0.216 29.552 29.700 0.113 0.000 0.750 158 E HN 0.460 nan 8.360 nan 0.000 0.452 159 M N 0.309 120.013 119.600 0.173 0.000 2.132 159 M HA -0.058 4.422 4.480 -0.000 0.000 0.263 159 M C 2.452 178.916 176.300 0.274 0.000 1.065 159 M CA 1.068 56.489 55.300 0.201 0.000 1.122 159 M CB -1.054 31.678 32.600 0.220 0.000 1.365 159 M HN 0.089 nan 8.290 nan 0.000 0.411 160 A N 0.065 123.034 122.820 0.249 0.000 1.883 160 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 160 A C 2.162 179.902 177.584 0.259 0.000 1.186 160 A CA 2.131 54.318 52.037 0.250 0.000 0.624 160 A CB -0.859 18.261 19.000 0.199 0.000 0.822 160 A HN 0.603 nan 8.150 nan 0.000 0.444 161 E N -0.190 120.168 120.200 0.264 0.000 2.077 161 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 161 E C 1.936 178.630 176.600 0.156 0.000 0.989 161 E CA 1.137 57.705 56.400 0.280 0.000 0.800 161 E CB -0.209 29.689 29.700 0.331 0.000 0.746 161 E HN 0.642 nan 8.360 nan 0.000 0.452 162 L N -0.242 121.035 121.223 0.090 0.000 2.093 162 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 162 L C 2.334 179.161 176.870 -0.071 0.000 1.085 162 L CA 1.019 55.824 54.840 -0.059 0.000 0.755 162 L CB -0.501 41.471 42.059 -0.145 0.000 0.904 162 L HN 0.232 nan 8.230 nan 0.000 0.435 163 Y N 0.126 120.436 120.300 0.016 0.000 2.200 163 Y HA -0.202 4.348 4.550 -0.000 0.000 0.290 163 Y C 2.434 178.369 175.900 0.057 0.000 1.137 163 Y CA 1.244 59.357 58.100 0.021 0.000 1.163 163 Y CB -0.319 38.162 38.460 0.036 0.000 0.988 163 Y HN 0.046 nan 8.280 nan 0.000 0.518 164 L N -1.159 120.225 121.223 0.269 0.000 2.141 164 L HA -0.245 4.095 4.340 -0.000 0.000 0.209 164 L C 2.269 179.321 176.870 0.302 0.000 1.094 164 L CA 1.203 56.242 54.840 0.332 0.000 0.763 164 L CB -0.471 41.793 42.059 0.342 0.000 0.908 164 L HN 0.291 nan 8.230 nan 0.000 0.437 165 M N -0.785 118.780 119.600 -0.059 0.000 2.175 165 M HA -0.157 4.323 4.480 -0.000 0.000 0.264 165 M C 2.511 178.713 176.300 -0.165 0.000 1.063 165 M CA 1.713 56.783 55.300 -0.383 0.000 1.119 165 M CB -0.400 31.862 32.600 -0.564 0.000 1.377 165 M HN 0.316 nan 8.290 nan 0.000 0.415 166 A N 0.534 123.299 122.820 -0.092 0.000 1.877 166 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 166 A C 2.046 179.602 177.584 -0.048 0.000 1.186 166 A CA 1.394 53.380 52.037 -0.086 0.000 0.620 166 A CB -0.931 18.024 19.000 -0.075 0.000 0.822 166 A HN 0.456 nan 8.150 nan 0.000 0.443 167 L N -0.817 120.436 121.223 0.050 0.000 2.201 167 L HA -0.057 4.283 4.340 -0.000 0.000 0.212 167 L C 2.333 179.078 176.870 -0.208 0.000 1.105 167 L CA 0.848 55.708 54.840 0.032 0.000 0.775 167 L CB -0.356 41.855 42.059 0.253 0.000 0.913 167 L HN 0.490 nan 8.230 nan 0.000 0.440 168 G N -1.192 107.482 108.800 -0.209 0.000 3.233 168 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.227 168 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.227 168 G C 1.463 176.192 174.900 -0.285 0.000 1.175 168 G CA -0.379 44.431 45.100 -0.483 0.000 0.781 168 G HN 0.170 nan 8.290 nan 0.000 0.542 169 R N 0.307 120.679 120.500 -0.214 0.000 2.159 169 R HA -0.050 4.290 4.340 -0.000 0.000 0.237 169 R C 0.765 176.963 176.300 -0.170 0.000 1.131 169 R CA 1.241 57.236 56.100 -0.175 0.000 0.982 169 R CB 0.164 30.380 30.300 -0.139 0.000 0.868 169 R HN 0.198 nan 8.270 nan 0.000 0.453 170 D N -0.163 120.125 120.400 -0.186 0.000 2.388 170 D HA 0.112 4.752 4.640 -0.000 0.000 0.221 170 D C 0.009 176.213 176.300 -0.160 0.000 1.133 170 D CA 0.164 54.075 54.000 -0.149 0.000 0.831 170 D CB 0.398 41.124 40.800 -0.123 0.000 0.962 170 D HN 0.189 nan 8.370 nan 0.000 0.502 171 I N 1.411 121.857 120.570 -0.205 0.000 2.472 171 I HA 0.043 4.213 4.170 -0.000 0.000 0.290 171 I C 0.835 176.862 176.117 -0.149 0.000 1.016 171 I CA -0.355 60.845 61.300 -0.166 0.000 1.348 171 I CB 1.136 39.009 38.000 -0.211 0.000 1.417 171 I HN -0.304 nan 8.210 nan 0.000 0.521 172 E N 4.635 124.793 120.200 -0.069 0.000 2.313 172 E HA 0.094 4.444 4.350 -0.000 0.000 0.276 172 E C 0.162 176.729 176.600 -0.056 0.000 1.031 172 E CA -0.270 56.088 56.400 -0.071 0.000 0.857 172 E CB 0.876 30.584 29.700 0.013 0.000 1.040 172 E HN 0.410 nan 8.360 nan 0.000 0.408 173 F N 1.118 121.035 119.950 -0.055 0.000 2.120 173 F HA -0.213 4.314 4.527 -0.000 0.000 0.300 173 F C 2.325 177.947 175.800 -0.297 0.000 1.095 173 F CA 1.204 58.973 58.000 -0.384 0.000 1.249 173 F CB -0.229 38.553 39.000 -0.363 0.000 0.995 173 F HN 0.362 nan 8.300 nan 0.000 0.480 174 S N -1.016 114.729 115.700 0.076 0.000 2.603 174 S HA -0.067 4.403 4.470 -0.000 0.000 0.229 174 S C 1.099 175.751 174.600 0.086 0.000 0.972 174 S CA 0.562 58.801 58.200 0.065 0.000 0.935 174 S CB -0.396 62.850 63.200 0.077 0.000 0.769 174 S HN 0.437 nan 8.310 nan 0.000 0.536 175 E N -0.479 119.797 120.200 0.127 0.000 2.734 175 E HA 0.190 4.540 4.350 -0.000 0.000 0.211 175 E C 0.086 176.841 176.600 0.258 0.000 0.991 175 E CA -0.186 56.303 56.400 0.150 0.000 1.065 175 E CB 0.211 29.969 29.700 0.097 0.000 1.047 175 E HN 0.284 nan 8.360 nan 0.000 0.470 176 F N 1.284 121.251 119.950 0.029 0.000 2.171 176 F HA -0.117 4.410 4.527 -0.000 0.000 0.300 176 F C 1.886 177.701 175.800 0.023 0.000 1.090 176 F CA 1.135 59.150 58.000 0.025 0.000 1.293 176 F CB 0.103 39.131 39.000 0.046 0.000 1.013 176 F HN 0.034 nan 8.300 nan 0.000 0.486 177 D N -0.404 120.134 120.400 0.230 0.000 2.358 177 D HA 0.028 4.668 4.640 -0.000 0.000 0.224 177 D C 0.386 176.737 176.300 0.086 0.000 1.123 177 D CA 0.119 54.194 54.000 0.126 0.000 0.833 177 D CB -0.012 40.855 40.800 0.111 0.000 0.946 177 D HN 0.035 nan 8.370 nan 0.000 0.505 178 S N 0.074 115.828 115.700 0.090 0.000 2.562 178 S HA 0.286 4.756 4.470 -0.000 0.000 0.275 178 S C -1.594 173.032 174.600 0.044 0.000 1.281 178 S CA -1.228 57.009 58.200 0.061 0.000 1.045 178 S CB 1.841 65.079 63.200 0.062 0.000 0.962 178 S HN -0.192 nan 8.310 nan 0.000 0.503 179 P HA -0.168 nan 4.420 nan 0.000 0.217 179 P C 1.147 178.459 177.300 0.020 0.000 1.148 179 P CA 1.404 64.517 63.100 0.022 0.000 0.828 179 P CB -0.045 31.666 31.700 0.017 0.000 0.783 180 K N -1.188 119.225 120.400 0.021 0.000 2.209 180 K HA -0.088 4.232 4.320 -0.000 0.000 0.204 180 K C 1.072 177.684 176.600 0.019 0.000 1.048 180 K CA 1.400 57.697 56.287 0.016 0.000 0.940 180 K CB -0.567 31.940 32.500 0.011 0.000 0.729 180 K HN 0.091 nan 8.250 nan 0.000 0.451 181 N N 0.542 119.259 118.700 0.028 0.000 2.236 181 N HA 0.146 4.886 4.740 -0.000 0.000 0.196 181 N C 1.305 176.848 175.510 0.055 0.000 1.114 181 N CA 0.586 53.659 53.050 0.039 0.000 0.859 181 N CB 0.757 39.262 38.487 0.029 0.000 0.982 181 N HN 0.311 nan 8.380 nan 0.000 0.493 182 A N 1.323 124.161 122.820 0.031 0.000 1.917 182 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 182 A C 2.351 179.937 177.584 0.003 0.000 1.182 182 A CA 2.080 54.123 52.037 0.010 0.000 0.633 182 A CB -0.680 18.322 19.000 0.004 0.000 0.819 182 A HN 0.287 nan 8.150 nan 0.000 0.448 183 A N -1.389 121.443 122.820 0.020 0.000 1.877 183 A HA -0.049 4.271 4.320 -0.000 0.000 0.216 183 A C 2.097 179.684 177.584 0.006 0.000 1.186 183 A CA 1.680 53.722 52.037 0.008 0.000 0.620 183 A CB -0.713 18.301 19.000 0.023 0.000 0.822 183 A HN 0.718 nan 8.150 nan 0.000 0.443 184 F N 0.682 120.589 119.950 -0.071 0.000 2.084 184 F HA -0.139 4.388 4.527 -0.000 0.000 0.296 184 F C 2.043 177.768 175.800 -0.124 0.000 1.111 184 F CA 1.556 59.505 58.000 -0.085 0.000 1.224 184 F CB -0.090 38.860 39.000 -0.083 0.000 0.991 184 F HN 0.124 nan 8.300 nan 0.000 0.471 185 I N 0.736 121.281 120.570 -0.041 0.000 2.127 185 I HA -0.276 3.894 4.170 -0.000 0.000 0.241 185 I C 2.480 178.439 176.117 -0.263 0.000 1.075 185 I CA 1.428 62.613 61.300 -0.192 0.000 1.334 185 I CB -1.317 36.607 38.000 -0.126 0.000 1.040 185 I HN 0.201 nan 8.210 nan 0.000 0.405 186 R N 0.635 121.029 120.500 -0.176 0.000 2.081 186 R HA -0.130 4.210 4.340 -0.000 0.000 0.235 186 R C 2.420 178.603 176.300 -0.195 0.000 1.131 186 R CA 1.686 57.692 56.100 -0.157 0.000 0.960 186 R CB -1.074 29.166 30.300 -0.100 0.000 0.856 186 R HN 0.476 nan 8.270 nan 0.000 0.436 187 S N 0.702 116.265 115.700 -0.228 0.000 2.402 187 S HA -0.056 4.414 4.470 -0.000 0.000 0.229 187 S C 2.119 176.530 174.600 -0.315 0.000 1.021 187 S CA 1.068 59.125 58.200 -0.240 0.000 0.974 187 S CB -0.003 63.066 63.200 -0.219 0.000 0.800 187 S HN 0.350 nan 8.310 nan 0.000 0.484 188 A N 1.686 124.225 122.820 -0.469 0.000 1.873 188 A HA 0.149 4.469 4.320 -0.000 0.000 0.215 188 A C 2.215 179.606 177.584 -0.321 0.000 1.186 188 A CA 1.342 53.102 52.037 -0.462 0.000 0.616 188 A CB -0.749 17.891 19.000 -0.601 0.000 0.823 188 A HN 0.615 nan 8.150 nan 0.000 0.442 189 I N -0.755 119.629 120.570 -0.309 0.000 2.252 189 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 189 I C 2.572 178.569 176.117 -0.201 0.000 1.102 189 I CA 1.713 62.857 61.300 -0.260 0.000 1.385 189 I CB -0.303 37.563 38.000 -0.223 0.000 1.064 189 I HN 0.506 nan 8.210 nan 0.000 0.414 190 E N 1.091 121.189 120.200 -0.170 0.000 2.106 190 E HA -0.202 4.148 4.350 -0.000 0.000 0.192 190 E C 2.321 178.857 176.600 -0.106 0.000 0.984 190 E CA 0.983 57.309 56.400 -0.123 0.000 0.806 190 E CB 0.150 29.785 29.700 -0.110 0.000 0.750 190 E HN 0.387 nan 8.360 nan 0.000 0.458 191 R N -0.216 120.209 120.500 -0.124 0.000 2.119 191 R HA 0.028 4.368 4.340 -0.000 0.000 0.222 191 R C 2.442 178.713 176.300 -0.047 0.000 1.088 191 R CA 0.497 56.548 56.100 -0.082 0.000 0.984 191 R CB 0.015 30.259 30.300 -0.094 0.000 0.884 191 R HN 0.228 nan 8.270 nan 0.000 0.447 192 L N 0.658 121.822 121.223 -0.098 0.000 2.072 192 L HA -0.115 4.225 4.340 -0.000 0.000 0.205 192 L C 1.515 178.352 176.870 -0.056 0.000 1.079 192 L CA 0.916 55.691 54.840 -0.109 0.000 0.752 192 L CB -0.329 41.498 42.059 -0.387 0.000 0.906 192 L HN 0.156 nan 8.230 nan 0.000 0.436 193 N N 0.369 119.004 118.700 -0.109 0.000 2.550 193 N HA -0.071 4.668 4.740 -0.000 0.000 0.186 193 N C 1.619 177.144 175.510 0.026 0.000 1.110 193 N CA 1.009 54.038 53.050 -0.035 0.000 0.912 193 N CB -0.073 38.369 38.487 -0.075 0.000 0.968 193 N HN 0.308 nan 8.380 nan 0.000 0.448 194 G N -0.408 108.408 108.800 0.026 0.000 2.985 194 G HA2 0.134 4.094 3.960 -0.000 0.000 0.209 194 G HA3 0.134 4.094 3.960 -0.000 0.000 0.209 194 G C 0.367 175.310 174.900 0.072 0.000 1.165 194 G CA -0.126 44.992 45.100 0.030 0.000 0.776 194 G HN 0.148 nan 8.290 nan 0.000 0.541 195 L N 0.299 121.612 121.223 0.150 0.000 2.307 195 L HA 0.301 4.641 4.340 -0.000 0.000 0.282 195 L C 1.527 178.503 176.870 0.177 0.000 1.051 195 L CA -0.558 54.389 54.840 0.178 0.000 0.804 195 L CB 1.995 44.213 42.059 0.266 0.000 1.197 195 L HN 0.168 nan 8.230 nan 0.000 0.431 196 E N 3.297 123.567 120.200 0.116 0.000 2.130 196 E HA -0.258 4.092 4.350 -0.000 0.000 0.196 196 E C 1.722 178.371 176.600 0.080 0.000 0.998 196 E CA 1.796 58.246 56.400 0.084 0.000 0.806 196 E CB 0.035 29.778 29.700 0.072 0.000 0.738 196 E HN 0.789 nan 8.360 nan 0.000 0.459 197 W N 0.243 121.460 121.300 -0.138 0.000 2.318 197 W HA -0.276 4.384 4.660 -0.000 0.000 0.313 197 W C 1.434 177.775 176.519 -0.296 0.000 1.221 197 W CA 1.411 58.584 57.345 -0.287 0.000 1.266 197 W CB -0.374 28.788 29.460 -0.496 0.000 1.150 197 W HN 0.148 nan 8.180 nan 0.000 0.496 198 F N 1.215 121.189 119.950 0.040 0.000 2.335 198 F HA -0.115 4.412 4.527 -0.000 0.000 0.296 198 F C 2.075 177.814 175.800 -0.101 0.000 1.091 198 F CA 1.553 59.505 58.000 -0.080 0.000 1.399 198 F CB -1.123 37.880 39.000 0.006 0.000 1.067 198 F HN -0.041 nan 8.300 nan 0.000 0.520 199 N N -1.211 117.559 118.700 0.117 0.000 2.336 199 N HA 0.025 4.765 4.740 -0.000 0.000 0.189 199 N C -0.437 175.065 175.510 -0.013 0.000 1.113 199 N CA 0.355 53.431 53.050 0.045 0.000 0.858 199 N CB -0.282 38.234 38.487 0.049 0.000 0.970 199 N HN -0.070 nan 8.380 nan 0.000 0.471 200 T N 1.837 116.357 114.554 -0.057 0.000 2.921 200 T HA 0.444 4.794 4.350 -0.000 0.000 0.297 200 T C -2.929 171.679 174.700 -0.153 0.000 1.013 200 T CA -1.211 60.842 62.100 -0.080 0.000 0.990 200 T CB 2.773 71.608 68.868 -0.056 0.000 1.023 200 T HN 0.003 nan 8.240 nan 0.000 0.447 201 P HA 0.471 nan 4.420 nan 0.000 0.276 201 P C -0.392 176.796 177.300 -0.187 0.000 1.261 201 P CA -0.542 62.453 63.100 -0.175 0.000 0.800 201 P CB 0.433 32.065 31.700 -0.115 0.000 1.066 202 A N 1.716 124.406 122.820 -0.216 0.000 2.409 202 A HA 0.201 4.520 4.320 -0.000 0.000 0.246 202 A C 0.298 177.827 177.584 -0.092 0.000 1.099 202 A CA 0.322 52.258 52.037 -0.167 0.000 0.789 202 A CB -0.316 18.593 19.000 -0.152 0.000 1.053 202 A HN 0.515 nan 8.150 nan 0.000 0.503 203 K N -0.424 119.942 120.400 -0.057 0.000 2.328 203 K HA 0.470 4.790 4.320 -0.000 0.000 0.246 203 K C -1.020 175.568 176.600 -0.021 0.000 0.955 203 K CA -0.907 55.359 56.287 -0.034 0.000 0.817 203 K CB 1.883 34.370 32.500 -0.022 0.000 1.208 203 K HN 0.512 nan 8.250 nan 0.000 0.432 204 L N 1.621 122.834 121.223 -0.016 0.000 2.559 204 L HA 0.118 4.458 4.340 -0.000 0.000 0.274 204 L C 0.966 177.833 176.870 -0.004 0.000 1.205 204 L CA 2.020 56.855 54.840 -0.009 0.000 0.907 204 L CB -0.012 42.042 42.059 -0.008 0.000 1.153 204 L HN 0.975 nan 8.230 nan 0.000 0.490 205 G N 2.515 111.315 108.800 0.000 0.000 2.307 205 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.210 205 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.210 205 G C 0.139 175.043 174.900 0.007 0.000 1.005 205 G CA -0.008 45.093 45.100 0.002 0.000 0.634 205 G HN 0.630 nan 8.290 nan 0.000 0.496 206 D N 2.906 123.313 120.400 0.010 0.000 2.400 206 D HA 0.452 5.092 4.640 -0.000 0.000 0.238 206 D C -2.022 174.297 176.300 0.031 0.000 1.157 206 D CA -0.662 53.353 54.000 0.024 0.000 0.889 206 D CB 0.575 41.390 40.800 0.025 0.000 1.199 206 D HN 0.158 nan 8.370 nan 0.000 0.436 207 P HA 0.069 nan 4.420 nan 0.000 0.264 207 P C -1.956 175.384 177.300 0.067 0.000 1.193 207 P CA -0.958 62.172 63.100 0.050 0.000 0.763 207 P CB 0.116 31.851 31.700 0.059 0.000 0.810 208 P HA -0.216 nan 4.420 nan 0.000 0.217 208 P C 1.211 178.578 177.300 0.111 0.000 1.148 208 P CA 1.755 64.901 63.100 0.077 0.000 0.828 208 P CB -0.259 31.485 31.700 0.073 0.000 0.783 209 A N -0.219 122.681 122.820 0.133 0.000 1.930 209 A HA -0.193 4.126 4.320 -0.000 0.000 0.217 209 A C 2.218 179.926 177.584 0.208 0.000 1.175 209 A CA 1.376 53.523 52.037 0.184 0.000 0.627 209 A CB -1.005 18.107 19.000 0.187 0.000 0.815 209 A HN 0.154 nan 8.150 nan 0.000 0.443 210 E N -0.294 120.016 120.200 0.183 0.000 2.047 210 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 210 E C 1.886 178.579 176.600 0.154 0.000 0.987 210 E CA 1.227 57.766 56.400 0.231 0.000 0.799 210 E CB -0.276 29.561 29.700 0.229 0.000 0.752 210 E HN 0.689 nan 8.360 nan 0.000 0.449 211 I N 0.746 121.365 120.570 0.082 0.000 2.208 211 I HA -0.315 3.855 4.170 -0.000 0.000 0.245 211 I C 2.739 178.867 176.117 0.018 0.000 1.097 211 I CA 1.165 62.472 61.300 0.012 0.000 1.363 211 I CB -0.249 37.760 38.000 0.014 0.000 1.051 211 I HN 0.035 nan 8.210 nan 0.000 0.413 212 R N 1.483 122.034 120.500 0.084 0.000 2.096 212 R HA -0.162 4.178 4.340 -0.000 0.000 0.235 212 R C 2.208 178.514 176.300 0.011 0.000 1.127 212 R CA 1.534 57.694 56.100 0.101 0.000 0.968 212 R CB -0.062 30.369 30.300 0.218 0.000 0.861 212 R HN 0.438 nan 8.270 nan 0.000 0.440 213 R N -0.357 120.169 120.500 0.043 0.000 2.334 213 R HA 0.135 4.475 4.340 -0.000 0.000 0.216 213 R C 0.333 176.682 176.300 0.080 0.000 0.905 213 R CA -0.335 55.721 56.100 -0.073 0.000 1.064 213 R CB -0.003 30.374 30.300 0.128 0.000 1.046 213 R HN -0.094 nan 8.270 