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 3agp_1_A DATA FIRST_RESID 2 DATA SEQUENCE AEITASLVKE LRERTGAGMM DCKKALTEAN GDIELAIENM RKSGAIKAAK DATA SEQUENCE KAGNVAADGV IKTKIDGNYG IILEVNCQTD FVAKDAGFQA FADKVLDAAV DATA SEQUENCE AGKITDVEVL KAQFEEERVA LVAKIGENIN IRRVAALEGD VLGSYQHGAR DATA SEQUENCE IGVLVAAKGA DEELVKHIAM HVAASKPEFI KPEDVSAEVV EKEYQVQLDI DATA SEQUENCE AMQSGKPKEI AEKMVEGRMK KFTGEVSLTG QPFVMEPSKT VGQLLKEHNA DATA SEQUENCE EVTGFIRFEV GEGIEKVETD FAAEVAAMSK QSHMSXXXFE RTKPHVNVGT DATA SEQUENCE IGHVDHGKTT LTAAITTVLA KTYGGXXXXX XXXXXXXXXX XXXXXXXTSH DATA SEQUENCE VEYDTPTRHY AHVDCPGHAD YVKNMITGAA QMDGAILVVA ATDGPMPQTR DATA SEQUENCE EHILLGRQVG VPYIIVFLNK CDMVDDEELL ELVEMEVREL LSQYDFPGDD DATA SEQUENCE TPIVRGSALK ALEGDAEWEA KILELAGFLD SYIPEPERAI DKPFLLPIED DATA SEQUENCE VFSISGRGTV VTGRVERGII KVGEEVEIVG IKETQKSTCT GVEMFRKLLD DATA SEQUENCE EGRAGENVGV LLRGIKREEI ERGQVLAKPG TIKPHTKFES EVYILSKDEG DATA SEQUENCE GRHTPFFKGY RPQFYFRTTD VTGTIELPEG VEMVMPGDNI KMVVTLIHPI DATA SEQUENCE AMDDGLRFAI REGGRTVGAG VVAKVLSGAX XXXXXXXXXX XXXXXXXXSS DATA SEQUENCE RNSLSAQLRR AANTRIEVEG NLALSIANDL LLAYGQSPFN SEAECISFSP DATA SEQUENCE RFDGTPDDFR INYLKAEIMS KYDDFSLGID TEAVAWEKFL AAEAECALTN DATA SEQUENCE ARLYRPDYSE DFNFSLGESC IHMARRKIAK LIGDVPSVEG MLRHCRFSGG DATA SEQUENCE ATTTNNRSYG HPSFKFALPQ ACTPRALKYV LALRASTHFD IRISDISPFN DATA SEQUENCE KAVTVPKNSK TDRCIAIEPG WNMFFQLGIG GILRDRLRCW GIDLNDQTIN DATA SEQUENCE QRRAHEGSVT NNLATVDLSA ASDSISLALC ELLLPPGWFE VLMDLRSPKG DATA SEQUENCE RLPDGSVVTY EKISSMGNGY TFELESLIFA SLARSVCEIL DLDSSEVTVY DATA SEQUENCE GDDIILPSCA VPALREVFKY VGFTTNTKKT FSEGPFRESC GKHYYSGVDV DATA SEQUENCE TPFYIRHRIV SPADLILVLN NLYRWATIDG VWDPRAHSVY LKYRKLLPKQ DATA SEQUENCE LQRNTIPDGY GDGALVGSVL INPFAKNRGW IRYVPVITDH TRDRERAELG DATA SEQUENCE SYLYDLFSRC LSESNXXXXX XXXXXXXXXX XXAIDQLICR SNPTKISRST DATA SEQUENCE GKFDIQYIAC SSR 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 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.584 177.584 0.000 0.000 1.274 2 A CA 0.000 52.038 52.037 0.001 0.000 0.836 2 A CB 0.000 19.000 19.000 -0.000 0.000 0.831 3 E N 0.189 120.389 120.200 -0.000 0.000 2.051 3 E HA -0.133 4.215 4.350 -0.004 0.000 0.192 3 E C 0.976 177.575 176.600 -0.001 0.000 0.991 3 E CA 1.525 57.924 56.400 -0.001 0.000 0.799 3 E CB -0.335 29.365 29.700 -0.001 0.000 0.748 3 E HN 0.724 nan 8.360 nan 0.000 0.449 4 I N 2.148 122.717 120.570 -0.001 0.000 2.828 4 I HA -0.017 4.150 4.170 -0.004 0.000 0.292 4 I C 0.472 176.588 176.117 -0.001 0.000 1.206 4 I CA 0.510 61.809 61.300 -0.002 0.000 1.420 4 I CB -0.863 37.135 38.000 -0.003 0.000 1.368 4 I HN -0.159 nan 8.210 nan 0.000 0.556 5 T N 4.594 119.147 114.554 -0.001 0.000 2.926 5 T HA 0.425 4.772 4.350 -0.004 0.000 0.307 5 T C 1.238 175.938 174.700 -0.001 0.000 1.059 5 T CA 0.221 62.320 62.100 -0.001 0.000 1.122 5 T CB 0.942 69.810 68.868 0.000 0.000 0.972 5 T HN 0.842 nan 8.240 nan 0.000 0.545 6 A N 3.390 126.209 122.820 -0.001 0.000 1.970 6 A HA 0.104 4.422 4.320 -0.004 0.000 0.216 6 A C 2.636 180.219 177.584 -0.000 0.000 1.170 6 A CA 1.483 53.519 52.037 -0.001 0.000 0.645 6 A CB -0.911 18.088 19.000 -0.001 0.000 0.816 6 A HN 0.796 nan 8.150 nan 0.000 0.447 7 S N -1.223 114.477 115.700 0.000 0.000 2.474 7 S HA -0.023 4.444 4.470 -0.004 0.000 0.235 7 S C 1.411 176.012 174.600 0.002 0.000 0.997 7 S CA 1.121 59.322 58.200 0.001 0.000 0.949 7 S CB -0.226 62.975 63.200 0.002 0.000 0.766 7 S HN 0.361 nan 8.310 nan 0.000 0.517 8 L N 0.601 121.825 121.223 0.001 0.000 2.638 8 L HA 0.276 4.613 4.340 -0.004 0.000 0.232 8 L C 1.865 178.736 176.870 0.001 0.000 1.099 8 L CA 0.354 55.195 54.840 0.001 0.000 0.883 8 L CB 0.391 42.451 42.059 0.001 0.000 1.136 8 L HN 0.300 nan 8.230 nan 0.000 0.492 9 V N -1.878 118.036 119.914 -0.000 0.000 2.970 9 V HA -0.162 3.956 4.120 -0.004 0.000 0.260 9 V C 2.282 178.376 176.094 0.000 0.000 1.100 9 V CA 1.614 63.913 62.300 -0.001 0.000 1.122 9 V CB -0.905 30.916 31.823 -0.003 0.000 0.721 9 V HN 0.570 nan 8.190 nan 0.000 0.483 10 K N 1.289 121.690 120.400 0.001 0.000 2.186 10 K HA -0.016 4.302 4.320 -0.004 0.000 0.202 10 K C 2.043 178.646 176.600 0.005 0.000 1.052 10 K CA 1.615 57.904 56.287 0.003 0.000 0.965 10 K CB -0.545 31.957 32.500 0.004 0.000 0.746 10 K HN 0.519 nan 8.250 nan 0.000 0.457 11 E N 0.847 121.050 120.200 0.005 0.000 2.204 11 E HA -0.149 4.199 4.350 -0.004 0.000 0.194 11 E C 1.831 178.434 176.600 0.006 0.000 0.989 11 E CA 1.165 57.569 56.400 0.005 0.000 0.824 11 E CB -0.024 29.679 29.700 0.005 0.000 0.756 11 E HN 0.494 nan 8.360 nan 0.000 0.477 12 L N -0.404 120.821 121.223 0.004 0.000 2.127 12 L HA 0.081 4.418 4.340 -0.004 0.000 0.203 12 L C 2.475 179.349 176.870 0.005 0.000 1.080 12 L CA 0.958 55.801 54.840 0.004 0.000 0.768 12 L CB -0.498 41.562 42.059 0.002 0.000 0.924 12 L HN -0.125 nan 8.230 nan 0.000 0.444 13 R N 0.839 121.342 120.500 0.005 0.000 2.103 13 R HA -0.242 4.096 4.340 -0.004 0.000 0.242 13 R C 1.972 178.278 176.300 0.010 0.000 1.142 13 R CA 2.222 58.326 56.100 0.006 0.000 0.960 13 R CB -0.424 29.879 30.300 0.005 0.000 0.858 13 R HN 0.701 nan 8.270 nan 0.000 0.439 14 E N -0.353 119.853 120.200 0.011 0.000 2.494 14 E HA -0.047 4.300 4.350 -0.004 0.000 0.193 14 E C 1.513 178.121 176.600 0.014 0.000 1.074 14 E CA 0.067 56.475 56.400 0.014 0.000 0.867 14 E CB 0.196 29.904 29.700 0.013 0.000 0.924 14 E HN 0.132 nan 8.360 nan 0.000 0.502 15 R N -1.418 119.089 120.500 0.012 0.000 2.487 15 R HA 0.139 4.477 4.340 -0.004 0.000 0.272 15 R C 0.875 177.182 176.300 0.012 0.000 0.928 15 R CA 0.506 56.613 56.100 0.012 0.000 1.077 15 R CB 0.612 30.918 30.300 0.010 0.000 1.265 15 R HN 0.055 nan 8.270 nan 0.000 0.537 16 T N -1.791 112.769 114.554 0.011 0.000 3.234 16 T HA 0.250 4.598 4.350 -0.004 0.000 0.235 16 T C 0.994 175.702 174.700 0.013 0.000 0.971 16 T CA 0.845 62.951 62.100 0.010 0.000 1.292 16 T CB 0.537 69.409 68.868 0.007 0.000 0.994 16 T HN 0.337 nan 8.240 nan 0.000 0.412 17 G N 1.289 110.097 108.800 0.014 0.000 2.192 17 G HA2 0.055 4.013 3.960 -0.004 0.000 0.193 17 G HA3 0.055 4.013 3.960 -0.004 0.000 0.193 17 G C 0.243 175.153 174.900 0.016 0.000 0.999 17 G CA 0.018 45.128 45.100 0.018 0.000 0.659 17 G HN 0.844 nan 8.290 nan 0.000 0.503 18 A N 0.609 123.435 122.820 0.010 0.000 2.346 18 A HA 0.755 5.072 4.320 -0.004 0.000 0.252 18 A C 1.500 179.086 177.584 0.004 0.000 1.089 18 A CA 0.947 52.988 52.037 0.006 0.000 0.797 18 A CB -0.016 18.985 19.000 0.001 0.000 1.047 18 A HN 1.822 nan 8.150 nan 0.000 0.494 19 G N -0.757 108.041 108.800 -0.003 0.000 2.846 19 G HA2 0.195 4.153 3.960 -0.004 0.000 0.257 19 G HA3 0.195 4.153 3.960 -0.004 0.000 0.257 19 G C 0.671 175.562 174.900 -0.016 0.000 1.253 19 G CA 0.554 45.646 45.100 -0.013 0.000 0.918 19 G HN 0.740 nan 8.290 nan 0.000 0.597 20 M N -0.479 119.105 119.600 -0.026 0.000 2.248 20 M HA 0.195 4.673 4.480 -0.004 0.000 0.265 20 M C 2.258 178.542 176.300 -0.028 0.000 1.079 20 M CA 1.168 56.453 55.300 -0.024 0.000 1.150 20 M CB -0.103 32.479 32.600 -0.029 0.000 1.366 20 M HN 0.364 nan 8.290 nan 0.000 0.433 21 M N -0.410 119.166 119.600 -0.040 0.000 2.506 21 M HA 0.026 4.503 4.480 -0.004 0.000 0.260 21 M C 0.734 177.016 176.300 -0.031 0.000 1.104 21 M CA 0.915 56.192 55.300 -0.038 0.000 1.112 21 M CB -1.140 31.428 32.600 -0.052 0.000 1.401 21 M HN 0.116 nan 8.290 nan 0.000 0.473 22 D N -0.900 119.483 120.400 -0.030 0.000 2.347 22 D HA -0.014 4.624 4.640 -0.004 0.000 0.213 22 D C 1.823 178.114 176.300 -0.015 0.000 0.985 22 D CA 0.556 54.543 54.000 -0.022 0.000 0.879 22 D CB 0.176 40.964 40.800 -0.020 0.000 0.919 22 D HN 0.278 nan 8.370 nan 0.000 0.526 23 C N -0.054 119.238 119.300 -0.014 0.000 2.520 23 C HA 0.106 4.563 4.460 -0.004 0.000 0.291 23 C C 2.394 177.378 174.990 -0.010 0.000 1.364 23 C CA -0.157 58.855 59.018 -0.009 0.000 1.781 23 C CB -0.104 27.632 27.740 -0.007 0.000 2.171 23 C HN 0.225 nan 8.230 nan 0.000 0.516 24 K N 2.191 122.584 120.400 -0.012 0.000 2.097 24 K HA -0.176 4.142 4.320 -0.004 0.000 0.206 24 K C 1.993 178.587 176.600 -0.011 0.000 1.049 24 K CA 1.833 58.113 56.287 -0.011 0.000 0.933 24 K CB -0.206 32.286 32.500 -0.014 0.000 0.717 24 K HN 0.700 nan 8.250 nan 0.000 0.442 25 K N -0.888 119.504 120.400 -0.013 0.000 2.166 25 K HA 0.110 4.427 4.320 -0.004 0.000 0.201 25 K C 1.794 178.388 176.600 -0.010 0.000 1.052 25 K CA 0.969 57.249 56.287 -0.012 0.000 0.969 25 K CB -0.185 32.305 32.500 -0.016 0.000 0.761 25 K HN -0.015 nan 8.250 nan 0.000 0.459 26 A N 0.708 123.523 122.820 -0.009 0.000 2.235 26 A HA 0.092 4.410 4.320 -0.004 0.000 0.208 26 A C 1.785 179.366 177.584 -0.005 0.000 1.172 26 A CA 0.478 52.511 52.037 -0.007 0.000 0.786 26 A CB -0.266 18.730 19.000 -0.007 0.000 0.804 26 A HN 0.356 nan 8.150 nan 0.000 0.479 27 L N -2.167 119.053 121.223 -0.005 0.000 2.515 27 L HA 0.138 4.476 4.340 -0.004 0.000 0.223 27 L C 2.288 179.156 176.870 -0.003 0.000 1.079 27 L CA 1.753 56.591 54.840 -0.004 0.000 0.857 27 L CB -0.106 41.951 42.059 -0.003 0.000 1.050 27 L HN 0.288 nan 8.230 nan 0.000 0.476 28 T N -1.675 112.876 114.554 -0.004 0.000 3.035 28 T HA -0.103 4.245 4.350 -0.004 0.000 0.268 28 T C 1.582 176.280 174.700 -0.003 0.000 1.109 28 T CA 1.200 63.297 62.100 -0.004 0.000 1.119 28 T CB 0.031 68.897 68.868 -0.005 0.000 0.900 28 T HN 0.199 nan 8.240 nan 0.000 0.503 29 E N 0.678 120.876 120.200 -0.004 0.000 2.250 29 E HA 0.354 4.701 4.350 -0.004 0.000 0.192 29 E C 1.755 178.354 176.600 -0.002 0.000 0.986 29 E CA 0.587 56.986 56.400 -0.003 0.000 0.849 29 E CB -0.165 29.533 29.700 -0.004 0.000 0.797 29 E HN 0.478 nan 8.360 nan 0.000 0.482 30 A N 0.488 123.307 122.820 -0.002 0.000 2.411 30 A HA 0.126 4.444 4.320 -0.004 0.000 0.251 30 A C 0.281 177.865 177.584 -0.001 0.000 1.317 30 A CA 0.079 52.116 52.037 -0.001 0.000 0.904 30 A CB -0.449 18.551 19.000 -0.001 0.000 0.993 30 A HN 0.165 nan 8.150 nan 0.000 0.504 31 N N -1.410 117.290 118.700 -0.001 0.000 2.690 31 N HA -0.222 4.515 4.740 -0.004 0.000 0.249 31 N C 0.780 176.289 175.510 -0.001 0.000 1.125 31 N CA 2.263 55.313 53.050 -0.001 0.000 0.794 31 N CB -1.478 37.009 38.487 -0.001 0.000 1.152 31 N HN 1.537 nan 8.380 nan 0.000 0.571 32 G N -0.282 108.517 108.800 -0.001 0.000 2.207 32 G HA2 -0.206 3.751 3.960 -0.004 0.000 0.216 32 G HA3 -0.206 3.751 3.960 -0.004 0.000 0.216 32 G C -0.789 174.111 174.900 -0.000 0.000 1.053 32 G CA 0.101 45.200 45.100 -0.001 0.000 0.764 32 G HN 0.595 nan 8.290 nan 0.000 0.495 33 D N 0.467 120.866 120.400 -0.000 0.000 2.308 33 D HA 0.556 5.194 4.640 -0.004 0.000 0.242 33 D C 1.984 178.285 176.300 0.001 0.000 1.059 33 D CA -0.805 53.195 54.000 0.000 0.000 0.830 33 D CB 0.598 41.398 40.800 0.000 0.000 1.161 33 D HN 0.103 nan 8.370 nan 0.000 0.494 34 I N 2.426 122.997 120.570 0.001 0.000 2.055 34 I HA -0.166 4.002 4.170 -0.004 0.000 0.228 34 I C 1.444 177.562 176.117 0.002 0.000 1.050 34 I CA 1.109 62.410 61.300 0.002 0.000 1.326 34 I CB -1.499 36.502 38.000 0.002 0.000 1.077 34 I HN 0.394 nan 8.210 nan 0.000 0.392 35 E N 1.341 121.542 120.200 0.002 0.000 2.333 35 E HA -0.141 4.207 4.350 -0.004 0.000 0.200 35 E C 2.194 178.795 176.600 0.002 0.000 1.010 35 E CA 0.688 57.089 56.400 0.002 0.000 0.841 35 E CB -0.394 29.308 29.700 0.002 0.000 0.757 35 E HN 0.506 nan 8.360 nan 0.000 0.508 36 L N -0.022 121.201 121.223 0.001 0.000 2.007 36 L HA -0.133 4.205 4.340 -0.004 0.000 0.205 36 L C 2.213 179.084 176.870 0.000 0.000 1.073 36 L CA 1.386 56.226 54.840 0.001 0.000 0.744 36 L CB -0.399 41.660 42.059 0.000 0.000 0.898 36 L HN 0.261 nan 8.230 nan 0.000 0.435 37 A N 0.386 123.206 122.820 0.000 0.000 1.978 37 A HA -0.239 4.078 4.320 -0.004 0.000 0.220 37 A C 2.007 179.591 177.584 0.000 0.000 1.170 37 A CA 1.945 53.982 52.037 -0.000 0.000 0.636 37 A CB -0.825 18.175 19.000 -0.001 0.000 0.810 37 A HN 0.653 nan 8.150 nan 0.000 0.448 38 I N -3.010 117.561 120.570 0.001 0.000 2.394 38 I HA -0.059 4.109 4.170 -0.004 0.000 0.251 38 I C 1.790 177.908 176.117 0.002 0.000 1.136 38 I CA 1.961 63.262 61.300 0.002 0.000 1.425 38 I CB -0.439 37.563 38.000 0.003 0.000 1.079 38 I HN 0.118 nan 8.210 nan 0.000 0.425 39 E N 1.376 121.577 120.200 0.002 0.000 2.230 39 E HA -0.082 4.265 4.350 -0.004 0.000 0.192 39 E C 1.737 178.338 176.600 0.001 0.000 0.987 39 E CA 0.747 57.148 56.400 0.002 0.000 0.841 39 E CB -0.165 29.536 29.700 0.002 0.000 0.783 39 E HN 0.748 nan 8.360 nan 0.000 0.481 40 N N -0.004 118.696 118.700 0.000 0.000 2.080 40 N HA -0.107 4.630 4.740 -0.004 0.000 0.189 40 N C 2.078 177.587 175.510 -0.000 0.000 1.036 40 N CA 1.290 54.340 53.050 -0.000 0.000 0.846 40 N CB -0.109 38.378 38.487 -0.001 0.000 1.015 40 N HN 0.092 nan 8.380 nan 0.000 0.423 41 M N 0.784 120.384 119.600 -0.000 0.000 2.086 41 M HA -0.152 4.325 4.480 -0.004 0.000 0.261 41 M C 2.397 178.697 176.300 0.000 0.000 1.067 41 M CA 1.226 56.525 55.300 -0.001 0.000 1.116 41 M CB -0.434 32.166 32.600 -0.001 0.000 1.348 41 M HN 0.186 nan 8.290 nan 0.000 0.407 42 R N 1.851 122.352 120.500 0.001 0.000 2.136 42 R HA -0.243 4.095 4.340 -0.004 0.000 0.242 42 R C 2.036 178.337 176.300 0.002 0.000 1.131 42 R CA 2.684 58.785 56.100 0.002 0.000 0.937 42 R CB -0.311 29.991 30.300 0.003 0.000 0.863 42 R HN 0.489 nan 8.270 nan 0.000 0.435 43 K N -0.083 120.318 120.400 0.002 0.000 2.228 43 K HA 0.006 4.324 4.320 -0.004 0.000 0.202 43 K C 1.732 178.334 176.600 0.002 0.000 1.051 43 K CA 1.306 57.595 56.287 0.003 0.000 0.960 43 K CB -0.023 32.478 32.500 0.003 0.000 0.743 43 K HN 0.212 nan 8.250 nan 0.000 0.458 44 S N 0.285 115.986 115.700 0.001 0.000 2.720 44 S HA 0.081 4.548 4.470 -0.004 0.000 0.222 44 S C 1.587 176.187 174.600 0.001 0.000 0.958 44 S CA 0.095 58.295 58.200 0.001 0.000 0.943 44 S CB 0.007 63.207 63.200 -0.001 0.000 0.779 44 S HN 0.454 nan 8.310 nan 0.000 0.526 45 G N 1.326 110.127 108.800 0.002 0.000 2.570 45 G HA2 0.324 4.281 3.960 -0.004 0.000 0.209 45 G HA3 0.324 4.281 3.960 -0.004 0.000 0.209 45 G C 1.588 176.490 174.900 0.004 0.000 1.168 45 G CA 0.183 45.284 45.100 0.002 0.000 0.831 45 G HN 0.652 nan 8.290 nan 0.000 0.564 46 A N 0.904 123.728 122.820 0.005 0.000 2.054 46 A HA -0.136 4.182 4.320 -0.004 0.000 0.223 46 A C 2.281 179.870 177.584 0.009 0.000 1.169 46 A CA 1.586 53.628 52.037 0.008 0.000 0.655 46 A CB -0.433 18.573 19.000 0.010 0.000 0.812 46 A HN 0.498 nan 8.150 nan 0.000 0.462 47 I N -0.980 119.594 120.570 0.007 0.000 2.252 47 I HA -0.278 3.890 4.170 -0.004 0.000 0.245 47 I C 2.225 178.347 176.117 0.008 0.000 1.102 47 I CA 1.939 63.243 61.300 0.007 0.000 1.385 47 I CB -0.223 37.780 38.000 0.005 0.000 1.064 47 I HN 0.301 nan 8.210 nan 0.000 0.414 48 K N 1.269 121.673 120.400 0.007 0.000 2.001 48 K HA -0.229 4.089 4.320 -0.004 0.000 0.214 48 K C 2.235 178.843 176.600 0.014 0.000 1.050 48 K CA 1.949 58.241 56.287 0.009 0.000 0.934 48 K CB -0.602 31.903 32.500 0.007 0.000 0.718 48 K HN 0.484 nan 8.250 nan 0.000 0.443 49 A N 1.579 124.407 122.820 0.013 0.000 1.869 49 A HA -0.257 4.061 4.320 -0.004 0.000 0.218 49 A C 2.438 180.033 177.584 0.019 0.000 1.203 49 A CA 2.461 54.507 52.037 0.015 0.000 0.638 49 A CB -1.220 17.787 19.000 0.012 0.000 0.831 49 A HN 0.406 nan 8.150 nan 0.000 0.450 50 A N -0.869 121.962 122.820 0.017 0.000 2.070 50 A HA -0.154 4.163 4.320 -0.004 0.000 0.220 50 A C 2.078 179.672 177.584 0.018 0.000 1.159 50 A CA 1.998 54.045 52.037 0.018 0.000 0.656 50 A CB -0.429 18.580 19.000 0.016 0.000 0.800 50 A HN 0.606 nan 8.150 nan 0.000 0.453 51 K N -0.819 119.591 120.400 0.016 0.000 2.288 51 K HA -0.092 4.226 4.320 -0.004 0.000 0.201 51 K C 1.740 178.353 176.600 0.022 0.000 1.048 51 K CA 1.238 57.535 56.287 0.016 0.000 0.956 51 K CB -0.014 32.494 32.500 0.013 0.000 0.746 51 K HN 0.260 nan 8.250 nan 0.000 0.461 52 K N 0.320 120.735 120.400 0.025 0.000 2.067 52 K HA 0.121 4.439 4.320 -0.004 0.000 0.203 52 K C 1.394 178.012 176.600 0.030 0.000 1.048 52 K CA 1.001 57.307 56.287 0.032 0.000 0.954 52 K CB -0.082 32.441 32.500 0.037 0.000 0.737 52 K HN 0.140 nan 8.250 nan 0.000 0.444 53 A N 0.431 123.268 122.820 0.028 0.000 2.265 53 A HA 0.002 4.320 4.320 -0.004 0.000 0.203 53 A C 1.426 179.025 177.584 0.024 0.000 1.285 53 A CA 1.260 53.313 52.037 0.027 0.000 0.839 53 A CB -1.145 17.871 19.000 0.027 0.000 0.758 53 A HN 0.345 nan 8.150 nan 0.000 0.502 54 G N -0.820 107.995 108.800 0.024 0.000 3.277 54 G HA2 0.177 4.134 3.960 -0.004 0.000 0.243 54 G HA3 0.177 4.134 3.960 -0.004 0.000 0.243 54 G C 0.119 175.033 174.900 0.024 0.000 1.107 54 G CA -0.475 44.639 45.100 0.022 0.000 0.771 54 G HN 0.619 nan 8.290 nan 0.000 0.544 55 N N 0.136 118.852 118.700 0.027 0.000 2.421 55 N HA 0.364 5.102 4.740 -0.004 0.000 0.285 55 N C -0.752 174.772 175.510 0.024 0.000 1.027 55 N CA -0.628 52.438 53.050 0.028 0.000 0.918 55 N CB 3.039 41.546 38.487 0.033 0.000 1.152 55 N HN -0.080 nan 8.380 nan 0.000 0.485 56 V N 2.468 122.394 119.914 0.021 0.000 2.450 56 V HA 0.305 4.423 4.120 -0.004 0.000 0.281 56 V C -0.059 176.044 176.094 0.014 0.000 1.019 56 V CA -0.108 62.202 62.300 0.017 0.000 1.062 56 V CB -0.280 31.552 31.823 0.016 0.000 0.979 56 V HN 0.765 nan 8.190 nan 0.000 0.477 57 A N 6.024 128.852 122.820 0.014 0.000 2.540 57 A HA 0.770 5.087 4.320 -0.004 0.000 0.340 57 A C 0.801 178.387 177.584 0.004 0.000 1.424 57 A CA 0.114 52.157 52.037 0.010 0.000 0.940 57 A CB 0.901 19.915 19.000 0.024 0.000 1.149 57 A HN 1.592 nan 8.150 nan 0.000 0.505 58 A N 1.545 124.362 122.820 -0.004 0.000 2.390 58 A HA 0.286 4.604 4.320 -0.004 0.000 0.232 58 A C 0.745 178.320 177.584 -0.016 0.000 1.233 58 A CA 0.234 52.267 52.037 -0.006 0.000 0.907 58 A CB 0.115 19.113 19.000 -0.002 0.000 0.967 58 A HN 0.643 nan 8.150 nan 0.000 0.512 59 D N -1.316 119.065 120.400 -0.031 0.000 2.567 59 D HA 0.580 5.218 4.640 -0.004 0.000 0.275 59 D C 0.535 176.804 176.300 -0.052 0.000 1.195 59 D CA 1.032 55.000 54.000 -0.054 0.000 1.087 59 D CB 1.755 42.503 40.800 -0.087 0.000 1.165 59 D HN 0.567 nan 8.370 nan 0.000 0.609 60 G N -1.262 107.483 108.800 -0.091 0.000 2.353 60 G HA2 0.225 4.182 3.960 -0.004 0.000 0.615 60 G HA3 0.225 4.182 3.960 -0.004 0.000 0.615 60 G C -0.779 174.149 174.900 0.047 0.000 1.280 60 G CA -0.242 44.845 45.100 -0.022 0.000 1.000 60 G HN 0.871 nan 8.290 nan 0.000 0.516 61 V N -2.093 117.930 119.914 0.182 0.000 3.113 61 V HA 0.932 5.050 4.120 -0.004 0.000 0.316 61 V C 0.243 176.378 176.094 0.068 0.000 1.125 61 V CA -1.329 61.041 62.300 0.116 0.000 1.026 61 V CB 1.876 33.801 31.823 0.171 0.000 1.080 61 V HN 1.047 nan 8.190 nan 0.000 0.444 62 I N 1.514 122.105 120.570 0.034 0.000 2.569 62 I HA 0.632 4.799 4.170 -0.004 0.000 0.296 62 I C -0.373 175.748 176.117 0.007 0.000 1.028 62 I CA -0.814 60.502 61.300 0.027 0.000 1.082 62 I CB 2.240 40.276 38.000 0.060 0.000 1.264 62 I HN 0.624 nan 8.210 nan 0.000 0.429 63 K N 3.140 123.540 120.400 0.000 0.000 2.443 63 K HA 0.726 5.043 4.320 -0.004 0.000 0.251 63 K C -1.197 175.397 176.600 -0.009 0.000 0.972 63 K CA -0.743 55.530 56.287 -0.023 0.000 0.833 63 K CB 2.571 35.036 32.500 -0.058 0.000 1.317 63 K HN 0.541 nan 8.250 nan 0.000 0.441 64 T N 1.654 116.193 114.554 -0.024 0.000 3.172 64 T HA 0.375 4.722 4.350 -0.004 0.000 0.320 64 T C -1.075 173.606 174.700 -0.032 0.000 1.085 64 T CA -0.763 61.323 62.100 -0.024 0.000 1.052 64 T CB 1.769 70.626 68.868 -0.019 0.000 1.107 64 T HN 0.310 nan 8.240 nan 0.000 0.458 65 K N 2.426 122.801 120.400 -0.042 0.000 2.468 65 K HA 0.692 5.010 4.320 -0.004 0.000 0.252 65 K C -1.114 175.455 176.600 -0.053 0.000 0.932 65 K CA -0.914 55.352 56.287 -0.035 0.000 0.794 65 K CB 1.856 34.342 32.500 -0.023 0.000 1.241 65 K HN 0.613 nan 8.250 nan 0.000 0.428 66 I N -1.119 119.432 120.570 -0.031 0.000 2.530 66 I HA 0.504 4.672 4.170 -0.004 0.000 0.297 66 I C -0.827 175.300 176.117 0.016 0.000 1.011 66 I CA -0.348 60.933 61.300 -0.032 0.000 1.107 66 I CB 1.821 39.805 38.000 -0.027 0.000 1.285 66 I HN 0.286 nan 8.210 nan 0.000 0.436 67 D N 4.083 124.517 120.400 0.057 0.000 2.454 67 D HA 0.496 5.133 4.640 -0.004 0.000 0.247 67 D C 0.915 177.270 176.300 0.092 0.000 1.129 67 D CA 0.830 54.884 54.000 0.090 0.000 0.877 67 D CB 1.424 42.312 40.800 0.146 0.000 1.082 67 D HN 1.008 nan 8.370 nan 0.000 0.537 68 G N 5.025 113.859 108.800 0.056 0.000 5.218 68 G HA2 -0.408 3.549 3.960 -0.004 0.000 0.342 68 G HA3 -0.408 3.549 3.960 -0.004 0.000 0.342 68 G C 0.613 175.542 174.900 0.049 0.000 1.391 68 G CA 1.179 46.307 45.100 0.047 0.000 1.096 68 G HN 0.729 nan 8.290 nan 0.000 0.831 69 N N -1.872 116.873 118.700 0.075 0.000 2.381 69 N HA 0.391 5.129 4.740 -0.004 0.000 0.257 69 N C -0.560 175.028 175.510 0.129 0.000 1.409 69 N CA -0.044 53.049 53.050 0.072 0.000 0.836 69 N CB -0.042 38.476 38.487 0.052 0.000 1.384 69 N HN 0.827 nan 8.380 nan 0.000 0.490 70 Y N 0.665 120.967 120.300 0.003 0.000 2.326 70 Y HA 0.766 5.314 4.550 -0.004 0.000 0.331 70 Y C -0.239 175.664 175.900 0.005 0.000 0.962 70 Y CA -0.763 57.339 58.100 0.003 0.000 1.167 70 Y CB 1.353 39.814 38.460 0.003 0.000 1.148 70 Y HN 0.194 nan 8.280 nan 0.000 0.463 71 G N 5.756 114.211 108.800 -0.575 0.000 2.569 71 G HA2 0.684 4.642 3.960 -0.004 0.000 0.300 71 G HA3 0.684 4.642 3.960 -0.004 0.000 0.300 71 G C -2.125 172.456 174.900 -0.532 0.000 1.269 71 G CA -0.900 43.936 45.100 -0.440 0.000 0.959 71 G HN 0.794 nan 8.290 nan 0.000 0.478 72 I N -0.335 120.058 120.570 -0.294 0.000 3.006 72 I HA 0.723 4.890 4.170 -0.004 0.000 0.306 72 I C -1.803 174.272 176.117 -0.070 0.000 1.250 72 I CA -1.345 59.843 61.300 -0.187 0.000 0.996 72 I CB 2.396 40.305 38.000 -0.151 0.000 1.261 72 I HN 0.499 nan 8.210 nan 0.000 0.442 73 I N 7.766 128.341 120.570 0.009 0.000 2.571 73 I HA 0.437 4.605 4.170 -0.004 0.000 0.286 73 I C -1.881 174.384 176.117 0.246 0.000 1.134 73 I CA -0.553 60.810 61.300 0.105 0.000 1.052 73 I CB 1.596 39.652 38.000 0.093 0.000 1.237 73 I HN 0.583 nan 8.210 nan 0.000 0.435 74 L N 5.500 126.791 121.223 0.114 0.000 2.333 74 L HA 0.811 5.148 4.340 -0.004 0.000 0.263 74 L C -1.313 175.517 176.870 -0.066 0.000 1.014 74 L CA -0.432 54.409 54.840 0.002 0.000 0.820 74 L CB 2.171 44.185 42.059 -0.075 0.000 1.352 74 L HN 0.661 nan 8.230 nan 0.000 0.421 75 E N 1.830 121.912 120.200 -0.198 0.000 2.185 75 E HA 0.517 4.864 4.350 -0.004 0.000 0.261 75 E C -1.129 175.405 176.600 -0.110 0.000 0.879 75 E CA -0.986 55.329 56.400 -0.142 0.000 0.756 75 E CB 2.215 31.800 29.700 -0.191 0.000 1.152 75 E HN 0.647 nan 8.360 nan 0.000 0.416 76 V N 2.992 122.881 119.914 -0.041 0.000 2.394 76 V HA 0.451 4.569 4.120 -0.004 0.000 0.282 76 V C -1.133 175.076 176.094 0.191 0.000 1.031 76 V CA -0.604 61.708 62.300 0.020 0.000 0.881 76 V CB 1.082 32.859 31.823 -0.076 0.000 0.982 76 V HN 0.676 nan 8.190 nan 0.000 0.451 77 N N 5.298 124.092 118.700 0.155 0.000 2.498 77 N HA 0.671 5.409 4.740 -0.004 0.000 0.287 77 N C -0.110 175.528 175.510 0.213 0.000 1.097 77 N CA -0.047 53.094 53.050 0.151 0.000 0.973 77 N CB 1.313 39.835 38.487 0.058 0.000 1.153 77 N HN 1.075 nan 8.380 nan 0.000 0.472 78 C N -0.005 119.340 119.300 0.074 0.000 3.082 78 C HA 0.539 4.996 4.460 -0.004 0.000 0.384 78 C C 1.070 176.024 174.990 -0.061 0.000 1.832 78 C CA -0.572 58.428 59.018 -0.031 0.000 1.605 78 C CB 0.823 28.364 27.740 -0.331 0.000 2.303 78 C HN 0.792 nan 8.230 nan 0.000 0.473 79 Q N -0.369 119.385 119.800 -0.077 0.000 2.246 79 Q HA 0.292 4.630 4.340 -0.004 0.000 0.222 79 Q C 0.011 175.974 176.000 -0.061 0.000 0.851 79 Q CA 0.309 56.083 55.803 -0.049 0.000 0.945 79 Q CB 0.529 29.254 28.738 -0.022 0.000 1.122 79 Q HN 0.690 nan 8.270 nan 0.000 0.508 80 T N 1.056 115.549 114.554 -0.101 0.000 2.879 80 T HA 0.077 4.424 4.350 -0.004 0.000 0.290 80 T C -0.260 174.379 174.700 -0.102 0.000 0.993 80 T CA -0.532 61.532 62.100 -0.060 0.000 0.975 80 T CB 1.765 70.625 68.868 -0.013 0.000 0.981 80 T HN 0.045 nan 8.240 nan 0.000 0.439 81 D N 2.264 122.606 120.400 -0.097 0.000 2.242 81 D HA -0.180 4.458 4.640 -0.004 0.000 0.190 81 D C 1.464 177.619 176.300 -0.241 0.000 1.012 81 D CA 1.852 55.736 54.000 -0.193 0.000 0.875 81 D CB -0.046 40.602 40.800 -0.253 0.000 0.922 81 D HN 0.600 nan 8.370 nan 0.000 0.448 82 F N -0.492 119.385 119.950 -0.122 0.000 2.186 82 F HA -0.101 4.423 4.527 -0.004 0.000 0.299 82 F C 2.517 178.173 175.800 -0.240 0.000 1.090 82 F CA 0.476 58.382 58.000 -0.158 0.000 1.307 82 F CB -0.456 38.435 39.000 -0.181 0.000 1.019 82 F HN -0.087 nan 8.300 nan 0.000 0.489 83 V N -0.222 119.621 119.914 -0.118 0.000 2.379 83 V HA -0.255 3.862 4.120 -0.004 0.000 0.245 83 V C 2.590 178.391 176.094 -0.488 0.000 1.044 83 V CA 1.523 63.655 62.300 -0.280 0.000 1.036 83 V CB -1.282 30.333 31.823 -0.347 0.000 0.664 83 V HN 0.342 nan 8.190 nan 0.000 0.453 84 A N 1.028 123.508 122.820 -0.567 0.000 2.054 84 A HA -0.281 4.036 4.320 -0.004 0.000 0.223 84 A C 2.007 179.487 177.584 -0.172 0.000 1.169 84 A CA 2.390 54.114 52.037 -0.523 0.000 0.655 84 A CB -0.446 18.374 19.000 -0.300 0.000 0.812 84 A HN 0.779 nan 8.150 nan 0.000 0.462 85 K N -0.368 119.947 120.400 -0.142 0.000 2.478 85 K HA 0.249 4.566 4.320 -0.004 0.000 0.205 85 K C -0.489 176.106 176.600 -0.009 0.000 1.033 85 K CA 0.008 56.256 56.287 -0.065 0.000 1.091 85 K CB -0.018 32.395 32.500 -0.146 0.000 0.844 85 K HN 0.239 nan 8.250 nan 0.000 0.507 86 D N 0.732 121.142 120.400 0.018 0.000 2.304 86 D HA 0.257 4.894 4.640 -0.004 0.000 0.247 86 D C 1.298 177.659 176.300 0.102 0.000 1.089 86 D CA 0.143 54.172 54.000 0.047 0.000 0.910 86 D CB 1.603 42.420 40.800 0.028 0.000 1.199 86 D HN 0.173 nan 8.370 nan 0.000 0.426 87 A N 3.340 126.208 122.820 0.080 0.000 1.882 87 A HA -0.211 4.107 4.320 -0.004 0.000 0.220 87 A C 2.049 179.693 177.584 0.101 0.000 1.253 87 A CA 2.580 54.667 52.037 0.083 0.000 0.664 87 A CB -1.706 17.338 19.000 0.073 0.000 0.838 87 A HN 0.718 nan 8.150 nan 0.000 0.460 88 G N -2.030 106.835 108.800 0.109 0.000 2.434 88 G HA2 -0.171 3.787 3.960 -0.004 0.000 0.214 88 G HA3 -0.171 3.787 3.960 -0.004 0.000 0.214 88 G C 1.492 176.490 174.900 0.162 0.000 1.202 88 G CA 1.106 46.275 45.100 0.115 0.000 0.788 88 G HN 0.538 nan 8.290 nan 0.000 0.539 89 F N 1.310 121.288 119.950 0.047 0.000 2.120 89 F HA -0.175 4.350 4.527 -0.004 0.000 0.300 89 F C 2.921 178.783 175.800 0.104 0.000 1.095 89 F CA 2.099 60.146 58.000 0.079 0.000 1.249 89 F CB 0.001 39.023 39.000 0.037 0.000 0.995 89 F HN 0.085 nan 8.300 nan 0.000 0.480 90 Q N 0.414 120.361 119.800 0.245 0.000 2.050 90 Q HA -0.185 4.153 4.340 -0.004 0.000 0.202 90 Q C 2.564 178.569 176.000 0.009 0.000 0.980 90 Q CA 1.678 57.548 55.803 0.112 0.000 0.840 90 Q CB -1.101 27.705 28.738 0.112 0.000 0.898 90 Q HN 0.544 nan 8.270 nan 0.000 0.424 91 A N 0.071 122.919 122.820 0.046 0.000 2.024 91 A HA -0.183 4.135 4.320 -0.004 0.000 0.220 91 A C 1.919 179.520 177.584 0.030 0.000 1.164 91 A CA 1.180 53.238 52.037 0.036 0.000 0.643 91 A CB -0.776 18.263 19.000 0.064 0.000 0.806 91 A HN 0.411 nan 8.150 nan 0.000 0.451 92 F N 0.569 120.425 119.950 -0.157 0.000 2.053 92 F HA 0.042 4.567 4.527 -0.004 0.000 0.292 92 F C 2.552 178.165 175.800 -0.312 0.000 1.125 92 F CA 1.434 59.303 58.000 -0.219 0.000 1.193 92 F CB -0.330 38.499 39.000 -0.284 0.000 0.996 92 F HN 0.232 nan 8.300 nan 0.000 0.470 93 A N -0.265 122.232 122.820 -0.539 0.000 2.076 93 A HA -0.229 4.088 4.320 -0.004 0.000 0.220 93 A C 1.799 179.141 177.584 -0.404 0.000 1.160 93 A CA 2.070 53.746 52.037 -0.602 0.000 0.653 93 A CB -0.976 17.746 19.000 -0.463 0.000 0.801 93 A HN 0.535 nan 8.150 nan 0.000 0.455 94 D N -0.820 119.423 120.400 -0.261 0.000 2.183 94 D HA -0.076 4.561 4.640 -0.004 0.000 0.203 94 D C 1.933 178.137 176.300 -0.161 0.000 0.969 94 D CA 1.045 54.948 54.000 -0.161 0.000 0.842 94 D CB -0.060 