nan 0.000 0.508 214 R N 1.904 122.397 120.500 -0.012 0.000 2.442 214 R HA 0.138 4.478 4.340 -0.000 0.000 0.291 214 R C -0.610 175.499 176.300 -0.319 0.000 1.069 214 R CA -0.049 55.863 56.100 -0.313 0.000 1.022 214 R CB 0.649 30.522 30.300 -0.713 0.000 0.976 214 R HN 0.153 nan 8.270 nan 0.000 0.443 215 R N 1.860 122.147 120.500 -0.356 0.000 2.598 215 R HA 0.363 4.702 4.340 -0.000 0.000 0.279 215 R C 0.232 176.472 176.300 -0.101 0.000 0.984 215 R CA -0.469 55.547 56.100 -0.141 0.000 0.999 215 R CB 1.918 32.242 30.300 0.041 0.000 1.114 215 R HN 0.814 nan 8.270 nan 0.000 0.493 216 G N 0.175 108.966 108.800 -0.014 0.000 2.574 216 G HA2 0.042 4.002 3.960 -0.000 0.000 0.248 216 G HA3 0.042 4.002 3.960 -0.000 0.000 0.248 216 G C -0.684 174.267 174.900 0.084 0.000 1.422 216 G CA -0.451 44.649 45.100 0.000 0.000 1.051 216 G HN 0.604 nan 8.290 nan 0.000 0.560 217 E N -0.876 119.334 120.200 0.018 0.000 2.608 217 E HA 0.089 4.439 4.350 -0.000 0.000 0.259 217 E C -0.276 176.275 176.600 -0.083 0.000 0.951 217 E CA -0.189 56.197 56.400 -0.024 0.000 0.945 217 E CB 0.425 30.106 29.700 -0.032 0.000 0.916 217 E HN 0.035 nan 8.360 nan 0.000 0.477 218 V N 4.938 124.741 119.914 -0.185 0.000 2.498 218 V HA 0.212 4.332 4.120 -0.000 0.000 0.279 218 V C 0.621 176.617 176.094 -0.164 0.000 1.048 218 V CA -0.024 62.129 62.300 -0.245 0.000 0.967 218 V CB 1.034 32.592 31.823 -0.441 0.000 0.988 218 V HN 0.858 nan 8.190 nan 0.000 0.473 219 T N 0.898 115.381 114.554 -0.120 0.000 2.888 219 T HA 0.483 4.833 4.350 -0.000 0.000 0.288 219 T C 0.814 175.472 174.700 -0.070 0.000 1.063 219 T CA -0.553 61.498 62.100 -0.082 0.000 1.010 219 T CB 1.611 70.455 68.868 -0.040 0.000 1.214 219 T HN 0.063 nan 8.240 nan 0.000 0.533 220 V N 0.967 120.859 119.914 -0.037 0.000 2.490 220 V HA 0.049 4.169 4.120 -0.000 0.000 0.250 220 V C 2.751 178.910 176.094 0.109 0.000 1.061 220 V CA 2.254 64.566 62.300 0.019 0.000 1.064 220 V CB -1.300 30.552 31.823 0.048 0.000 0.670 220 V HN 1.095 nan 8.190 nan 0.000 0.461 221 G N 1.003 109.846 108.800 0.071 0.000 2.572 221 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.216 221 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.216 221 G C 1.060 176.008 174.900 0.080 0.000 1.133 221 G CA 0.813 45.961 45.100 0.080 0.000 0.791 221 G HN 0.730 nan 8.290 nan 0.000 0.538 222 N N -0.952 117.787 118.700 0.064 0.000 2.159 222 N HA 0.163 4.903 4.740 -0.000 0.000 0.217 222 N C 0.440 176.013 175.510 0.106 0.000 1.223 222 N CA -0.606 52.487 53.050 0.072 0.000 0.896 222 N CB -0.154 38.351 38.487 0.030 0.000 1.064 222 N HN 0.104 nan 8.380 nan 0.000 0.518 223 L N 1.608 122.875 121.223 0.072 0.000 2.584 223 L HA 0.127 4.467 4.340 -0.000 0.000 0.272 223 L C -0.300 176.718 176.870 0.247 0.000 1.195 223 L CA 0.691 55.491 54.840 -0.066 0.000 0.920 223 L CB -0.880 40.973 42.059 -0.342 0.000 1.173 223 L HN 0.247 nan 8.230 nan 0.000 0.489 224 F N 3.011 123.129 119.950 0.280 0.000 3.034 224 F HA -0.266 4.261 4.527 -0.000 0.000 0.286 224 F C 0.928 177.028 175.800 0.499 0.000 0.804 224 F CA 0.685 58.913 58.000 0.380 0.000 1.161 224 F CB -1.983 37.262 39.000 0.409 0.000 1.317 224 F HN 0.607 nan 8.300 nan 0.000 0.453 225 R N -0.185 120.619 120.500 0.505 0.000 2.573 225 R HA 0.692 5.031 4.340 -0.000 0.000 0.272 225 R C 0.986 177.458 176.300 0.286 0.000 1.009 225 R CA -0.106 56.157 56.100 0.272 0.000 1.059 225 R CB 1.053 31.408 30.300 0.093 0.000 1.112 225 R HN 0.156 nan 8.270 nan 0.000 0.517 226 G N 0.293 109.214 108.800 0.202 0.000 2.537 226 G HA2 0.396 4.356 3.960 -0.000 0.000 0.297 226 G HA3 0.396 4.356 3.960 -0.000 0.000 0.297 226 G C 0.620 175.647 174.900 0.212 0.000 1.310 226 G CA -0.677 44.596 45.100 0.288 0.000 1.027 226 G HN 0.710 nan 8.290 nan 0.000 0.505 227 I N -2.076 118.628 120.570 0.224 0.000 3.936 227 I HA 0.417 4.587 4.170 -0.000 0.000 0.330 227 I C -0.065 176.127 176.117 0.125 0.000 1.509 227 I CA -0.454 60.928 61.300 0.138 0.000 1.126 227 I CB -0.072 37.984 38.000 0.094 0.000 1.115 227 I HN 0.027 nan 8.210 nan 0.000 0.424 228 L N 3.329 124.614 121.223 0.103 0.000 2.483 228 L HA 0.270 4.610 4.340 -0.000 0.000 0.276 228 L C -1.938 174.989 176.870 0.095 0.000 1.213 228 L CA -1.483 53.403 54.840 0.077 0.000 0.843 228 L CB -0.280 41.753 42.059 -0.045 0.000 1.107 228 L HN -0.029 nan 8.230 nan 0.000 0.487 229 P HA 0.047 nan 4.420 nan 0.000 0.263 229 P C 0.758 178.114 177.300 0.092 0.000 1.195 229 P CA 0.745 63.913 63.100 0.113 0.000 0.762 229 P CB 0.874 32.656 31.700 0.137 0.000 0.799 230 G N 2.556 111.387 108.800 0.052 0.000 2.284 230 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.216 230 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.216 230 G C 1.454 176.335 174.900 -0.031 0.000 1.009 230 G CA 0.344 45.458 45.100 0.023 0.000 0.625 230 G HN 0.429 nan 8.290 nan 0.000 0.501 231 S N 0.541 116.225 115.700 -0.028 0.000 2.423 231 S HA 0.041 4.511 4.470 -0.000 0.000 0.231 231 S C 1.553 176.078 174.600 -0.125 0.000 1.014 231 S CA 1.538 59.684 58.200 -0.090 0.000 0.965 231 S CB -0.102 63.058 63.200 -0.065 0.000 0.785 231 S HN 0.677 nan 8.310 nan 0.000 0.495 232 E N 0.624 120.779 120.200 -0.075 0.000 2.463 232 E HA 0.130 4.480 4.350 -0.000 0.000 0.193 232 E C -0.768 175.772 176.600 -0.101 0.000 1.041 232 E CA -0.082 56.276 56.400 -0.070 0.000 0.879 232 E CB 0.593 30.283 29.700 -0.018 0.000 0.997 232 E HN 0.158 nan 8.360 nan 0.000 0.478 233 V N 0.865 120.686 119.914 -0.154 0.000 2.398 233 V HA 0.546 4.666 4.120 -0.000 0.000 0.286 233 V C 0.690 176.475 176.094 -0.514 0.000 1.026 233 V CA 0.035 62.185 62.300 -0.250 0.000 0.868 233 V CB 0.918 32.651 31.823 -0.149 0.000 0.982 233 V HN 0.467 nan 8.190 nan 0.000 0.443 234 G N 7.100 115.376 108.800 -0.874 0.000 2.642 234 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.231 234 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.231 234 G C -2.833 171.789 174.900 -0.463 0.000 1.338 234 G CA -0.666 43.752 45.100 -1.136 0.000 0.883 234 G HN 0.673 nan 8.290 nan 0.000 0.570 235 P HA 0.253 nan 4.420 nan 0.000 0.270 235 P C 0.539 177.739 177.300 -0.166 0.000 1.223 235 P CA -0.059 62.944 63.100 -0.162 0.000 0.785 235 P CB 0.272 31.908 31.700 -0.106 0.000 0.923 236 Y N 2.180 122.347 120.300 -0.222 0.000 2.070 236 Y HA -0.116 4.434 4.550 -0.000 0.000 0.280 236 Y C 0.775 176.494 175.900 -0.302 0.000 1.148 236 Y CA 1.493 59.441 58.100 -0.255 0.000 1.125 236 Y CB -0.415 37.840 38.460 -0.343 0.000 0.975 236 Y HN 0.134 nan 8.280 nan 0.000 0.492 237 L N 0.961 122.105 121.223 -0.132 0.000 2.331 237 L HA 0.112 4.452 4.340 -0.000 0.000 0.278 237 L C 0.756 177.517 176.870 -0.182 0.000 1.106 237 L CA -0.259 54.465 54.840 -0.192 0.000 0.824 237 L CB 0.809 42.734 42.059 -0.223 0.000 1.142 237 L HN 0.059 nan 8.230 nan 0.000 0.443 238 S N 1.919 117.512 115.700 -0.178 0.000 2.558 238 S HA -0.055 4.415 4.470 -0.000 0.000 0.291 238 S C 1.194 175.684 174.600 -0.184 0.000 1.306 238 S CA -0.485 57.621 58.200 -0.157 0.000 1.056 238 S CB 0.752 63.916 63.200 -0.060 0.000 0.836 238 S HN 0.629 nan 8.310 nan 0.000 0.504 239 Q N 3.138 122.759 119.800 -0.298 0.000 2.152 239 Q HA -0.134 4.206 4.340 -0.000 0.000 0.206 239 Q C 1.487 177.341 176.000 -0.243 0.000 0.985 239 Q CA 1.831 57.453 55.803 -0.302 0.000 0.863 239 Q CB -0.478 27.985 28.738 -0.458 0.000 0.904 239 Q HN 0.907 nan 8.270 nan 0.000 0.422 240 F N -0.493 119.441 119.950 -0.026 0.000 2.699 240 F HA 0.009 4.536 4.527 -0.000 0.000 0.298 240 F C 1.977 177.731 175.800 -0.076 0.000 1.154 240 F CA 0.193 58.168 58.000 -0.042 0.000 1.457 240 F CB -0.254 38.721 39.000 -0.040 0.000 1.106 240 F HN 0.038 nan 8.300 nan 0.000 0.585 241 I N -0.040 120.535 120.570 0.009 0.000 3.956 241 I HA 0.053 4.223 4.170 -0.000 0.000 0.333 241 I C 1.406 177.494 176.117 -0.048 0.000 1.302 241 I CA 0.384 61.625 61.300 -0.100 0.000 1.122 241 I CB 0.087 37.895 38.000 -0.320 0.000 1.013 241 I HN 0.095 nan 8.210 nan 0.000 0.405 242 I N -2.463 118.097 120.570 -0.018 0.000 4.398 242 I HA 0.219 4.389 4.170 -0.000 0.000 0.310 242 I C 0.657 176.771 176.117 -0.004 0.000 1.232 242 I CA -0.224 61.077 61.300 0.001 0.000 1.312 242 I CB -0.068 37.932 38.000 0.001 0.000 1.347 242 I HN -0.185 nan 8.210 nan 0.000 0.454 243 V N 1.428 121.335 119.914 -0.012 0.000 3.133 243 V HA 0.811 4.931 4.120 -0.000 0.000 0.305 243 V C 0.825 176.893 176.094 -0.043 0.000 1.084 243 V CA 0.103 62.368 62.300 -0.057 0.000 1.089 243 V CB 0.482 32.279 31.823 -0.043 0.000 1.073 243 V HN 0.241 nan 8.190 nan 0.000 0.477 244 G N 1.599 110.330 108.800 -0.116 0.000 2.606 244 G HA2 0.679 4.639 3.960 -0.000 0.000 0.262 244 G HA3 0.679 4.639 3.960 -0.000 0.000 0.262 244 G C -0.141 174.696 174.900 -0.105 0.000 1.394 244 G CA -0.053 44.986 45.100 -0.101 0.000 1.044 244 G HN 1.601 nan 8.290 nan 0.000 0.553 245 S N -1.726 113.913 115.700 -0.102 0.000 2.704 245 S HA 0.556 5.026 4.470 -0.000 0.000 0.296 245 S C -0.372 174.158 174.600 -0.116 0.000 1.138 245 S CA -0.828 57.325 58.200 -0.079 0.000 0.875 245 S CB 1.784 64.977 63.200 -0.011 0.000 1.151 245 S HN 0.598 nan 8.310 nan 0.000 0.500 246 K N 0.722 121.080 120.400 -0.069 0.000 2.518 246 K HA 0.066 4.386 4.320 -0.000 0.000 0.276 246 K C -0.275 176.303 176.600 -0.036 0.000 0.974 246 K CA 0.289 56.544 56.287 -0.054 0.000 0.986 246 K CB 0.230 32.729 32.500 -0.002 0.000 0.901 246 K HN 0.541 nan 8.250 nan 0.000 0.497 247 Q N 2.300 122.081 119.800 -0.032 0.000 2.241 247 Q HA 0.310 4.650 4.340 -0.000 0.000 0.262 247 Q C 0.058 176.061 176.000 0.005 0.000 1.014 247 Q CA -0.975 54.820 55.803 -0.013 0.000 0.885 247 Q CB 1.144 29.869 28.738 -0.021 0.000 1.311 247 Q HN 0.475 nan 8.270 nan 0.000 0.461 248 I N 1.093 121.670 120.570 0.011 0.000 2.752 248 I HA 0.004 4.174 4.170 -0.000 0.000 0.289 248 I C 1.450 177.575 176.117 0.013 0.000 1.197 248 I CA 1.652 62.960 61.300 0.014 0.000 1.432 248 I CB -0.552 37.456 38.000 0.013 0.000 1.359 248 I HN 0.999 nan 8.210 nan 0.000 0.571 249 G N 4.857 113.666 108.800 0.015 0.000 2.284 249 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.216 249 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.216 249 G C 0.405 175.318 174.900 0.021 0.000 1.009 249 G CA -0.087 45.023 45.100 0.016 0.000 0.625 249 G HN 0.545 nan 8.290 nan 0.000 0.501 250 S N 1.447 117.161 115.700 0.023 0.000 2.439 250 S HA 0.759 5.229 4.470 -0.000 0.000 0.282 250 S C 0.314 174.932 174.600 0.030 0.000 1.170 250 S CA 0.582 58.799 58.200 0.029 0.000 1.054 250 S CB 1.226 64.446 63.200 0.033 0.000 0.956 250 S HN 1.704 nan 8.310 nan 0.000 0.490 251 A N 3.151 125.989 122.820 0.030 0.000 2.612 251 A HA 0.735 5.055 4.320 -0.000 0.000 0.293 251 A C -0.627 176.975 177.584 0.029 0.000 1.075 251 A CA -0.833 51.221 52.037 0.029 0.000 0.680 251 A CB 1.277 20.291 19.000 0.023 0.000 1.279 251 A HN 0.476 nan 8.150 nan 0.000 0.411 252 T N 1.502 116.073 114.554 0.029 0.000 2.756 252 T HA 0.514 4.864 4.350 -0.000 0.000 0.290 252 T C -0.705 174.009 174.700 0.023 0.000 0.985 252 T CA -0.194 61.922 62.100 0.028 0.000 0.955 252 T CB 0.767 69.654 68.868 0.032 0.000 0.930 252 T HN 0.613 nan 8.240 nan 0.000 0.451 253 V N 4.268 124.194 119.914 0.020 0.000 2.294 253 V HA 0.616 4.736 4.120 -0.000 0.000 0.272 253 V C 1.226 177.329 176.094 0.016 0.000 1.027 253 V CA 0.096 62.406 62.300 0.016 0.000 0.823 253 V CB 0.046 31.877 31.823 0.014 0.000 1.030 253 V HN 1.203 nan 8.190 nan 0.000 0.457 254 G N 5.825 114.635 108.800 0.016 0.000 2.596 254 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.304 254 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.304 254 G C 0.683 175.593 174.900 0.017 0.000 1.189 254 G CA 0.834 45.944 45.100 0.015 0.000 0.986 254 G HN 1.064 nan 8.290 nan 0.000 0.548 255 N N 1.002 119.712 118.700 0.016 0.000 2.270 255 N HA 0.141 4.880 4.740 -0.000 0.000 0.198 255 N C 0.535 176.055 175.510 0.018 0.000 1.117 255 N CA 1.175 54.235 53.050 0.017 0.000 0.845 255 N CB 0.431 38.927 38.487 0.015 0.000 0.980 255 N HN 0.805 nan 8.380 nan 0.000 0.486 256 K N 0.341 120.751 120.400 0.017 0.000 2.185 256 K HA 0.290 4.610 4.320 -0.000 0.000 0.269 256 K C -0.986 175.626 176.600 0.021 0.000 0.987 256 K CA -0.373 55.925 56.287 0.018 0.000 0.865 256 K CB 0.884 33.394 32.500 0.016 0.000 1.090 256 K HN -0.084 nan 8.250 nan 0.000 0.450 257 T N 5.221 119.789 114.554 0.024 0.000 2.749 257 T HA 0.354 4.704 4.350 -0.000 0.000 0.287 257 T C -0.328 174.388 174.700 0.027 0.000 0.970 257 T CA -0.537 61.580 62.100 0.028 0.000 0.980 257 T CB 0.314 69.201 68.868 0.032 0.000 0.924 257 T HN 0.398 nan 8.240 nan 0.000 0.456 258 L N 3.385 124.624 121.223 0.028 0.000 2.325 258 L HA 0.692 5.032 4.340 -0.000 0.000 0.278 258 L C -0.433 176.456 176.870 0.032 0.000 1.023 258 L CA -1.214 53.642 54.840 0.026 0.000 0.811 258 L CB 1.805 43.877 42.059 0.022 0.000 1.249 258 L HN 0.289 nan 8.230 nan 0.000 0.431 259 V N 1.346 121.280 119.914 0.032 0.000 2.459 259 V HA 0.239 4.359 4.120 -0.000 0.000 0.295 259 V C 0.337 176.450 176.094 0.033 0.000 1.029 259 V CA -0.481 61.842 62.300 0.038 0.000 0.874 259 V CB 1.752 33.601 31.823 0.045 0.000 0.985 259 V HN 0.851 nan 8.190 nan 0.000 0.438 260 S N 6.089 121.808 115.700 0.033 0.000 2.562 260 S HA 0.226 4.696 4.470 -0.000 0.000 0.281 260 S C -1.117 173.499 174.600 0.028 0.000 1.333 260 S CA -0.847 57.368 58.200 0.025 0.000 1.052 260 S CB 1.004 64.215 63.200 0.018 0.000 0.884 260 S HN 0.673 nan 8.310 nan 0.000 0.506 261 P HA 0.025 nan 4.420 nan 0.000 0.230 261 P C -0.012 177.303 177.300 0.024 0.000 1.158 261 P CA 0.807 63.921 63.100 0.024 0.000 0.769 261 P CB -0.032 31.679 31.700 0.019 0.000 0.807 262 N N -0.742 117.970 118.700 0.020 0.000 2.275 262 N HA 0.191 4.931 4.740 -0.000 0.000 0.236 262 N C 1.206 176.721 175.510 0.009 0.000 1.154 262 N CA 0.045 53.104 53.050 0.015 0.000 0.866 262 N CB 0.383 38.874 38.487 0.007 0.000 1.093 262 N HN 0.020 nan 8.380 nan 0.000 0.515 263 A N 1.106 123.941 122.820 0.025 0.000 1.978 263 A HA -0.078 4.242 4.320 -0.000 0.000 0.220 263 A C 2.321 179.923 177.584 0.030 0.000 1.170 263 A CA 1.790 53.842 52.037 0.026 0.000 0.636 263 A CB -0.347 18.698 19.000 0.075 0.000 0.810 263 A HN 0.313 nan 8.150 nan 0.000 0.448 264 A N 0.008 122.878 122.820 0.084 0.000 2.070 264 A HA -0.167 4.153 4.320 -0.000 0.000 0.220 264 A C 1.597 179.199 177.584 0.029 0.000 1.159 264 A CA 1.767 53.890 52.037 0.143 0.000 0.656 264 A CB -0.556 18.521 19.000 0.128 0.000 0.800 264 A HN 0.462 nan 8.150 nan 0.000 0.453 265 D N -0.313 120.067 120.400 -0.034 0.000 2.221 265 D HA -0.186 4.454 4.640 -0.000 0.000 0.204 265 D C 1.767 177.962 176.300 -0.176 0.000 0.982 265 D CA 1.402 55.361 54.000 -0.068 0.000 0.857 265 D CB -0.297 40.474 40.800 -0.048 0.000 0.934 265 D HN 0.789 nan 8.370 nan 0.000 0.475 266 E N -0.264 119.724 120.200 -0.353 0.000 2.058 266 E HA -0.191 4.159 4.350 -0.000 0.000 0.194 266 E C 1.066 177.232 176.600 -0.722 0.000 0.997 266 E CA 0.906 56.944 56.400 -0.605 0.000 0.801 266 E CB -0.138 28.999 29.700 -0.939 0.000 0.746 266 E HN 0.253 nan 8.360 nan 0.000 0.450 267 F N 0.175 120.037 119.950 -0.147 0.000 2.804 267 F HA 0.152 4.679 4.527 -0.000 0.000 0.303 267 F C 1.023 176.712 175.800 -0.185 0.000 1.154 267 F CA 0.283 58.123 58.000 -0.267 0.000 1.401 267 F CB 0.216 39.077 39.000 -0.232 0.000 1.106 267 F HN -0.021 nan 8.300 nan 0.000 0.568 268 D N -0.488 119.883 120.400 -0.048 0.000 2.571 268 D HA 0.252 4.892 4.640 -0.000 0.000 0.239 268 D C 1.423 177.705 176.300 -0.030 0.000 1.267 268 D CA 0.483 54.474 54.000 -0.016 0.000 0.823 268 D CB 0.116 40.922 40.800 0.010 0.000 1.056 268 D HN 0.186 nan 8.370 nan 0.000 0.494 269 G N 1.004 109.766 108.800 -0.064 0.000 2.149 269 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.235 269 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.235 269 G C -0.192 174.697 174.900 -0.018 0.000 1.018 269 G CA -0.255 44.825 45.100 -0.033 0.000 0.728 269 G HN 0.243 nan 8.290 nan 0.000 0.508 270 E N 0.157 120.331 120.200 -0.043 0.000 2.109 270 E HA 0.472 4.821 4.350 -0.000 0.000 0.278 270 E C 0.597 177.184 176.600 -0.022 0.000 0.954 270 E CA -0.496 55.892 56.400 -0.021 0.000 0.779 270 E CB 1.123 30.809 29.700 -0.024 0.000 1.093 270 E HN 0.466 nan 8.360 nan 0.000 0.401 271 I N 1.908 122.483 120.570 0.009 0.000 2.342 271 I HA 0.195 4.365 4.170 -0.000 0.000 0.291 271 I C 0.617 176.767 176.117 0.056 0.000 1.010 271 I CA -0.707 60.604 61.300 0.019 0.000 1.308 271 I CB 1.254 39.264 38.000 0.017 0.000 1.400 271 I HN 0.388 nan 8.210 nan 0.000 0.488 272 A N 6.909 129.760 122.820 0.051 0.000 2.484 272 A HA 0.069 4.389 4.320 -0.000 0.000 0.268 272 A C -0.697 176.987 177.584 0.166 0.000 1.114 272 A CA 0.232 52.318 52.037 0.082 0.000 0.780 272 A CB -0.319 18.711 19.000 0.051 0.000 1.061 272 A HN 0.584 nan 8.150 nan 0.000 0.505 273 Y N 3.794 124.103 120.300 0.016 0.000 2.854 273 Y HA 0.472 5.022 4.550 -0.000 0.000 0.330 273 Y C 0.943 176.859 175.900 0.026 0.000 1.037 273 Y CA -0.075 58.040 58.100 0.024 0.000 1.263 273 Y CB -0.041 38.433 38.460 0.023 0.000 1.120 273 Y HN 1.404 nan 8.280 nan 0.000 0.532 274 G N 2.792 111.648 108.800 0.093 0.000 2.574 274 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.301 274 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.301 274 G C 0.911 175.806 174.900 -0.009 0.000 1.166 274 G CA 0.539 45.630 45.100 -0.016 0.000 0.971 274 G HN 0.558 nan 8.290 nan 0.000 0.542 275 S N 0.727 116.398 115.700 -0.048 0.000 2.559 275 S HA 0.451 4.921 4.470 -0.000 0.000 0.226 275 S C 1.161 175.748 174.600 -0.022 0.000 1.000 275 S CA 0.553 58.738 58.200 -0.024 0.000 0.948 275 S CB -0.196 62.986 63.200 -0.031 0.000 0.870 275 S HN 0.788 nan 8.310 nan 0.000 0.497 276 I N -0.529 120.019 120.570 -0.036 0.000 3.709 276 I HA 0.743 4.913 4.170 -0.000 0.000 0.274 276 I C -0.135 176.024 176.117 0.070 0.000 1.240 276 I CA -0.916 60.383 61.300 -0.002 0.000 1.076 276 I CB 1.405 39.386 38.000 -0.031 0.000 1.389 276 I HN 0.001 nan 8.210 nan 0.000 0.529 277 T N -0.896 113.720 114.554 0.103 0.000 2.896 277 T HA 0.702 5.051 4.350 -0.000 0.000 0.297 277 T C -0.726 174.070 174.700 0.160 0.000 1.108 277 T CA -0.634 61.544 62.100 0.130 0.000 1.004 277 T CB 1.893 70.800 68.868 0.065 0.000 1.159 277 T HN 0.514 nan 8.240 nan 0.000 0.499 278 I N 1.843 122.483 120.570 0.117 0.000 2.404 278 I HA 0.492 4.662 4.170 -0.000 0.000 0.293 278 I C 0.257 176.398 176.117 0.040 0.000 0.992 278 I CA -0.773 60.560 61.300 0.056 0.000 1.149 278 I CB 2.048 40.031 38.000 -0.028 0.000 1.315 278 I HN 0.764 nan 8.210 nan 0.000 0.446 279 S N 4.679 120.402 115.700 0.037 0.000 2.480 279 S HA 0.232 4.702 4.470 -0.000 0.000 0.286 279 S C 0.642 175.279 174.600 0.062 0.000 1.180 279 S CA -0.589 57.635 58.200 0.040 0.000 1.075 279 S CB 1.172 64.392 63.200 0.033 0.000 0.996 279 S HN 0.589 nan 8.310 nan 0.000 0.487 280 Q N 2.690 122.537 119.800 0.078 0.000 2.444 280 Q HA 0.105 4.445 4.340 -0.000 0.000 0.206 280 Q C 0.038 176.132 176.000 0.156 0.000 0.948 280 Q CA 0.417 56.300 55.803 0.133 0.000 0.946 280 Q CB 0.081 28.880 28.738 0.101 0.000 1.027 280 Q HN 0.593 nan 8.270 nan 0.000 0.513 281 R N 0.622 121.187 120.500 0.109 0.000 2.389 281 R HA 0.248 4.588 4.340 -0.000 0.000 0.295 281 R C -0.288 176.085 176.300 0.121 0.000 1.075 281 R CA -0.134 56.033 56.100 0.112 0.000 1.005 281 R CB 1.179 31.524 30.300 0.075 0.000 0.987 281 R HN -0.093 nan 8.270 nan 0.000 0.452 282 V N 4.188 124.201 119.914 0.164 0.000 2.617 282 V HA 0.276 4.396 4.120 -0.000 0.000 0.298 282 V C 0.095 176.267 176.094 0.130 0.000 1.048 282 V CA -0.836 61.563 62.300 0.165 0.000 0.964 282 V CB 1.383 33.391 31.823 0.307 0.000 1.004 282 V HN 0.660 nan 8.190 nan 0.000 0.466 283 R N 4.644 125.197 120.500 0.088 0.000 2.734 283 R HA 0.275 4.615 4.340 -0.000 0.000 0.266 283 R C -0.521 175.920 176.300 0.235 0.000 1.044 283 R CA 0.114 56.267 56.100 0.088 0.000 1.128 283 R CB -0.065 30.190 30.300 -0.075 0.000 1.010 283 R HN 0.635 nan 8.270 nan 0.000 0.461 284 I N 2.062 122.797 120.570 0.276 0.000 2.306 284 I HA 0.229 4.399 4.170 -0.000 0.000 0.288 284 I C 0.525 176.849 176.117 0.345 0.000 1.036 284 I CA -0.466 60.999 61.300 0.275 0.000 1.221 284 I CB 1.427 39.530 38.000 0.171 0.000 1.385 284 I HN 0.490 nan 8.210 nan 0.000 0.472 285 A N 4.431 127.413 122.820 0.269 0.000 2.388 285 A HA 0.367 4.687 4.320 -0.000 0.000 0.257 285 A C 0.546 178.115 177.584 -0.026 0.000 1.095 285 A CA -0.257 51.766 52.037 -0.023 0.000 0.791 285 A CB 0.010 19.018 19.000 0.013 0.000 1.029 285 A HN 0.668 nan 8.150 nan 0.000 0.489 286 T N 4.852 119.341 114.554 -0.108 0.000 2.750 286 T HA 0.198 4.548 4.350 -0.000 0.000 0.277 286 T C -2.241 172.424 174.700 -0.059 0.000 0.996 286 T CA 0.264 62.323 62.100 -0.068 0.000 1.195 286 T CB -0.467 68.341 68.868 -0.099 0.000 0.963 286 T HN 0.471 nan 8.240 nan 0.000 0.516 287 P HA 0.245 nan 4.420 nan 0.000 0.268 287 P C 1.100 178.351 177.300 -0.081 0.000 1.205 287 P CA 0.438 63.508 63.100 -0.050 0.000 0.771 287 P CB 0.355 32.034 31.700 -0.036 0.000 0.858 288 G N 1.744 110.485 108.800 -0.098 0.000 2.189 288 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.267 288 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.267 288 G C 0.332 175.134 174.900 -0.163 0.000 0.975 288 G CA 0.008 45.036 45.100 -0.120 0.000 0.644 288 G HN 0.710 nan 8.290 nan 0.000 0.537 289 R N 0.956 121.338 120.500 -0.197 0.000 2.229 289 R HA 0.489 4.828 4.340 -0.000 0.000 0.332 289 R C -1.084 174.935 176.300 -0.469 0.000 0.989 289 R CA -0.570 55.329 56.100 -0.335 0.000 0.842 289 R CB 0.515 30.619 30.300 -0.326 0.000 1.119 289 R HN 0.181 nan 8.270 nan 0.000 0.456 290 D N 3.431 123.513 120.400 -0.530 0.000 2.374 290 D HA 0.376 5.016 4.640 -0.000 0.000 0.239 290 D C -0.647 175.230 176.300 -0.705 0.000 0.991 290 D CA -0.173 53.557 54.000 -0.450 0.000 0.960 290 D CB 1.497 42.170 40.800 -0.211 0.000 1.284 290 D HN 0.259 nan 8.370 nan 0.000 0.512 291 F N -0.591 119.318 119.950 -0.068 0.000 2.631 291 F HA 0.370 4.897 4.527 -0.000 0.000 0.328 291 F C 0.972 176.723 175.800 -0.082 0.000 1.067 291 F CA -0.958 57.001 58.000 -0.069 0.000 0.969 291 F CB 1.007 39.974 39.000 -0.056 0.000 1.332 291 F HN 0.195 nan 8.300 nan 0.000 0.490 292 M N 0.208 119.871 119.600 0.106 0.000 2.360 292 M HA -0.195 4.285 4.480 -0.000 0.000 0.202 292 M C 0.521 176.845 176.300 0.041 0.000 0.390 292 M CA 0.879 56.219 55.300 0.067 0.000 0.470 292 M CB -1.631 31.039 32.600 0.115 0.000 1.637 292 M HN 0.780 nan 8.290 nan 0.000 0.885 293 T N -4.630 109.918 114.554 -0.010 0.000 3.069 293 T HA 0.234 4.584 4.350 -0.000 0.000 0.252 293 T C 0.073 174.743 174.700 -0.051 0.000 1.053 293 T CA 0.424 62.494 62.100 -0.050 0.000 0.964 293 T CB 0.250 69.073 68.868 -0.075 0.000 1.005 293 T HN 0.555 nan 8.240 nan 0.000 0.532 294 D N 0.185 120.577 120.400 -0.013 0.000 2.192 294 D HA 0.406 5.045 4.640 -0.000 0.000 0.246 294 D C 1.034 177.368 176.300 0.057 0.000 1.042 294 D CA -0.856 53.146 54.000 0.003 0.000 0.847 294 D CB 1.478 42.285 40.800 0.012 0.000 1.186 294 D HN -0.077 nan 8.370 nan 0.000 0.461 295 L N 4.260 125.513 121.223 0.050 0.000 2.012 295 L HA -0.088 4.251 4.340 -0.000 0.000 0.210 295 L C 1.788 178.771 176.870 0.187 0.000 1.073 295 L CA 1.851 56.761 54.840 0.117 0.000 0.748 295 L CB -0.338 41.769 42.059 0.080 0.000 0.891 295 L HN 0.498 nan 8.230 nan 0.000 0.431 296 K N -1.349 119.127 120.400 0.127 0.000 2.097 296 K HA -0.093 4.227 4.320 -0.000 0.000 0.205 296 K C 1.919 178.596 176.600 0.128 0.000 1.050 296 K CA 1.398 57.765 56.287 0.133 0.000 0.938 296 K CB -0.268 32.299 32.500 0.111 0.000 0.718 296 K HN 0.244 nan 8.250 nan 0.000 0.442 297 V N 1.253 121.226 119.914 0.097 0.000 2.343 297 V HA -0.246 3.873 4.120 -0.000 0.000 0.247 297 V C 1.975 178.088 176.094 0.031 0.000 1.051 297 V CA 1.725 64.048 62.300 0.039 0.000 1.036 297 V CB -0.536 31.261 31.823 -0.044 0.000 0.654 297 V HN 0.246 nan 8.190 nan 0.000 0.451 298 F N 0.561 120.480 119.950 -0.052 0.000 2.126 298 F HA -0.198 4.329 4.527 -0.000 0.000 0.299 298 F C 2.002 177.782 175.800 -0.033 0.000 1.096 298 F CA 1.772 59.738 58.000 -0.056 0.000 1.255 298 F CB -0.232 38.741 39.000 -0.046 0.000 0.997 298 F HN 0.042 nan 8.300 nan 0.000 0.479 299 L N -0.051 121.173 121.223 0.002 0.000 2.093 299 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 299 L C 2.144 178.996 176.870 -0.030 0.000 1.085 299 L CA 1.152 55.947 54.840 -0.075 0.000 0.755 299 L CB -0.857 41.273 42.059 0.119 0.000 0.904 299 L HN 0.076 nan 8.230 nan 0.000 0.435 300 D N -0.135 120.296 120.400 0.053 0.000 2.117 300 D HA -0.153 4.487 4.640 -0.000 0.000 0.197 300 D C 2.337 178.610 176.300 -0.045 0.000 0.987 300 D CA 1.144 55.200 54.000 0.094 0.000 0.829 300 D CB -0.142 40.655 40.800 -0.004 0.000 0.961 300 D HN 0.101 nan 8.370 nan 0.000 0.460 301 V N 1.298 121.146 119.914 -0.109 0.000 2.358 301 V HA -0.200 3.920 4.120 -0.000 0.000 0.246 301 V C 2.383 178.397 176.094 -0.135 0.000 1.047 301 V CA 1.297 63.538 62.300 -0.099 0.000 1.035 301 V CB -0.354 31.384 31.823 -0.142 0.000 0.658 301 V HN 0.143 nan 8.190 nan 0.000 0.452 302 Q N -0.315 119.280 119.800 -0.341 0.000 2.226 302 Q HA -0.152 4.188 4.340 -0.000 0.000 0.204 302 Q C 1.386 177.365 176.000 -0.034 0.000 0.975 302 Q CA 1.098 56.655 55.803 -0.411 0.000 0.866 302 Q CB -0.433 27.783 28.738 -0.869 0.000 0.915 302 Q HN 0.594 nan 8.270 nan 0.000 0.440 303 D N -0.557 119.924 120.400 0.136 0.000 2.336 303 D HA 0.288 4.928 4.640 -0.000 0.000 0.228 303 D C 0.273 176.794 176.300 0.369 0.000 1.120 303 D CA 0.514 54.708 54.000 0.324 0.000 0.839 303 D CB 0.316 41.356 40.800 0.400 0.000 0.932 303 D HN 0.163 nan 8.370 nan 0.000 0.509 304 A N -0.506 122.499 122.820 0.309 0.000 3.141 304 A HA -0.134 4.186 4.320 -0.000 0.000 0.242 304 A C 0.996 178.636 177.584 0.094 0.000 1.313 304 A CA 0.524 52.730 52.037 0.282 0.000 1.060 304 A CB -2.061 17.043 19.000 0.172 0.000 1.153 304 A HN 0.442 nan 8.150 nan 0.000 0.847 305 A N 0.399 123.119 122.820 -0.166 0.000 2.524 305 A HA 0.418 4.738 4.320 -0.000 0.000 0.250 305 A C 0.345 177.725 177.584 -0.340 0.000 1.078 305 A CA 0.836 52.456 52.037 -0.694 0.000 0.761 305 A CB 0.004 18.210 19.000 -1.324 0.000 1.012 305 A HN 0.677 nan 8.150 nan 0.000 0.500 306 D N 2.625 122.815 120.400 -0.349 0.000 2.435 306 D HA 0.247 4.887 4.640 -0.000 0.000 0.230 306 D C -0.231 175.883 176.300 -0.311 0.000 1.215 306 D CA 0.020 53.874 54.000 -0.244 0.000 0.947 306 D CB -0.395 40.289 40.800 -0.194 0.000 1.048 306 D HN 0.402 nan 8.370 nan 0.000 0.512 307 F N 1.782 121.606 119.950 -0.211 0.000 2.732 307 F HA 0.213 4.740 4.527 -0.000 0.000 0.303 307 F C 1.357 177.106 175.800 -0.084 0.000 1.110 307 F CA -0.324 57.545 58.000 -0.218 0.000 1.355 307 F CB 0.135 38.979 39.000 -0.261 0.000 1.081 307 F HN -0.031 nan 8.300 nan 0.000 0.565 308 R N 0.135 120.687 120.500 0.087 0.000 2.583 308 R HA 0.240 4.580 4.340 -0.000 0.000 0.274 308 R C 1.341 177.709 176.300 0.113 0.000 0.998 308 R CA 1.079 57.239 56.100 0.100 0.000 1.081 308 R CB -0.196 30.136 30.300 0.055 0.000 0.940 308 R HN 0.407 nan 8.270 nan 0.000 0.413 309 G N 2.160 111.050 108.800 0.150 0.000 2.141 309 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.242 309 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.242 309 G C 0.224 175.263 174.900 0.232 0.000 0.982 309 G CA 0.000 45.189 45.100 0.148 0.000 0.662 309 G HN 0.628 nan 8.290 nan 0.000 0.527 310 F N 1.330 121.316 119.950 0.060 0.000 2.743 310 F HA 0.412 4.939 4.527 -0.000 0.000 0.297 310 F C 1.291 177.131 175.800 0.067 0.000 1.131 310 F CA 0.187 58.231 58.000 0.074 0.000 1.426 310 F CB 0.246 39.322 39.000 0.127 0.000 1.116 310 F HN 0.250 nan 8.300 nan 0.000 0.583 311 E N 0.322 120.544 120.200 0.036 0.000 2.418 311 E HA 0.177 4.527 4.350 -0.000 0.000 0.261 311 E C 0.281 176.816 176.600 -0.109 0.000 1.070 311 E CA 0.165 56.545 56.400 -0.033 0.000 0.931 311 E CB 0.428 30.101 29.700 -0.046 0.000 0.954 311 E HN 0.217 nan 8.360 nan 0.000 0.439 312 S N 0.796 116.366 115.700 -0.217 0.000 2.578 312 S HA 0.688 5.158 4.470 -0.000 0.000 0.301 312 S C -1.080 173.229 174.600 -0.485 0.000 1.091 312 S CA -0.824 57.259 58.200 -0.195 0.000 1.032 312 S CB 0.681 63.813 63.200 -0.114 0.000 1.064 312 S HN 0.395 nan 8.310 nan 0.000 0.508 313 Y N -0.416 119.910 120.300 0.043 0.000 2.605 313 Y HA 0.532 5.082 4.550 -0.000 0.000 0.343 313 Y C 0.385 176.302 175.900 0.030 0.000 1.036 313 Y CA -1.099 57.031 58.100 0.050 0.000 1.065 313 Y CB 1.235 39.721 38.460 0.045 0.000 1.288 313 Y HN 0.592 nan 8.280 nan 0.000 0.481 314 E N 1.665 121.973 120.200 0.181 0.000 2.318 314 E HA 0.333 4.683 4.350 -0.000 0.000 0.265 314 E C -2.485 174.185 176.600 0.116 0.000 1.069 314 E CA -1.955 54.513 56.400 0.113 0.000 0.893 314 E CB 0.398 30.148 29.700 0.082 0.000 1.076 314 E HN 0.320 nan 8.360 nan 0.000 0.414 315 P HA 0.200 nan 4.420 nan 0.000 0.269 315 P C 0.287 177.617 177.300 0.050 0.000 1.209 315 P CA 0.474 63.605 63.100 0.052 0.000 0.776 315 P CB 0.469 32.190 31.700 0.036 0.000 0.876 316 G N 0.576 109.397 108.800 0.035 0.000 2.527 316 G HA2 0.317 4.277 3.960 -0.000 0.000 0.227 316 G HA3 0.317 4.277 3.960 -0.000 0.000 0.227 316 G C -1.011 173.914 174.900 0.042 0.000 1.291 316 G CA -0.201 44.919 45.100 0.033 0.000 0.904 316 G HN 0.845 nan 8.290 nan 0.000 0.577 317 A N -0.551 122.298 122.820 0.050 0.000 2.612 317 A HA 1.010 5.330 4.320 -0.000 0.000 0.293 317 A C -0.283 177.346 177.584 0.074 0.000 1.075 317 A CA 0.642 52.717 52.037 0.063 0.000 0.680 317 A CB 1.597 20.624 19.000 0.046 0.000 1.279 317 A HN 2.175 nan 8.150 nan 0.000 0.411 318 R N 0.760 121.317 120.500 0.094 0.000 2.734 318 R HA 0.711 5.051 4.340 -0.000 0.000 0.271 318 R C -1.532 174.835 176.300 0.112 0.000 1.021 318 R CA -0.918 55.237 56.100 0.092 0.000 0.893 318 R CB 0.743 31.096 30.300 0.088 0.000 1.244 318 R HN 0.546 nan 8.270 nan 0.000 0.464 319 L N 2.067 123.349 121.223 0.099 0.000 2.485 319 L HA 0.158 4.498 4.340 -0.000 0.000 0.275 319 L C 0.671 177.619 176.870 0.130 0.000 1.207 319 L CA -0.215 54.688 54.840 0.106 0.000 0.855 319 L CB 0.178 42.285 42.059 0.079 0.000 1.114 319 L HN 0.493 nan 8.230 nan 0.000 0.485 320 I N 3.179 123.835 120.570 0.144 0.000 2.906 320 I HA -0.190 3.980 4.170 -0.000 0.000 0.301 320 I C 1.252 177.486 176.117 0.194 0.000 1.221 320 I CA 0.842 62.249 61.300 0.178 0.000 1.435 320 I CB 0.117 38.199 38.000 0.137 0.000 1.345 320 I HN 0.691 nan 8.210 nan 0.000 0.558 321 R N 3.233 123.863 120.500 0.216 0.000 2.306 321 R HA 0.112 4.452 4.340 -0.000 0.000 0.183 321 R C 0.532 176.929 176.300 0.161 0.000 0.937 321 R CA 0.656 56.867 56.100 0.184 0.000 1.118 321 R CB 0.532 30.900 30.300 0.114 0.000 1.224 321 R HN 0.822 nan 8.270 nan 0.000 0.597 322 T N -2.584 112.024 114.554 0.090 0.000 2.938 322 T HA 0.336 4.686 4.350 -0.000 0.000 0.285 322 T C 1.386 175.989 174.700 -0.162 0.000 1.028 322 T CA -0.762 61.264 62.100 -0.122 0.000 1.005 322 T CB 1.283 70.101 68.868 -0.084 0.000 1.157 322 T HN 0.023 nan 8.240 nan 0.000 0.550 323 I N 0.159 120.477 120.570 -0.421 0.000 2.208 323 I HA -0.161 4.009 4.170 -0.000 0.000 0.245 323 I C 3.072 179.193 176.117 0.007 0.000 1.097 323 I CA 1.413 