40.692 40.800 -0.080 0.000 0.957 94 D HN 0.549 nan 8.370 nan 0.000 0.484 95 K N 0.531 120.813 120.400 -0.196 0.000 2.044 95 K HA -0.016 4.302 4.320 -0.004 0.000 0.204 95 K C 1.804 178.268 176.600 -0.227 0.000 1.049 95 K CA 0.349 56.566 56.287 -0.118 0.000 0.945 95 K CB -0.077 32.428 32.500 0.008 0.000 0.724 95 K HN -0.114 nan 8.250 nan 0.000 0.440 96 V N 2.757 122.267 119.914 -0.672 0.000 3.330 96 V HA -0.137 3.981 4.120 -0.004 0.000 0.273 96 V C 1.678 177.495 176.094 -0.460 0.000 1.179 96 V CA 0.830 62.530 62.300 -1.000 0.000 1.174 96 V CB -0.330 30.545 31.823 -1.579 0.000 0.794 96 V HN 0.350 nan 8.190 nan 0.000 0.527 97 L N -1.230 119.818 121.223 -0.292 0.000 2.347 97 L HA 0.158 4.495 4.340 -0.004 0.000 0.196 97 L C 2.137 178.963 176.870 -0.073 0.000 1.072 97 L CA 1.528 56.271 54.840 -0.162 0.000 0.817 97 L CB -0.725 41.245 42.059 -0.148 0.000 1.029 97 L HN 0.231 nan 8.230 nan 0.000 0.478 98 D N 1.318 121.684 120.400 -0.056 0.000 2.103 98 D HA -0.197 4.440 4.640 -0.004 0.000 0.190 98 D C 2.157 178.476 176.300 0.031 0.000 0.997 98 D CA 1.945 55.942 54.000 -0.005 0.000 0.833 98 D CB -0.137 40.663 40.800 0.001 0.000 0.961 98 D HN 0.440 nan 8.370 nan 0.000 0.447 99 A N 0.830 123.687 122.820 0.061 0.000 1.986 99 A HA -0.116 4.201 4.320 -0.004 0.000 0.220 99 A C 2.240 179.885 177.584 0.102 0.000 1.171 99 A CA 2.401 54.507 52.037 0.115 0.000 0.640 99 A CB -0.617 18.538 19.000 0.259 0.000 0.811 99 A HN 0.271 nan 8.150 nan 0.000 0.451 100 A N -1.005 121.856 122.820 0.069 0.000 2.119 100 A HA 0.256 4.574 4.320 -0.004 0.000 0.216 100 A C 2.046 179.681 177.584 0.084 0.000 1.152 100 A CA 1.293 53.368 52.037 0.064 0.000 0.708 100 A CB -0.394 18.613 19.000 0.011 0.000 0.805 100 A HN 0.304 nan 8.150 nan 0.000 0.460 101 V N -0.363 119.597 119.914 0.077 0.000 2.300 101 V HA -0.059 4.059 4.120 -0.004 0.000 0.233 101 V C 2.948 179.127 176.094 0.141 0.000 1.052 101 V CA 1.435 63.811 62.300 0.126 0.000 1.026 101 V CB -1.505 30.368 31.823 0.083 0.000 0.661 101 V HN 0.535 nan 8.190 nan 0.000 0.470 102 A N 0.672 123.545 122.820 0.088 0.000 1.883 102 A HA -0.230 4.088 4.320 -0.004 0.000 0.222 102 A C 1.743 179.355 177.584 0.048 0.000 1.339 102 A CA 2.255 54.327 52.037 0.059 0.000 0.692 102 A CB -1.549 17.476 19.000 0.042 0.000 0.845 102 A HN 0.791 nan 8.150 nan 0.000 0.467 103 G N -0.352 108.479 108.800 0.052 0.000 2.639 103 G HA2 0.511 4.469 3.960 -0.004 0.000 0.312 103 G HA3 0.511 4.469 3.960 -0.004 0.000 0.312 103 G C 0.138 175.081 174.900 0.072 0.000 0.911 103 G CA 0.467 45.593 45.100 0.044 0.000 1.410 103 G HN 0.853 nan 8.290 nan 0.000 0.469 104 K N 2.515 122.959 120.400 0.074 0.000 2.466 104 K HA 0.286 4.603 4.320 -0.004 0.000 0.278 104 K C 0.098 176.762 176.600 0.107 0.000 1.048 104 K CA 0.369 56.741 56.287 0.141 0.000 1.088 104 K CB -0.189 32.365 32.500 0.089 0.000 0.884 104 K HN 0.642 nan 8.250 nan 0.000 0.478 105 I N 3.662 124.303 120.570 0.118 0.000 2.563 105 I HA 0.092 4.260 4.170 -0.004 0.000 0.276 105 I C 1.459 177.625 176.117 0.083 0.000 1.074 105 I CA -0.691 60.661 61.300 0.086 0.000 1.124 105 I CB 1.724 39.771 38.000 0.079 0.000 1.225 105 I HN 0.850 nan 8.210 nan 0.000 0.482 106 T N 2.060 116.663 114.554 0.083 0.000 2.732 106 T HA -0.089 4.259 4.350 -0.004 0.000 0.261 106 T C 0.863 175.599 174.700 0.060 0.000 1.040 106 T CA 1.133 63.278 62.100 0.075 0.000 1.145 106 T CB 0.013 68.925 68.868 0.072 0.000 0.866 106 T HN 0.514 nan 8.240 nan 0.000 0.427 107 D N 1.593 122.024 120.400 0.052 0.000 2.450 107 D HA -0.010 4.628 4.640 -0.004 0.000 0.247 107 D C 1.098 177.424 176.300 0.044 0.000 1.162 107 D CA 0.005 54.032 54.000 0.044 0.000 0.879 107 D CB 1.523 42.346 40.800 0.038 0.000 1.163 107 D HN 0.147 nan 8.370 nan 0.000 0.472 108 V N 4.728 124.664 119.914 0.037 0.000 2.809 108 V HA -0.131 3.986 4.120 -0.004 0.000 0.256 108 V C 1.813 177.928 176.094 0.035 0.000 1.080 108 V CA 1.372 63.690 62.300 0.029 0.000 1.102 108 V CB -0.088 31.744 31.823 0.015 0.000 0.705 108 V HN 0.461 nan 8.190 nan 0.000 0.475 109 E N -0.135 120.088 120.200 0.038 0.000 2.158 109 E HA -0.080 4.268 4.350 -0.004 0.000 0.191 109 E C 2.280 178.912 176.600 0.054 0.000 0.982 109 E CA 1.180 57.606 56.400 0.043 0.000 0.823 109 E CB -0.372 29.349 29.700 0.035 0.000 0.766 109 E HN 0.522 nan 8.360 nan 0.000 0.468 110 V N 2.474 122.419 119.914 0.052 0.000 2.250 110 V HA -0.295 3.822 4.120 -0.004 0.000 0.250 110 V C 2.566 178.709 176.094 0.083 0.000 1.060 110 V CA 2.323 64.657 62.300 0.055 0.000 1.030 110 V CB -0.819 31.035 31.823 0.051 0.000 0.643 110 V HN 0.318 nan 8.190 nan 0.000 0.445 111 L N -1.437 119.854 121.223 0.112 0.000 2.249 111 L HA 0.098 4.436 4.340 -0.004 0.000 0.207 111 L C 2.412 179.432 176.870 0.248 0.000 1.090 111 L CA 1.564 56.532 54.840 0.213 0.000 0.802 111 L CB -0.804 41.367 42.059 0.188 0.000 0.947 111 L HN 0.169 nan 8.230 nan 0.000 0.453 112 K N 1.195 121.677 120.400 0.136 0.000 2.160 112 K HA -0.164 4.154 4.320 -0.004 0.000 0.206 112 K C 1.803 178.496 176.600 0.154 0.000 1.047 112 K CA 1.668 58.031 56.287 0.126 0.000 0.930 112 K CB -0.076 32.468 32.500 0.073 0.000 0.720 112 K HN 0.546 nan 8.250 nan 0.000 0.450 113 A N 0.134 123.029 122.820 0.125 0.000 2.140 113 A HA -0.020 4.298 4.320 -0.004 0.000 0.209 113 A C 1.800 179.428 177.584 0.073 0.000 1.181 113 A CA 0.278 52.370 52.037 0.092 0.000 0.824 113 A CB -0.113 18.921 19.000 0.056 0.000 0.879 113 A HN 0.459 nan 8.150 nan 0.000 0.480 114 Q N -1.691 118.155 119.800 0.077 0.000 2.364 114 Q HA -0.062 4.275 4.340 -0.004 0.000 0.207 114 Q C 0.677 176.541 176.000 -0.227 0.000 0.970 114 Q CA 1.388 57.152 55.803 -0.065 0.000 0.888 114 Q CB -0.104 28.591 28.738 -0.070 0.000 0.951 114 Q HN 0.664 nan 8.270 nan 0.000 0.469 115 F N -1.219 118.762 119.950 0.053 0.000 2.740 115 F HA 0.153 4.678 4.527 -0.004 0.000 0.304 115 F C 1.723 177.595 175.800 0.121 0.000 1.098 115 F CA 0.150 58.213 58.000 0.105 0.000 1.258 115 F CB 0.293 39.372 39.000 0.132 0.000 1.061 115 F HN 0.053 nan 8.300 nan 0.000 0.598 116 E N 1.317 121.662 120.200 0.242 0.000 2.279 116 E HA -0.299 4.049 4.350 -0.004 0.000 0.205 116 E C 1.776 178.442 176.600 0.110 0.000 1.028 116 E CA 1.836 58.332 56.400 0.159 0.000 0.830 116 E CB -0.021 29.740 29.700 0.102 0.000 0.736 116 E HN 0.313 nan 8.360 nan 0.000 0.478 117 E N 0.251 120.506 120.200 0.093 0.000 2.051 117 E HA -0.100 4.248 4.350 -0.004 0.000 0.189 117 E C 1.792 178.430 176.600 0.063 0.000 0.979 117 E CA 1.326 57.760 56.400 0.056 0.000 0.803 117 E CB -0.177 29.540 29.700 0.029 0.000 0.761 117 E HN 0.424 nan 8.360 nan 0.000 0.451 118 E N 0.080 120.352 120.200 0.121 0.000 2.204 118 E HA -0.180 4.168 4.350 -0.004 0.000 0.194 118 E C 2.058 178.660 176.600 0.002 0.000 0.989 118 E CA 0.423 56.901 56.400 0.131 0.000 0.824 118 E CB 0.028 29.912 29.700 0.307 0.000 0.756 118 E HN 0.049 nan 8.360 nan 0.000 0.477 119 R N 0.539 121.066 120.500 0.045 0.000 2.120 119 R HA -0.121 4.217 4.340 -0.004 0.000 0.234 119 R C 2.359 178.572 176.300 -0.145 0.000 1.123 119 R CA 1.436 57.443 56.100 -0.155 0.000 0.975 119 R CB -0.133 30.207 30.300 0.068 0.000 0.866 119 R HN 0.229 nan 8.270 nan 0.000 0.446 120 V N -2.079 117.805 119.914 -0.051 0.000 2.719 120 V HA 0.170 4.288 4.120 -0.004 0.000 0.252 120 V C 1.897 177.961 176.094 -0.051 0.000 1.065 120 V CA 1.359 63.636 62.300 -0.038 0.000 1.086 120 V CB -0.307 31.512 31.823 -0.006 0.000 0.700 120 V HN 0.250 nan 8.190 nan 0.000 0.467 121 A N -0.513 122.272 122.820 -0.058 0.000 2.264 121 A HA 0.278 4.596 4.320 -0.004 0.000 0.207 121 A C 1.941 179.474 177.584 -0.085 0.000 1.196 121 A CA 1.544 53.552 52.037 -0.049 0.000 0.778 121 A CB -0.451 18.537 19.000 -0.020 0.000 0.779 121 A HN 0.646 nan 8.150 nan 0.000 0.483 122 L N -2.986 118.154 121.223 -0.138 0.000 2.666 122 L HA 0.081 4.419 4.340 -0.004 0.000 0.184 122 L C 2.224 179.058 176.870 -0.060 0.000 1.092 122 L CA 0.486 55.248 54.840 -0.132 0.000 0.857 122 L CB -0.412 41.478 42.059 -0.282 0.000 1.281 122 L HN 0.127 nan 8.230 nan 0.000 0.489 123 V N 0.886 120.761 119.914 -0.064 0.000 2.363 123 V HA -0.382 3.736 4.120 -0.004 0.000 0.254 123 V C 2.468 178.568 176.094 0.010 0.000 1.074 123 V CA 2.358 64.652 62.300 -0.010 0.000 1.069 123 V CB -0.206 31.613 31.823 -0.007 0.000 0.659 123 V HN 0.473 nan 8.190 nan 0.000 0.455 124 A N -0.727 122.091 122.820 -0.003 0.000 1.854 124 A HA -0.189 4.128 4.320 -0.004 0.000 0.214 124 A C 2.260 179.853 177.584 0.015 0.000 1.192 124 A CA 1.871 53.911 52.037 0.006 0.000 0.611 124 A CB -0.582 18.417 19.000 -0.002 0.000 0.832 124 A HN 0.581 nan 8.150 nan 0.000 0.442 125 K N -0.789 119.617 120.400 0.010 0.000 2.097 125 K HA -0.029 4.288 4.320 -0.004 0.000 0.206 125 K C 1.707 178.334 176.600 0.044 0.000 1.049 125 K CA 1.583 57.883 56.287 0.022 0.000 0.933 125 K CB -0.219 32.290 32.500 0.015 0.000 0.717 125 K HN 0.536 nan 8.250 nan 0.000 0.442 126 I N -1.272 119.330 120.570 0.055 0.000 2.810 126 I HA 0.024 4.192 4.170 -0.004 0.000 0.262 126 I C 0.909 177.135 176.117 0.182 0.000 1.131 126 I CA 0.492 61.850 61.300 0.096 0.000 1.453 126 I CB 0.462 38.505 38.000 0.073 0.000 1.161 126 I HN 0.363 nan 8.210 nan 0.000 0.444 127 G N 2.434 111.314 108.800 0.133 0.000 2.204 127 G HA2 -0.198 3.759 3.960 -0.004 0.000 0.244 127 G HA3 -0.198 3.759 3.960 -0.004 0.000 0.244 127 G C -0.195 174.834 174.900 0.214 0.000 1.062 127 G CA -0.232 44.966 45.100 0.163 0.000 0.798 127 G HN 0.440 nan 8.290 nan 0.000 0.496 128 E N -0.701 119.568 120.200 0.115 0.000 2.293 128 E HA 0.289 4.637 4.350 -0.004 0.000 0.270 128 E C -0.626 176.005 176.600 0.051 0.000 0.879 128 E CA -1.194 55.244 56.400 0.063 0.000 0.756 128 E CB 1.222 30.917 29.700 -0.009 0.000 1.208 128 E HN 0.090 nan 8.360 nan 0.000 0.428 129 N N 3.045 121.771 118.700 0.044 0.000 2.406 129 N HA 0.057 4.795 4.740 -0.004 0.000 0.274 129 N C -0.832 174.714 175.510 0.060 0.000 1.249 129 N CA 0.199 53.277 53.050 0.045 0.000 0.951 129 N CB 0.066 38.577 38.487 0.039 0.000 1.241 129 N HN 0.489 nan 8.380 nan 0.000 0.485 130 I N 1.738 122.356 120.570 0.079 0.000 2.405 130 I HA 0.440 4.607 4.170 -0.004 0.000 0.280 130 I C -1.276 174.913 176.117 0.120 0.000 1.027 130 I CA -0.824 60.563 61.300 0.145 0.000 1.161 130 I CB 0.353 38.495 38.000 0.236 0.000 1.300 130 I HN 0.268 nan 8.210 nan 0.000 0.463 131 N N 6.798 125.566 118.700 0.114 0.000 2.443 131 N HA 0.438 5.176 4.740 -0.004 0.000 0.269 131 N C -0.780 174.780 175.510 0.083 0.000 0.985 131 N CA -0.506 52.598 53.050 0.091 0.000 0.921 131 N CB 1.759 40.280 38.487 0.058 0.000 1.195 131 N HN 0.503 nan 8.380 nan 0.000 0.492 132 I N 2.020 122.642 120.570 0.086 0.000 2.769 132 I HA -0.053 4.115 4.170 -0.004 0.000 0.285 132 I C 1.364 177.471 176.117 -0.018 0.000 1.173 132 I CA 0.576 61.882 61.300 0.011 0.000 1.389 132 I CB -0.401 37.577 38.000 -0.036 0.000 1.404 132 I HN 0.412 nan 8.210 nan 0.000 0.544 133 R N 6.360 126.829 120.500 -0.052 0.000 2.603 133 R HA 0.479 4.816 4.340 -0.004 0.000 0.231 133 R C 0.045 176.265 176.300 -0.133 0.000 1.263 133 R CA -0.977 55.075 56.100 -0.079 0.000 1.102 133 R CB 0.654 30.898 30.300 -0.093 0.000 1.527 133 R HN 0.707 nan 8.270 nan 0.000 0.554 134 R N 0.545 120.944 120.500 -0.168 0.000 2.500 134 R HA 0.006 4.343 4.340 -0.004 0.000 0.281 134 R C -0.475 175.682 176.300 -0.238 0.000 0.953 134 R CA -0.045 55.946 56.100 -0.182 0.000 1.108 134 R CB -0.023 30.160 30.300 -0.196 0.000 0.901 134 R HN 0.229 nan 8.270 nan 0.000 0.410 135 V N 1.552 121.431 119.914 -0.059 0.000 2.914 135 V HA 0.872 4.990 4.120 -0.004 0.000 0.314 135 V C -0.747 175.449 176.094 0.169 0.000 1.084 135 V CA -0.065 62.265 62.300 0.050 0.000 0.963 135 V CB 1.974 33.807 31.823 0.016 0.000 1.025 135 V HN 1.193 nan 8.190 nan 0.000 0.432 136 A N 3.706 126.675 122.820 0.247 0.000 2.581 136 A HA 1.077 5.395 4.320 -0.004 0.000 0.290 136 A C -0.849 176.774 177.584 0.064 0.000 1.119 136 A CA -0.189 51.940 52.037 0.153 0.000 0.670 136 A CB 1.477 20.579 19.000 0.170 0.000 1.280 136 A HN 2.388 nan 8.150 nan 0.000 0.425 137 A N -0.894 121.926 122.820 -0.000 0.000 2.610 137 A HA 0.819 5.136 4.320 -0.004 0.000 0.291 137 A C -1.981 175.549 177.584 -0.091 0.000 1.086 137 A CA -0.328 51.658 52.037 -0.084 0.000 0.677 137 A CB 1.345 20.275 19.000 -0.117 0.000 1.278 137 A HN 2.088 nan 8.150 nan 0.000 0.414 138 L N 0.450 121.578 121.223 -0.159 0.000 2.409 138 L HA 0.813 5.150 4.340 -0.004 0.000 0.262 138 L C -0.738 176.074 176.870 -0.097 0.000 0.992 138 L CA -0.027 54.755 54.840 -0.096 0.000 0.817 138 L CB 2.148 44.151 42.059 -0.093 0.000 1.350 138 L HN 0.962 nan 8.230 nan 0.000 0.411 139 E N 2.472 122.679 120.200 0.011 0.000 2.366 139 E HA 0.848 5.196 4.350 -0.004 0.000 0.278 139 E C -1.059 175.573 176.600 0.054 0.000 0.923 139 E CA -0.831 55.613 56.400 0.074 0.000 0.761 139 E CB 2.268 32.123 29.700 0.258 0.000 1.231 139 E HN 0.748 nan 8.360 nan 0.000 0.443 140 G N 1.436 110.266 108.800 0.048 0.000 2.731 140 G HA2 0.227 4.184 3.960 -0.004 0.000 0.309 140 G HA3 0.227 4.184 3.960 -0.004 0.000 0.309 140 G C -0.684 174.235 174.900 0.031 0.000 1.273 140 G CA -0.269 44.851 45.100 0.033 0.000 0.798 140 G HN 0.443 nan 8.290 nan 0.000 0.509 141 D N -0.873 119.539 120.400 0.019 0.000 2.085 141 D HA 0.118 4.756 4.640 -0.004 0.000 0.199 141 D C 0.986 177.293 176.300 0.012 0.000 0.981 141 D CA 1.313 55.322 54.000 0.015 0.000 0.834 141 D CB -0.018 40.787 40.800 0.008 0.000 0.992 141 D HN 0.229 nan 8.370 nan 0.000 0.457 142 V N 1.737 121.654 119.914 0.005 0.000 2.407 142 V HA 0.424 4.541 4.120 -0.004 0.000 0.291 142 V C -0.374 175.719 176.094 -0.001 0.000 1.018 142 V CA -0.950 61.350 62.300 -0.000 0.000 0.842 142 V CB 1.659 33.474 31.823 -0.012 0.000 0.996 142 V HN 0.134 nan 8.190 nan 0.000 0.426 143 L N 3.277 124.501 121.223 0.003 0.000 2.385 143 L HA 1.089 5.427 4.340 -0.004 0.000 0.273 143 L C -0.008 176.863 176.870 0.000 0.000 0.990 143 L CA -0.178 54.663 54.840 0.001 0.000 0.821 143 L CB 2.024 44.081 42.059 -0.003 0.000 1.279 143 L HN 0.664 nan 8.230 nan 0.000 0.412 144 G N 1.515 110.319 108.800 0.007 0.000 2.511 144 G HA2 0.681 4.638 3.960 -0.004 0.000 0.318 144 G HA3 0.681 4.638 3.960 -0.004 0.000 0.318 144 G C -1.155 173.767 174.900 0.037 0.000 1.210 144 G CA -0.421 44.690 45.100 0.018 0.000 0.969 144 G HN 0.892 nan 8.290 nan 0.000 0.484 145 S N -0.855 114.878 115.700 0.055 0.000 2.526 145 S HA 0.680 5.148 4.470 -0.004 0.000 0.293 145 S C -1.372 173.320 174.600 0.154 0.000 1.092 145 S CA -0.806 57.437 58.200 0.073 0.000 0.980 145 S CB 1.778 64.995 63.200 0.028 0.000 1.048 145 S HN 0.780 nan 8.310 nan 0.000 0.483 146 Y N 1.312 121.624 120.300 0.021 0.000 2.446 146 Y HA 0.647 5.195 4.550 -0.004 0.000 0.345 146 Y C -0.730 175.194 175.900 0.040 0.000 0.984 146 Y CA -0.716 57.405 58.100 0.034 0.000 1.058 146 Y CB 2.025 40.509 38.460 0.039 0.000 1.220 146 Y HN 0.789 nan 8.280 nan 0.000 0.455 147 Q N 4.010 123.298 119.800 -0.853 0.000 2.394 147 Q HA 0.213 4.550 4.340 -0.004 0.000 0.261 147 Q C -1.886 173.613 176.000 -0.835 0.000 1.023 147 Q CA -0.613 54.824 55.803 -0.611 0.000 0.720 147 Q CB 0.298 28.864 28.738 -0.287 0.000 1.241 147 Q HN 0.712 nan 8.270 nan 0.000 0.483 148 H N 3.580 122.210 119.070 -0.733 0.000 3.118 148 H HA 0.414 4.968 4.556 -0.004 0.000 0.266 148 H C 1.132 176.333 175.328 -0.211 0.000 1.465 148 H CA 1.474 57.290 56.048 -0.386 0.000 1.460 148 H CB -0.214 29.483 29.762 -0.109 0.000 1.661 148 H HN 0.900 nan 8.280 nan 0.000 0.516 149 G N 3.544 112.154 108.800 -0.316 0.000 2.677 149 G HA2 -0.377 3.581 3.960 -0.004 0.000 0.321 149 G HA3 -0.377 3.581 3.960 -0.004 0.000 0.321 149 G C 0.871 175.681 174.900 -0.149 0.000 1.181 149 G CA 0.813 45.776 45.100 -0.227 0.000 0.965 149 G HN 1.104 nan 8.290 nan 0.000 0.548 150 A N -1.247 121.507 122.820 -0.110 0.000 2.701 150 A HA 0.603 4.921 4.320 -0.004 0.000 0.241 150 A C 1.646 179.209 177.584 -0.034 0.000 1.231 150 A CA 1.381 53.379 52.037 -0.065 0.000 1.003 150 A CB 0.402 19.369 19.000 -0.054 0.000 1.281 150 A HN 0.709 nan 8.150 nan 0.000 0.600 151 R N -0.068 120.413 120.500 -0.032 0.000 2.300 151 R HA 0.376 4.714 4.340 -0.004 0.000 0.199 151 R C -0.174 176.145 176.300 0.033 0.000 0.920 151 R CA 0.582 56.682 56.100 -0.001 0.000 1.046 151 R CB 0.310 30.608 30.300 -0.003 0.000 0.984 151 R HN 0.330 nan 8.270 nan 0.000 0.493 152 I N 0.040 120.632 120.570 0.037 0.000 2.715 152 I HA 0.378 4.546 4.170 -0.004 0.000 0.288 152 I C -1.724 174.408 176.117 0.026 0.000 1.371 152 I CA -0.383 60.951 61.300 0.056 0.000 1.056 152 I CB 1.785 39.824 38.000 0.065 0.000 1.339 152 I HN 0.129 nan 8.210 nan 0.000 0.425 153 G N 6.695 115.527 108.800 0.053 0.000 2.542 153 G HA2 0.673 4.631 3.960 -0.004 0.000 0.311 153 G HA3 0.673 4.631 3.960 -0.004 0.000 0.311 153 G C -1.162 173.765 174.900 0.045 0.000 1.298 153 G CA -0.502 44.613 45.100 0.025 0.000 0.973 153 G HN 0.703 nan 8.290 nan 0.000 0.487 154 V N -0.132 119.812 119.914 0.051 0.000 2.864 154 V HA 0.868 4.985 4.120 -0.004 0.000 0.314 154 V C -1.271 174.844 176.094 0.035 0.000 1.073 154 V CA -1.310 61.020 62.300 0.051 0.000 0.956 154 V CB 1.948 33.830 31.823 0.099 0.000 1.023 154 V HN 0.543 nan 8.190 nan 0.000 0.435 155 L N 3.762 124.992 121.223 0.012 0.000 2.372 155 L HA 0.744 5.082 4.340 -0.004 0.000 0.274 155 L C -0.480 176.420 176.870 0.051 0.000 0.988 155 L CA -0.277 54.563 54.840 0.001 0.000 0.833 155 L CB 1.602 43.621 42.059 -0.067 0.000 1.236 155 L HN 0.723 nan 8.230 nan 0.000 0.410 156 V N 3.487 123.435 119.914 0.056 0.000 2.540 156 V HA 0.892 5.010 4.120 -0.004 0.000 0.302 156 V C -0.239 175.881 176.094 0.045 0.000 1.035 156 V CA -0.574 61.776 62.300 0.085 0.000 0.873 156 V CB 1.839 33.704 31.823 0.070 0.000 0.992 156 V HN 0.854 nan 8.190 nan 0.000 0.428 157 A N 4.236 127.088 122.820 0.052 0.000 2.356 157 A HA 0.965 5.283 4.320 -0.004 0.000 0.310 157 A C -0.393 177.207 177.584 0.028 0.000 1.075 157 A CA -0.265 51.788 52.037 0.026 0.000 0.746 157 A CB 1.627 20.636 19.000 0.016 0.000 1.221 157 A HN 1.466 nan 8.150 nan 0.000 0.443 158 A N 1.736 124.562 122.820 0.010 0.000 2.446 158 A HA 0.707 5.025 4.320 -0.004 0.000 0.282 158 A C -0.011 177.570 177.584 -0.004 0.000 1.102 158 A CA -0.022 52.016 52.037 0.001 0.000 0.737 158 A CB 0.569 19.557 19.000 -0.019 0.000 1.212 158 A HN 1.618 nan 8.150 nan 0.000 0.434 159 K N 0.955 121.356 120.400 0.001 0.000 2.110 159 K HA 0.532 4.849 4.320 -0.004 0.000 0.260 159 K C 0.935 177.532 176.600 -0.005 0.000 1.126 159 K CA 0.223 56.510 56.287 -0.000 0.000 1.005 159 K CB -0.360 32.143 32.500 0.004 0.000 1.336 159 K HN 2.408 nan 8.250 nan 0.000 0.369 160 G N -1.274 107.520 108.800 -0.010 0.000 3.732 160 G HA2 0.409 4.366 3.960 -0.004 0.000 0.220 160 G HA3 0.409 4.366 3.960 -0.004 0.000 0.220 160 G C 0.156 175.046 174.900 -0.016 0.000 0.903 160 G CA 0.484 45.578 45.100 -0.010 0.000 0.896 160 G HN 1.427 nan 8.290 nan 0.000 0.685 161 A N 0.147 122.948 122.820 -0.032 0.000 2.389 161 A HA 0.856 5.173 4.320 -0.004 0.000 0.293 161 A C -0.203 177.348 177.584 -0.055 0.000 1.186 161 A CA 0.123 52.127 52.037 -0.056 0.000 0.828 161 A CB 1.323 20.264 19.000 -0.099 0.000 1.369 161 A HN 0.286 nan 8.150 nan 0.000 0.446 162 D N -0.989 119.364 120.400 -0.079 0.000 2.560 162 D HA 0.214 4.852 4.640 -0.004 0.000 0.277 162 D C 0.625 176.872 176.300 -0.088 0.000 1.194 162 D CA 0.074 54.033 54.000 -0.070 0.000 1.092 162 D CB 0.038 40.801 40.800 -0.061 0.000 1.169 162 D HN 0.498 nan 8.370 nan 0.000 0.607 163 E N 0.602 120.754 120.200 -0.080 0.000 2.014 163 E HA -0.203 4.144 4.350 -0.004 0.000 0.190 163 E C 1.632 178.154 176.600 -0.131 0.000 0.980 163 E CA 1.004 57.358 56.400 -0.077 0.000 0.807 163 E CB -0.962 28.709 29.700 -0.048 0.000 0.770 163 E HN 0.620 nan 8.360 nan 0.000 0.451 164 E N 0.515 120.609 120.200 -0.176 0.000 2.136 164 E HA -0.190 4.157 4.350 -0.004 0.000 0.202 164 E C 2.127 178.417 176.600 -0.515 0.000 1.019 164 E CA 1.092 57.290 56.400 -0.335 0.000 0.819 164 E CB -0.105 29.402 29.700 -0.322 0.000 0.739 164 E HN 0.171 nan 8.360 nan 0.000 0.458 165 L N 0.456 121.459 121.223 -0.367 0.000 1.988 165 L HA -0.167 4.170 4.340 -0.004 0.000 0.207 165 L C 2.680 179.425 176.870 -0.209 0.000 1.071 165 L CA 1.610 56.237 54.840 -0.355 0.000 0.744 165 L CB -0.981 40.861 42.059 -0.362 0.000 0.893 165 L HN 0.137 nan 8.230 nan 0.000 0.433 166 V N -1.529 118.300 119.914 -0.142 0.000 2.332 166 V HA -0.310 3.808 4.120 -0.004 0.000 0.248 166 V C 2.592 178.677 176.094 -0.015 0.000 1.055 166 V CA 1.949 64.209 62.300 -0.067 0.000 1.038 166 V CB -1.088 30.711 31.823 -0.040 0.000 0.651 166 V HN 0.412 nan 8.190 nan 0.000 0.450 167 K N 0.010 120.399 120.400 -0.018 0.000 2.001 167 K HA -0.294 4.023 4.320 -0.004 0.000 0.223 167 K C 2.254 178.921 176.600 0.111 0.000 1.055 167 K CA 2.592 58.911 56.287 0.054 0.000 0.965 167 K CB -0.524 32.003 32.500 0.044 0.000 0.730 167 K HN 0.718 nan 8.250 nan 0.000 0.449 168 H N -0.473 118.571 119.070 -0.043 0.000 2.289 168 H HA -0.185 4.369 4.556 -0.004 0.000 0.294 168 H C 2.332 177.705 175.328 0.075 0.000 1.095 168 H CA 1.468 57.523 56.048 0.011 0.000 1.256 168 H CB -0.216 29.602 29.762 0.094 0.000 1.359 168 H HN 0.367 nan 8.280 nan 0.000 0.487 169 I N 0.809 121.449 120.570 0.117 0.000 2.614 169 I HA -0.095 4.073 4.170 -0.004 0.000 0.258 169 I C 2.353 178.500 176.117 0.050 0.000 1.189 169 I CA 1.222 62.541 61.300 0.033 0.000 1.462 169 I CB -0.156 37.767 38.000 -0.128 0.000 1.092 169 I HN 0.173 nan 8.210 nan 0.000 0.442 170 A N 0.765 123.614 122.820 0.048 0.000 1.929 170 A HA -0.092 4.226 4.320 -0.004 0.000 0.216 170 A C 2.320 179.928 177.584 0.039 0.000 1.176 170 A CA 1.753 53.830 52.037 0.066 0.000 0.628 170 A CB -0.597 18.469 19.000 0.110 0.000 0.816 170 A HN 0.518 nan 8.150 nan 0.000 0.444 171 M N -1.506 118.041 119.600 -0.088 0.000 2.086 171 M HA -0.179 4.299 4.480 -0.004 0.000 0.261 171 M C 2.237 178.448 176.300 -0.148 0.000 1.067 171 M CA 2.177 57.260 55.300 -0.362 0.000 1.116 171 M CB -0.762 31.564 32.600 -0.457 0.000 1.348 171 M HN 0.778 nan 8.290 nan 0.000 0.407 172 H N 0.270 119.292 119.070 -0.080 0.000 2.353 172 H HA -0.111 4.442 4.556 -0.004 0.000 0.300 172 H C 1.834 177.101 175.328 -0.101 0.000 1.090 172 H CA 1.877 57.898 56.048 -0.046 0.000 1.327 172 H CB 0.093 29.930 29.762 0.125 0.000 1.383 172 H HN 0.071 nan 8.280 nan 0.000 0.508 173 V N 0.911 120.867 119.914 0.070 0.000 2.343 173 V HA -0.267 3.851 4.120 -0.004 0.000 0.247 173 V C 2.738 178.769 176.094 -0.104 0.000 1.051 173 V CA 1.630 63.889 62.300 -0.069 0.000 1.036 173 V CB -1.181 30.554 31.823 -0.147 0.000 0.654 173 V HN 0.720 nan 8.190 nan 0.000 0.451 174 A N -0.380 122.411 122.820 -0.047 0.000 2.070 174 A HA 0.146 4.463 4.320 -0.004 0.000 0.220 174 A C 1.819 179.307 177.584 -0.159 0.000 1.159 174 A CA 1.594 53.615 52.037 -0.027 0.000 0.656 174 A CB -0.328 18.774 19.000 0.169 0.000 0.800 174 A HN 0.680 nan 8.150 nan 0.000 0.453 175 A N -1.829 120.841 122.820 -0.250 0.000 2.855 175 A HA 0.636 4.953 4.320 -0.004 0.000 0.301 175 A C 0.674 178.032 177.584 -0.377 0.000 1.076 175 A CA 0.528 52.370 52.037 -0.326 0.000 1.004 175 A CB 0.141 18.913 19.000 -0.380 0.000 1.152 175 A HN 0.223 nan 8.150 nan 0.000 0.531 176 S N -0.663 114.837 115.700 -0.333 0.000 2.184 176 S HA 0.106 4.573 4.470 -0.004 0.000 0.253 176 S C 0.114 174.593 174.600 -0.203 0.000 0.950 176 S CA -0.085 57.911 58.200 -0.340 0.000 1.541 176 S CB -0.088 62.730 63.200 -0.635 0.000 1.172 176 S HN 0.583 nan 8.310 nan 0.000 0.577 177 K N 1.664 121.967 120.400 -0.161 0.000 3.278 177 K HA -0.130 4.188 4.320 -0.004 0.000 0.270 177 K C -2.909 173.642 176.600 -0.083 0.000 0.955 177 K CA 0.732 56.963 56.287 -0.093 0.000 0.723 177 K CB -1.283 31.172 32.500 -0.075 0.000 1.382 177 K HN 0.372 nan 8.250 nan 0.000 0.461 178 P HA -0.028 nan 4.420 nan 0.000 0.271 178 P C 0.028 177.364 177.300 0.061 0.000 1.216 178 P CA 0.202 63.260 63.100 -0.070 0.000 0.771 178 P CB 0.985 32.584 31.700 -0.169 0.000 0.864 179 E N 1.044 121.190 120.200 -0.090 0.000 2.170 179 E HA 0.020 4.367 4.350 -0.004 0.000 0.191 179 E C -0.023 176.452 176.600 -0.208 0.000 0.981 179 E CA 0.931 57.162 56.400 -0.282 0.000 0.830 179 E CB -0.030 29.229 29.700 -0.734 0.000 0.775 179 E HN 0.422 nan 8.360 nan 0.000 0.470 180 F N -0.607 119.511 119.950 0.279 0.000 2.593 180 F HA 0.242 4.766 4.527 -0.004 0.000 0.320 180 F C 0.783 176.815 175.800 0.387 0.000 1.060 180 F CA -1.294 56.855 58.000 0.249 0.000 0.940 180 F CB 0.797 39.880 39.000 0.138 0.000 1.268 180 F HN -0.239 nan 8.300 nan 0.000 0.475 181 I N 0.966 121.877 120.570 0.569 0.000 2.617 181 I HA 0.004 4.171 4.170 -0.004 0.000 0.256 181 I C 0.100 176.372 176.117 0.259 0.000 1.167 181 I CA 1.238 62.843 61.300 0.507 0.000 1.469 181 I CB -0.456 37.775 38.000 0.385 0.000 1.098 181 I HN 0.678 nan 8.210 nan 0.000 0.436 182 K N -0.348 120.184 120.400 0.220 0.000 2.551 182 K HA 0.404 4.722 4.320 -0.004 0.000 0.269 182 K C -2.726 173.955 176.600 0.135 0.000 0.949 182 K CA -1.325 55.045 56.287 0.139 0.000 0.849 182 K CB 1.266 33.814 32.500 0.081 0.000 1.411 182 K HN -0.401 nan 8.250 nan 0.000 0.432 183 P HA -0.171 nan 4.420 nan 0.000 0.218 183 P C 0.217 177.546 177.300 0.050 0.000 1.146 183 P CA 1.396 64.564 63.100 0.115 0.000 0.813 183 P CB 0.202 31.958 31.700 0.092 0.000 0.778 184 E N -1.024 119.182 120.200 0.010 0.000 2.299 184 E HA -0.098 4.249 4.350 -0.004 0.000 0.193 184 E C 1.355 177.887 176.600 -0.112 0.000 0.998 184 E CA 0.635 57.014 56.400 -0.036 0.000 0.851 184 E CB -0.763 28.924 29.700 -0.023 0.000 0.795 184 E HN 0.255 nan 8.360 nan 0.000 0.492 185 D N 0.449 120.753 120.400 -0.160 0.000 2.311 185 D HA -0.100 4.537 4.640 -0.004 0.000 0.212 185 D C 0.282 176.213 176.300 -0.615 0.000 0.972 185 D CA 0.517 54.323 54.000 -0.323 0.000 0.887 185 D CB -0.399 40.221 40.800 -0.300 0.000 0.915 185 D HN 0.132 nan 8.370 nan 0.000 0.497 186 V N -0.415 119.153 119.914 -0.576 0.000 2.584 186 V HA -0.059 4.059 4.120 -0.004 0.000 0.303 186 V C 0.751 176.662 176.094 -0.305 0.000 1.035 186 V CA -0.784 61.189 62.300 -0.545 0.000 1.172 186 V CB 0.273 32.037 31.823 -0.098 0.000 0.896 186 V HN 0.013 nan 8.190 nan 0.000 0.486 187 S N 4.406 119.960 115.700 -0.242 0.000 2.811 187 S HA 0.221 4.688 4.470 -0.004 0.000 0.325 187 S C 1.585 176.156 174.600 -0.049 0.000 1.224 187 S CA 0.013 58.157 58.200 -0.093 0.000 1.125 187 S CB 0.022 63.225 63.200 0.006 0.000 0.867 187 S HN 1.662 nan 8.310 nan 0.000 0.512 188 A N 4.297 127.083 122.820 -0.057 0.000 2.032 188 A HA -0.066 4.252 4.320 -0.004 0.000 0.221 188 A C 2.124 179.695 177.584 -0.022 0.000 1.165 188 A CA 2.146 54.157 52.037 -0.043 0.000 0.645 188 A CB -1.180 17.793 19.000 -0.044 0.000 0.807 188 A HN 1.032 nan 8.150 nan 0.000 0.453 189 E N -1.164 119.031 120.200 -0.008 0.000 2.057 189 E HA 0.062 4.409 4.350 -0.004 0.000 0.190 189 E C 2.150 178.763 176.600 0.022 0.000 0.969 189 E CA 1.027 57.431 56.400 0.007 0.000 0.812 189 E CB -1.237 28.470 29.700 0.011 0.000 0.777 189 E HN 0.512 nan 8.360 nan 0.000 0.455 190 V N 0.456 120.393 119.914 0.038 0.000 2.453 190 V HA -0.227 3.891 4.120 -0.004 0.000 0.252 190 V C 2.407 178.532 176.094 0.051 0.000 1.068 190 V CA 2.170 64.507 62.300 0.063 0.000 1.070 190 V CB -0.084 31.807 31.823 0.113 0.000 0.664 190 V HN 0.465 nan 8.190 nan 0.000 0.461 191 V N -0.960 118.976 119.914 0.037 0.000 2.992 191 V HA -0.036 4.081 4.120 -0.004 0.000 0.250 191 V C 2.211 178.317 176.094 0.019 0.000 1.090 191 V CA 1.455 63.769 62.300 0.023 0.000 1.101 191 V CB -0.056 31.780 31.823 0.022 0.000 0.743 191 V HN 0.623 nan 8.190 nan 0.000 0.468 192 E N 0.014 120.218 120.200 0.007 0.000 2.418 192 E HA -0.213 4.135 4.350 -0.004 0.000 0.197 192 E C 1.946 178.587 176.600 0.068 0.000 1.026 