62.575 61.300 -0.230 0.000 1.363 323 I CB -0.337 37.511 38.000 -0.253 0.000 1.051 323 I HN 0.714 nan 8.210 nan 0.000 0.413 324 R N 0.879 121.369 120.500 -0.017 0.000 2.105 324 R HA -0.209 4.131 4.340 -0.000 0.000 0.239 324 R C 1.834 178.220 176.300 0.144 0.000 1.135 324 R CA 1.968 58.094 56.100 0.042 0.000 0.967 324 R CB -0.162 30.149 30.300 0.018 0.000 0.861 324 R HN 0.342 nan 8.270 nan 0.000 0.442 325 D N 0.540 121.043 120.400 0.172 0.000 2.117 325 D HA -0.181 4.459 4.640 -0.000 0.000 0.197 325 D C 1.819 178.309 176.300 0.316 0.000 0.987 325 D CA 0.856 55.005 54.000 0.248 0.000 0.829 325 D CB -0.235 40.708 40.800 0.239 0.000 0.961 325 D HN 0.180 nan 8.370 nan 0.000 0.460 326 L N 0.966 122.378 121.223 0.315 0.000 2.046 326 L HA -0.060 4.280 4.340 -0.000 0.000 0.208 326 L C 2.134 179.188 176.870 0.306 0.000 1.077 326 L CA 1.596 56.619 54.840 0.305 0.000 0.747 326 L CB -0.741 41.498 42.059 0.300 0.000 0.896 326 L HN -0.031 nan 8.230 nan 0.000 0.432 327 A N -1.636 121.325 122.820 0.235 0.000 1.902 327 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 327 A C 2.262 180.077 177.584 0.385 0.000 1.181 327 A CA 2.298 54.463 52.037 0.214 0.000 0.623 327 A CB -1.195 17.824 19.000 0.032 0.000 0.818 327 A HN 0.502 nan 8.150 nan 0.000 0.443 328 T N -1.862 112.915 114.554 0.371 0.000 2.746 328 T HA -0.206 4.144 4.350 -0.000 0.000 0.267 328 T C 1.463 176.378 174.700 0.357 0.000 1.039 328 T CA 1.398 63.736 62.100 0.397 0.000 1.142 328 T CB -0.345 68.761 68.868 0.398 0.000 0.866 328 T HN 0.694 nan 8.240 nan 0.000 0.444 329 W N 2.013 123.435 121.300 0.204 0.000 2.318 329 W HA -0.213 4.447 4.660 -0.000 0.000 0.313 329 W C 2.187 178.798 176.519 0.154 0.000 1.221 329 W CA 1.592 59.037 57.345 0.167 0.000 1.266 329 W CB -0.247 29.296 29.460 0.139 0.000 1.150 329 W HN 0.151 nan 8.180 nan 0.000 0.496 330 V N -2.373 117.849 119.914 0.513 0.000 3.573 330 V HA -0.049 4.071 4.120 -0.000 0.000 0.270 330 V C 1.729 177.909 176.094 0.145 0.000 1.221 330 V CA 1.898 64.413 62.300 0.358 0.000 1.163 330 V CB -1.170 30.780 31.823 0.212 0.000 0.847 330 V HN 0.404 nan 8.190 nan 0.000 0.468 331 H N -0.270 118.691 119.070 -0.182 0.000 2.363 331 H HA 0.050 4.606 4.556 -0.000 0.000 0.301 331 H C 1.232 176.037 175.328 -0.872 0.000 1.074 331 H CA 1.915 57.418 56.048 -0.908 0.000 1.354 331 H CB 0.218 29.014 29.762 -1.610 0.000 1.397 331 H HN 0.551 nan 8.280 nan 0.000 0.516 332 F N 0.694 120.627 119.950 -0.029 0.000 2.781 332 F HA 0.100 4.627 4.527 -0.000 0.000 0.322 332 F C 0.046 175.756 175.800 -0.150 0.000 1.108 332 F CA -0.697 57.217 58.000 -0.142 0.000 1.179 332 F CB 0.244 39.098 39.000 -0.242 0.000 1.072 332 F HN 0.097 nan 8.300 nan 0.000 0.545 333 D N 0.822 121.221 120.400 -0.002 0.000 2.449 333 D HA -0.010 4.630 4.640 -0.000 0.000 0.236 333 D C 0.564 176.811 176.300 -0.089 0.000 1.149 333 D CA 0.179 54.081 54.000 -0.164 0.000 0.878 333 D CB 1.118 41.826 40.800 -0.153 0.000 1.198 333 D HN 0.123 nan 8.370 nan 0.000 0.446 334 S N 1.280 116.876 115.700 -0.175 0.000 2.579 334 S HA 0.016 4.486 4.470 -0.000 0.000 0.275 334 S C 1.224 175.678 174.600 -0.243 0.000 1.345 334 S CA -0.724 57.335 58.200 -0.235 0.000 1.031 334 S CB 0.698 63.692 63.200 -0.343 0.000 0.892 334 S HN 0.401 nan 8.310 nan 0.000 0.529 335 L N 2.276 123.332 121.223 -0.278 0.000 2.141 335 L HA 0.037 4.377 4.340 -0.000 0.000 0.209 335 L C 1.905 178.789 176.870 0.022 0.000 1.094 335 L CA 1.600 56.342 54.840 -0.163 0.000 0.763 335 L CB -1.118 40.841 42.059 -0.167 0.000 0.908 335 L HN 0.958 nan 8.230 nan 0.000 0.437 336 Y N -2.601 117.779 120.300 0.132 0.000 2.461 336 Y HA 0.231 4.781 4.550 -0.000 0.000 0.277 336 Y C 1.957 177.913 175.900 0.094 0.000 1.182 336 Y CA -0.548 57.706 58.100 0.256 0.000 1.276 336 Y CB -1.373 37.199 38.460 0.187 0.000 1.087 336 Y HN 0.287 nan 8.280 nan 0.000 0.519 337 E N 1.659 121.920 120.200 0.102 0.000 2.065 337 E HA -0.306 4.044 4.350 -0.000 0.000 0.201 337 E C 2.314 178.937 176.600 0.039 0.000 1.016 337 E CA 2.074 58.518 56.400 0.074 0.000 0.818 337 E CB -0.209 29.460 29.700 -0.052 0.000 0.749 337 E HN 0.562 nan 8.360 nan 0.000 0.453 338 A N -0.238 122.502 122.820 -0.133 0.000 1.933 338 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 338 A C 1.849 179.160 177.584 -0.456 0.000 1.175 338 A CA 1.638 53.487 52.037 -0.314 0.000 0.628 338 A CB -0.780 17.825 19.000 -0.659 0.000 0.814 338 A HN 0.469 nan 8.150 nan 0.000 0.444 339 Y N -1.025 119.362 120.300 0.145 0.000 2.286 339 Y HA 0.052 4.602 4.550 -0.000 0.000 0.293 339 Y C 2.099 178.004 175.900 0.009 0.000 1.124 339 Y CA 0.509 58.640 58.100 0.052 0.000 1.178 339 Y CB -0.931 37.570 38.460 0.069 0.000 1.010 339 Y HN 0.282 nan 8.280 nan 0.000 0.536 340 L N 1.048 122.330 121.223 0.099 0.000 2.046 340 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 340 L C 1.552 178.402 176.870 -0.035 0.000 1.077 340 L CA 1.956 56.812 54.840 0.025 0.000 0.747 340 L CB -0.981 41.118 42.059 0.066 0.000 0.896 340 L HN 0.220 nan 8.230 nan 0.000 0.432 341 N N -0.574 118.103 118.700 -0.039 0.000 2.166 341 N HA -0.146 4.594 4.740 -0.000 0.000 0.186 341 N C 1.812 177.279 175.510 -0.071 0.000 1.019 341 N CA 0.950 53.967 53.050 -0.054 0.000 0.856 341 N CB -0.242 38.250 38.487 0.008 0.000 0.993 341 N HN 0.530 nan 8.380 nan 0.000 0.426 342 A N 0.599 123.346 122.820 -0.123 0.000 1.898 342 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 342 A C 2.500 179.847 177.584 -0.395 0.000 1.181 342 A CA 0.916 52.749 52.037 -0.340 0.000 0.620 342 A CB -1.110 17.618 19.000 -0.455 0.000 0.819 342 A HN 0.533 nan 8.150 nan 0.000 0.442 343 C N -0.394 118.773 119.300 -0.222 0.000 2.413 343 C HA -0.069 4.391 4.460 -0.000 0.000 0.276 343 C C 2.620 177.571 174.990 -0.066 0.000 1.248 343 C CA 1.258 60.198 59.018 -0.131 0.000 1.742 343 C CB -1.559 26.191 27.740 0.017 0.000 2.017 343 C HN 0.587 nan 8.230 nan 0.000 0.481 344 L N 0.212 121.409 121.223 -0.043 0.000 2.093 344 L HA -0.076 4.263 4.340 -0.000 0.000 0.208 344 L C 2.449 179.318 176.870 -0.002 0.000 1.085 344 L CA 1.370 56.216 54.840 0.010 0.000 0.755 344 L CB -0.512 41.549 42.059 0.003 0.000 0.904 344 L HN 0.362 nan 8.230 nan 0.000 0.435 345 I N -0.299 120.247 120.570 -0.039 0.000 2.202 345 I HA -0.300 3.870 4.170 -0.000 0.000 0.242 345 I C 2.398 178.495 176.117 -0.033 0.000 1.091 345 I CA 1.331 62.632 61.300 0.002 0.000 1.368 345 I CB -0.232 37.823 38.000 0.093 0.000 1.058 345 I HN 0.193 nan 8.210 nan 0.000 0.410 346 L N 0.137 121.248 121.223 -0.187 0.000 2.046 346 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 346 L C 2.531 179.335 176.870 -0.109 0.000 1.077 346 L CA 1.370 56.030 54.840 -0.300 0.000 0.747 346 L CB -0.552 40.942 42.059 -0.941 0.000 0.896 346 L HN 0.264 nan 8.230 nan 0.000 0.432 347 L N -0.474 120.765 121.223 0.027 0.000 2.027 347 L HA -0.164 4.176 4.340 -0.000 0.000 0.206 347 L C 2.883 179.790 176.870 0.062 0.000 1.074 347 L CA 1.169 56.085 54.840 0.126 0.000 0.745 347 L CB -0.712 41.465 42.059 0.197 0.000 0.898 347 L HN 0.222 nan 8.230 nan 0.000 0.433 348 A N 0.085 122.935 122.820 0.050 0.000 1.933 348 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 348 A C 1.882 179.482 177.584 0.026 0.000 1.175 348 A CA 1.779 53.841 52.037 0.042 0.000 0.628 348 A CB -0.518 18.506 19.000 0.040 0.000 0.814 348 A HN 0.425 nan 8.150 nan 0.000 0.444 349 N N -0.676 118.036 118.700 0.019 0.000 2.515 349 N HA 0.130 4.870 4.740 -0.000 0.000 0.185 349 N C 1.141 176.652 175.510 0.003 0.000 1.109 349 N CA 1.076 54.144 53.050 0.029 0.000 0.903 349 N CB 0.006 38.530 38.487 0.061 0.000 0.969 349 N HN 0.666 nan 8.380 nan 0.000 0.450 350 G N -0.332 108.448 108.800 -0.033 0.000 2.143 350 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.248 350 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.248 350 G C -0.021 174.760 174.900 -0.198 0.000 0.991 350 G CA 0.232 45.283 45.100 -0.082 0.000 0.689 350 G HN 0.198 nan 8.290 nan 0.000 0.522 351 V N 1.842 121.606 119.914 -0.251 0.000 2.599 351 V HA 0.253 4.373 4.120 -0.000 0.000 0.300 351 V C -0.869 174.993 176.094 -0.385 0.000 1.034 351 V CA -0.493 61.504 62.300 -0.505 0.000 1.115 351 V CB 0.721 32.310 31.823 -0.389 0.000 0.934 351 V HN 0.252 nan 8.190 nan 0.000 0.485 352 P HA 0.230 nan 4.420 nan 0.000 0.272 352 P C -0.502 176.698 177.300 -0.166 0.000 1.230 352 P CA -0.343 62.576 63.100 -0.301 0.000 0.788 352 P CB 0.363 31.961 31.700 -0.171 0.000 0.949 353 F N -0.053 119.891 119.950 -0.010 0.000 2.403 353 F HA 0.109 4.636 4.527 -0.000 0.000 0.320 353 F C 1.472 177.225 175.800 -0.078 0.000 1.176 353 F CA -0.295 57.644 58.000 -0.101 0.000 1.206 353 F CB -0.245 38.674 39.000 -0.135 0.000 1.235 353 F HN 0.276 nan 8.300 nan 0.000 0.565 354 D N 3.427 123.889 120.400 0.104 0.000 2.581 354 D HA -0.054 4.586 4.640 -0.000 0.000 0.238 354 D C -1.585 174.659 176.300 -0.093 0.000 1.145 354 D CA -1.143 52.855 54.000 -0.003 0.000 0.866 354 D CB 0.924 41.692 40.800 -0.054 0.000 1.151 354 D HN 0.142 nan 8.370 nan 0.000 0.500 355 P HA -0.072 nan 4.420 nan 0.000 0.230 355 P C 0.515 177.680 177.300 -0.224 0.000 1.158 355 P CA 0.462 63.500 63.100 -0.103 0.000 0.769 355 P CB 0.328 32.006 31.700 -0.035 0.000 0.807 356 N N -0.319 118.162 118.700 -0.364 0.000 2.467 356 N HA 0.055 4.795 4.740 -0.000 0.000 0.184 356 N C 0.875 175.992 175.510 -0.655 0.000 1.106 356 N CA 0.276 52.941 53.050 -0.643 0.000 0.892 356 N CB 0.031 37.763 38.487 -1.259 0.000 0.969 356 N HN 0.287 nan 8.380 nan 0.000 0.454 357 L N 1.898 122.769 121.223 -0.586 0.000 2.453 357 L HA 0.243 4.583 4.340 -0.000 0.000 0.261 357 L C -1.933 174.479 176.870 -0.764 0.000 1.179 357 L CA -1.601 52.761 54.840 -0.796 0.000 0.813 357 L CB 0.102 41.690 42.059 -0.786 0.000 1.110 357 L HN -0.160 nan 8.230 nan 0.000 0.466 358 P HA 0.095 nan 4.420 nan 0.000 0.272 358 P C -0.538 176.349 177.300 -0.689 0.000 1.230 358 P CA -0.247 62.181 63.100 -1.120 0.000 0.788 358 P CB 0.221 30.849 31.700 -1.787 0.000 0.949 359 F N -1.452 118.368 119.950 -0.217 0.000 3.067 359 F HA -0.180 4.347 4.527 -0.000 0.000 0.279 359 F C 1.086 176.850 175.800 -0.060 0.000 0.945 359 F CA 0.618 58.558 58.000 -0.100 0.000 0.948 359 F CB -2.784 36.189 39.000 -0.046 0.000 0.898 359 F HN 0.338 nan 8.300 nan 0.000 0.746 360 Q N -0.409 119.413 119.800 0.036 0.000 2.360 360 Q HA 0.128 4.468 4.340 -0.000 0.000 0.202 360 Q C 1.089 177.127 176.000 0.063 0.000 0.915 360 Q CA 0.390 56.232 55.803 0.065 0.000 0.943 360 Q CB 0.280 29.028 28.738 0.017 0.000 1.064 360 Q HN 0.654 nan 8.270 nan 0.000 0.511 361 Q N 0.697 120.532 119.800 0.058 0.000 2.414 361 Q HA 0.129 4.469 4.340 -0.000 0.000 0.206 361 Q C -0.228 175.805 176.000 0.054 0.000 1.058 361 Q CA -0.195 55.636 55.803 0.048 0.000 1.025 361 Q CB 0.598 29.361 28.738 0.042 0.000 1.196 361 Q HN 0.148 nan 8.270 nan 0.000 0.586 362 E N 0.668 120.894 120.200 0.043 0.000 2.398 362 E HA -0.091 4.259 4.350 -0.000 0.000 0.263 362 E C 0.081 176.703 176.600 0.037 0.000 1.046 362 E CA -0.317 56.107 56.400 0.039 0.000 0.908 362 E CB 0.483 30.201 29.700 0.031 0.000 0.963 362 E HN 0.430 nan 8.360 nan 0.000 0.431 363 D N 2.064 122.482 120.400 0.030 0.000 2.182 363 D HA -0.198 4.442 4.640 -0.000 0.000 0.201 363 D C 1.740 178.047 176.300 0.012 0.000 0.986 363 D CA 1.321 55.331 54.000 0.017 0.000 0.847 363 D CB 0.006 40.810 40.800 0.006 0.000 0.942 363 D HN 0.481 nan 8.370 nan 0.000 0.467 364 K N 0.488 120.897 120.400 0.015 0.000 2.209 364 K HA -0.077 4.243 4.320 -0.000 0.000 0.204 364 K C 1.977 178.587 176.600 0.016 0.000 1.048 364 K CA 0.879 57.174 56.287 0.012 0.000 0.940 364 K CB -0.244 32.264 32.500 0.012 0.000 0.729 364 K HN 0.181 nan 8.250 nan 0.000 0.451 365 L N 1.166 122.403 121.223 0.024 0.000 2.249 365 L HA -0.006 4.334 4.340 -0.000 0.000 0.207 365 L C 1.231 178.123 176.870 0.037 0.000 1.090 365 L CA 0.932 55.789 54.840 0.028 0.000 0.802 365 L CB -0.122 41.954 42.059 0.030 0.000 0.947 365 L HN 0.373 nan 8.230 nan 0.000 0.453 366 D N -3.678 116.749 120.400 0.045 0.000 2.500 366 D HA -0.019 4.621 4.640 -0.000 0.000 0.217 366 D C 0.288 176.603 176.300 0.024 0.000 1.159 366 D CA -0.233 53.808 54.000 0.068 0.000 0.828 366 D CB -0.203 40.682 40.800 0.142 0.000 1.039 366 D HN -0.070 nan 8.370 nan 0.000 0.512 367 N N 0.056 118.752 118.700 -0.007 0.000 2.693 367 N HA -0.234 4.506 4.740 -0.000 0.000 0.249 367 N C -0.808 174.630 175.510 -0.120 0.000 1.119 367 N CA 1.107 54.130 53.050 -0.046 0.000 0.717 367 N CB -1.285 37.179 38.487 -0.038 0.000 1.071 367 N HN 0.535 nan 8.380 nan 0.000 0.555 368 Q N 0.172 119.880 119.800 -0.154 0.000 2.275 368 Q HA 0.383 4.722 4.340 -0.000 0.000 0.258 368 Q C -1.574 174.301 176.000 -0.207 0.000 0.960 368 Q CA -0.611 54.990 55.803 -0.336 0.000 0.801 368 Q CB 1.290 29.490 28.738 -0.896 0.000 1.302 368 Q HN 0.121 nan 8.270 nan 0.000 0.433 369 D N 1.152 121.481 120.400 -0.119 0.000 2.423 369 D HA 0.569 5.209 4.640 -0.000 0.000 0.255 369 D C -0.769 175.558 176.300 0.045 0.000 1.174 369 D CA -0.261 53.740 54.000 0.002 0.000 1.008 369 D CB 1.446 42.255 40.800 0.015 0.000 1.101 369 D HN 0.366 nan 8.370 nan 0.000 0.516 370 V N -0.252 119.756 119.914 0.157 0.000 2.680 370 V HA 0.699 4.819 4.120 -0.000 0.000 0.309 370 V C -0.521 175.738 176.094 0.276 0.000 1.052 370 V CA -0.612 61.813 62.300 0.209 0.000 0.908 370 V CB 1.629 33.590 31.823 0.229 0.000 1.001 370 V HN 0.690 nan 8.190 nan 0.000 0.431 371 F N 2.045 122.004 119.950 0.015 0.000 1.819 371 F HA 0.263 4.790 4.527 -0.000 0.000 0.232 371 F C 1.499 177.270 175.800 -0.050 0.000 1.257 371 F CA 1.473 59.471 58.000 -0.004 0.000 1.283 371 F CB -0.004 38.995 39.000 -0.001 0.000 1.979 371 F HN 0.281 nan 8.300 nan 0.000 0.161 372 V N 1.718 121.616 119.914 -0.026 0.000 2.219 372 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 372 V C 0.245 176.142 176.094 -0.328 0.000 1.053 372 V CA 1.951 64.138 62.300 -0.190 0.000 1.009 372 V CB -0.848 30.939 31.823 -0.060 0.000 0.636 372 V HN 0.346 nan 8.190 nan 0.000 0.445 373 N N -0.500 117.981 118.700 -0.365 0.000 2.405 373 N HA 0.423 5.163 4.740 -0.000 0.000 0.299 373 N C -0.223 174.936 175.510 -0.585 0.000 1.075 373 N CA -0.588 51.988 53.050 -0.791 0.000 0.884 373 N CB 1.220 38.980 38.487 -1.211 0.000 1.194 373 N HN 0.239 nan 8.380 nan 0.000 0.491 374 F N -2.140 117.976 119.950 0.277 0.000 2.973 374 F HA -0.199 4.328 4.527 -0.000 0.000 0.299 374 F C 1.031 176.694 175.800 -0.229 0.000 0.737 374 F CA 0.891 58.835 58.000 -0.095 0.000 1.151 374 F CB -1.929 36.842 39.000 -0.382 0.000 1.440 374 F HN 0.534 nan 8.300 nan 0.000 0.367 375 G N -0.664 108.069 108.800 -0.110 0.000 3.251 375 G HA2 0.502 4.462 3.960 -0.000 0.000 0.248 375 G HA3 0.502 4.462 3.960 -0.000 0.000 0.248 375 G C 0.659 175.326 174.900 -0.388 0.000 1.320 375 G CA 0.017 44.940 45.100 -0.295 0.000 0.982 375 G HN 0.380 nan 8.290 nan 0.000 0.575 376 S N -0.761 114.860 115.700 -0.133 0.000 2.382 376 S HA -0.022 4.448 4.470 -0.000 0.000 0.228 376 S C 2.483 176.867 174.600 -0.360 0.000 1.027 376 S CA 1.884 60.016 58.200 -0.114 0.000 0.991 376 S CB -0.538 62.756 63.200 0.157 0.000 0.823 376 S HN 1.125 nan 8.310 nan 0.000 0.469 377 A N 1.340 123.747 122.820 -0.688 0.000 1.930 377 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 377 A C 2.114 179.484 177.584 -0.356 0.000 1.175 377 A CA 1.582 53.237 52.037 -0.637 0.000 0.627 377 A CB -1.315 17.104 19.000 -0.968 0.000 0.815 377 A HN 0.816 nan 8.150 nan 0.000 0.443 378 H N -1.324 117.469 119.070 -0.462 0.000 2.293 378 H HA -0.101 4.455 4.556 -0.000 0.000 0.300 378 H C 2.131 177.162 175.328 -0.494 0.000 1.082 378 H CA 1.523 57.361 56.048 -0.351 0.000 1.308 378 H CB 0.063 29.701 29.762 -0.207 0.000 1.375 378 H HN 0.246 nan 8.280 nan 0.000 0.495 379 V N 0.825 120.205 119.914 -0.890 0.000 2.515 379 V HA -0.177 3.943 4.120 -0.000 0.000 0.250 379 V C 2.256 178.074 176.094 -0.460 0.000 1.058 379 V CA 1.381 63.026 62.300 -1.091 0.000 1.064 379 V CB -0.411 30.482 31.823 -1.551 0.000 0.675 379 V HN 0.406 nan 8.190 nan 0.000 0.461 380 L N -0.450 120.579 121.223 -0.323 0.000 2.141 380 L HA -0.099 4.241 4.340 -0.000 0.000 0.209 380 L C 2.605 179.358 176.870 -0.194 0.000 1.094 380 L CA 1.789 56.511 54.840 -0.198 0.000 0.763 380 L CB -0.422 41.555 42.059 -0.136 0.000 0.908 380 L HN 0.302 nan 8.230 nan 0.000 0.437 381 S N -0.558 115.038 115.700 -0.174 0.000 2.406 381 S HA -0.051 4.419 4.470 -0.000 0.000 0.224 381 S C 1.739 176.267 174.600 -0.120 0.000 1.030 381 S CA 0.412 58.533 58.200 -0.131 0.000 0.958 381 S CB -0.025 63.126 63.200 -0.083 0.000 0.811 381 S HN 0.171 nan 8.310 nan 0.000 0.489 382 L N 1.589 122.745 121.223 -0.113 0.000 2.093 382 L HA 0.088 4.428 4.340 -0.000 0.000 0.208 382 L C 2.244 179.043 176.870 -0.118 0.000 1.085 382 L CA 1.325 56.115 54.840 -0.084 0.000 0.755 382 L CB -0.835 41.172 42.059 -0.087 0.000 0.904 382 L HN 0.193 nan 8.230 nan 0.000 0.435 383 V N -0.654 119.163 119.914 -0.162 0.000 2.594 383 V HA -0.246 3.874 4.120 -0.000 0.000 0.253 383 V C 2.404 178.407 176.094 -0.152 0.000 1.069 383 V CA 2.250 64.475 62.300 -0.126 0.000 1.082 383 V CB -0.467 31.299 31.823 -0.096 0.000 0.680 383 V HN 0.798 nan 8.190 nan 0.000 0.469 384 T N -2.075 112.310 114.554 -0.281 0.000 3.044 384 T HA -0.047 4.303 4.350 -0.000 0.000 0.255 384 T C 1.678 176.309 174.700 -0.115 0.000 1.073 384 T CA 0.918 62.753 62.100 -0.441 0.000 1.125 384 T CB -0.171 68.182 68.868 -0.859 0.000 0.908 384 T HN 0.771 nan 8.240 nan 0.000 0.480 385 E N 2.354 122.508 120.200 -0.077 0.000 2.152 385 E HA -0.117 4.233 4.350 -0.000 0.000 0.192 385 E C 2.204 178.811 176.600 0.013 0.000 0.983 385 E CA 1.340 57.734 56.400 -0.011 0.000 0.818 385 E CB -0.552 29.139 29.700 -0.016 0.000 0.758 385 E HN 0.514 nan 8.360 nan 0.000 0.467 386 V N -1.004 118.910 119.914 -0.001 0.000 2.720 386 V HA -0.059 4.061 4.120 -0.000 0.000 0.256 386 V C 2.466 178.577 176.094 0.028 0.000 1.082 386 V CA 1.300 63.603 62.300 0.004 0.000 1.101 386 V CB -0.799 31.012 31.823 -0.019 0.000 0.693 386 V HN 0.366 nan 8.190 nan 0.000 0.479 387 A N 2.216 125.078 122.820 0.070 0.000 1.883 387 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 387 A C 2.533 180.156 177.584 0.066 0.000 1.186 387 A CA 2.969 55.065 52.037 0.098 0.000 0.624 387 A CB -1.407 17.726 19.000 0.220 0.000 0.822 387 A HN 0.785 nan 8.150 nan 0.000 0.444 388 T N -2.518 112.076 114.554 0.066 0.000 2.951 388 T HA -0.067 4.283 4.350 -0.000 0.000 0.268 388 T C 1.864 176.580 174.700 0.026 0.000 1.073 388 T CA 1.297 63.423 62.100 0.043 0.000 1.134 388 T CB -0.209 68.687 68.868 0.046 0.000 0.884 388 T HN 0.405 nan 8.240 nan 0.000 0.479 389 R N 1.502 122.015 120.500 0.023 0.000 2.090 389 R HA 0.372 4.712 4.340 -0.000 0.000 0.228 389 R C 2.860 179.164 176.300 0.006 0.000 1.110 389 R CA 1.204 57.311 56.100 0.012 0.000 0.973 389 R CB -0.865 29.440 30.300 0.009 0.000 0.869 389 R HN 0.521 nan 8.270 nan 0.000 0.440 390 A N 0.631 123.455 122.820 0.007 0.000 1.898 390 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 390 A C 2.082 179.669 177.584 0.005 0.000 1.181 390 A CA 1.097 53.134 52.037 0.001 0.000 0.620 390 A CB -0.547 18.451 19.000 -0.004 0.000 0.819 390 A HN 0.197 nan 8.150 nan 0.000 0.442 391 L N -0.713 120.516 121.223 0.010 0.000 2.046 391 L HA -0.214 4.125 4.340 -0.000 0.000 0.208 391 L C 2.586 179.465 176.870 0.014 0.000 1.077 391 L CA 1.734 56.580 54.840 0.009 0.000 0.747 391 L CB -0.429 41.634 42.059 0.008 0.000 0.896 391 L HN 0.361 nan 8.230 nan 0.000 0.432 392 K N 0.011 120.418 120.400 0.011 0.000 2.063 392 K HA -0.165 4.155 4.320 -0.000 0.000 0.208 392 K C 2.225 178.843 176.600 0.030 0.000 1.048 392 K CA 1.441 57.733 56.287 0.008 0.000 0.928 392 K CB -0.300 32.190 32.500 -0.016 0.000 0.713 392 K HN 0.290 nan 8.250 nan 0.000 0.442 393 A N 0.800 123.633 122.820 0.022 0.000 1.933 393 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 393 A C 2.285 179.923 177.584 0.090 0.000 1.175 393 A CA 1.350 53.415 52.037 0.047 0.000 0.628 393 A CB -0.570 18.444 19.000 0.022 0.000 0.814 393 A HN 0.159 nan 8.150 nan 0.000 0.444 394 V N -0.238 119.705 119.914 0.049 0.000 2.719 394 V HA -0.113 4.007 4.120 -0.000 0.000 0.252 394 V C 2.506 178.640 176.094 0.066 0.000 1.065 394 V CA 1.347 63.666 62.300 0.032 0.000 1.086 394 V CB -0.683 31.133 31.823 -0.012 0.000 0.700 394 V HN 0.469 nan 8.190 nan 0.000 0.467 395 R N -0.928 119.629 120.500 0.095 0.000 2.075 395 R HA -0.152 4.188 4.340 -0.000 0.000 0.232 395 R C 2.126 178.558 176.300 0.219 0.000 1.126 395 R CA 1.864 58.065 56.100 0.168 0.000 0.963 395 R CB -0.915 29.470 30.300 0.141 0.000 0.858 395 R HN 0.664 nan 8.270 nan 0.000 0.435 396 Y N 2.480 122.806 120.300 0.044 0.000 2.128 396 Y HA -0.251 4.299 4.550 -0.000 0.000 0.284 396 Y C 2.407 178.337 175.900 0.050 0.000 1.154 396 Y CA 1.666 59.779 58.100 0.020 0.000 1.149 396 Y CB -0.140 38.305 38.460 -0.026 0.000 0.976 396 Y HN -0.004 nan 8.280 nan 0.000 0.505 397 Q N 0.643 120.485 119.800 0.069 0.000 2.050 397 Q HA -0.198 4.142 4.340 -0.000 0.000 0.202 397 Q C 2.194 178.254 176.000 0.099 0.000 0.980 397 Q CA 1.952 57.795 55.803 0.067 0.000 0.840 397 Q CB -0.428 28.396 28.738 0.143 0.000 0.898 397 Q HN 0.526 nan 8.270 nan 0.000 0.424 398 K N -0.450 119.979 120.400 0.049 0.000 2.009 398 K HA -0.119 4.201 4.320 -0.000 0.000 0.210 398 K C 1.995 178.509 176.600 -0.144 0.000 1.049 398 K CA 1.520 57.773 56.287 -0.056 0.000 0.929 398 K CB -0.145 32.234 32.500 -0.201 0.000 0.714 398 K HN 0.075 nan 8.250 nan 0.000 0.440 399 F N 0.233 120.136 119.950 -0.078 0.000 2.383 399 F HA 0.068 4.595 4.527 -0.000 0.000 0.287 399 F C 1.643 177.304 175.800 -0.231 0.000 1.069 399 F CA 0.612 58.523 58.000 -0.148 0.000 1.402 399 F CB -0.082 38.815 39.000 -0.172 0.000 1.116 399 F HN -0.030 nan 8.300 nan 0.000 0.549 400 N N -0.257 118.378 118.700 -0.107 0.000 2.376 400 N HA -0.011 4.728 4.740 -0.000 0.000 0.177 400 N C 1.440 176.725 175.510 -0.375 0.000 1.024 400 N CA 0.856 53.733 53.050 -0.288 0.000 0.893 400 N CB 0.313 38.541 38.487 -0.430 0.000 0.980 400 N HN 0.084 nan 8.380 nan 0.000 0.439 401 I N -0.483 119.835 120.570 -0.420 0.000 3.341 401 I HA 0.021 4.191 4.170 -0.000 0.000 0.243 401 I C 1.687 177.598 176.117 -0.343 0.000 1.094 401 I CA 0.946 61.964 61.300 -0.471 0.000 1.507 401 I CB -1.093 36.483 38.000 -0.706 0.000 1.441 401 I HN 0.181 nan 8.210 nan 0.000 0.465 402 H N 1.640 120.715 119.070 0.009 0.000 2.399 402 H HA 0.195 4.751 4.556 -0.000 0.000 0.300 402 H C 0.311 175.702 175.328 0.104 0.000 1.048 402 H CA 0.219 56.314 56.048 0.080 0.000 1.370 402 H CB 0.177 30.050 29.762 0.185 0.000 1.428 402 H HN 0.189 nan 8.280 nan 0.000 0.534 403 R N 1.095 121.720 120.500 0.209 0.000 3.322 403 R HA -0.163 4.177 4.340 -0.000 0.000 0.253 403 R C 0.150 176.616 176.300 0.278 0.000 0.987 403 R CA 0.148 56.384 56.100 0.226 0.000 0.666 403 R CB -1.366 29.124 30.300 0.316 0.000 1.072 403 R HN 0.307 nan 8.270 nan 0.000 0.447 404 R N 1.950 122.594 120.500 0.240 0.000 2.442 404 R HA 0.145 4.485 4.340 -0.000 0.000 0.291 404 R C 0.843 177.312 176.300 0.281 0.000 1.069 404 R CA -0.299 55.929 56.100 0.214 0.000 1.022 404 R CB 0.476 30.872 30.300 0.159 0.000 0.976 404 R HN 0.341 nan 8.270 nan 0.000 0.443 405 L N 2.738 124.118 121.223 0.262 0.000 2.483 405 L HA 0.248 4.588 4.340 -0.000 0.000 0.276 405 L C -0.004 177.054 176.870 0.314 0.000 1.213 405 L CA -0.511 54.496 54.840 0.279 0.000 0.843 405 L CB 0.452 42.610 42.059 0.166 0.000 1.107 405 L HN 0.531 nan 8.230 nan 0.000 0.487 406 R N 2.710 123.355 120.500 0.242 0.000 2.679 406 R HA 0.199 4.539 4.340 -0.000 0.000 0.269 406 R C -1.566 174.730 176.300 -0.007 0.000 1.076 406 R CA -1.625 54.522 56.100 0.078 0.000 1.160 406 R CB 0.178 30.480 30.300 0.003 0.000 1.054 406 R HN 0.541 nan 8.270 nan 0.000 0.507 407 P HA -0.226 nan 4.420 nan 0.000 0.216 407 P C 1.031 178.237 177.300 -0.157 0.000 1.150 407 P CA 1.501 64.363 63.100 -0.397 0.000 0.843 407 P CB 0.069 31.343 31.700 -0.710 0.000 0.787 408 E N -0.000 120.135 120.200 -0.107 0.000 2.110 408 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 408 E C 1.901 178.614 176.600 0.188 0.000 0.988 408 E CA 1.455 57.875 56.400 0.033 0.000 0.804 408 E CB -1.030 28.728 29.700 0.097 0.000 0.745 408 E HN 0.138 nan 8.360 nan 0.000 0.458 409 A N 1.309 124.211 122.820 0.137 0.000 1.930 409 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 409 A C 2.395 180.028 177.584 0.082 0.000 1.175 409 A CA 1.782 53.910 52.037 0.151 0.000 0.627 409 A CB -0.865 18.159 19.000 0.040 0.000 0.815 409 A HN 0.337 nan 8.150 nan 0.000 0.443 410 T N -0.211 114.379 114.554 0.060 0.000 2.821 410 T HA -0.032 4.318 4.350 -0.000 0.000 0.267 410 T C 1.944 176.653 174.700 0.015 0.000 1.046 410 T CA 1.340 63.463 62.100 0.038 0.000 1.139 410 T CB -0.514 68.427 68.868 0.121 0.000 0.871 410 T HN 0.568 nan 8.240 nan 0.000 0.454 411 G N 0.961 109.749 108.800 -0.020 0.000 2.422 411 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.218 411 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.218 411 G C 1.719 176.555 174.900 -0.108 0.000 1.146 411 G CA 0.871 45.951 45.100 -0.034 0.000 0.769 411 G HN 0.556 nan 8.290 nan 0.000 0.547 412 G N 0.921 109.588 108.800 -0.221 0.000 2.418 412 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.217 412 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.217 412 G C 1.795 176.687 174.900 -0.015 0.000 1.158 412 G CA 0.730 45.663 45.100 -0.278 0.000 0.771 412 G HN 0.422 nan 8.290 nan 0.000 0.545 413 L N -0.007 121.201 121.223 -0.025 0.000 2.017 413 L HA -0.039 4.301 4.340 -0.000 0.000 0.208 413 L C 2.878 179.796 176.870 0.080 0.000 1.073 413 L CA 0.814 55.623 54.840 -0.052 0.000 0.745 413 L CB -0.420 41.489 42.059 -0.250 0.000 0.894 413 L HN 0.188 nan 8.230 nan 0.000 0.432 414 I N -0.878 119.715 120.570 0.039 0.000 2.163 414 I HA -0.330 3.840 4.170 -0.000 0.000 0.243 414 I C 2.872 179.020 176.117 0.053 0.000 1.085 414 I CA 1.468 62.790 61.300 0.037 0.000 1.347 414 I CB -0.273 37.769 38.000 0.070 0.000 1.044 414 I HN 0.213 nan 8.210 nan 0.000 0.408 415 S N 0.219 115.981 115.700 0.104 0.000 2.356 415 S HA -0.132 4.338 4.470 -0.000 0.000 0.223 415 S C 2.077 176.787 174.600 0.183 0.000 1.032 415 S CA 1.334 59.656 58.200 0.203 0.000 1.005 415 S CB -0.189 63.083 63.200 0.121 0.000 0.867 415 S HN 0.223 nan 8.310 nan 0.000 0.449 416 V N 3.368 123.379 119.914 0.162 0.000 2.343 416 V HA -0.151 3.969 4.120 -0.000 0.000 0.247 416 V C 2.625 178.796 176.094 0.128 0.000 1.051 416 V CA 2.001 64.400 62.300 0.165 0.000 1.036 416 V CB -0.936 31.041 31.823 0.256 0.000 0.654 416 V HN 0.635 nan 8.190 nan 0.000 0.451 417 N N 0.964 119.761 118.700 0.160 0.000 2.084 417 N HA -0.245 4.495 4.740 -0.000 0.000 0.190 417 N C 1.982 177.529 175.510 0.061 0.000 1.030 417 N CA 2.213 55.325 53.050 0.104 0.000 0.849 417 N CB -0.149 38.409 38.487 0.120 0.000 1.012 417 N HN 0.515 nan 8.380 nan 0.000 0.423 418 K N 0.384 120.773 120.400 -0.019 0.000 2.097 418 K HA -0.033 4.287 4.320 -0.000 0.000 0.206 418 K C 1.845 178.476 176.600 0.052 0.000 1.049 418 K CA 1.049 57.261 56.287 -0.124 0.000 0.933 418 K CB -0.018 32.151 32.500 -0.553 0.000 0.717 418 K HN 0.194 nan 8.250 nan 0.000 0.442 419 N N 0.566 119.352 118.700 0.144 0.000 2.142 419 N HA -0.141 4.599 4.740 -0.000 0.000 0.186 419 N C 1.742 177.322 175.510 0.117 0.000 1.023 419 N CA 1.341 54.501 53.050 0.184 0.000 0.852 419 N CB -0.264 38.331 38.487 0.181 0.000 0.998 419 N HN 0.285 nan 8.380 nan 0.000 0.424 420 A N 0.986 123.857 122.820 0.085 0.000 1.908 420 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 420 A C 2.113 179.725 177.584 0.047 0.000 1.181 420 A CA 1.118 53.178 52.037 0.038 0.000 0.627 420 A CB -1.066 17.931 19.000 -0.005 0.000 0.818 420 A HN 0.324 nan 8.150 nan 0.000 0.445 421 F N 0.606 120.536 119.950 -0.033 0.000 2.091 421 F HA -0.197 4.330 4.527 -0.000 0.000 0.299 421 F C 1.906 177.691 175.800 -0.024 0.000 1.103 421 F CA 1.965 59.943 58.000 -0.037 0.000 1.228 421 F CB -0.304 38.662 39.000 -0.057 0.000 0.984 421 F HN 0.152 nan 8.300 nan 0.000 0.477 422 L N -0.228 121.087 121.223 0.153 0.000 2.127 422 L HA -0.205 4.135 4.340 -0.000 0.000 0.211 422 L C 1.255 178.098 176.870 -0.044 0.000 1.089 422 L CA 1.251 56.136 54.840 0.075 0.000 0.757 422 L CB -0.524 41.620 42.059 0.142 0.000 0.899 422 L HN -0.016 nan 8.230 nan 0.000 0.434 423 K N -0.440 119.931 120.400 -0.048 0.000 2.577 423 K HA 0.166 4.486 4.320 -0.000 0.000 0.210 423 K C 0.539 177.072 176.600 -0.112 0.000 1.048 423 K CA -0.104 56.147 56.287 -0.061 0.000 1.188 423 K CB 0.125 32.609 32.500 -0.026 0.000 0.910 423 K HN -0.014 nan 8.250 nan 0.000 0.483 424 S N 0.626 116.203 115.700 -0.207 0.000 3.550 424 S HA -0.229 4.240 4.470 -0.000 0.000 0.372 424 S C -0.462 174.042 174.600 -0.160 0.000 0.966 424 S CA 0.725 58.782 58.200 -0.239 0.000 1.229 424 S CB -0.956 62.139 63.200 -0.175 0.000 0.917 424 S HN 0.541 nan 8.310 nan 0.000 0.496 425 E N -0.113 120.003 120.200 -0.141 0.000 2.383 425 E HA 0.537 4.887 4.350 -0.000 0.000 0.275 425 E C -1.268 175.299 176.600 -0.054 0.000 0.918 425 E CA -0.706 55.644 56.400 -0.083 0.000 0.764 425 E CB 2.069 31.730 29.700 -0.065 0.000 1.252 425 E HN 0.236 nan 8.360 nan 0.000 0.449 426 S N 1.418 117.090 115.700 -0.047 0.000 2.498 426 S HA 0.470 4.940 4.470 -0.000 0.000 0.324 426 S C -0.957 173.597 174.600 -0.076 0.000 1.071 426 S CA -0.610 57.575 58.200 -0.024 0.000 1.113 426 S CB 1.102 64.297 63.200 -0.008 0.000 0.976 426 S HN 0.245 nan 8.310 nan 0.000 0.462 427 V N 4.104 123.956 119.914 -0.102 0.000 2.577 427 V HA 0.491 4.611 4.120 -0.000 0.000 0.303 427 V C -1.001 174.981 176.094 -0.186 0.000 1.042 427 V CA -0.838 61.286 62.300 -0.294 0.000 0.872 427 V CB 0.756 32.313 31.823 -0.442 0.000 0.998 427 V HN 0.893 nan 8.190 nan 0.000 0.423 428 F N 5.029 124.973 119.950 -0.011 0.000 2.807 428 F HA -0.102 4.425 4.527 -0.000 0.000 0.297 428 F C -1.276 174.497 175.800 -0.046 0.000 1.024 428 F CA 0.221 58.195 58.000 -0.044 0.000 1.008 428 F CB -1.627 37.342 39.000 -0.053 0.000 1.142 428 F HN 0.445 nan 8.300 nan 0.000 0.829 429 P HA -0.150 nan 4.420 nan 0.000 0.222 429 P C 1.185 178.508 177.300 0.039 0.000 1.147 429 P CA 1.537 64.676 63.100 0.065 0.000 0.790 429 P CB 0.275 32.006 31.700 0.052 0.000 0.780 430 E N 0.156 120.367 120.200 0.018 0.000 2.265 430 E HA -0.093 4.256 4.350 -0.000 0.000 0.196 430 E C 1.567 178.125 176.600 -0.070 0.000 0.996 430 E CA 1.010 57.380 56.400 -0.049 0.000 0.832 430 E CB -0.719 28.851 29.700 -0.218 0.000 0.756 430 E HN 0.280 nan 8.360 nan 0.000 0.491 431 V N -2.258 117.628 119.914 -0.048 0.000 3.177 431 V HA 0.176 4.296 4.120 -0.000 0.000 0.342 431 V C 0.618 176.688 176.094 -0.040 0.000 1.379 431 V CA -0.110 62.158 62.300 -0.054 0.000 1.191 431 V CB 0.266 32.051 31.823 -0.063 0.000 1.167 431 V HN -0.150 nan 8.190 nan 0.000 0.471 432 D N 1.648 122.031 120.400 -0.028 0.000 2.104 432 D HA -0.142 4.498 4.640 -0.000 0.000 0.194 432 D C 2.137 178.389 176.300 -0.079 0.000 0.994 432 D CA 1.819 55.789 54.000 -0.049 0.000 0.830 432 D CB -0.010 40.775 40.800 -0.025 0.000 0.959 432 D HN 0.438 nan 8.370 nan 0.000 