192 E CA 0.800 57.205 56.400 0.008 0.000 0.862 192 E CB 0.258 29.951 29.700 -0.012 0.000 0.799 192 E HN 0.401 nan 8.360 nan 0.000 0.518 193 K N 0.084 120.518 120.400 0.057 0.000 2.387 193 K HA -0.007 4.311 4.320 -0.004 0.000 0.197 193 K C 1.611 178.230 176.600 0.033 0.000 1.127 193 K CA 0.648 56.967 56.287 0.052 0.000 0.950 193 K CB 0.286 32.806 32.500 0.033 0.000 1.017 193 K HN -0.087 nan 8.250 nan 0.000 0.519 194 E N -0.661 119.544 120.200 0.007 0.000 2.338 194 E HA -0.181 4.166 4.350 -0.004 0.000 0.197 194 E C 1.479 178.039 176.600 -0.067 0.000 1.007 194 E CA 1.121 57.479 56.400 -0.069 0.000 0.849 194 E CB -0.235 29.368 29.700 -0.162 0.000 0.774 194 E HN 0.463 nan 8.360 nan 0.000 0.506 195 Y N -0.152 120.080 120.300 -0.114 0.000 2.436 195 Y HA 0.202 4.749 4.550 -0.004 0.000 0.288 195 Y C 1.780 177.646 175.900 -0.056 0.000 1.112 195 Y CA 0.905 58.951 58.100 -0.090 0.000 1.220 195 Y CB -0.022 38.398 38.460 -0.067 0.000 1.073 195 Y HN 0.002 nan 8.280 nan 0.000 0.552 196 Q N -0.346 119.540 119.800 0.143 0.000 2.444 196 Q HA 0.042 4.379 4.340 -0.004 0.000 0.206 196 Q C 1.640 177.609 176.000 -0.051 0.000 0.948 196 Q CA 0.702 56.536 55.803 0.051 0.000 0.946 196 Q CB 0.284 29.098 28.738 0.127 0.000 1.027 196 Q HN 0.457 nan 8.270 nan 0.000 0.513 197 V N -1.207 118.663 119.914 -0.074 0.000 3.212 197 V HA 0.040 4.158 4.120 -0.004 0.000 0.244 197 V C 1.314 177.343 176.094 -0.108 0.000 1.151 197 V CA 0.720 62.977 62.300 -0.072 0.000 1.119 197 V CB 0.402 32.199 31.823 -0.042 0.000 0.838 197 V HN 0.258 nan 8.190 nan 0.000 0.470 198 Q N -0.329 119.375 119.800 -0.159 0.000 2.451 198 Q HA 0.091 4.429 4.340 -0.004 0.000 0.206 198 Q C 1.791 177.658 176.000 -0.220 0.000 0.947 198 Q CA 0.655 56.358 55.803 -0.166 0.000 0.937 198 Q CB 0.355 28.994 28.738 -0.165 0.000 1.025 198 Q HN 0.618 nan 8.270 nan 0.000 0.511 199 L N 0.064 121.102 121.223 -0.308 0.000 2.554 199 L HA -0.058 4.280 4.340 -0.004 0.000 0.226 199 L C 0.477 177.249 176.870 -0.163 0.000 1.137 199 L CA 0.699 55.350 54.840 -0.316 0.000 0.863 199 L CB 0.307 42.083 42.059 -0.473 0.000 0.985 199 L HN 0.040 nan 8.230 nan 0.000 0.451 200 D N -0.535 119.793 120.400 -0.120 0.000 2.290 200 D HA -0.047 4.590 4.640 -0.004 0.000 0.224 200 D C 2.193 178.460 176.300 -0.055 0.000 0.967 200 D CA 0.780 54.738 54.000 -0.069 0.000 0.893 200 D CB 0.109 40.879 40.800 -0.050 0.000 1.037 200 D HN 0.032 nan 8.370 nan 0.000 0.477 201 I N 1.743 122.278 120.570 -0.057 0.000 2.161 201 I HA -0.351 3.817 4.170 -0.004 0.000 0.246 201 I C 2.285 178.377 176.117 -0.041 0.000 1.048 201 I CA 1.630 62.905 61.300 -0.042 0.000 1.314 201 I CB -1.641 36.331 38.000 -0.048 0.000 1.014 201 I HN -0.025 nan 8.210 nan 0.000 0.418 202 A N 0.089 122.873 122.820 -0.061 0.000 1.855 202 A HA -0.058 4.259 4.320 -0.004 0.000 0.213 202 A C 2.373 179.934 177.584 -0.038 0.000 1.195 202 A CA 1.217 53.221 52.037 -0.055 0.000 0.610 202 A CB -0.465 18.490 19.000 -0.075 0.000 0.837 202 A HN 0.339 nan 8.150 nan 0.000 0.444 203 M N -0.845 118.728 119.600 -0.044 0.000 2.254 203 M HA -0.125 4.352 4.480 -0.004 0.000 0.265 203 M C 2.318 178.613 176.300 -0.008 0.000 1.066 203 M CA 1.042 56.327 55.300 -0.026 0.000 1.123 203 M CB -0.425 32.156 32.600 -0.032 0.000 1.388 203 M HN 0.518 nan 8.290 nan 0.000 0.425 204 Q N -0.863 118.932 119.800 -0.008 0.000 2.167 204 Q HA -0.118 4.220 4.340 -0.004 0.000 0.202 204 Q C 1.974 177.987 176.000 0.021 0.000 0.970 204 Q CA 1.116 56.923 55.803 0.007 0.000 0.855 204 Q CB -0.014 28.726 28.738 0.004 0.000 0.911 204 Q HN 0.326 nan 8.270 nan 0.000 0.438 205 S N -1.347 114.362 115.700 0.015 0.000 2.537 205 S HA -0.073 4.394 4.470 -0.004 0.000 0.240 205 S C 1.220 175.840 174.600 0.032 0.000 0.981 205 S CA 1.014 59.230 58.200 0.026 0.000 0.948 205 S CB -0.176 63.028 63.200 0.007 0.000 0.759 205 S HN 0.692 nan 8.310 nan 0.000 0.531 206 G N 0.365 109.181 108.800 0.026 0.000 2.218 206 G HA2 -0.210 3.748 3.960 -0.004 0.000 0.216 206 G HA3 -0.210 3.748 3.960 -0.004 0.000 0.216 206 G C -0.030 174.886 174.900 0.027 0.000 0.994 206 G CA -0.124 44.996 45.100 0.032 0.000 0.637 206 G HN 0.515 nan 8.290 nan 0.000 0.505 207 K N 2.313 122.723 120.400 0.017 0.000 2.527 207 K HA 0.293 4.611 4.320 -0.004 0.000 0.278 207 K C -1.821 174.787 176.600 0.013 0.000 0.981 207 K CA -0.441 55.856 56.287 0.017 0.000 1.009 207 K CB 0.498 32.999 32.500 0.002 0.000 0.895 207 K HN 0.225 nan 8.250 nan 0.000 0.493 208 P HA -0.076 nan 4.420 nan 0.000 0.270 208 P C 0.260 177.563 177.300 0.005 0.000 1.223 208 P CA -0.031 63.075 63.100 0.010 0.000 0.785 208 P CB 0.774 32.479 31.700 0.008 0.000 0.923 209 K N 1.314 121.718 120.400 0.006 0.000 1.988 209 K HA -0.236 4.081 4.320 -0.004 0.000 0.221 209 K C 1.736 178.343 176.600 0.011 0.000 1.053 209 K CA 2.305 58.596 56.287 0.007 0.000 0.959 209 K CB -0.311 32.197 32.500 0.014 0.000 0.728 209 K HN 0.414 nan 8.250 nan 0.000 0.447 210 E N 0.448 120.657 120.200 0.015 0.000 2.265 210 E HA -0.172 4.176 4.350 -0.004 0.000 0.196 210 E C 1.773 178.385 176.600 0.020 0.000 0.996 210 E CA 0.957 57.370 56.400 0.022 0.000 0.832 210 E CB -0.217 29.493 29.700 0.016 0.000 0.756 210 E HN 0.321 nan 8.360 nan 0.000 0.491 211 I N 0.943 121.517 120.570 0.008 0.000 2.286 211 I HA -0.119 4.048 4.170 -0.004 0.000 0.245 211 I C 2.210 178.330 176.117 0.005 0.000 1.104 211 I CA 1.191 62.495 61.300 0.007 0.000 1.397 211 I CB -0.641 37.356 38.000 -0.005 0.000 1.072 211 I HN 0.138 nan 8.210 nan 0.000 0.417 212 A N -0.342 122.473 122.820 -0.008 0.000 1.898 212 A HA -0.197 4.121 4.320 -0.004 0.000 0.216 212 A C 2.269 179.831 177.584 -0.036 0.000 1.181 212 A CA 1.528 53.546 52.037 -0.033 0.000 0.620 212 A CB -0.607 18.364 19.000 -0.049 0.000 0.819 212 A HN 0.416 nan 8.150 nan 0.000 0.442 213 E N -0.410 119.790 120.200 0.000 0.000 2.012 213 E HA -0.245 4.103 4.350 -0.004 0.000 0.197 213 E C 2.123 178.784 176.600 0.102 0.000 1.007 213 E CA 1.698 58.138 56.400 0.067 0.000 0.816 213 E CB -0.143 29.621 29.700 0.106 0.000 0.762 213 E HN 0.591 nan 8.360 nan 0.000 0.451 214 K N 0.128 120.574 120.400 0.077 0.000 2.074 214 K HA -0.199 4.119 4.320 -0.004 0.000 0.209 214 K C 2.180 178.828 176.600 0.079 0.000 1.048 214 K CA 1.627 57.962 56.287 0.081 0.000 0.926 214 K CB -0.031 32.508 32.500 0.065 0.000 0.713 214 K HN 0.118 nan 8.250 nan 0.000 0.444 215 M N 0.014 119.645 119.600 0.052 0.000 2.067 215 M HA -0.177 4.300 4.480 -0.004 0.000 0.260 215 M C 2.158 178.477 176.300 0.032 0.000 1.069 215 M CA 1.416 56.738 55.300 0.037 0.000 1.117 215 M CB -0.198 32.405 32.600 0.004 0.000 1.334 215 M HN 0.002 nan 8.290 nan 0.000 0.407 216 V N 0.584 120.500 119.914 0.002 0.000 2.332 216 V HA -0.296 3.821 4.120 -0.004 0.000 0.248 216 V C 2.197 178.353 176.094 0.103 0.000 1.055 216 V CA 2.329 64.617 62.300 -0.020 0.000 1.038 216 V CB -0.937 30.761 31.823 -0.209 0.000 0.651 216 V HN 0.543 nan 8.190 nan 0.000 0.450 217 E N 0.520 120.829 120.200 0.182 0.000 2.058 217 E HA -0.181 4.167 4.350 -0.004 0.000 0.194 217 E C 2.287 178.965 176.600 0.130 0.000 0.997 217 E CA 1.626 58.142 56.400 0.194 0.000 0.801 217 E CB -0.610 29.189 29.700 0.165 0.000 0.746 217 E HN 0.529 nan 8.360 nan 0.000 0.450 218 G N 0.639 109.504 108.800 0.110 0.000 2.459 218 G HA2 -0.341 3.616 3.960 -0.004 0.000 0.217 218 G HA3 -0.341 3.616 3.960 -0.004 0.000 0.217 218 G C 1.744 176.709 174.900 0.109 0.000 1.183 218 G CA 0.909 46.071 45.100 0.105 0.000 0.776 218 G HN 0.173 nan 8.290 nan 0.000 0.552 219 R N -0.197 120.359 120.500 0.095 0.000 2.117 219 R HA 0.021 4.358 4.340 -0.004 0.000 0.243 219 R C 2.624 179.021 176.300 0.162 0.000 1.143 219 R CA 1.366 57.532 56.100 0.109 0.000 0.968 219 R CB -0.359 29.980 30.300 0.065 0.000 0.863 219 R HN 0.308 nan 8.270 nan 0.000 0.444 220 M N 0.335 120.014 119.600 0.132 0.000 2.156 220 M HA -0.104 4.374 4.480 -0.004 0.000 0.264 220 M C 2.068 178.480 176.300 0.187 0.000 1.067 220 M CA 1.346 56.727 55.300 0.135 0.000 1.131 220 M CB -0.667 32.007 32.600 0.124 0.000 1.368 220 M HN 0.115 nan 8.290 nan 0.000 0.416 221 K N 0.875 121.365 120.400 0.150 0.000 2.063 221 K HA -0.186 4.131 4.320 -0.004 0.000 0.208 221 K C 1.798 178.493 176.600 0.158 0.000 1.048 221 K CA 1.350 57.719 56.287 0.137 0.000 0.928 221 K CB -0.021 32.543 32.500 0.107 0.000 0.713 221 K HN 0.136 nan 8.250 nan 0.000 0.442 222 K N 0.421 120.921 120.400 0.167 0.000 1.991 222 K HA -0.107 4.210 4.320 -0.004 0.000 0.207 222 K C 2.116 178.829 176.600 0.189 0.000 1.045 222 K CA 1.044 57.423 56.287 0.155 0.000 0.937 222 K CB -0.952 31.628 32.500 0.135 0.000 0.720 222 K HN 0.138 nan 8.250 nan 0.000 0.438 223 F N 2.108 122.101 119.950 0.071 0.000 2.063 223 F HA -0.390 4.134 4.527 -0.004 0.000 0.296 223 F C 2.619 178.473 175.800 0.090 0.000 1.093 223 F CA 2.631 60.675 58.000 0.073 0.000 1.229 223 F CB -0.844 38.202 39.000 0.076 0.000 0.971 223 F HN 0.204 nan 8.300 nan 0.000 0.491 224 T N -0.823 113.985 114.554 0.423 0.000 2.571 224 T HA -0.038 4.310 4.350 -0.004 0.000 0.255 224 T C 2.272 177.088 174.700 0.193 0.000 1.100 224 T CA 2.122 64.415 62.100 0.321 0.000 1.199 224 T CB -1.335 67.700 68.868 0.279 0.000 0.870 224 T HN 0.419 nan 8.240 nan 0.000 0.399 225 G N 1.082 109.979 108.800 0.163 0.000 2.728 225 G HA2 -0.348 3.610 3.960 -0.004 0.000 0.224 225 G HA3 -0.348 3.610 3.960 -0.004 0.000 0.224 225 G C 1.561 176.519 174.900 0.096 0.000 1.139 225 G CA 1.550 46.723 45.100 0.122 0.000 0.761 225 G HN 0.742 nan 8.290 nan 0.000 0.621 226 E N -0.669 119.573 120.200 0.070 0.000 2.106 226 E HA -0.027 4.321 4.350 -0.004 0.000 0.192 226 E C 2.204 178.808 176.600 0.007 0.000 0.984 226 E CA 0.792 57.212 56.400 0.032 0.000 0.806 226 E CB -0.140 29.561 29.700 0.003 0.000 0.750 226 E HN 0.300 nan 8.360 nan 0.000 0.458 227 V N 1.289 121.195 119.914 -0.014 0.000 3.563 227 V HA 0.009 4.126 4.120 -0.004 0.000 0.299 227 V C -0.533 175.569 176.094 0.013 0.000 1.290 227 V CA 0.295 62.563 62.300 -0.053 0.000 1.201 227 V CB -0.156 31.582 31.823 -0.141 0.000 1.045 227 V HN 0.022 nan 8.190 nan 0.000 0.425 228 S N -0.099 115.655 115.700 0.090 0.000 2.561 228 S HA 0.398 4.866 4.470 -0.004 0.000 0.303 228 S C 0.544 175.204 174.600 0.100 0.000 1.110 228 S CA -0.549 57.747 58.200 0.160 0.000 1.034 228 S CB 1.975 65.315 63.200 0.233 0.000 1.010 228 S HN 0.264 nan 8.310 nan 0.000 0.482 229 L N 2.319 123.583 121.223 0.068 0.000 2.054 229 L HA -0.278 4.060 4.340 -0.004 0.000 0.220 229 L C 2.391 179.247 176.870 -0.024 0.000 1.081 229 L CA 1.875 56.698 54.840 -0.028 0.000 0.780 229 L CB -0.582 41.410 42.059 -0.112 0.000 0.893 229 L HN 0.791 nan 8.230 nan 0.000 0.438 230 T N -1.007 113.560 114.554 0.022 0.000 2.684 230 T HA -0.158 4.189 4.350 -0.004 0.000 0.267 230 T C 1.128 175.841 174.700 0.022 0.000 1.036 230 T CA 1.452 63.559 62.100 0.013 0.000 1.148 230 T CB -0.407 68.485 68.868 0.040 0.000 0.863 230 T HN 0.594 nan 8.240 nan 0.000 0.436 231 G N 1.310 110.142 108.800 0.052 0.000 3.678 231 G HA2 0.313 4.271 3.960 -0.004 0.000 0.287 231 G HA3 0.313 4.271 3.960 -0.004 0.000 0.287 231 G C -0.185 174.757 174.900 0.070 0.000 1.280 231 G CA -0.296 44.842 45.100 0.062 0.000 1.118 231 G HN 0.402 nan 8.290 nan 0.000 0.563 232 Q N 1.288 121.130 119.800 0.069 0.000 2.331 232 Q HA 0.256 4.593 4.340 -0.004 0.000 0.267 232 Q C -2.544 173.544 176.000 0.147 0.000 1.006 232 Q CA -2.302 53.577 55.803 0.126 0.000 0.818 232 Q CB 2.860 31.733 28.738 0.226 0.000 1.276 232 Q HN 0.101 nan 8.270 nan 0.000 0.450 233 P HA -0.126 nan 4.420 nan 0.000 0.261 233 P C -0.425 177.037 177.300 0.270 0.000 1.203 233 P CA 0.345 63.545 63.100 0.166 0.000 0.767 233 P CB 0.026 31.797 31.700 0.118 0.000 0.785 234 F N 4.232 124.211 119.950 0.048 0.000 2.604 234 F HA -0.136 4.389 4.527 -0.004 0.000 0.390 234 F C 1.575 177.484 175.800 0.181 0.000 1.053 234 F CA -0.140 57.890 58.000 0.050 0.000 1.256 234 F CB 0.840 39.837 39.000 -0.006 0.000 0.996 234 F HN 0.092 nan 8.300 nan 0.000 0.564 235 V N 7.670 127.576 119.914 -0.013 0.000 3.217 235 V HA -0.176 3.941 4.120 -0.004 0.000 0.264 235 V C 1.425 177.294 176.094 -0.375 0.000 1.135 235 V CA 1.521 63.726 62.300 -0.159 0.000 1.142 235 V CB -0.297 31.464 31.823 -0.103 0.000 0.754 235 V HN 0.896 nan 8.190 nan 0.000 0.484 236 M N -0.809 118.075 119.600 -1.193 0.000 2.356 236 M HA 0.271 4.749 4.480 -0.004 0.000 0.262 236 M C 0.201 176.334 176.300 -0.278 0.000 1.097 236 M CA 0.254 55.075 55.300 -0.798 0.000 0.991 236 M CB 0.693 32.587 32.600 -1.177 0.000 1.450 236 M HN 0.134 nan 8.290 nan 0.000 0.495 237 E N -0.234 119.830 120.200 -0.226 0.000 2.952 237 E HA 0.133 4.480 4.350 -0.004 0.000 0.347 237 E C -2.149 174.531 176.600 0.134 0.000 1.103 237 E CA -0.742 55.717 56.400 0.099 0.000 0.910 237 E CB 0.635 30.503 29.700 0.279 0.000 1.428 237 E HN -0.056 nan 8.360 nan 0.000 0.389 238 P HA -0.151 nan 4.420 nan 0.000 0.226 238 P C 0.700 178.061 177.300 0.101 0.000 1.146 238 P CA 0.900 64.061 63.100 0.102 0.000 0.773 238 P CB 0.164 31.915 31.700 0.084 0.000 0.772 239 S N -0.821 114.937 115.700 0.096 0.000 2.607 239 S HA 0.007 4.475 4.470 -0.004 0.000 0.224 239 S C 0.836 175.484 174.600 0.080 0.000 0.969 239 S CA -0.088 58.157 58.200 0.075 0.000 0.927 239 S CB -0.744 62.490 63.200 0.056 0.000 0.772 239 S HN 0.377 nan 8.310 nan 0.000 0.533 240 K N 0.696 121.163 120.400 0.112 0.000 2.523 240 K HA 0.387 4.705 4.320 -0.004 0.000 0.257 240 K C -0.546 176.129 176.600 0.125 0.000 0.932 240 K CA -0.696 55.653 56.287 0.103 0.000 0.812 240 K CB 1.340 33.900 32.500 0.100 0.000 1.326 240 K HN 0.041 nan 8.250 nan 0.000 0.433 241 T N -1.204 113.398 114.554 0.080 0.000 2.788 241 T HA 0.114 4.462 4.350 -0.004 0.000 0.287 241 T C 1.354 176.060 174.700 0.010 0.000 1.007 241 T CA -0.427 61.711 62.100 0.063 0.000 1.005 241 T CB 0.862 69.755 68.868 0.042 0.000 1.012 241 T HN 0.343 nan 8.240 nan 0.000 0.530 242 V N 1.902 121.778 119.914 -0.064 0.000 2.548 242 V HA 0.084 4.201 4.120 -0.004 0.000 0.249 242 V C 2.979 178.996 176.094 -0.128 0.000 1.055 242 V CA 1.769 63.953 62.300 -0.193 0.000 1.065 242 V CB -1.741 29.884 31.823 -0.329 0.000 0.681 242 V HN 1.101 nan 8.190 nan 0.000 0.462 243 G N 0.342 109.104 108.800 -0.063 0.000 2.574 243 G HA2 -0.427 3.530 3.960 -0.004 0.000 0.220 243 G HA3 -0.427 3.530 3.960 -0.004 0.000 0.220 243 G C 1.543 176.424 174.900 -0.031 0.000 1.173 243 G CA 1.614 46.696 45.100 -0.031 0.000 0.772 243 G HN 0.569 nan 8.290 nan 0.000 0.585 244 Q N -0.099 119.688 119.800 -0.021 0.000 2.096 244 Q HA 0.091 4.429 4.340 -0.004 0.000 0.197 244 Q C 2.356 178.342 176.000 -0.023 0.000 0.964 244 Q CA 0.881 56.676 55.803 -0.013 0.000 0.838 244 Q CB -0.559 28.181 28.738 0.003 0.000 0.906 244 Q HN 0.344 nan 8.270 nan 0.000 0.444 245 L N 0.021 121.214 121.223 -0.050 0.000 2.089 245 L HA -0.178 4.160 4.340 -0.004 0.000 0.213 245 L C 1.810 178.661 176.870 -0.031 0.000 1.079 245 L CA 1.668 56.464 54.840 -0.073 0.000 0.758 245 L CB -0.668 41.220 42.059 -0.285 0.000 0.891 245 L HN 0.445 nan 8.230 nan 0.000 0.433 246 L N 0.157 121.331 121.223 -0.081 0.000 2.023 246 L HA -0.116 4.222 4.340 -0.004 0.000 0.205 246 L C 2.651 179.525 176.870 0.006 0.000 1.073 246 L CA 1.595 56.401 54.840 -0.057 0.000 0.745 246 L CB -0.844 41.166 42.059 -0.083 0.000 0.900 246 L HN 0.133 nan 8.230 nan 0.000 0.435 247 K N 0.151 120.545 120.400 -0.009 0.000 2.148 247 K HA -0.171 4.147 4.320 -0.004 0.000 0.204 247 K C 1.907 178.501 176.600 -0.010 0.000 1.050 247 K CA 1.389 57.673 56.287 -0.005 0.000 0.942 247 K CB -0.209 32.285 32.500 -0.010 0.000 0.724 247 K HN 0.672 nan 8.250 nan 0.000 0.446 248 E N -0.520 119.668 120.200 -0.020 0.000 2.150 248 E HA -0.117 4.231 4.350 -0.004 0.000 0.193 248 E C 0.465 176.987 176.600 -0.130 0.000 0.985 248 E CA 0.789 57.147 56.400 -0.070 0.000 0.814 248 E CB -0.165 29.485 29.700 -0.082 0.000 0.752 248 E HN 0.231 nan 8.360 nan 0.000 0.466 249 H N 1.368 120.402 119.070 -0.060 0.000 2.505 249 H HA 0.072 4.625 4.556 -0.004 0.000 0.355 249 H C 0.728 176.026 175.328 -0.051 0.000 1.179 249 H CA 0.369 56.382 56.048 -0.060 0.000 1.343 249 H CB 1.010 30.722 29.762 -0.084 0.000 1.501 249 H HN 0.367 nan 8.280 nan 0.000 0.569 250 N N 0.395 119.147 118.700 0.086 0.000 2.666 250 N HA -0.013 4.725 4.740 -0.004 0.000 0.194 250 N C 0.379 175.903 175.510 0.023 0.000 1.220 250 N CA -0.025 53.045 53.050 0.033 0.000 0.928 250 N CB 0.474 38.975 38.487 0.024 0.000 0.997 250 N HN 0.315 nan 8.380 nan 0.000 0.447 251 A N 0.590 123.427 122.820 0.029 0.000 2.468 251 A HA 0.705 5.022 4.320 -0.004 0.000 0.270 251 A C -0.607 176.971 177.584 -0.010 0.000 1.217 251 A CA -0.414 51.623 52.037 -0.000 0.000 0.908 251 A CB 1.531 20.517 19.000 -0.024 0.000 1.423 251 A HN 0.265 nan 8.150 nan 0.000 0.459 252 E N -1.665 118.525 120.200 -0.018 0.000 2.401 252 E HA 0.409 4.756 4.350 -0.004 0.000 0.283 252 E C -1.684 174.912 176.600 -0.007 0.000 1.053 252 E CA -0.309 56.084 56.400 -0.012 0.000 0.842 252 E CB 1.469 31.168 29.700 -0.002 0.000 1.222 252 E HN 1.385 nan 8.360 nan 0.000 0.429 253 V N 2.072 121.990 119.914 0.007 0.000 2.370 253 V HA 0.544 4.662 4.120 -0.004 0.000 0.279 253 V C 0.976 177.101 176.094 0.051 0.000 1.029 253 V CA 0.304 62.622 62.300 0.030 0.000 0.870 253 V CB 0.934 32.786 31.823 0.049 0.000 0.984 253 V HN 0.893 nan 8.190 nan 0.000 0.451 254 T N 2.671 117.248 114.554 0.038 0.000 3.035 254 T HA 0.379 4.727 4.350 -0.004 0.000 0.268 254 T C 0.851 175.569 174.700 0.029 0.000 1.109 254 T CA 1.331 63.448 62.100 0.028 0.000 1.119 254 T CB -0.763 68.115 68.868 0.016 0.000 0.900 254 T HN 2.036 nan 8.240 nan 0.000 0.503 255 G N 0.088 108.926 108.800 0.064 0.000 2.336 255 G HA2 0.416 4.373 3.960 -0.004 0.000 0.300 255 G HA3 0.416 4.373 3.960 -0.004 0.000 0.300 255 G C -1.514 173.462 174.900 0.126 0.000 1.375 255 G CA -0.539 44.583 45.100 0.036 0.000 0.885 255 G HN 0.714 nan 8.290 nan 0.000 0.599 256 F N -1.483 118.453 119.950 -0.023 0.000 2.668 256 F HA 0.898 5.423 4.527 -0.004 0.000 0.309 256 F C -1.277 174.473 175.800 -0.083 0.000 1.117 256 F CA -1.614 56.360 58.000 -0.044 0.000 0.951 256 F CB 1.689 40.675 39.000 -0.023 0.000 1.323 256 F HN 0.513 nan 8.300 nan 0.000 0.451 257 I N 2.615 123.208 120.570 0.039 0.000 2.571 257 I HA 0.444 4.612 4.170 -0.004 0.000 0.289 257 I C -1.263 174.780 176.117 -0.123 0.000 1.115 257 I CA -0.589 60.611 61.300 -0.166 0.000 1.045 257 I CB 2.282 40.083 38.000 -0.331 0.000 1.238 257 I HN 0.869 nan 8.210 nan 0.000 0.424 258 R N 5.706 126.129 120.500 -0.128 0.000 2.451 258 R HA 0.646 4.984 4.340 -0.004 0.000 0.307 258 R C -2.070 174.180 176.300 -0.084 0.000 0.965 258 R CA -0.362 55.691 56.100 -0.079 0.000 0.865 258 R CB 0.915 31.247 30.300 0.054 0.000 1.174 258 R HN 0.272 nan 8.270 nan 0.000 0.455 259 F N 1.498 121.470 119.950 0.036 0.000 2.436 259 F HA 0.412 4.937 4.527 -0.004 0.000 0.340 259 F C 0.498 176.306 175.800 0.012 0.000 1.113 259 F CA -0.785 57.226 58.000 0.019 0.000 1.022 259 F CB 2.108 41.112 39.000 0.007 0.000 1.128 259 F HN 0.537 nan 8.300 nan 0.000 0.466 260 E N 2.445 122.778 120.200 0.222 0.000 2.222 260 E HA 0.351 4.699 4.350 -0.004 0.000 0.267 260 E C -1.164 175.476 176.600 0.067 0.000 0.884 260 E CA -0.864 55.603 56.400 0.111 0.000 0.764 260 E CB 2.313 32.056 29.700 0.071 0.000 1.169 260 E HN 0.329 nan 8.360 nan 0.000 0.413 261 V N 3.677 123.614 119.914 0.039 0.000 2.509 261 V HA 0.126 4.243 4.120 -0.004 0.000 0.297 261 V C 1.360 177.457 176.094 0.004 0.000 1.014 261 V CA 1.814 64.120 62.300 0.010 0.000 1.127 261 V CB 0.386 32.211 31.823 0.004 0.000 0.925 261 V HN 1.094 nan 8.190 nan 0.000 0.480 262 G N 3.390 112.186 108.800 -0.007 0.000 2.176 262 G HA2 -0.221 3.737 3.960 -0.004 0.000 0.253 262 G HA3 -0.221 3.737 3.960 -0.004 0.000 0.253 262 G C 0.059 174.962 174.900 0.004 0.000 0.979 262 G CA 0.159 45.257 45.100 -0.004 0.000 0.641 262 G HN 0.713 nan 8.290 nan 0.000 0.530 263 E N -0.108 120.100 120.200 0.013 0.000 2.481 263 E HA 0.337 4.684 4.350 -0.004 0.000 0.263 263 E C 1.573 178.182 176.600 0.017 0.000 0.992 263 E CA 1.087 57.501 56.400 0.023 0.000 0.938 263 E CB 0.195 29.923 29.700 0.048 0.000 0.933 263 E HN 1.331 nan 8.360 nan 0.000 0.453 264 G N 3.089 111.900 108.800 0.019 0.000 2.609 264 G HA2 -0.353 3.604 3.960 -0.004 0.000 0.235 264 G HA3 -0.353 3.604 3.960 -0.004 0.000 0.235 264 G C 0.475 175.382 174.900 0.013 0.000 1.177 264 G CA 0.250 45.360 45.100 0.018 0.000 0.707 264 G HN 0.545 nan 8.290 nan 0.000 0.513 265 I N 1.606 122.181 120.570 0.008 0.000 2.752 265 I HA 0.098 4.266 4.170 -0.004 0.000 0.287 265 I C 1.700 177.823 176.117 0.010 0.000 1.188 265 I CA -0.006 61.298 61.300 0.007 0.000 1.427 265 I CB 0.674 38.676 38.000 0.003 0.000 1.365 265 I HN 0.155 nan 8.210 nan 0.000 0.585 266 E N 3.733 123.940 120.200 0.011 0.000 2.014 266 E HA -0.119 4.229 4.350 -0.004 0.000 0.190 266 E C 0.493 177.100 176.600 0.012 0.000 0.980 266 E CA 0.651 57.058 56.400 0.012 0.000 0.807 266 E CB 0.102 29.810 29.700 0.014 0.000 0.770 266 E HN 0.463 nan 8.360 nan 0.000 0.451 267 K N 1.082 121.489 120.400 0.013 0.000 4.854 267 K HA -0.143 4.175 4.320 -0.004 0.000 0.338 267 K C -0.896 175.714 176.600 0.016 0.000 1.013 267 K CA 0.435 56.731 56.287 0.014 0.000 1.072 267 K CB -2.120 30.387 32.500 0.011 0.000 1.642 267 K HN 0.027 nan 8.250 nan 0.000 0.426 268 V N 2.844 122.769 119.914 0.018 0.000 2.584 268 V HA 0.065 4.183 4.120 -0.004 0.000 0.303 268 V C 0.896 177.003 176.094 0.023 0.000 1.035 268 V CA 0.645 62.956 62.300 0.019 0.000 1.172 268 V CB 0.395 32.229 31.823 0.019 0.000 0.896 268 V HN 0.783 nan 8.190 nan 0.000 0.486 269 E N 5.108 125.321 120.200 0.023 0.000 2.492 269 E HA 0.065 4.412 4.350 -0.004 0.000 0.266 269 E C 0.009 176.631 176.600 0.035 0.000 1.047 269 E CA 1.044 57.460 56.400 0.027 0.000 0.968 269 E CB 0.561 30.277 29.700 0.026 0.000 0.960 269 E HN 0.982 nan 8.360 nan 0.000 0.452 270 T N 2.362 116.943 114.554 0.044 0.000 2.856 270 T HA 0.433 4.780 4.350 -0.004 0.000 0.283 270 T C -1.515 173.232 174.700 0.079 0.000 1.008 270 T CA -0.764 61.373 62.100 0.062 0.000 0.997 270 T CB 0.940 69.850 68.868 0.069 0.000 0.992 270 T HN 0.476 nan 8.240 nan 0.000 0.454 271 D N 3.610 124.067 120.400 0.094 0.000 2.402 271 D HA 0.285 4.922 4.640 -0.004 0.000 0.252 271 D C 0.258 176.648 176.300 0.150 0.000 1.294 271 D CA -0.727 53.337 54.000 0.106 0.000 0.948 271 D CB 0.490 41.326 40.800 0.060 0.000 1.202 271 D HN 0.358 nan 8.370 nan 0.000 0.561 272 F N 4.070 124.037 119.950 0.028 0.000 2.102 272 F HA -0.001 4.524 4.527 -0.004 0.000 0.298 272 F C 2.030 177.842 175.800 0.021 0.000 1.105 272 F CA 1.711 59.730 58.000 0.031 0.000 1.239 272 F CB -0.413 38.619 39.000 0.054 0.000 0.991 272 F HN 0.483 nan 8.300 nan 0.000 0.474 273 A N 0.634 123.451 122.820 -0.005 0.000 1.863 273 A HA -0.254 4.064 4.320 -0.004 0.000 0.218 273 A C 2.460 179.946 177.584 -0.164 0.000 1.233 273 A CA 2.908 54.873 52.037 -0.120 0.000 0.655 273 A CB -1.731 17.240 19.000 -0.048 0.000 0.839 273 A HN 0.518 nan 8.150 nan 0.000 0.454 274 A N -1.050 121.718 122.820 -0.087 0.000 1.930 274 A HA -0.119 4.199 4.320 -0.004 0.000 0.217 274 A C 1.998 179.531 177.584 -0.085 0.000 1.175 274 A CA 1.832 53.827 52.037 -0.071 0.000 0.627 274 A CB -0.581 18.399 19.000 -0.034 0.000 0.815 274 A HN 0.727 nan 8.150 nan 0.000 0.443 275 E N -0.319 119.829 120.200 -0.088 0.000 2.209 275 E HA -0.154 4.194 4.350 -0.004 0.000 0.196 275 E C 1.740 178.268 176.600 -0.120 0.000 0.993 275 E CA 1.419 57.778 56.400 -0.069 0.000 0.819 275 E CB -0.134 29.560 29.700 -0.010 0.000 0.745 275 E HN 0.376 nan 8.360 nan 0.000 0.477 276 V N -0.075 119.695 119.914 -0.241 0.000 2.446 276 V HA 0.032 4.150 4.120 -0.004 0.000 0.244 276 V C 2.119 178.139 176.094 -0.125 0.000 1.039 276 V CA 1.584 63.739 62.300 -0.243 0.000 1.045 276 V CB -0.070 31.485 31.823 -0.446 0.000 0.681 276 V HN 0.389 nan 8.190 nan 0.000 0.459 277 A N -0.028 122.731 122.820 -0.102 0.000 2.024 277 A HA 0.069 4.386 4.320 -0.004 0.000 0.220 277 A C 2.172 179.776 177.584 0.034 0.000 1.164 277 A CA 2.030 54.065 52.037 -0.004 0.000 0.643 277 A CB -0.679 18.298 19.000 -0.038 0.000 0.806 277 A HN 0.973 nan 8.150 nan 0.000 0.451 278 A N -1.831 120.983 122.820 -0.010 0.000 2.348 278 A HA 0.421 4.739 4.320 -0.004 0.000 0.224 278 A C 1.816 179.396 177.584 -0.007 0.000 1.227 278 A CA 0.702 52.741 52.037 0.003 0.000 0.885 278 A CB -0.267 18.728 19.000 -0.009 0.000 0.933 278 A HN 0.525 nan 8.150 nan 0.000 0.506 279 M N -0.068 119.515 119.600 -0.029 0.000 2.486 279 M HA -0.012 4.466 4.480 -0.004 0.000 0.264 279 M C 1.680 177.940 176.300 -0.066 0.000 1.125 279 M CA 1.570 56.845 55.300 -0.043 0.000 1.144 279 M CB 0.235 32.802 32.600 -0.054 0.000 1.353 279 M HN 0.435 nan 8.290 nan 0.000 0.466 280 S N -0.926 114.725 115.700 -0.082 0.000 2.575 280 S HA 0.058 4.525 4.470 -0.004 0.000 0.215 280 S C 1.538 176.040 174.600 -0.164 0.000 0.966 280 S CA -0.181 57.892 58.200 -0.211 0.000 0.911 280 S CB -0.276 62.707 63.200 -0.362 0.000 0.780 280 S HN 0.447 nan 8.310 nan 0.000 0.514 281 K N 0.861 121.293 120.400 0.054 0.000 2.362 281 K HA -0.109 4.209 4.320 -0.004 0.000 0.200 281 K C 2.145 178.774 176.600 0.048 0.000 1.046 281 K CA 1.097 57.465 56.287 0.134 0.000 0.952 281 K CB -0.068 32.481 32.500 0.083 0.000 0.753 281 K HN 0.431 nan 8.250 nan 0.000 0.466 282 Q N 0.018 119.809 119.800 -0.014 0.000 2.096 282 Q HA -0.022 4.316 4.340 -0.004 0.000 0.197 282 Q C 1.747 177.720 176.000 -0.045 0.000 0.964 282 Q CA 1.675 57.464 55.803 -0.024 0.000 0.838 282 Q CB -0.184 28.533 28.738 -0.034 0.000 0.906 282 Q HN 0.100 nan 8.270 nan 0.000 0.444 283 S N -1.061 114.571 115.700 -0.115 0.000 2.558 283 S HA 0.016 4.484 4.470 -0.004 0.000 0.217 283 S C 1.095 175.602 174.600 -0.154 0.000 0.975 283 S CA -0.053 58.060 58.200 -0.145 0.000 0.912 283 S CB -0.209 62.874 63.200 -0.195 0.000 0.776 283 S HN 0.499 nan 8.310 nan 0.000 0.526 284 H N -0.262 118.796 119.070 -0.021 0.000 2.512 284 H HA 0.233 4.787 4.556 -0.004 0.000 0.279 284 H C 1.244 176.563 175.328 -0.014 0.000 0.999 284 H CA 0.689 56.727 56.048 -0.018 0.000 1.283 284 H CB -0.090 29.661 29.762 -0.019 0.000 1.421 284 H HN 0.393 nan 8.280 nan 0.000 0.554 285 M N 0.398 120.053 119.600 0.093 0.000 2.639 285 M HA 0.078 4.556 4.480 -0.004 0.000 0.220 285 M C 0.045 176.361 176.300 0.028 0.000 1.155 285 M CA 0.149 55.480 55.300 0.051 0.000 1.003 285 M CB 0.112 32.731 32.600 0.032 0.000 1.725 285 M HN -0.135 nan 8.290 nan 0.000 0.489 291 E N 1.258 121.445 120.200 -0.022 0.000 2.464 291 E HA 0.436 4.783 4.350 -0.004 0.000 0.260 291 E C 0.821 177.395 176.600 -0.045 0.000 1.318 291 E CA -0.068 56.311 56.400 -0.035 0.000 1.571 291 E CB 0.136 29.813 29.700 -0.039 0.000 1.525 291 E HN 0.411 nan 8.360 nan 0.000 0.449 292 R N -0.951 119.530 120.500 -0.032 0.000 2.282 292 R HA 0.122 4.460 4.340 -0.004 0.000 0.195 292 R C 1.704 177.980 176.300 -0.040 0.000 0.909 292 R CA 0.683 56.767 56.100 -0.026 0.000 1.039 292 R CB -0.120 30.183 30.300 0.004 0.000 1.015 292 R HN 0.203 nan 8.270 nan 0.000 0.513 293 T N 0.929 115.458 114.554 -0.042 0.000 3.098 293 T HA -0.058 4.290 4.350 -0.004 0.000 0.266 293 T C 0.210 174.855 174.700 -0.091 0.000 1.145 293 T CA 0.201 62.274 62.100 -0.046 0.000 1.092 293 T CB -0.216 68.634 68.868 -0.030 0.000 0.908 293 T HN 0.240 nan 8.240 nan 0.000 0.526 294 K N 2.764 123.083 120.400 -0.134 0.000 2.416 294 K HA 0.228 4.545 4.320 -0.004 0.000 0.283 294 K C -2.517 173.894 176.600 -0.315 0.000 1.037 294 K CA -1.513 54.664 56.287 -0.183 0.000 0.995 294 K CB 0.302 32.700 32.500 -0.170 0.000 0.938 294 K HN 0.109 nan 8.250 nan 0.000 0.475 295 P HA -0.079 nan 4.420 nan 0.000 0.269 295 P C -0.868 176.229 177.300 -0.339 0.000 1.217 295 P CA 0.184 63.150 63.100 -0.224 0.000 0.783 