0.452 433 V N 0.859 120.740 119.914 -0.056 0.000 2.358 433 V HA -0.188 3.932 4.120 -0.000 0.000 0.246 433 V C 2.418 178.475 176.094 -0.062 0.000 1.047 433 V CA 0.970 63.237 62.300 -0.055 0.000 1.035 433 V CB -0.440 31.363 31.823 -0.034 0.000 0.658 433 V HN 0.147 nan 8.190 nan 0.000 0.452 434 L N 0.235 121.424 121.223 -0.057 0.000 2.012 434 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 434 L C 2.372 179.196 176.870 -0.076 0.000 1.073 434 L CA 2.006 56.815 54.840 -0.051 0.000 0.748 434 L CB -0.652 41.382 42.059 -0.042 0.000 0.891 434 L HN 0.130 nan 8.230 nan 0.000 0.431 435 V N -0.030 119.821 119.914 -0.106 0.000 2.295 435 V HA -0.302 3.818 4.120 -0.000 0.000 0.246 435 V C 2.617 178.593 176.094 -0.197 0.000 1.049 435 V CA 2.015 64.213 62.300 -0.170 0.000 1.024 435 V CB -0.767 30.936 31.823 -0.200 0.000 0.648 435 V HN 0.635 nan 8.190 nan 0.000 0.447 436 E N 0.179 120.271 120.200 -0.180 0.000 2.058 436 E HA -0.257 4.093 4.350 -0.000 0.000 0.194 436 E C 2.145 178.668 176.600 -0.129 0.000 0.997 436 E CA 1.572 57.867 56.400 -0.176 0.000 0.801 436 E CB -0.062 29.551 29.700 -0.145 0.000 0.746 436 E HN 0.665 nan 8.360 nan 0.000 0.450 437 E N 0.025 120.169 120.200 -0.093 0.000 2.274 437 E HA -0.113 4.236 4.350 -0.000 0.000 0.194 437 E C 1.874 178.435 176.600 -0.065 0.000 0.996 437 E CA 0.562 56.925 56.400 -0.062 0.000 0.840 437 E CB 0.100 29.781 29.700 -0.031 0.000 0.772 437 E HN 0.416 nan 8.360 nan 0.000 0.491 438 L N 1.529 122.696 121.223 -0.094 0.000 2.628 438 L HA 0.038 4.378 4.340 -0.000 0.000 0.229 438 L C 2.335 179.112 176.870 -0.154 0.000 1.137 438 L CA -0.016 54.758 54.840 -0.111 0.000 0.909 438 L CB -0.195 41.783 42.059 -0.134 0.000 1.137 438 L HN 0.059 nan 8.230 nan 0.000 0.470 439 S N 0.302 115.911 115.700 -0.152 0.000 2.378 439 S HA -0.295 4.175 4.470 -0.000 0.000 0.229 439 S C 2.169 176.697 174.600 -0.119 0.000 1.052 439 S CA 2.061 60.165 58.200 -0.160 0.000 1.084 439 S CB -0.713 62.398 63.200 -0.149 0.000 0.950 439 S HN 0.560 nan 8.310 nan 0.000 0.440 440 S N 2.455 118.100 115.700 -0.091 0.000 2.383 440 S HA 0.049 4.519 4.470 -0.000 0.000 0.227 440 S C 1.931 176.488 174.600 -0.071 0.000 1.026 440 S CA 1.218 59.377 58.200 -0.069 0.000 0.981 440 S CB -0.921 62.242 63.200 -0.062 0.000 0.818 440 S HN 0.593 nan 8.310 nan 0.000 0.472 441 I N 1.812 122.325 120.570 -0.094 0.000 2.226 441 I HA -0.164 4.006 4.170 -0.000 0.000 0.245 441 I C 2.332 178.360 176.117 -0.148 0.000 1.100 441 I CA 1.210 62.446 61.300 -0.107 0.000 1.374 441 I CB -0.508 37.422 38.000 -0.117 0.000 1.057 441 I HN 0.241 nan 8.210 nan 0.000 0.413 442 L N 0.188 121.294 121.223 -0.195 0.000 2.131 442 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 442 L C 2.136 179.068 176.870 0.104 0.000 1.092 442 L CA 1.100 55.870 54.840 -0.117 0.000 0.759 442 L CB -0.765 41.168 42.059 -0.210 0.000 0.903 442 L HN 0.310 nan 8.230 nan 0.000 0.435 443 D N 0.200 120.631 120.400 0.052 0.000 2.097 443 D HA -0.179 4.460 4.640 -0.000 0.000 0.195 443 D C 1.700 178.025 176.300 0.041 0.000 0.989 443 D CA 1.337 55.387 54.000 0.083 0.000 0.827 443 D CB -0.180 40.639 40.800 0.032 0.000 0.966 443 D HN 0.335 nan 8.370 nan 0.000 0.456 444 D N 0.225 120.634 120.400 0.015 0.000 2.117 444 D HA -0.124 4.516 4.640 -0.000 0.000 0.197 444 D C 2.054 178.365 176.300 0.018 0.000 0.987 444 D CA 0.914 54.925 54.000 0.019 0.000 0.829 444 D CB -0.367 40.455 40.800 0.035 0.000 0.961 444 D HN 0.088 nan 8.370 nan 0.000 0.460 445 S N 0.379 116.090 115.700 0.017 0.000 2.368 445 S HA -0.105 4.365 4.470 -0.000 0.000 0.224 445 S C 2.094 176.672 174.600 -0.037 0.000 1.029 445 S CA 1.462 59.676 58.200 0.024 0.000 0.988 445 S CB -0.150 63.073 63.200 0.039 0.000 0.838 445 S HN 0.202 nan 8.310 nan 0.000 0.462 446 A N 0.771 123.542 122.820 -0.081 0.000 1.933 446 A HA -0.041 4.279 4.320 -0.000 0.000 0.218 446 A C 2.479 179.963 177.584 -0.166 0.000 1.175 446 A CA 2.115 53.988 52.037 -0.274 0.000 0.628 446 A CB -1.434 17.318 19.000 -0.413 0.000 0.814 446 A HN 0.651 nan 8.150 nan 0.000 0.444 447 S N -0.734 114.914 115.700 -0.086 0.000 2.368 447 S HA -0.144 4.326 4.470 -0.000 0.000 0.224 447 S C 2.345 176.909 174.600 -0.061 0.000 1.029 447 S CA 1.939 60.102 58.200 -0.062 0.000 0.988 447 S CB -0.454 62.727 63.200 -0.031 0.000 0.838 447 S HN 0.661 nan 8.310 nan 0.000 0.462 448 S N 1.376 117.046 115.700 -0.050 0.000 2.368 448 S HA -0.074 4.396 4.470 -0.000 0.000 0.224 448 S C 1.788 176.345 174.600 -0.073 0.000 1.029 448 S CA 1.446 59.615 58.200 -0.052 0.000 0.988 448 S CB -0.735 62.446 63.200 -0.031 0.000 0.838 448 S HN 0.640 nan 8.310 nan 0.000 0.462 449 N N 1.491 120.140 118.700 -0.086 0.000 2.244 449 N HA -0.056 4.684 4.740 -0.000 0.000 0.183 449 N C 1.682 177.129 175.510 -0.105 0.000 1.016 449 N CA 1.143 54.132 53.050 -0.102 0.000 0.866 449 N CB -0.540 37.873 38.487 -0.124 0.000 0.980 449 N HN 0.708 nan 8.380 nan 0.000 0.430 450 E N 1.286 121.420 120.200 -0.110 0.000 2.077 450 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 450 E C 1.336 177.892 176.600 -0.074 0.000 0.989 450 E CA 1.131 57.475 56.400 -0.093 0.000 0.800 450 E CB 0.139 29.785 29.700 -0.090 0.000 0.746 450 E HN 0.293 nan 8.360 nan 0.000 0.452 451 K N 0.125 120.482 120.400 -0.071 0.000 2.057 451 K HA -0.213 4.107 4.320 -0.000 0.000 0.207 451 K C 2.333 178.888 176.600 -0.074 0.000 1.049 451 K CA 1.479 57.727 56.287 -0.065 0.000 0.931 451 K CB -0.166 32.297 32.500 -0.062 0.000 0.714 451 K HN 0.018 nan 8.250 nan 0.000 0.440 452 Q N 1.491 121.238 119.800 -0.088 0.000 2.061 452 Q HA -0.148 4.192 4.340 -0.000 0.000 0.204 452 Q C 1.653 177.602 176.000 -0.085 0.000 0.984 452 Q CA 1.761 57.500 55.803 -0.106 0.000 0.846 452 Q CB -0.145 28.516 28.738 -0.129 0.000 0.902 452 Q HN 0.233 nan 8.270 nan 0.000 0.421 453 N N -0.251 118.406 118.700 -0.072 0.000 2.223 453 N HA -0.092 4.648 4.740 -0.000 0.000 0.185 453 N C 1.731 177.218 175.510 -0.038 0.000 1.016 453 N CA 1.202 54.221 53.050 -0.050 0.000 0.863 453 N CB -0.149 38.307 38.487 -0.052 0.000 0.983 453 N HN 0.357 nan 8.380 nan 0.000 0.429 454 I N 0.927 121.472 120.570 -0.042 0.000 2.202 454 I HA -0.202 3.968 4.170 -0.000 0.000 0.242 454 I C 2.272 178.372 176.117 -0.029 0.000 1.091 454 I CA 0.849 62.130 61.300 -0.032 0.000 1.368 454 I CB -0.280 37.699 38.000 -0.034 0.000 1.058 454 I HN 0.049 nan 8.210 nan 0.000 0.410 455 A N 0.472 123.267 122.820 -0.041 0.000 1.908 455 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 455 A C 1.836 179.402 177.584 -0.030 0.000 1.181 455 A CA 2.122 54.134 52.037 -0.042 0.000 0.627 455 A CB -0.538 18.424 19.000 -0.063 0.000 0.818 455 A HN 0.394 nan 8.150 nan 0.000 0.445 456 D N -1.387 118.997 120.400 -0.026 0.000 2.323 456 D HA 0.193 4.833 4.640 -0.000 0.000 0.209 456 D C 1.385 177.700 176.300 0.026 0.000 0.973 456 D CA 1.130 55.133 54.000 0.006 0.000 0.874 456 D CB -0.204 40.605 40.800 0.014 0.000 0.930 456 D HN 0.650 nan 8.370 nan 0.000 0.521 457 G N 1.513 110.320 108.800 0.012 0.000 2.160 457 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.244 457 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.244 457 G C -0.546 174.370 174.900 0.027 0.000 1.022 457 G CA -0.152 44.960 45.100 0.019 0.000 0.741 457 G HN 0.167 nan 8.290 nan 0.000 0.508 458 D N -0.045 120.367 120.400 0.021 0.000 2.232 458 D HA 0.556 5.195 4.640 -0.000 0.000 0.242 458 D C 0.257 176.566 176.300 0.014 0.000 1.093 458 D CA -0.059 53.957 54.000 0.026 0.000 0.845 458 D CB 2.019 42.835 40.800 0.026 0.000 1.124 458 D HN 0.157 nan 8.370 nan 0.000 0.467 459 V N 1.459 121.386 119.914 0.022 0.000 2.540 459 V HA 0.636 4.756 4.120 -0.000 0.000 0.302 459 V C -0.007 176.100 176.094 0.023 0.000 1.035 459 V CA -0.567 61.742 62.300 0.015 0.000 0.873 459 V CB 1.992 33.824 31.823 0.014 0.000 0.992 459 V HN 0.482 nan 8.190 nan 0.000 0.428 460 S N 3.438 119.146 115.700 0.014 0.000 2.556 460 S HA 0.708 5.178 4.470 -0.000 0.000 0.271 460 S C -2.856 171.751 174.600 0.012 0.000 1.135 460 S CA -0.873 57.341 58.200 0.023 0.000 0.858 460 S CB 2.297 65.515 63.200 0.030 0.000 1.114 460 S HN 0.689 nan 8.310 nan 0.000 0.468 461 P HA 0.497 nan 4.420 nan 0.000 0.269 461 P C 0.484 177.792 177.300 0.013 0.000 1.209 461 P CA 0.610 63.720 63.100 0.016 0.000 0.776 461 P CB -0.082 31.632 31.700 0.024 0.000 0.876 462 G N 1.287 110.091 108.800 0.007 0.000 2.796 462 G HA2 -0.162 3.797 3.960 -0.000 0.000 0.571 462 G HA3 -0.162 3.797 3.960 -0.000 0.000 0.571 462 G C -0.716 174.157 174.900 -0.046 0.000 1.370 462 G CA -0.810 44.295 45.100 0.008 0.000 0.856 462 G HN 0.637 nan 8.290 nan 0.000 0.538 463 K N -0.525 119.829 120.400 -0.077 0.000 2.138 463 K HA 0.527 4.846 4.320 -0.000 0.000 0.251 463 K C 0.282 176.648 176.600 -0.392 0.000 1.015 463 K CA 0.285 56.404 56.287 -0.279 0.000 0.917 463 K CB 1.219 33.467 32.500 -0.420 0.000 1.021 463 K HN 0.647 nan 8.250 nan 0.000 0.485 464 S N 1.304 116.671 115.700 -0.555 0.000 2.596 464 S HA 0.393 4.863 4.470 -0.000 0.000 0.318 464 S C -0.546 173.705 174.600 -0.582 0.000 1.097 464 S CA -0.759 57.197 58.200 -0.408 0.000 1.080 464 S CB 0.112 63.179 63.200 -0.222 0.000 0.991 464 S HN 0.457 nan 8.310 nan 0.000 0.471 465 F N 4.046 123.969 119.950 -0.045 0.000 2.647 465 F HA 0.408 4.935 4.527 -0.000 0.000 0.300 465 F C 0.477 176.299 175.800 0.037 0.000 1.106 465 F CA -0.497 57.483 58.000 -0.033 0.000 1.313 465 F CB 0.096 39.057 39.000 -0.065 0.000 1.007 465 F HN 0.326 nan 8.300 nan 0.000 0.536 466 L N 1.387 122.640 121.223 0.050 0.000 2.461 466 L HA 0.043 4.383 4.340 -0.000 0.000 0.272 466 L C 0.197 177.095 176.870 0.047 0.000 1.197 466 L CA -0.651 54.152 54.840 -0.062 0.000 0.836 466 L CB 0.415 42.321 42.059 -0.254 0.000 1.105 466 L HN 0.047 nan 8.230 nan 0.000 0.477 467 L N 6.239 127.405 121.223 -0.095 0.000 2.433 467 L HA 0.253 4.593 4.340 -0.000 0.000 0.275 467 L C -2.142 174.639 176.870 -0.149 0.000 1.128 467 L CA -1.201 53.481 54.840 -0.264 0.000 0.875 467 L CB 0.034 41.789 42.059 -0.506 0.000 1.171 467 L HN 0.276 nan 8.230 nan 0.000 0.463 468 P HA 0.105 nan 4.420 nan 0.000 0.267 468 P C -0.790 176.441 177.300 -0.114 0.000 1.205 468 P CA 0.127 63.178 63.100 -0.082 0.000 0.765 468 P CB 0.433 32.091 31.700 -0.070 0.000 0.828 469 M N 2.522 122.083 119.600 -0.065 0.000 2.264 469 M HA 0.338 4.818 4.480 -0.000 0.000 0.352 469 M C 1.214 177.497 176.300 -0.028 0.000 1.173 469 M CA -0.846 54.397 55.300 -0.095 0.000 1.075 469 M CB 1.130 33.707 32.600 -0.039 0.000 1.621 469 M HN 0.388 nan 8.290 nan 0.000 0.457 470 A N 2.715 125.396 122.820 -0.231 0.000 2.119 470 A HA 0.139 4.459 4.320 -0.000 0.000 0.216 470 A C 0.128 177.786 177.584 0.124 0.000 1.152 470 A CA 1.005 52.965 52.037 -0.127 0.000 0.708 470 A CB -0.067 18.717 19.000 -0.361 0.000 0.805 470 A HN 0.566 nan 8.150 nan 0.000 0.460 471 F N -2.005 117.894 119.950 -0.084 0.000 2.469 471 F HA 0.638 5.165 4.527 -0.000 0.000 0.332 471 F C 1.227 176.801 175.800 -0.376 0.000 1.103 471 F CA -1.625 56.197 58.000 -0.297 0.000 0.979 471 F CB 1.145 39.839 39.000 -0.512 0.000 1.137 471 F HN 0.034 nan 8.300 nan 0.000 0.463 472 A N 1.834 124.327 122.820 -0.546 0.000 1.933 472 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 472 A C 1.858 179.311 177.584 -0.219 0.000 1.175 472 A CA 1.741 53.357 52.037 -0.702 0.000 0.628 472 A CB -0.601 18.057 19.000 -0.569 0.000 0.814 472 A HN 0.730 nan 8.150 nan 0.000 0.444 473 E N -0.039 120.154 120.200 -0.012 0.000 2.489 473 E HA 0.298 4.648 4.350 -0.000 0.000 0.193 473 E C 1.077 177.716 176.600 0.065 0.000 1.057 473 E CA 0.879 57.322 56.400 0.073 0.000 0.866 473 E CB -0.944 28.837 29.700 0.136 0.000 0.916 473 E HN 0.904 nan 8.360 nan 0.000 0.500 474 G N 1.767 110.599 108.800 0.052 0.000 2.539 474 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.256 474 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.256 474 G C 0.074 175.022 174.900 0.081 0.000 1.233 474 G CA 0.716 45.832 45.100 0.028 0.000 0.936 474 G HN 0.825 nan 8.290 nan 0.000 0.571 475 S N 1.404 117.113 115.700 0.015 0.000 2.614 475 S HA 0.648 5.118 4.470 -0.000 0.000 0.265 475 S C -1.890 172.744 174.600 0.056 0.000 1.303 475 S CA -0.134 58.065 58.200 -0.001 0.000 1.000 475 S CB 1.526 64.673 63.200 -0.088 0.000 0.935 475 S HN 0.674 nan 8.310 nan 0.000 0.551 476 P HA 0.151 nan 4.420 nan 0.000 0.271 476 P C -0.524 176.801 177.300 0.042 0.000 1.244 476 P CA -0.284 62.813 63.100 -0.005 0.000 0.793 476 P CB 0.119 31.648 31.700 -0.285 0.000 0.984 477 F N 1.306 121.286 119.950 0.049 0.000 2.733 477 F HA 0.173 4.700 4.527 -0.000 0.000 0.344 477 F C 0.493 176.576 175.800 0.472 0.000 1.179 477 F CA 0.465 58.660 58.000 0.326 0.000 1.316 477 F CB -1.215 37.944 39.000 0.266 0.000 1.577 477 F HN 0.298 nan 8.300 nan 0.000 0.591 478 H N -1.835 117.290 119.070 0.090 0.000 3.068 478 H HA 0.491 5.047 4.556 -0.000 0.000 0.342 478 H C -3.248 171.446 175.328 -1.058 0.000 1.284 478 H CA -2.783 52.933 56.048 -0.553 0.000 1.181 478 H CB 0.548 30.236 29.762 -0.123 0.000 1.898 478 H HN -0.174 nan 8.280 nan 0.000 0.540 479 P HA -0.032 nan 4.420 nan 0.000 0.270 479 P C 0.652 177.847 177.300 -0.177 0.000 1.221 479 P CA 0.069 62.701 63.100 -0.780 0.000 0.788 479 P CB 0.775 32.132 31.700 -0.572 0.000 0.904 480 S N 0.042 115.783 115.700 0.068 0.000 2.436 480 S HA -0.054 4.416 4.470 -0.000 0.000 0.228 480 S C 0.094 174.953 174.600 0.432 0.000 1.014 480 S CA 0.605 58.968 58.200 0.273 0.000 0.950 480 S CB -0.453 62.965 63.200 0.363 0.000 0.784 480 S HN 0.481 nan 8.310 nan 0.000 0.504 481 Y N 0.896 121.275 120.300 0.132 0.000 2.326 481 Y HA 0.600 5.150 4.550 -0.000 0.000 0.329 481 Y C 0.370 176.281 175.900 0.018 0.000 0.973 481 Y CA -0.824 57.308 58.100 0.054 0.000 1.162 481 Y CB 0.681 39.128 38.460 -0.022 0.000 1.147 481 Y HN 0.068 nan 8.280 nan 0.000 0.456 482 G N 1.805 110.446 108.800 -0.265 0.000 2.630 482 G HA2 0.377 4.337 3.960 -0.000 0.000 0.223 482 G HA3 0.377 4.337 3.960 -0.000 0.000 0.223 482 G C -0.923 173.917 174.900 -0.100 0.000 1.434 482 G CA -0.590 44.303 45.100 -0.345 0.000 1.057 482 G HN 0.586 nan 8.290 nan 0.000 0.570 483 S N -1.680 113.906 115.700 -0.191 0.000 2.503 483 S HA 0.535 5.005 4.470 -0.000 0.000 0.301 483 S C 1.253 175.865 174.600 0.020 0.000 1.087 483 S CA 0.241 58.363 58.200 -0.130 0.000 1.042 483 S CB 1.370 64.209 63.200 -0.601 0.000 1.043 483 S HN 0.881 nan 8.310 nan 0.000 0.489 484 G N 1.994 110.893 108.800 0.166 0.000 2.394 484 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.215 484 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.215 484 G C 1.020 175.975 174.900 0.091 0.000 1.165 484 G CA 0.715 45.880 45.100 0.108 0.000 0.784 484 G HN 0.862 nan 8.290 nan 0.000 0.535 485 H N 0.737 119.882 119.070 0.125 0.000 2.321 485 H HA 0.108 4.664 4.556 -0.000 0.000 0.300 485 H C 2.838 178.221 175.328 0.090 0.000 1.087 485 H CA 1.715 57.851 56.048 0.147 0.000 1.319 485 H CB -0.041 29.831 29.762 0.184 0.000 1.379 485 H HN 0.394 nan 8.280 nan 0.000 0.501 486 A N -0.114 122.778 122.820 0.120 0.000 1.929 486 A HA -0.063 4.257 4.320 -0.000 0.000 0.216 486 A C 2.518 180.076 177.584 -0.042 0.000 1.176 486 A CA 1.225 53.263 52.037 0.002 0.000 0.628 486 A CB -0.772 18.166 19.000 -0.103 0.000 0.816 486 A HN 0.317 nan 8.150 nan 0.000 0.444 487 V N -0.307 119.583 119.914 -0.040 0.000 2.427 487 V HA -0.162 3.958 4.120 -0.000 0.000 0.248 487 V C 2.417 178.490 176.094 -0.034 0.000 1.051 487 V CA 2.148 64.420 62.300 -0.047 0.000 1.048 487 V CB -0.168 31.630 31.823 -0.042 0.000 0.666 487 V HN 0.330 nan 8.190 nan 0.000 0.456 488 V N 0.274 120.180 