295 P CB 0.382 32.021 31.700 -0.103 0.000 0.898 296 H N 0.408 119.479 119.070 0.001 0.000 2.661 296 H HA 0.297 4.850 4.556 -0.004 0.000 0.290 296 H C -0.372 174.948 175.328 -0.013 0.000 1.082 296 H CA -0.623 55.420 56.048 -0.008 0.000 1.234 296 H CB 0.759 30.538 29.762 0.028 0.000 1.387 296 H HN 0.080 nan 8.280 nan 0.000 0.476 297 V N 4.931 124.886 119.914 0.068 0.000 2.383 297 V HA 0.054 4.171 4.120 -0.004 0.000 0.275 297 V C -0.006 176.196 176.094 0.180 0.000 1.036 297 V CA -0.829 61.561 62.300 0.149 0.000 0.889 297 V CB 0.827 32.801 31.823 0.252 0.000 0.985 297 V HN 0.751 nan 8.190 nan 0.000 0.459 298 N N 4.546 123.307 118.700 0.103 0.000 2.430 298 N HA 0.681 5.419 4.740 -0.004 0.000 0.292 298 N C -0.563 174.965 175.510 0.032 0.000 1.051 298 N CA -0.717 52.364 53.050 0.052 0.000 0.917 298 N CB 2.101 40.590 38.487 0.005 0.000 1.164 298 N HN 0.495 nan 8.380 nan 0.000 0.484 299 V N -2.422 117.470 119.914 -0.037 0.000 3.155 299 V HA 1.031 5.148 4.120 -0.004 0.000 0.313 299 V C 0.095 176.033 176.094 -0.259 0.000 1.162 299 V CA -0.939 61.290 62.300 -0.118 0.000 1.048 299 V CB 1.493 33.224 31.823 -0.153 0.000 1.092 299 V HN 0.863 nan 8.190 nan 0.000 0.447 300 G N -0.376 108.230 108.800 -0.324 0.000 2.682 300 G HA2 0.555 4.512 3.960 -0.004 0.000 0.300 300 G HA3 0.555 4.512 3.960 -0.004 0.000 0.300 300 G C -0.927 173.727 174.900 -0.409 0.000 1.391 300 G CA -0.143 44.716 45.100 -0.401 0.000 0.990 300 G HN 1.046 nan 8.290 nan 0.000 0.501 301 T N 0.258 114.584 114.554 -0.381 0.000 2.845 301 T HA 0.601 4.949 4.350 -0.004 0.000 0.288 301 T C -0.680 173.883 174.700 -0.229 0.000 0.980 301 T CA -0.236 61.771 62.100 -0.154 0.000 1.071 301 T CB 0.723 69.695 68.868 0.173 0.000 0.941 301 T HN 0.699 nan 8.240 nan 0.000 0.487 302 I N 3.797 124.207 120.570 -0.267 0.000 2.571 302 I HA 0.771 4.939 4.170 -0.004 0.000 0.289 302 I C -0.208 175.580 176.117 -0.548 0.000 1.115 302 I CA 0.347 61.396 61.300 -0.417 0.000 1.045 302 I CB 1.473 39.219 38.000 -0.423 0.000 1.238 302 I HN 0.924 nan 8.210 nan 0.000 0.424 303 G N 4.463 112.781 108.800 -0.803 0.000 2.325 303 G HA2 0.188 4.146 3.960 -0.004 0.000 0.295 303 G HA3 0.188 4.146 3.960 -0.004 0.000 0.295 303 G C -1.654 172.880 174.900 -0.609 0.000 1.274 303 G CA -0.916 43.695 45.100 -0.815 0.000 0.857 303 G HN 0.855 nan 8.290 nan 0.000 0.499 304 H N -0.697 118.149 119.070 -0.372 0.000 2.790 304 H HA 0.356 4.909 4.556 -0.004 0.000 0.358 304 H C 1.721 176.963 175.328 -0.142 0.000 1.103 304 H CA 0.687 56.571 56.048 -0.273 0.000 1.426 304 H CB 1.649 30.969 29.762 -0.737 0.000 1.424 304 H HN 0.497 nan 8.280 nan 0.000 0.599 305 V N 2.786 122.635 119.914 -0.107 0.000 2.282 305 V HA -0.280 3.837 4.120 -0.004 0.000 0.249 305 V C 1.125 177.336 176.094 0.195 0.000 1.057 305 V CA 2.699 65.023 62.300 0.040 0.000 1.032 305 V CB -0.374 31.431 31.823 -0.030 0.000 0.645 305 V HN 1.057 nan 8.190 nan 0.000 0.447 306 D N -3.528 117.107 120.400 0.391 0.000 2.440 306 D HA 0.052 4.689 4.640 -0.004 0.000 0.216 306 D C 1.298 177.745 176.300 0.245 0.000 1.150 306 D CA -0.084 54.060 54.000 0.241 0.000 0.832 306 D CB -0.600 40.302 40.800 0.171 0.000 0.992 306 D HN 0.495 nan 8.370 nan 0.000 0.502 307 H N 1.023 120.135 119.070 0.069 0.000 2.559 307 H HA 0.307 4.861 4.556 -0.003 0.000 0.273 307 H C 1.545 176.890 175.328 0.028 0.000 1.000 307 H CA 0.563 56.614 56.048 0.004 0.000 1.195 307 H CB -0.219 29.551 29.762 0.013 0.000 1.368 307 H HN 0.381 nan 8.280 nan 0.000 0.592 308 G N 1.362 110.255 108.800 0.156 0.000 2.341 308 G HA2 -0.320 3.638 3.960 -0.004 0.000 0.278 308 G HA3 -0.320 3.638 3.960 -0.004 0.000 0.278 308 G C 1.246 176.190 174.900 0.074 0.000 1.111 308 G CA 0.420 45.575 45.100 0.090 0.000 0.982 308 G HN 0.604 nan 8.290 nan 0.000 0.502 309 K N -0.867 119.580 120.400 0.078 0.000 2.439 309 K HA -0.051 4.267 4.320 -0.004 0.000 0.197 309 K C 2.128 178.796 176.600 0.113 0.000 1.041 309 K CA 1.622 57.944 56.287 0.058 0.000 0.970 309 K CB -0.341 32.172 32.500 0.023 0.000 0.773 309 K HN 0.562 nan 8.250 nan 0.000 0.479 310 T N 0.098 114.733 114.554 0.135 0.000 2.732 310 T HA -0.165 4.182 4.350 -0.004 0.000 0.261 310 T C 2.318 177.048 174.700 0.049 0.000 1.040 310 T CA 1.826 64.036 62.100 0.183 0.000 1.145 310 T CB -0.925 68.035 68.868 0.152 0.000 0.866 310 T HN 0.431 nan 8.240 nan 0.000 0.427 311 T N 0.187 114.748 114.554 0.012 0.000 2.995 311 T HA 0.199 4.546 4.350 -0.004 0.000 0.269 311 T C 1.928 176.576 174.700 -0.086 0.000 1.091 311 T CA 0.348 62.425 62.100 -0.039 0.000 1.128 311 T CB -0.529 68.322 68.868 -0.029 0.000 0.891 311 T HN 0.318 nan 8.240 nan 0.000 0.492 312 L N 0.530 121.691 121.223 -0.104 0.000 2.095 312 L HA 0.008 4.346 4.340 -0.004 0.000 0.204 312 L C 2.814 179.543 176.870 -0.234 0.000 1.080 312 L CA 1.544 56.242 54.840 -0.236 0.000 0.759 312 L CB -0.802 41.045 42.059 -0.353 0.000 0.914 312 L HN 0.316 nan 8.230 nan 0.000 0.439 313 T N -0.487 113.972 114.554 -0.158 0.000 2.929 313 T HA -0.106 4.241 4.350 -0.004 0.000 0.271 313 T C 1.645 176.216 174.700 -0.214 0.000 1.085 313 T CA 1.165 63.128 62.100 -0.229 0.000 1.125 313 T CB -0.018 68.766 68.868 -0.140 0.000 0.874 313 T HN 0.546 nan 8.240 nan 0.000 0.494 314 A N 1.294 124.009 122.820 -0.176 0.000 1.826 314 A HA 0.342 4.659 4.320 -0.004 0.000 0.214 314 A C 2.738 180.225 177.584 -0.161 0.000 1.212 314 A CA 1.729 53.672 52.037 -0.157 0.000 0.605 314 A CB -1.607 17.308 19.000 -0.142 0.000 0.861 314 A HN 0.568 nan 8.150 nan 0.000 0.447 315 A N 0.164 122.887 122.820 -0.161 0.000 1.909 315 A HA -0.291 4.026 4.320 -0.004 0.000 0.221 315 A C 2.118 179.599 177.584 -0.172 0.000 1.223 315 A CA 2.143 54.091 52.037 -0.149 0.000 0.658 315 A CB -1.088 17.833 19.000 -0.132 0.000 0.831 315 A HN 0.564 nan 8.150 nan 0.000 0.462 316 I N -0.208 120.214 120.570 -0.246 0.000 2.145 316 I HA -0.346 3.821 4.170 -0.004 0.000 0.244 316 I C 2.914 178.834 176.117 -0.329 0.000 1.075 316 I CA 2.317 63.408 61.300 -0.348 0.000 1.332 316 I CB -0.741 36.939 38.000 -0.533 0.000 1.033 316 I HN 0.689 nan 8.210 nan 0.000 0.410 317 T N -2.410 112.010 114.554 -0.223 0.000 2.812 317 T HA -0.146 4.202 4.350 -0.004 0.000 0.264 317 T C 1.900 176.610 174.700 0.016 0.000 1.042 317 T CA 1.606 63.678 62.100 -0.047 0.000 1.140 317 T CB -1.016 67.898 68.868 0.076 0.000 0.870 317 T HN 0.508 nan 8.240 nan 0.000 0.445 318 T N 0.973 115.510 114.554 -0.028 0.000 2.701 318 T HA -0.055 4.293 4.350 -0.004 0.000 0.263 318 T C 2.062 176.748 174.700 -0.023 0.000 1.040 318 T CA 1.257 63.345 62.100 -0.019 0.000 1.147 318 T CB -1.219 67.559 68.868 -0.151 0.000 0.865 318 T HN 0.228 nan 8.240 nan 0.000 0.426 319 V N 2.050 121.929 119.914 -0.058 0.000 2.332 319 V HA -0.064 4.053 4.120 -0.004 0.000 0.248 319 V C 2.708 178.772 176.094 -0.049 0.000 1.055 319 V CA 1.528 63.794 62.300 -0.056 0.000 1.038 319 V CB -0.835 30.954 31.823 -0.057 0.000 0.651 319 V HN 0.478 nan 8.190 nan 0.000 0.450 320 L N -0.369 120.850 121.223 -0.006 0.000 2.610 320 L HA 0.023 4.361 4.340 -0.004 0.000 0.232 320 L C 2.349 179.300 176.870 0.135 0.000 1.149 320 L CA 0.707 55.615 54.840 0.114 0.000 0.872 320 L CB -0.558 41.602 42.059 0.167 0.000 0.992 320 L HN 0.364 nan 8.230 nan 0.000 0.447 321 A N 1.088 123.949 122.820 0.069 0.000 1.887 321 A HA -0.115 4.203 4.320 -0.004 0.000 0.212 321 A C 2.278 179.873 177.584 0.020 0.000 1.198 321 A CA 0.852 52.937 52.037 0.080 0.000 0.628 321 A CB -0.164 18.896 19.000 0.101 0.000 0.847 321 A HN 0.389 nan 8.150 nan 0.000 0.449 322 K N -0.686 119.701 120.400 -0.022 0.000 2.439 322 K HA -0.007 4.311 4.320 -0.004 0.000 0.197 322 K C 0.798 177.320 176.600 -0.131 0.000 1.041 322 K CA 1.771 58.026 56.287 -0.053 0.000 0.970 322 K CB -0.210 32.261 32.500 -0.048 0.000 0.773 322 K HN 0.262 nan 8.250 nan 0.000 0.479 323 T N -0.661 113.747 114.554 -0.243 0.000 3.001 323 T HA 0.200 4.547 4.350 -0.004 0.000 0.251 323 T C -0.428 173.792 174.700 -0.801 0.000 1.040 323 T CA 0.088 61.853 62.100 -0.558 0.000 0.985 323 T CB -0.038 68.368 68.868 -0.770 0.000 1.011 323 T HN 0.210 nan 8.240 nan 0.000 0.509 324 Y N -0.851 119.468 120.300 0.032 0.000 3.059 324 Y HA 0.601 5.150 4.550 -0.002 0.000 0.301 324 Y C 1.316 177.238 175.900 0.037 0.000 1.677 324 Y CA -1.512 56.610 58.100 0.036 0.000 1.079 324 Y CB 0.183 38.672 38.460 0.048 0.000 1.534 324 Y HN -0.029 nan 8.280 nan 0.000 0.473 325 G N -0.034 108.909 108.800 0.238 0.000 3.229 325 G HA2 0.389 4.346 3.960 -0.004 0.000 0.165 325 G HA3 0.389 4.346 3.960 -0.004 0.000 0.165 325 G C 0.524 175.492 174.900 0.112 0.000 1.753 325 G CA -0.021 45.155 45.100 0.127 0.000 1.054 325 G HN 0.840 nan 8.290 nan 0.000 0.544 350 S N 2.049 117.876 115.700 0.212 0.000 3.430 350 S HA -0.168 4.299 4.470 -0.004 0.000 0.442 350 S C -0.130 174.638 174.600 0.279 0.000 0.845 350 S CA 0.943 59.249 58.200 0.177 0.000 1.357 350 S CB -1.748 61.553 63.200 0.169 0.000 0.925 350 S HN 1.408 nan 8.310 nan 0.000 0.642 351 H N -0.102 119.048 119.070 0.133 0.000 3.172 351 H HA 0.623 5.177 4.556 -0.004 0.000 0.322 351 H C -0.146 175.252 175.328 0.118 0.000 1.003 351 H CA -0.712 55.431 56.048 0.157 0.000 1.466 351 H CB 0.691 30.507 29.762 0.091 0.000 1.673 351 H HN 0.420 nan 8.280 nan 0.000 0.512 352 V N 1.551 121.527 119.914 0.103 0.000 2.811 352 V HA 0.351 4.469 4.120 -0.004 0.000 0.302 352 V C 0.084 176.207 176.094 0.048 0.000 1.063 352 V CA -0.331 61.975 62.300 0.009 0.000 1.088 352 V CB 1.083 32.892 31.823 -0.024 0.000 0.982 352 V HN 1.017 nan 8.190 nan 0.000 0.485 353 E N 3.964 124.180 120.200 0.027 0.000 2.336 353 E HA 0.772 5.120 4.350 -0.004 0.000 0.267 353 E C -1.444 175.212 176.600 0.093 0.000 0.906 353 E CA -0.918 55.456 56.400 -0.042 0.000 0.781 353 E CB 2.408 32.168 29.700 0.099 0.000 1.261 353 E HN 0.929 nan 8.360 nan 0.000 0.436 354 Y N -1.477 118.963 120.300 0.233 0.000 2.624 354 Y HA 0.598 5.147 4.550 -0.003 0.000 0.334 354 Y C -1.612 174.486 175.900 0.329 0.000 1.155 354 Y CA -1.331 56.924 58.100 0.259 0.000 1.046 354 Y CB 1.519 40.099 38.460 0.200 0.000 1.316 354 Y HN 0.387 nan 8.280 nan 0.000 0.457 355 D N 0.448 121.158 120.400 0.516 0.000 2.269 355 D HA 0.669 5.307 4.640 -0.004 0.000 0.244 355 D C -1.098 175.341 176.300 0.233 0.000 0.992 355 D CA -0.247 53.952 54.000 0.330 0.000 0.894 355 D CB 2.227 43.146 40.800 0.197 0.000 1.248 355 D HN 0.675 nan 8.370 nan 0.000 0.468 356 T N 1.718 116.286 114.554 0.023 0.000 2.887 356 T HA 0.299 4.646 4.350 -0.004 0.000 0.288 356 T C -1.863 172.645 174.700 -0.320 0.000 1.021 356 T CA -1.523 60.470 62.100 -0.178 0.000 1.000 356 T CB 1.903 70.748 68.868 -0.039 0.000 1.034 356 T HN 0.125 nan 8.240 nan 0.000 0.467 357 P HA -0.133 nan 4.420 nan 0.000 0.219 357 P C 1.222 178.403 177.300 -0.198 0.000 1.145 357 P CA 1.245 64.126 63.100 -0.365 0.000 0.813 357 P CB 0.303 31.774 31.700 -0.382 0.000 0.771 358 T N -2.948 111.495 114.554 -0.185 0.000 2.999 358 T HA 0.147 4.494 4.350 -0.004 0.000 0.247 358 T C 0.506 175.111 174.700 -0.158 0.000 1.012 358 T CA -0.126 61.894 62.100 -0.134 0.000 1.048 358 T CB 0.214 69.027 68.868 -0.093 0.000 1.020 358 T HN 0.134 nan 8.240 nan 0.000 0.478 359 R N 0.105 120.469 120.500 -0.227 0.000 2.710 359 R HA 0.450 4.787 4.340 -0.004 0.000 0.270 359 R C -1.292 174.765 176.300 -0.405 0.000 1.021 359 R CA -0.979 54.932 56.100 -0.315 0.000 0.889 359 R CB 0.823 30.906 30.300 -0.361 0.000 1.243 359 R HN 0.206 nan 8.270 nan 0.000 0.464 360 H N 1.831 120.646 119.070 -0.425 0.000 2.488 360 H HA 0.298 4.851 4.556 -0.004 0.000 0.322 360 H C -1.207 173.969 175.328 -0.253 0.000 1.078 360 H CA -0.641 55.242 56.048 -0.275 0.000 1.260 360 H CB 0.832 30.540 29.762 -0.091 0.000 1.425 360 H HN 0.513 nan 8.280 nan 0.000 0.471 361 Y N 2.273 122.345 120.300 -0.380 0.000 2.342 361 Y HA 0.443 4.990 4.550 -0.004 0.000 0.334 361 Y C 0.171 175.664 175.900 -0.678 0.000 1.067 361 Y CA -0.691 57.139 58.100 -0.450 0.000 1.128 361 Y CB 1.741 40.004 38.460 -0.328 0.000 1.200 361 Y HN 0.686 nan 8.280 nan 0.000 0.464 362 A N 2.868 125.563 122.820 -0.208 0.000 2.317 362 A HA 0.598 4.916 4.320 -0.004 0.000 0.327 362 A C -1.522 176.053 177.584 -0.016 0.000 1.178 362 A CA -0.531 51.438 52.037 -0.113 0.000 0.817 362 A CB 0.382 19.357 19.000 -0.042 0.000 1.189 362 A HN 0.933 nan 8.150 nan 0.000 0.489 363 H N 0.706 119.757 119.070 -0.032 0.000 2.589 363 H HA 0.655 5.208 4.556 -0.004 0.000 0.351 363 H C -0.988 174.458 175.328 0.197 0.000 1.074 363 H CA -0.665 55.428 56.048 0.075 0.000 1.203 363 H CB 1.703 31.552 29.762 0.144 0.000 1.558 363 H HN 0.677 nan 8.280 nan 0.000 0.522 364 V N 1.763 121.771 119.914 0.157 0.000 2.925 364 V HA 0.380 4.498 4.120 -0.004 0.000 0.311 364 V C -0.451 175.570 176.094 -0.123 0.000 1.104 364 V CA -1.135 61.254 62.300 0.149 0.000 0.954 364 V CB 1.861 33.735 31.823 0.085 0.000 1.022 364 V HN 0.776 nan 8.190 nan 0.000 0.427 365 D N 1.078 121.196 120.400 -0.469 0.000 2.264 365 D HA 0.488 5.125 4.640 -0.004 0.000 0.249 365 D C -0.537 175.602 176.300 -0.268 0.000 1.070 365 D CA -0.228 53.403 54.000 -0.614 0.000 0.912 365 D CB 1.489 41.596 40.800 -1.155 0.000 1.193 365 D HN 0.832 nan 8.370 nan 0.000 0.427 366 C N 5.272 124.444 119.300 -0.213 0.000 2.842 366 C HA 0.352 4.810 4.460 -0.004 0.000 0.311 366 C C -2.196 172.811 174.990 0.029 0.000 1.312 366 C CA -1.107 57.859 59.018 -0.087 0.000 1.651 366 C CB -0.066 27.547 27.740 -0.213 0.000 1.826 366 C HN 0.407 nan 8.230 nan 0.000 0.491 367 P HA 0.402 nan 4.420 nan 0.000 0.219 367 P C 0.034 177.424 177.300 0.150 0.000 1.847 367 P CA 0.727 63.883 63.100 0.095 0.000 1.059 367 P CB 0.331 32.035 31.700 0.007 0.000 1.900 368 G N 1.640 110.615 108.800 0.292 0.000 2.677 368 G HA2 -0.104 3.853 3.960 -0.004 0.000 0.321 368 G HA3 -0.104 3.853 3.960 -0.004 0.000 0.321 368 G C 0.072 174.851 174.900 -0.202 0.000 1.449 368 G CA -0.624 44.465 45.100 -0.019 0.000 1.064 368 G HN 0.360 