119.914 -0.013 0.000 2.379 488 V HA -0.137 3.983 4.120 -0.000 0.000 0.245 488 V C 2.753 178.752 176.094 -0.159 0.000 1.044 488 V CA 1.800 64.089 62.300 -0.019 0.000 1.036 488 V CB -1.055 30.802 31.823 0.058 0.000 0.664 488 V HN 0.609 nan 8.190 nan 0.000 0.453 489 A N 0.718 123.428 122.820 -0.185 0.000 1.883 489 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 489 A C 2.435 179.838 177.584 -0.301 0.000 1.186 489 A CA 2.144 53.888 52.037 -0.488 0.000 0.624 489 A CB -1.353 17.608 19.000 -0.066 0.000 0.822 489 A HN 0.519 nan 8.150 nan 0.000 0.444 490 G N -0.616 108.131 108.800 -0.089 0.000 2.446 490 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.217 490 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.217 490 G C 1.772 176.681 174.900 0.014 0.000 1.168 490 G CA 1.713 46.872 45.100 0.098 0.000 0.771 490 G HN 0.856 nan 8.290 nan 0.000 0.551 491 A N -0.229 122.554 122.820 -0.062 0.000 1.898 491 A HA -0.029 4.291 4.320 -0.000 0.000 0.216 491 A C 2.587 180.105 177.584 -0.110 0.000 1.181 491 A CA 1.797 53.788 52.037 -0.076 0.000 0.620 491 A CB -0.894 18.074 19.000 -0.053 0.000 0.819 491 A HN 0.436 nan 8.150 nan 0.000 0.442 492 C N -0.791 118.403 119.300 -0.178 0.000 2.440 492 C HA -0.024 4.436 4.460 -0.000 0.000 0.278 492 C C 2.799 177.704 174.990 -0.142 0.000 1.295 492 C CA 1.002 59.921 59.018 -0.166 0.000 1.738 492 C CB -1.163 26.448 27.740 -0.214 0.000 1.987 492 C HN 0.651 nan 8.230 nan 0.000 0.492 493 V N -0.616 119.185 119.914 -0.188 0.000 2.809 493 V HA -0.094 4.026 4.120 -0.000 0.000 0.256 493 V C 1.956 178.027 176.094 -0.039 0.000 1.080 493 V CA 2.443 64.720 62.300 -0.039 0.000 1.102 493 V CB -1.412 30.443 31.823 0.054 0.000 0.705 493 V HN 0.498 nan 8.190 nan 0.000 0.475 494 T N 1.427 115.916 114.554 -0.108 0.000 2.777 494 T HA -0.000 4.350 4.350 -0.000 0.000 0.266 494 T C 1.900 176.535 174.700 -0.109 0.000 1.040 494 T CA 1.934 63.931 62.100 -0.171 0.000 1.141 494 T CB -0.256 68.478 68.868 -0.222 0.000 0.868 494 T HN 0.376 nan 8.240 nan 0.000 0.444 495 I N 1.227 121.744 120.570 -0.089 0.000 2.179 495 I HA -0.062 4.108 4.170 -0.000 0.000 0.242 495 I C 2.337 178.473 176.117 0.031 0.000 1.088 495 I CA 1.270 62.523 61.300 -0.079 0.000 1.357 495 I CB -1.277 36.675 38.000 -0.080 0.000 1.051 495 I HN 0.271 nan 8.210 nan 0.000 0.409 496 L N 0.136 121.408 121.223 0.082 0.000 2.093 496 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 496 L C 2.529 179.569 176.870 0.284 0.000 1.085 496 L CA 1.275 56.256 54.840 0.236 0.000 0.755 496 L CB -0.542 41.602 42.059 0.142 0.000 0.904 496 L HN 0.217 nan 8.230 nan 0.000 0.435 497 K N 0.058 120.545 120.400 0.145 0.000 2.097 497 K HA -0.106 4.214 4.320 -0.000 0.000 0.205 497 K C 2.250 178.943 176.600 0.154 0.000 1.050 497 K CA 1.256 57.629 56.287 0.143 0.000 0.938 497 K CB -0.188 32.348 32.500 0.060 0.000 0.718 497 K HN 0.266 nan 8.250 nan 0.000 0.442 498 A N 0.640 123.513 122.820 0.088 0.000 1.898 498 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 498 A C 1.935 179.632 177.584 0.188 0.000 1.181 498 A CA 1.149 53.229 52.037 0.073 0.000 0.620 498 A CB -0.540 18.347 19.000 -0.188 0.000 0.819 498 A HN 0.242 nan 8.150 nan 0.000 0.442 499 F N -1.441 118.552 119.950 0.073 0.000 2.234 499 F HA 0.227 4.754 4.527 -0.000 0.000 0.296 499 F C 0.547 176.351 175.800 0.007 0.000 1.089 499 F CA 0.515 58.550 58.000 0.058 0.000 1.343 499 F CB 0.023 38.938 39.000 -0.142 0.000 1.040 499 F HN 0.107 nan 8.300 nan 0.000 0.498 500 F N -0.248 119.926 119.950 0.373 0.000 2.411 500 F HA 0.195 4.722 4.527 -0.000 0.000 0.324 500 F C 0.463 176.359 175.800 0.160 0.000 1.086 500 F CA -0.960 57.208 58.000 0.280 0.000 1.028 500 F CB 0.196 39.296 39.000 0.167 0.000 1.284 500 F HN -0.386 nan 8.300 nan 0.000 0.501 501 D N 1.228 121.823 120.400 0.326 0.000 2.455 501 D HA 0.215 4.855 4.640 -0.000 0.000 0.234 501 D C 0.887 177.342 176.300 0.259 0.000 1.224 501 D CA 0.143 54.276 54.000 0.221 0.000 0.999 501 D CB 0.707 41.610 40.800 0.172 0.000 1.072 501 D HN 0.583 nan 8.370 nan 0.000 0.514 502 A N 3.974 126.936 122.820 0.237 0.000 1.978 502 A HA -0.228 4.092 4.320 -0.000 0.000 0.220 502 A C 1.773 179.487 177.584 0.216 0.000 1.170 502 A CA 1.279 53.448 52.037 0.220 0.000 0.636 502 A CB -0.339 18.767 19.000 0.177 0.000 0.810 502 A HN 0.623 nan 8.150 nan 0.000 0.448 503 N N -1.828 116.994 118.700 0.203 0.000 2.398 503 N HA 0.156 4.896 4.740 -0.000 0.000 0.188 503 N C 0.153 175.786 175.510 0.205 0.000 1.122 503 N CA -0.355 52.801 53.050 0.175 0.000 0.866 503 N CB -0.061 38.506 38.487 0.133 0.000 0.970 503 N HN 0.518 nan 8.380 nan 0.000 0.462 504 F N 2.486 122.494 119.950 0.096 0.000 2.602 504 F HA -0.049 4.478 4.527 -0.000 0.000 0.367 504 F C 0.475 176.325 175.800 0.083 0.000 1.126 504 F CA -0.007 58.045 58.000 0.086 0.000 1.321 504 F CB 0.508 39.565 39.000 0.096 0.000 1.094 504 F HN 0.034 nan 8.300 nan 0.000 0.594 505 Q N 5.636 125.193 119.800 -0.406 0.000 2.230 505 Q HA 0.491 4.831 4.340 -0.000 0.000 0.253 505 Q C -0.899 174.961 176.000 -0.233 0.000 0.919 505 Q CA -0.691 54.972 55.803 -0.234 0.000 0.908 505 Q CB 2.072 30.684 28.738 -0.210 0.000 1.245 505 Q HN 0.588 nan 8.270 nan 0.000 0.437 506 I N 2.075 122.632 120.570 -0.022 0.000 2.330 506 I HA 0.118 4.288 4.170 -0.000 0.000 0.289 506 I C 0.051 176.165 176.117 -0.005 0.000 1.001 506 I CA -0.278 61.046 61.300 0.040 0.000 1.193 506 I CB 1.226 39.266 38.000 0.067 0.000 1.345 506 I HN 0.631 nan 8.210 nan 0.000 0.461 507 D N 4.057 124.450 120.400 -0.011 0.000 2.366 507 D HA 0.031 4.671 4.640 -0.000 0.000 0.205 507 D C 0.289 176.558 176.300 -0.053 0.000 1.022 507 D CA 0.651 54.629 54.000 -0.038 0.000 0.868 507 D CB 0.525 41.297 40.800 -0.046 0.000 0.953 507 D HN 0.556 nan 8.370 nan 0.000 0.514 508 Q N 1.075 120.856 119.800 -0.033 0.000 2.340 508 Q HA 0.437 4.777 4.340 -0.000 0.000 0.259 508 Q C -0.891 174.972 176.000 -0.228 0.000 0.964 508 Q CA -0.341 55.374 55.803 -0.148 0.000 0.900 508 Q CB 2.777 31.534 28.738 0.033 0.000 1.228 508 Q HN -0.151 nan 8.270 nan 0.000 0.449 509 V N 4.178 123.860 119.914 -0.387 0.000 2.409 509 V HA 0.513 4.633 4.120 -0.000 0.000 0.291 509 V C -0.736 175.093 176.094 -0.443 0.000 1.020 509 V CA -0.601 61.551 62.300 -0.246 0.000 0.848 509 V CB 0.597 32.401 31.823 -0.031 0.000 0.990 509 V HN 0.570 nan 8.190 nan 0.000 0.430 510 F N 2.116 122.081 119.950 0.024 0.000 2.579 510 F HA 0.731 5.258 4.527 -0.000 0.000 0.324 510 F C 0.447 176.253 175.800 0.010 0.000 1.058 510 F CA -0.669 57.349 58.000 0.029 0.000 0.944 510 F CB 1.999 41.031 39.000 0.053 0.000 1.245 510 F HN 0.419 nan 8.300 nan 0.000 0.477 511 E N -0.277 120.064 120.200 0.234 0.000 2.446 511 E HA 0.548 4.898 4.350 -0.000 0.000 0.276 511 E C -1.658 175.023 176.600 0.135 0.000 0.969 511 E CA -1.087 55.392 56.400 0.131 0.000 0.800 511 E CB 2.831 32.582 29.700 0.085 0.000 1.341 511 E HN 0.198 nan 8.360 nan 0.000 0.460 512 V N 1.618 121.591 119.914 0.098 0.000 2.498 512 V HA 0.049 4.169 4.120 -0.000 0.000 0.279 512 V C -0.028 176.120 176.094 0.089 0.000 1.048 512 V CA -0.231 62.126 62.300 0.094 0.000 0.967 512 V CB 1.104 32.982 31.823 0.093 0.000 0.988 512 V HN 0.677 nan 8.190 nan 0.000 0.473 513 D N 3.043 123.493 120.400 0.084 0.000 2.449 513 D HA 0.005 4.645 4.640 -0.000 0.000 0.236 513 D C 1.489 177.828 176.300 0.065 0.000 1.149 513 D CA 0.771 54.814 54.000 0.072 0.000 0.878 513 D CB 1.248 42.087 40.800 0.066 0.000 1.198 513 D HN 0.796 nan 8.370 nan 0.000 0.446 514 T N -0.541 114.048 114.554 0.058 0.000 3.035 514 T HA -0.068 4.281 4.350 -0.000 0.000 0.268 514 T C 0.751 175.478 174.700 0.044 0.000 1.109 514 T CA 0.810 62.942 62.100 0.052 0.000 1.119 514 T CB 0.120 69.017 68.868 0.049 0.000 0.900 514 T HN 0.392 nan 8.240 nan 0.000 0.503 515 D N 0.455 120.880 120.400 0.042 0.000 2.469 515 D HA 0.215 4.855 4.640 -0.000 0.000 0.240 515 D C 0.445 176.767 176.300 0.037 0.000 1.087 515 D CA 0.180 54.201 54.000 0.035 0.000 0.876 515 D CB 0.782 41.600 40.800 0.030 0.000 1.160 515 D HN 0.546 nan 8.370 nan 0.000 0.497 516 E N 0.665 120.890 120.200 0.042 0.000 2.263 516 E HA 0.203 4.553 4.350 -0.000 0.000 0.264 516 E C -1.016 175.613 176.600 0.049 0.000 0.923 516 E CA -0.670 55.755 56.400 0.042 0.000 0.802 516 E CB 1.887 31.611 29.700 0.040 0.000 1.228 516 E HN -0.247 nan 8.360 nan 0.000 0.417 517 D N 2.265 122.694 120.400 0.048 0.000 2.608 517 D HA 0.059 4.699 4.640 -0.000 0.000 0.224 517 D C -1.075 175.255 176.300 0.052 0.000 1.123 517 D CA 0.146 54.178 54.000 0.054 0.000 1.030 517 D CB -0.443 40.388 40.800 0.052 0.000 1.093 517 D HN 0.365 nan 8.370 nan 0.000 0.497 518 K N 0.558 120.991 120.400 0.055 0.000 2.579 518 K HA 0.407 4.727 4.320 -0.000 0.000 0.284 518 K C -1.259 175.379 176.600 0.064 0.000 0.990 518 K CA -1.009 55.310 56.287 0.053 0.000 0.880 518 K CB 0.709 33.240 32.500 0.052 0.000 1.488 518 K HN -0.002 nan 8.250 nan 0.000 0.425 519 L N 1.954 123.210 121.223 0.056 0.000 2.350 519 L HA 0.544 4.884 4.340 -0.000 0.000 0.275 519 L C -0.126 176.840 176.870 0.160 0.000 1.099 519 L CA -0.959 53.933 54.840 0.086 0.000 0.808 519 L CB 1.504 43.541 42.059 -0.037 0.000 1.149 519 L HN 0.588 nan 8.230 nan 0.000 0.442 520 V N -0.123 119.932 119.914 0.236 0.000 3.040 520 V HA 0.465 4.584 4.120 -0.000 0.000 0.312 520 V C -0.351 175.909 176.094 0.277 0.000 1.115 520 V CA -1.285 61.150 62.300 0.225 0.000 0.998 520 V CB 1.727 33.622 31.823 0.120 0.000 1.042 520 V HN 0.712 nan 8.190 nan 0.000 0.433 521 K N 1.953 122.437 120.400 0.140 0.000 2.451 521 K HA 0.243 4.563 4.320 -0.000 0.000 0.280 521 K C 0.450 177.027 176.600 -0.037 0.000 1.020 521 K CA 0.309 56.548 56.287 -0.080 0.000 1.008 521 K CB 0.717 33.140 32.500 -0.128 0.000 0.917 521 K HN 1.063 nan 8.250 nan 0.000 0.478 522 S N 2.042 117.699 115.700 -0.072 0.000 2.600 522 S HA 0.008 4.478 4.470 -0.000 0.000 0.265 522 S C 1.222 175.830 174.600 0.012 0.000 1.325 522 S CA 0.018 58.223 58.200 0.007 0.000 1.002 522 S CB 0.958 64.179 63.200 0.035 0.000 0.921 522 S HN 0.727 nan 8.310 nan 0.000 0.554 523 S N 2.787 118.517 115.700 0.049 0.000 2.461 523 S HA 0.060 4.530 4.470 -0.000 0.000 0.228 523 S C 0.447 175.083 174.600 0.059 0.000 1.005 523 S CA -0.166 58.057 58.200 0.038 0.000 0.942 523 S CB -0.535 62.692 63.200 0.045 0.000 0.776 523 S HN 0.650 nan 8.310 nan 0.000 0.514 524 F N 4.555 124.479 119.950 -0.044 0.000 2.543 524 F HA 0.346 4.873 4.527 -0.000 0.000 0.375 524 F C -1.669 174.092 175.800 -0.066 0.000 1.075 524 F CA -2.340 55.632 58.000 -0.046 0.000 1.225 524 F CB 0.811 39.784 39.000 -0.044 0.000 1.099 524 F HN -0.051 nan 8.300 nan 0.000 0.561 525 P HA 0.127 nan 4.420 nan 0.000 0.216 525 P C 0.376 177.450 177.300 -0.376 0.000 1.153 525 P CA 1.611 64.442 63.100 -0.448 0.000 0.848 525 P CB -0.200 31.230 31.700 -0.451 0.000 0.787 526 G N -0.502 107.934 108.800 -0.607 0.000 2.610 526 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.304 526 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.304 526 G C -2.743 172.067 174.900 -0.150 0.000 1.309 526 G CA -0.387 44.665 45.100 -0.080 0.000 0.906 526 G HN 0.247 nan 8.290 nan 0.000 0.521 527 P HA 0.678 nan 4.420 nan 0.000 0.279 527 P C -0.178 177.193 177.300 0.118 0.000 1.276 527 P CA -0.478 62.633 63.100 0.018 0.000 0.801 527 P CB 0.951 32.632 31.700 -0.032 0.000 1.127 528 L N -0.440 120.838 121.223 0.092 0.000 2.286 528 L HA 0.547 4.887 4.340 -0.000 0.000 0.265 528 L C 0.919 177.829 176.870 0.066 0.000 1.012 528 L CA -0.688 54.204 54.840 0.087 0.000 0.818 528 L CB 1.861 43.942 42.059 0.036 0.000 1.337 528 L HN 0.485 nan 8.230 nan 0.000 0.438 529 T N -2.731 111.873 114.554 0.082 0.000 2.940 529 T HA 0.362 4.712 4.350 -0.000 0.000 0.288 529 T C 0.954 175.755 174.700 0.167 0.000 1.033 529 T CA -0.784 61.387 62.100 0.119 0.000 1.033 529 T CB 1.762 70.701 68.868 0.119 0.000 1.079 529 T HN 0.186 nan 8.240 nan 0.000 0.496 530 V N 1.714 121.772 119.914 0.240 0.000 2.287 530 V HA -0.162 3.958 4.120 -0.000 0.000 0.248 530 V C 3.107 179.355 176.094 0.257 0.000 1.053 530 V CA 2.579 65.061 62.300 0.303 0.000 1.027 530 V CB -1.554 30.433 31.823 0.273 0.000 0.646 530 V HN 1.092 nan 8.190 nan 0.000 0.447 531 A N 0.360 123.300 122.820 0.200 0.000 1.883 531 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 531 A C 2.432 180.119 177.584 0.173 0.000 1.186 531 A CA 2.134 54.276 52.037 0.174 0.000 0.624 531 A CB -1.309 17.781 19.000 0.149 0.000 0.822 531 A HN 0.547 nan 8.150 nan 0.000 0.444 532 G N -0.705 108.182 108.800 0.146 0.000 2.421 532 G HA2 -0.186 3.773 3.960 -0.000 0.000 0.216 532 G HA3 -0.186 3.773 3.960 -0.000 0.000 0.216 532 G C 1.376 176.337 174.900 0.101 0.000 1.171 532 G CA 0.974 46.139 45.100 0.108 0.000 0.775 532 G HN 0.478 nan 8.290 nan 0.000 0.543 533 E N 0.219 120.493 120.200 0.125 0.000 2.274 533 E HA 0.066 4.416 4.350 -0.000 0.000 0.194 533 E C 2.624 179.398 176.600 0.289 0.000 0.996 533 E CA 0.178 56.643 56.400 0.108 0.000 0.840 533 E CB -0.068 29.587 29.700 -0.074 0.000 0.772 533 E HN 0.439 nan 8.360 nan 0.000 0.491 534 L N 0.863 122.290 121.223 0.339 0.000 2.095 534 L HA -0.113 4.227 4.340 -0.000 0.000 0.204 534 L C 2.019 179.021 176.870 0.221 0.000 1.080 534 L CA 0.658 55.666 54.840 0.279 0.000 0.759 534 L CB -0.296 41.872 42.059 0.182 0.000 0.914 534 L HN 0.039 nan 8.230 nan 0.000 0.439 535 N N 0.427 119.248 118.700 0.202 0.000 2.084 535 N HA -0.213 4.527 4.740 -0.000 0.000 0.190 535 N C 1.729 177.296 175.510 0.094 0.000 1.030 535 N CA 1.189 54.352 53.050 0.189 0.000 0.849 535 N CB -0.172 38.437 38.487 0.202 0.000 1.012 535 N HN 0.236 nan 8.380 nan 0.000 0.423 536 K N 0.470 120.906 120.400 0.060 0.000 2.063 536 K HA -0.133 4.187 4.320 -0.000 0.000 0.208 536 K C 1.943 178.540 176.600 -0.005 0.000 1.048 536 K CA 0.873 57.148 56.287 -0.019 0.000 0.928 536 K CB -0.214 32.243 32.500 -0.072 0.000 0.713 536 K HN 0.037 nan 8.250 nan 0.000 0.442 537 L N 0.986 122.257 121.223 0.079 0.000 2.017 537 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 537 L C 2.237 179.201 176.870 0.155 0.000 1.073 537 L CA 2.119 57.021 54.840 0.103 0.000 0.745 537 L CB -0.814 41.372 42.059 0.212 0.000 0.894 537 L HN 0.240 nan 8.230 nan 0.000 0.432 538 A N -0.747 122.191 122.820 0.198 0.000 1.873 538 A HA -0.271 4.049 4.320 -0.000 0.000 0.218 538 A C 2.096 179.727 177.584 0.079 0.000 1.193 538 A CA 2.131 54.266 52.037 0.163 0.000 0.629 538 A CB -1.012 18.027 19.000 0.064 0.000 0.826 538 A HN 0.550 nan 8.150 nan 0.000 0.447 539 D N -0.421 119.991 120.400 0.021 0.000 2.144 539 D HA -0.120 4.520 4.640 -0.000 0.000 0.199 539 D C 1.820 178.138 176.300 0.029 0.000 0.984 539 D CA 1.275 55.278 54.000 0.004 0.000 0.834 539 D CB -0.555 40.233 40.800 -0.019 0.000 0.955 539 D HN 0.656 nan 8.370 nan 0.000 0.465 540 N N -0.158 118.542 118.700 0.000 0.000 2.043 540 N HA -0.138 4.602 4.740 -0.000 0.000 0.193 540 N C 1.942 177.482 175.510 0.051 0.000 1.037 540 N CA 1.041 54.095 53.050 0.007 0.000 0.851 540 N CB 0.088 38.521 38.487 -0.090 0.000 1.027 540 N HN -0.027 nan 8.380 nan 0.000 0.422 541 V N 1.251 121.202 119.914 0.062 0.000 2.358 541 V HA -0.195 3.925 4.120 -0.000 0.000 0.246 541 V C 2.327 178.522 176.094 0.168 0.000 1.047 541 V CA 1.873 64.258 62.300 0.141 0.000 1.035 541 V CB -0.870 31.108 31.823 0.258 0.000 0.658 541 V HN 0.356 nan 8.190 nan 0.000 0.452 542 A N 0.257 123.159 122.820 0.137 0.000 1.877 542 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 542 A C 2.111 179.740 177.584 0.075 0.000 1.186 542 A CA 1.713 53.801 52.037 0.085 0.000 0.620 542 A CB -0.465 18.544 19.000 0.016 0.000 0.822 542 A HN 0.398 nan 8.150 nan 0.000 0.443 543 I N 0.197 120.828 120.570 0.102 0.000 2.546 543 I HA -0.135 4.035 4.170 -0.000 0.000 0.255 543 I C 2.623 178.822 176.117 0.136 0.000 1.163 543 I CA 1.242 62.630 61.300 0.147 0.000 1.457 543 I CB -2.005 36.138 38.000 0.237 0.000 1.092 543 I HN 0.354 nan 8.210 nan 0.000 0.434 544 G N 1.447 110.329 108.800 0.137 0.000 2.475 544 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.220 544 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.220 544 G C 1.776 176.711 174.900 0.058 0.000 1.125 544 G CA 0.340 45.515 45.100 0.125 0.000 0.755 544 G HN 0.250 nan 8.290 nan 0.000 0.565 545 R N 0.506 121.032 120.500 0.042 0.000 2.115 545 R HA 0.003 4.342 4.340 -0.000 0.000 0.226 545 R C 2.247 178.530 176.300 -0.027 0.000 1.100 545 R CA 0.943 57.049 56.100 0.011 0.000 0.980 545 R CB -0.762 29.599 30.300 0.101 0.000 0.875 545 R HN 0.310 nan 8.270 nan 0.000 0.445 546 N N 1.093 119.802 118.700 0.016 0.000 2.084 546 N HA -0.089 4.651 4.740 -0.000 0.000 0.190 546 N C 1.838 177.278 175.510 -0.116 0.000 1.030 546 N CA 1.297 54.333 53.050 -0.023 0.000 0.849 546 N CB -0.305 38.219 38.487 0.063 0.000 1.012 546 N HN 0.168 nan 8.380 nan 0.000 0.423 547 M N 0.158 119.700 119.600 -0.097 0.000 2.267 547 M HA -0.092 4.388 4.480 -0.000 0.000 0.263 547 M C 1.821 177.984 176.300 -0.229 0.000 1.063 547 M CA 1.373 56.582 55.300 -0.152 0.000 1.090 547 M CB -0.154 32.414 32.600 -0.055 0.000 1.392 547 M HN 0.186 nan 8.290 nan 0.000 0.422 548 A N -0.619 122.013 122.820 -0.313 0.000 2.123 548 A HA 0.316 4.636 4.320 -0.000 0.000 0.214 548 A C 1.720 178.973 177.584 -0.552 0.000 1.152 548 A CA 1.000 52.666 52.037 -0.617 0.000 0.728 548 A CB -0.536 17.802 19.000 -1.105 0.000 0.814 548 A HN 0.628 nan 8.150 nan 0.000 0.464 549 G N -1.457 107.115 108.800 -0.381 0.000 2.131 549 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.223 549 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.223 549 G C 0.811 175.501 174.900 -0.350 0.000 0.990 549 G CA 0.742 45.637 45.100 -0.341 0.000 0.671 549 G HN 1.574 nan 8.290 nan 0.000 0.521 550 V N -3.920 115.789 119.914 -0.341 0.000 3.643 550 V HA 0.527 4.647 4.120 -0.000 0.000 0.280 550 V C 0.694 176.469 176.094 -0.532 0.000 1.351 550 V CA 0.570 62.646 62.300 -0.373 0.000 1.073 550 V CB -0.005 31.645 31.823 -0.289 0.000 0.863 550 V HN 0.399 nan 8.190 nan 0.000 0.436 551 H N -0.981 117.952 119.070 -0.228 0.000 2.985 551 H HA 0.629 5.185 4.556 -0.000 0.000 0.360 551 H C -1.627 173.563 175.328 -0.230 0.000 1.221 551 H CA -0.595 55.348 56.048 -0.175 0.000 1.121 551 H CB 2.008 31.756 29.762 -0.023 0.000 1.854 551 H HN 0.238 nan 8.280 nan 0.000 0.551 552 Y N -0.248 120.188 120.300 0.227 0.000 2.534 552 Y HA 0.098 4.648 4.550 -0.000 0.000 0.329 552 Y C 1.462 177.476 175.900 0.189 0.000 1.154 552 Y CA -0.799 57.401 58.100 0.167 0.000 1.192 552 Y CB 0.706 39.244 38.460 0.130 0.000 1.275 552 Y HN 0.558 nan 8.280 nan 0.000 0.491 553 F N 1.318 121.426 119.950 0.264 0.000 2.087 553 F HA -0.327 4.200 4.527 -0.000 0.000 0.299 553 F C 2.411 178.343 175.800 0.220 0.000 1.100 553 F CA 2.497 60.624 58.000 0.211 0.000 1.226 553 F CB -0.403 38.708 39.000 0.186 0.000 0.983 553 F HN 0.541 nan 8.300 nan 0.000 0.479 554 S N -0.692 115.198 115.700 0.316 0.000 2.423 554 S HA -0.179 4.291 4.470 -0.000 0.000 0.231 554 S C 1.666 176.412 174.600 0.244 0.000 1.014 554 S CA 1.199 59.559 58.200 0.267 0.000 0.965 554 S CB -0.682 62.651 63.200 0.221 0.000 0.785 554 S HN 0.426 nan 8.310 nan 0.000 0.495 555 D N 1.686 122.243 120.400 0.261 0.000 2.117 555 D HA -0.071 4.568 4.640 -0.000 0.000 0.197 555 D C 2.258 178.470 176.300 -0.147 0.000 0.987 555 D CA 1.173 55.251 54.000 0.130 0.000 0.829 555 D CB -0.260 40.650 40.800 0.183 0.000 0.961 555 D HN 0.381 nan 8.370 nan 0.000 0.460 556 Q N -0.259 119.444 119.800 -0.162 0.000 2.020 556 Q HA -0.050 4.290 4.340 -0.000 0.000 0.198 556 Q C 2.177 178.041 176.000 -0.227 0.000 0.974 556 Q CA 0.499 56.165 55.803 -0.229 0.000 0.829 556 Q CB -0.938 27.672 28.738 -0.214 0.000 0.894 556 Q HN 0.327 nan 8.270 nan 0.000 0.433 557 F N 2.540 122.240 119.950 -0.417 0.000 2.095 557 F HA -0.187 4.340 4.527 -0.000 0.000 0.298 557 F C 1.980 177.672 175.800 -0.180 0.000 1.104 557 F CA 1.475 59.276 58.000 -0.332 0.000 1.232 557 F CB 0.124 38.917 39.000 -0.345 0.000 0.987 557 F HN 0.036 nan 8.300 nan 0.000 0.475 558 E N -0.131 119.980 120.200 -0.149 0.000 2.150 558 E HA -0.125 4.225 4.350 -0.000 0.000 0.193 558 E C 2.405 178.830 176.600 -0.291 0.000 0.985 558 E CA 1.229 57.499 56.400 -0.216 0.000 0.814 558 E CB -0.596 29.061 29.700 -0.072 0.000 0.752 558 E HN 0.361 nan 8.360 nan 0.000 0.466 559 S N 1.055 116.577 115.700 -0.297 0.000 2.402 559 S HA -0.047 4.423 4.470 -0.000 0.000 0.229 559 S C 2.128 176.608 174.600 -0.200 0.000 1.021 559 S CA 0.540 58.593 58.200 -0.245 0.000 0.974 559 S CB -0.122 62.938 63.200 -0.233 0.000 0.800 559 S HN 0.163 nan 8.310 nan 0.000 0.484 560 L N 1.061 122.124 121.223 -0.267 0.000 2.056 560 L HA -0.060 4.280 4.340 -0.000 0.000 0.207 560 L C 2.183 178.988 176.870 -0.108 0.000 1.078 560 L CA 1.022 55.719 54.840 -0.237 0.000 0.749 560 L CB -0.546 41.227 42.059 -0.475 0.000 0.901 560 L HN 0.289 nan 8.230 nan 0.000 0.433 561 L N -0.826 120.246 121.223 -0.252 0.000 2.083 561 L HA -0.228 4.112 4.340 -0.000 0.000 0.209 561 L C 2.566 179.416 176.870 -0.034 0.000 1.083 561 L CA 0.785 55.569 54.840 -0.093 0.000 0.752 561 L CB -0.511 41.421 42.059 -0.211 0.000 0.899 561 L HN 0.275 nan 8.230 nan 0.000 0.433 562 L N 0.393 121.571 121.223 -0.075 0.000 2.056 562 L HA -0.053 4.287 4.340 -0.000 0.000 0.207 562 L C 2.364 179.219 176.870 -0.025 0.000 1.078 562 L CA 2.026 56.839 54.840 -0.045 0.000 0.749 562 L CB -0.956 41.064 42.059 -0.065 0.000 0.901 562 L HN 0.112 nan 8.230 nan 0.000 0.433 563 G N -1.210 107.576 108.800 -0.023 0.000 2.418 563 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.217 563 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.217 563 G C 1.467 176.361 174.900 -0.010 0.000 1.158 563 G CA 0.739 45.831 45.100 -0.013 0.000 0.771 563 G HN 0.547 nan 8.290 nan 0.000 0.545 564 E N 0.207 120.421 120.200 0.023 0.000 2.070 564 E HA -0.251 4.099 4.350 -0.000 0.000 0.197 564 E C 2.490 179.051 176.600 -0.065 0.000 1.004 564 E CA 1.482 57.847 56.400 -0.058 0.000 0.805 564 E CB -0.173 29.474 29.700 -0.088 0.000 0.744 564 E HN 0.601 nan 8.360 nan 0.000 0.451 565 Q N -0.126 119.654 119.800 -0.032 0.000 2.061 565 Q HA -0.183 4.157 4.340 -0.000 0.000 0.204 565 Q C 2.314 178.298 176.000 -0.027 0.000 0.984 565 Q CA 1.487 57.275 55.803 -0.026 0.000 0.846 565 Q CB -0.072 28.661 28.738 -0.009 0.000 0.902 565 Q HN 0.396 nan 8.270 nan 0.000 0.421 566 I N 0.671 121.226 120.570 -0.024 0.000 2.179 566 I HA -0.248 3.922 4.170 -0.000 0.000 0.242 566 I C 2.355 178.454 176.117 -0.030 0.000 1.088 566 I CA 1.444 62.731 61.300 -0.022 0.000 1.357 566 I CB -1.555 36.434 38.000 -0.017 0.000 1.051 566 I HN 0.159 nan 8.210 nan 0.000 0.409 567 A N 1.006 123.799 122.820 -0.046 0.000 1.902 567 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 567 A C 2.410 179.955 177.584 -0.066 0.000 1.181 567 A CA 1.370 53.370 52.037 -0.062 0.000 0.623 567 A CB -0.785 18.163 19.000 -0.088 0.000 0.818 567 A HN 0.359 nan 8.150 nan 0.000 0.443 568 I N -0.321 120.210 120.570 -0.066 0.000 2.163 568 I HA -0.237 3.933 4.170 -0.000 0.000 0.243 568 I C 2.691 178.792 176.117 -0.026 0.000 1.085 568 I CA 1.257 62.525 61.300 -0.053 0.000 1.347 568 I CB -0.560 37.409 38.000 -0.052 0.000 1.044 568 I HN 0.414 nan 8.210 nan 0.000 0.408 569 G N 0.781 109.569 108.800 -0.020 0.000 2.432 569 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.219 569 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.219 569 G C 1.682 176.583 174.900 0.001 0.000 1.135 569 G CA 0.556 45.652 45.100 -0.008 0.000 0.767 569 G HN 0.326 nan 8.290 nan 0.000 0.550 570 I N 0.214 120.782 120.570 -0.003 0.000 2.179 570 I HA -0.124 4.045 4.170 -0.000 0.000 0.242 570 I C 2.714 178.853 176.117 0.037 0.000 1.088 570 I CA 0.703 62.010 61.300 0.011 0.000 1.357 570 I CB -0.203 37.798 38.000 0.001 0.000 1.051 570 I HN 0.132 nan 8.210 nan 0.000 0.409 571 L N 0.319 121.553 121.223 0.018 0.000 2.046 571 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 571 L C 2.513 179.454 176.870 0.118 0.000 1.077 571 L CA 1.524 56.401 54.840 0.063 0.000 0.747 571 L CB -0.610 41.428 42.059 -0.035 0.000 0.896 571 L HN 0.279 nan 8.230 nan 0.000 0.432 572 E N 0.037 120.276 120.200 0.065 0.000 2.058 572 E HA -0.253 4.097 4.350 -0.000 0.000 0.194 572 E C 2.105 178.740 176.600 0.058 0.000 0.997 572 E CA 1.406 57.840 56.400 0.057 0.000 0.801 572 E CB -0.055 29.659 29.700 0.024 0.000 0.746 572 E HN 0.502 nan 8.360 nan 0.000 0.450 573 E N 0.647 120.873 120.200 0.043 0.000 2.077 573 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 573 E C 2.109 178.735 176.600 0.044 0.000 0.989 573 E CA 0.818 57.234 56.400 0.027 0.000 0.800 573 E CB 0.020 29.726 29.700 0.011 0.000 0.746 573 E HN 0.260 nan 8.360 nan 0.000 0.452 574 Q N 0.116 119.971 119.800 0.091 0.000 2.364 574 Q HA -0.096 4.244 4.340 -0.000 0.000 0.207 574 Q C 2.193 178.316 176.000 0.204 0.000 0.970 574 Q CA 1.180 57.058 55.803 0.124 0.000 0.888 574 Q CB 0.060 28.932 28.738 0.223 0.000 0.951 574 Q HN 0.226 nan 8.270 nan 0.000 0.469 575 S N 0.158 116.008 115.700 0.251 0.000 2.474 575 S HA -0.065 4.405 4.470 -0.000 0.000 0.235 575 S C 1.729 176.436 174.600 0.178 0.000 0.997 575 S CA 0.578 58.955 58.200 0.296 0.000 0.949 575 S CB -0.255 63.027 63.200 0.136 0.000 0.766 575 S HN 0.331 nan 8.310 nan 0.000 0.517 576 L N 1.975 123.239 121.223 0.069 0.000 2.478 576 L HA 0.034 4.374 4.340 -0.000 0.000 0.223 576 L C 2.748 179.603 176.870 -0.025 0.000 1.140 576 L CA 1.205 56.056 54.840 0.019 0.000 0.842 576 L CB -0.838 41.214 42.059 -0.010 0.000 0.953 576 L HN 0.590 nan 8.230 nan 0.000 0.452 577 T N -4.172 110.307 114.554 -0.126 0.000 3.057 577 T HA -0.006 4.344 4.350 -0.000 0.000 0.254 577 T C 0.445 174.980 174.700 -0.275 0.000 1.094 577 T CA 0.007 61.952 62.100 -0.258 0.000 1.088 577 T CB -0.198 68.427 68.868 -0.405 0.000 0.934 577 T HN 0.006 nan 8.240 nan 0.000 0.497 578 Y N 0.883 121.279 120.300 0.159 0.000 2.310 578 Y HA 0.642 5.192 4.550 -0.000 0.000 0.326 578 Y C 1.597 177.600 175.900 0.172 0.000 1.151 578 Y CA -0.795 57.443 58.100 0.230 0.000 1.195 578 Y CB 1.249 40.000 38.460 0.486 0.000 1.210 578 Y HN 0.066 nan 8.280 nan 0.000 0.483 579 G N 1.195 110.185 108.800 0.316 0.000 2.838 579 G HA2 0.029 3.989 3.960 -0.000 0.000 0.210 579 G HA3 0.029 3.989 3.960 -0.000 0.000 0.210 579 G C 0.122 175.145 174.900 0.205 0.000 1.153 579 G CA -0.118 45.103 45.100 0.201 0.000 0.778 579 G HN 0.525 nan 8.290 nan 0.000 0.539 580 E N 0.363 120.734 120.200 0.285 0.000 2.409 580 E HA 0.226 4.576 4.350 -0.000 0.000 0.257 580 E C -0.055 176.639 176.600 0.158 0.000 1.150 580 E CA -0.251 56.245 56.400 0.159 0.000 0.942 580 E CB 0.598 30.289 29.700 -0.015 0.000 0.979 580 E HN 0.190 nan 8.360 nan 0.000 0.447 581 N N 2.041 120.758 118.700 0.028 0.000 2.527 581 N HA 0.314 5.054 4.740 -0.000 0.000 0.236 581 N C -1.683 173.822 175.510 -0.009 0.000 0.999 581 N CA -0.378 52.668 53.050 -0.006 0.000 0.935 581 N CB -0.218 38.251 38.487 -0.030 0.000 1.132 581 N HN 0.440 nan 8.380 nan 0.000 0.511 582 F N 1.371 121.171 119.950 -0.250 0.000 3.052 582 F HA 0.767 5.294 4.527 -0.000 0.000 0.323 582 F C -2.073 173.615 175.800 -0.186 0.000 1.178 582 F CA -1.493 56.280 58.000 -0.378 0.000 0.892 582 F CB 0.819 39.365 39.000 -0.757 0.000 1.416 582 F HN 0.102 nan 8.300 nan 0.000 0.488 583 F N -0.972 118.695 119.950 -0.472 0.000 2.741 583 F HA 0.763 5.290 4.527 -0.000 0.000 0.311 583 F C -2.397 173.217 175.800 -0.309 0.000 1.149 583 F CA -1.886 55.801 58.000 -0.521 0.000 0.930 583 F CB 0.971 39.794 39.000 -0.296 0.000 1.312 583 F HN 0.447 nan 8.300 nan 0.000 0.450 584 F N 1.928 121.897 119.950 0.031 0.000 2.408 584 F HA 0.380 4.906 4.527 -0.000 0.000 0.344 584 F C 0.224 176.125 175.800 0.169 0.000 1.112 584 F CA -0.481 57.511 58.000 -0.014 0.000 1.096 584 F CB 1.465 40.459 39.000 -0.010 0.000 1.129 584 F HN 0.664 nan 8.300 nan 0.000 0.486 585 N N 3.884 122.748 118.700 0.274 0.000 2.439 585 N HA 0.434 5.174 4.740 -0.000 0.000 0.249 585 N C -1.647 173.969 175.510 0.176 0.000 1.003 585 N CA -0.488 52.723 53.050 0.269 0.000 0.942 585 N CB 0.581 39.193 38.487 0.209 0.000 1.115 585 N HN 0.520 nan 8.380 nan 0.000 0.505 586 L N 5.813 127.116 121.223 0.133 0.000 2.342 586 L HA 0.665 5.005 4.340 -0.000 0.000 0.276 586 L C -2.664 174.222 176.870 0.027 0.000 0.997 586 L CA -2.347 52.530 54.840 0.061 0.000 0.838 586 L CB 1.317 43.385 42.059 0.015 0.000 1.224 586 L HN 0.451 nan 8.230 nan 0.000 0.416 587 P HA 0.188 nan 4.420 nan 0.000 0.274 587 P C -0.861 176.411 177.300 -0.046 0.000 1.291 587 P CA -0.002 63.111 63.100 0.021 0.000 0.815 587 P CB 0.313 32.046 31.700 0.056 0.000 0.897 588 K N 2.041 122.406 120.400 -0.058 0.000 2.118 588 K HA 0.214 4.534 4.320 -0.000 0.000 0.240 588 K C 0.908 177.473 176.600 -0.057 0.000 1.035 588 K CA -0.417 55.781 56.287 -0.148 0.000 0.899 588 K CB 0.135 32.589 32.500 -0.076 0.000 1.085 588 K HN 0.173 nan 8.250 nan 0.000 0.498 589 F N 1.503 121.472 119.950 0.033 0.000 2.269 589 F HA -0.141 4.386 4.527 -0.000 0.000 0.301 589 F C 1.711 177.560 175.800 0.081 0.000 1.082 589 F CA 1.194 59.225 58.000 0.051 0.000 1.360 589 F CB -0.569 38.443 39.000 0.021 0.000 1.041 589 F HN 0.599 nan 8.300 nan 0.000 0.512 590 D N -1.427 119.110 120.400 0.228 0.000 2.349 590 D HA 0.156 4.796 4.640 -0.000 0.000 0.224 590 D C 1.912 178.291 176.300 0.133 0.000 1.029 590 D CA 0.843 54.951 54.000 0.179 0.000 0.879 590 D CB -0.343 40.541 40.800 0.139 0.000 0.906 590 D HN 0.328 nan 8.370 nan 0.000 0.528 591 G N -0.183 108.689 108.800 0.121 0.000 2.195 591 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.246 591 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.246 591 G C 0.494 175.435 174.900 0.068 0.000 0.984 591 G CA 0.493 45.649 45.100 0.094 0.000 0.633 591 G HN 0.823 nan 8.290 nan 0.000 0.525 592 T N -1.565 113.023 114.554 0.057 0.000 2.927 592 T HA 0.692 5.042 4.350 -0.000 0.000 0.281 592 T C -0.059 174.659 174.700 0.030 0.000 0.998 592 T CA 0.323 62.447 62.100 0.040 0.000 1.019 592 T CB 2.406 71.294 68.868 0.034 0.000 1.061 592 T HN 0.267 nan 8.240 nan 0.000 0.518 593 T N 1.744 116.315 114.554 0.029 0.000 2.855 593 T HA 0.606 4.956 4.350 -0.000 0.000 0.281 593 T C -0.640 174.070 174.700 0.018 0.000 1.007 593 T CA -0.619 61.499 62.100 0.031 0.000 1.009 593 T CB 0.782 69.679 68.868 0.049 0.000 0.983 593 T HN 0.702 nan 8.240 nan 0.000 0.455 594 I N 2.480 123.061 120.570 0.018 0.000 2.474 594 I HA 0.420 4.590 4.170 -0.000 0.000 0.294 594 I C -0.819 175.322 176.117 0.040 0.000 1.005 594 I CA -0.779 60.526 61.300 0.008 0.000 1.113 594 I CB 1.646 39.645 38.000 -0.003 0.000 1.289 594 I HN 0.547 nan 8.210 nan 0.000 0.436 595 Q N 7.295 127.093 119.800 -0.004 0.000 2.372 595 Q HA 0.538 4.878 4.340 -0.000 0.000 0.259 595 Q C -0.970 175.031 176.000 0.002 0.000 0.993 595 Q CA -0.371 55.436 55.803 0.007 0.000 0.854 595 Q CB 2.262 30.800 28.738 -0.333 0.000 1.231 595 Q HN 0.576 nan 8.270 nan 0.000 0.462 596 I N 0.000 120.650 120.570 0.134 0.000 2.984 596 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 596 I CA 0.000 61.359 61.300 0.099 0.000 1.566 596 I CB 0.000 38.094 38.000 0.156 0.000 1.214 596 I HN 0.000 nan 8.210 nan 0.000 0.494