nan 8.290 nan 0.000 0.627 369 H N 2.314 120.827 119.070 -0.928 0.000 2.274 369 H HA -0.091 4.462 4.556 -0.004 0.000 0.296 369 H C 2.851 178.048 175.328 -0.218 0.000 1.061 369 H CA 3.095 58.717 56.048 -0.709 0.000 1.226 369 H CB -0.239 28.990 29.762 -0.888 0.000 1.370 369 H HN 0.893 nan 8.280 nan 0.000 0.507 370 A N 0.804 123.676 122.820 0.086 0.000 1.903 370 A HA -0.250 4.067 4.320 -0.004 0.000 0.219 370 A C 2.339 179.929 177.584 0.009 0.000 1.191 370 A CA 2.266 54.350 52.037 0.079 0.000 0.638 370 A CB -0.882 18.122 19.000 0.006 0.000 0.823 370 A HN 0.596 nan 8.150 nan 0.000 0.451 371 D N -2.413 117.975 120.400 -0.019 0.000 2.218 371 D HA -0.143 4.494 4.640 -0.004 0.000 0.204 371 D C 1.560 177.838 176.300 -0.037 0.000 0.976 371 D CA 1.242 55.220 54.000 -0.037 0.000 0.853 371 D CB -0.207 40.580 40.800 -0.022 0.000 0.939 371 D HN 0.630 nan 8.370 nan 0.000 0.481 372 Y N 0.348 120.585 120.300 -0.105 0.000 2.153 372 Y HA -0.116 4.432 4.550 -0.004 0.000 0.289 372 Y C 2.264 178.094 175.900 -0.116 0.000 1.119 372 Y CA 1.092 59.128 58.100 -0.107 0.000 1.116 372 Y CB -0.449 37.954 38.460 -0.095 0.000 1.004 372 Y HN -0.212 nan 8.280 nan 0.000 0.501 373 V N 1.882 121.765 119.914 -0.053 0.000 2.511 373 V HA -0.410 3.707 4.120 -0.004 0.000 0.257 373 V C 2.413 178.389 176.094 -0.197 0.000 1.088 373 V CA 2.473 64.711 62.300 -0.104 0.000 1.098 373 V CB -0.796 31.044 31.823 0.027 0.000 0.674 373 V HN 0.459 nan 8.190 nan 0.000 0.470 374 K N 0.160 120.424 120.400 -0.227 0.000 2.044 374 K HA -0.161 4.157 4.320 -0.004 0.000 0.204 374 K C 1.909 178.265 176.600 -0.407 0.000 1.049 374 K CA 1.827 57.909 56.287 -0.342 0.000 0.945 374 K CB -0.146 32.092 32.500 -0.436 0.000 0.724 374 K HN 0.502 nan 8.250 nan 0.000 0.440 375 N N 0.975 119.431 118.700 -0.406 0.000 2.188 375 N HA -0.146 4.592 4.740 -0.004 0.000 0.184 375 N C 1.584 176.852 175.510 -0.405 0.000 1.018 375 N CA 1.290 54.112 53.050 -0.379 0.000 0.858 375 N CB -0.152 38.139 38.487 -0.327 0.000 0.989 375 N HN 0.256 nan 8.380 nan 0.000 0.426 376 M N 0.176 119.432 119.600 -0.573 0.000 2.296 376 M HA -0.007 4.471 4.480 -0.004 0.000 0.265 376 M C 1.277 177.432 176.300 -0.242 0.000 1.064 376 M CA 1.350 56.385 55.300 -0.443 0.000 1.109 376 M CB -0.202 32.069 32.600 -0.548 0.000 1.396 376 M HN 0.144 nan 8.290 nan 0.000 0.430 377 I N -0.558 119.880 120.570 -0.220 0.000 2.339 377 I HA -0.157 4.010 4.170 -0.004 0.000 0.245 377 I C 1.958 177.981 176.117 -0.156 0.000 1.096 377 I CA 1.085 62.297 61.300 -0.147 0.000 1.408 377 I CB -0.525 37.425 38.000 -0.083 0.000 1.092 377 I HN 0.210 nan 8.210 nan 0.000 0.423 378 T N 0.143 114.585 114.554 -0.187 0.000 3.163 378 T HA 0.037 4.385 4.350 -0.004 0.000 0.260 378 T C 1.417 176.029 174.700 -0.146 0.000 1.156 378 T CA 0.955 62.958 62.100 -0.162 0.000 1.072 378 T CB -0.495 68.239 68.868 -0.224 0.000 0.937 378 T HN 0.699 nan 8.240 nan 0.000 0.528 379 G N 0.485 109.192 108.800 -0.155 0.000 2.196 379 G HA2 -0.348 3.609 3.960 -0.004 0.000 0.268 379 G HA3 -0.348 3.609 3.960 -0.004 0.000 0.268 379 G C 1.148 175.971 174.900 -0.128 0.000 0.975 379 G CA 0.384 45.408 45.100 -0.128 0.000 0.648 379 G HN 0.813 nan 8.290 nan 0.000 0.538 380 A N -0.594 122.139 122.820 -0.146 0.000 2.225 380 A HA 0.584 4.902 4.320 -0.004 0.000 0.215 380 A C 1.379 178.881 177.584 -0.135 0.000 1.164 380 A CA 1.984 53.943 52.037 -0.131 0.000 0.710 380 A CB -0.244 18.678 19.000 -0.131 0.000 0.780 380 A HN 2.393 nan 8.150 nan 0.000 0.473 381 A N -0.212 122.514 122.820 -0.156 0.000 2.411 381 A HA 0.496 4.813 4.320 -0.004 0.000 0.303 381 A C -0.350 177.153 177.584 -0.134 0.000 1.038 381 A CA -0.259 51.700 52.037 -0.131 0.000 1.011 381 A CB -0.301 18.640 19.000 -0.099 0.000 1.505 381 A HN 0.512 nan 8.150 nan 0.000 0.380 382 Q N 1.379 121.134 119.800 -0.075 0.000 2.270 382 Q HA 0.907 5.244 4.340 -0.004 0.000 0.167 382 Q C 0.083 176.118 176.000 0.059 0.000 1.023 382 Q CA -0.727 55.062 55.803 -0.024 0.000 1.070 382 Q CB 0.735 29.464 28.738 -0.015 0.000 1.504 382 Q HN 0.837 nan 8.270 nan 0.000 0.536 383 M N -0.109 119.543 119.600 0.087 0.000 2.346 383 M HA 0.198 4.676 4.480 -0.004 0.000 0.287 383 M C -1.637 174.720 176.300 0.096 0.000 1.100 383 M CA -0.253 55.106 55.300 0.098 0.000 0.950 383 M CB 2.317 35.002 32.600 0.141 0.000 1.815 383 M HN 0.703 nan 8.290 nan 0.000 0.497 384 D N 1.946 122.401 120.400 0.092 0.000 2.338 384 D HA 0.322 4.959 4.640 -0.004 0.000 0.208 384 D C 0.509 176.905 176.300 0.161 0.000 0.997 384 D CA 0.738 54.812 54.000 0.123 0.000 0.880 384 D CB 0.964 41.833 40.800 0.114 0.000 0.980 384 D HN 0.715 nan 8.370 nan 0.000 0.509 385 G N -0.155 108.714 108.800 0.116 0.000 2.702 385 G HA2 0.546 4.503 3.960 -0.004 0.000 0.296 385 G HA3 0.546 4.503 3.960 -0.004 0.000 0.296 385 G C -1.550 173.365 174.900 0.024 0.000 1.463 385 G CA -0.269 44.908 45.100 0.128 0.000 0.890 385 G HN 0.160 nan 8.290 nan 0.000 0.534 386 A N 1.077 123.891 122.820 -0.011 0.000 2.294 386 A HA 0.858 5.176 4.320 -0.004 0.000 0.330 386 A C -0.382 177.145 177.584 -0.096 0.000 1.133 386 A CA -0.809 51.162 52.037 -0.110 0.000 0.836 386 A CB 1.298 20.193 19.000 -0.176 0.000 1.190 386 A HN 1.423 nan 8.150 nan 0.000 0.492 387 I N 2.108 122.604 120.570 -0.124 0.000 2.411 387 I HA 0.440 4.608 4.170 -0.004 0.000 0.284 387 I C -1.478 174.581 176.117 -0.095 0.000 1.012 387 I CA -0.917 60.340 61.300 -0.072 0.000 1.119 387 I CB 1.010 39.001 38.000 -0.016 0.000 1.261 387 I HN 0.626 nan 8.210 nan 0.000 0.448 388 L N 8.981 130.142 121.223 -0.103 0.000 2.315 388 L HA 0.352 4.690 4.340 -0.004 0.000 0.283 388 L C -0.913 175.937 176.870 -0.032 0.000 1.089 388 L CA 0.124 54.887 54.840 -0.127 0.000 0.833 388 L CB 1.171 43.140 42.059 -0.150 0.000 1.170 388 L HN 0.430 nan 8.230 nan 0.000 0.442 389 V N 6.804 126.694 119.914 -0.040 0.000 2.311 389 V HA 0.446 4.563 4.120 -0.004 0.000 0.275 389 V C -0.078 176.071 176.094 0.092 0.000 1.022 389 V CA -0.388 61.960 62.300 0.080 0.000 0.830 389 V CB 1.203 33.070 31.823 0.074 0.000 1.012 389 V HN 0.640 nan 8.190 nan 0.000 0.452 390 V N 3.171 123.169 119.914 0.141 0.000 2.815 390 V HA 1.002 5.119 4.120 -0.004 0.000 0.314 390 V C 0.154 176.345 176.094 0.161 0.000 1.064 390 V CA -0.647 61.801 62.300 0.248 0.000 0.952 390 V CB 2.035 33.958 31.823 0.167 0.000 1.020 390 V HN 0.932 nan 8.190 nan 0.000 0.439 391 A N 3.462 126.311 122.820 0.047 0.000 2.289 391 A HA 0.795 5.113 4.320 -0.004 0.000 0.298 391 A C 1.158 178.612 177.584 -0.216 0.000 1.208 391 A CA -0.048 51.807 52.037 -0.304 0.000 0.845 391 A CB 1.094 19.609 19.000 -0.807 0.000 1.125 391 A HN 2.089 nan 8.150 nan 0.000 0.517 392 A N 2.301 125.026 122.820 -0.158 0.000 2.168 392 A HA 0.034 4.351 4.320 -0.004 0.000 0.215 392 A C 1.916 179.427 177.584 -0.122 0.000 1.152 392 A CA 2.000 53.967 52.037 -0.116 0.000 0.716 392 A CB -0.680 18.256 19.000 -0.106 0.000 0.794 392 A HN 0.751 nan 8.150 nan 0.000 0.465 393 T N 0.055 114.506 114.554 -0.173 0.000 2.746 393 T HA -0.118 4.229 4.350 -0.004 0.000 0.267 393 T C 1.265 175.882 174.700 -0.138 0.000 1.039 393 T CA 1.923 63.928 62.100 -0.159 0.000 1.142 393 T CB -0.215 68.535 68.868 -0.197 0.000 0.866 393 T HN 0.538 nan 8.240 nan 0.000 0.444 394 D N -0.692 119.604 120.400 -0.174 0.000 2.615 394 D HA 0.412 5.050 4.640 -0.004 0.000 0.259 394 D C 1.120 177.413 176.300 -0.011 0.000 0.999 394 D CA 1.216 55.165 54.000 -0.084 0.000 0.938 394 D CB 0.293 41.053 40.800 -0.067 0.000 1.121 394 D HN 0.500 nan 8.370 nan 0.000 0.487 395 G N 0.324 109.130 108.800 0.011 0.000 2.483 395 G HA2 -0.094 3.864 3.960 -0.004 0.000 0.521 395 G HA3 -0.094 3.864 3.960 -0.004 0.000 0.521 395 G C -2.610 172.357 174.900 0.112 0.000 1.278 395 G CA -0.794 44.333 45.100 0.044 0.000 0.965 395 G HN -0.011 nan 8.290 nan 0.000 0.504 396 P HA 0.300 nan 4.420 nan 0.000 0.267 396 P C 0.088 177.435 177.300 0.079 0.000 1.209 396 P CA 0.127 63.275 63.100 0.080 0.000 0.763 396 P CB 0.436 32.169 31.700 0.056 0.000 0.816 397 M N 6.263 125.911 119.600 0.079 0.000 2.241 397 M HA 0.145 4.623 4.480 -0.004 0.000 0.335 397 M C -0.957 175.365 176.300 0.037 0.000 1.122 397 M CA -2.709 52.632 55.300 0.069 0.000 1.164 397 M CB -0.296 32.371 32.600 0.112 0.000 1.459 397 M HN 0.194 nan 8.290 nan 0.000 0.461 398 P HA -0.235 nan 4.420 nan 0.000 0.218 398 P C 0.893 178.185 177.300 -0.013 0.000 1.152 398 P CA 1.668 64.783 63.100 0.025 0.000 0.857 398 P CB -0.195 31.527 31.700 0.036 0.000 0.787 399 Q N -1.165 118.600 119.800 -0.059 0.000 2.322 399 Q HA 0.048 4.386 4.340 -0.004 0.000 0.203 399 Q C 1.146 176.916 176.000 -0.383 0.000 0.923 399 Q CA 0.722 56.419 55.803 -0.177 0.000 0.949 399 Q CB -0.968 27.650 28.738 -0.199 0.000 1.039 399 Q HN 0.082 nan 8.270 nan 0.000 0.496 400 T N 1.980 116.417 114.554 -0.195 0.000 2.904 400 T HA -0.079 4.268 4.350 -0.004 0.000 0.267 400 T C 1.648 176.258 174.700 -0.150 0.000 1.059 400 T CA 1.383 63.409 62.100 -0.124 0.000 1.137 400 T CB 0.022 68.916 68.868 0.044 0.000 0.879 400 T HN 0.670 nan 8.240 nan 0.000 0.467 401 R N 1.258 121.696 120.500 -0.104 0.000 2.148 401 R HA 0.003 4.341 4.340 -0.004 0.000 0.227 401 R C 1.876 178.035 176.300 -0.235 0.000 1.103 401 R CA 1.131 57.165 56.100 -0.111 0.000 0.983 401 R CB -0.300 30.048 30.300 0.080 0.000 0.874 401 R HN 0.251 nan 8.270 nan 0.000 0.451 402 E N 0.962 121.055 120.200 -0.178 0.000 2.106 402 E HA -0.162 4.186 4.350 -0.004 0.000 0.192 402 E C 1.846 178.458 176.600 0.020 0.000 0.984 402 E CA 1.146 57.520 56.400 -0.044 0.000 0.806 402 E CB -0.429 29.307 29.700 0.060 0.000 0.750 402 E HN 0.547 nan 8.360 nan 0.000 0.458 403 H N 1.076 120.024 119.070 -0.202 0.000 2.253 403 H HA -0.044 4.510 4.556 -0.004 0.000 0.296 403 H C 2.495 177.687 175.328 -0.227 0.000 1.074 403 H CA 1.281 57.081 56.048 -0.412 0.000 1.263 403 H CB -0.678 28.785 29.762 -0.499 0.000 1.363 403 H HN 0.137 nan 8.280 nan 0.000 0.489 404 I N 0.495 121.002 120.570 -0.105 0.000 2.248 404 I HA -0.268 3.900 4.170 -0.004 0.000 0.248 404 I C 2.613 178.649 176.117 -0.135 0.000 1.107 404 I CA 0.986 62.192 61.300 -0.157 0.000 1.373 404 I CB -0.314 37.586 38.000 -0.168 0.000 1.055 404 I HN 0.084 nan 8.210 nan 0.000 0.418 405 L N 0.492 121.533 121.223 -0.304 0.000 2.093 405 L HA -0.151 4.186 4.340 -0.004 0.000 0.208 405 L C 2.182 179.092 176.870 0.067 0.000 1.085 405 L CA 1.593 56.305 54.840 -0.215 0.000 0.755 405 L CB -0.536 41.375 42.059 -0.248 0.000 0.904 405 L HN 0.211 nan 8.230 nan 0.000 0.435 406 L N -0.526 120.777 121.223 0.134 0.000 2.046 406 L HA -0.104 4.233 4.340 -0.004 0.000 0.208 406 L C 2.287 179.157 176.870 0.001 0.000 1.077 406 L CA 2.022 56.891 54.840 0.049 0.000 0.747 406 L CB -1.524 40.607 42.059 0.120 0.000 0.896 406 L HN 0.470 nan 8.230 nan 0.000 0.432 407 G N -0.126 108.685 108.800 0.018 0.000 2.442 407 G HA2 -0.355 3.603 3.960 -0.004 0.000 0.219 407 G HA3 -0.355 3.603 3.960 -0.004 0.000 0.219 407 G C 1.676 176.744 174.900 0.280 0.000 1.141 407 G CA 0.887 46.030 45.100 0.071 0.000 0.763 407 G HN 0.340 nan 8.290 nan 0.000 0.554 408 R N 0.586 121.273 120.500 0.311 0.000 2.066 408 R HA 0.013 4.351 4.340 -0.004 0.000 0.232 408 R C 2.552 178.915 176.300 0.105 0.000 1.131 408 R CA 1.895 58.108 56.100 0.188 0.000 0.955 408 R CB -0.948 29.449 30.300 0.162 0.000 0.851 408 R HN 0.437 nan 8.270 nan 0.000 0.432 409 Q N -0.492 119.378 119.800 0.117 0.000 2.084 409 Q HA -0.104 4.233 4.340 -0.004 0.000 0.202 409 Q C 1.961 178.020 176.000 0.098 0.000 0.978 409 Q CA 1.718 57.586 55.803 0.109 0.000 0.844 409 Q CB -0.188 28.637 28.738 0.145 0.000 0.898 409 Q HN 0.265 nan 8.270 nan 0.000 0.426 410 V N -0.155 119.823 119.914 0.107 0.000 3.217 410 V HA 0.025 4.143 4.120 -0.004 0.000 0.264 410 V C 0.972 177.135 176.094 0.116 0.000 1.135 410 V CA 1.428 63.809 62.300 0.136 0.000 1.142 410 V CB -0.388 31.585 31.823 0.251 0.000 0.754 410 V HN 0.652 nan 8.190 nan 0.000 0.484 411 G N 0.146 109.005 108.800 0.099 0.000 2.160 411 G HA2 -0.221 3.737 3.960 -0.004 0.000 0.244 411 G HA3 -0.221 3.737 3.960 -0.004 0.000 0.244 411 G C 0.270 175.227 174.900 0.095 0.000 1.022 411 G CA 0.357 45.498 45.100 0.069 0.000 0.741 411 G HN 0.970 nan 8.290 nan 0.000 0.508 412 V N 1.989 121.993 119.914 0.149 0.000 2.475 412 V HA 0.211 4.329 4.120 -0.004 0.000 0.292 412 V C 0.559 176.762 176.094 0.181 0.000 1.003 412 V CA -0.430 61.962 62.300 0.152 0.000 1.120 412 V CB 0.988 32.876 31.823 0.109 0.000 0.937 412 V HN 0.272 nan 8.190 nan 0.000 0.476 413 P HA -0.110 nan 4.420 nan 0.000 0.215 413 P C -0.394 176.717 177.300 -0.316 0.000 1.157 413 P CA 1.439 64.467 63.100 -0.120 0.000 0.868 413 P CB 0.126 31.828 31.700 0.004 0.000 0.788 414 Y N -1.528 118.875 120.300 0.171 0.000 2.477 414 Y HA 0.550 5.098 4.550 -0.004 0.000 0.347 414 Y C 0.293 176.270 175.900 0.128 0.000 0.981 414 Y CA -0.935 57.288 58.100 0.206 0.000 1.033 414 Y CB 1.980 40.508 38.460 0.114 0.000 1.245 414 Y HN -0.271 nan 8.280 nan 0.000 0.455 415 I N 4.543 125.234 120.570 0.201 0.000 2.447 415 I HA 0.413 4.581 4.170 -0.004 0.000 0.287 415 I C -0.923 175.165 176.117 -0.049 0.000 1.023 415 I CA -0.495 60.759 61.300 -0.077 0.000 1.083 415 I CB 1.248 38.953 38.000 -0.491 0.000 1.245 415 I HN 0.504 nan 8.210 nan 0.000 0.434 416 I N 6.735 127.273 120.570 -0.054 0.000 2.437 416 I HA 0.382 4.549 4.170 -0.004 0.000 0.298 416 I C -0.493 175.573 176.117 -0.085 0.000 0.984 416 I CA -0.869 60.355 61.300 -0.127 0.000 1.214 416 I CB 2.115 40.083 38.000 -0.053 0.000 1.365 416 I HN 0.142 nan 8.210 nan 0.000 0.469 417 V N 6.574 126.430 119.914 -0.097 0.000 2.384 417 V HA 0.254 4.372 4.120 -0.004 0.000 0.287 417 V C -0.681 175.445 176.094 0.053 0.000 1.020 417 V CA -0.540 61.741 62.300 -0.033 0.000 0.850 417 V CB 1.537 33.317 31.823 -0.072 0.000 0.987 417 V HN 0.427 nan 8.190 nan 0.000 0.436 418 F N 6.654 126.586 119.950 -0.030 0.000 2.334 418 F HA 0.556 5.080 4.527 -0.005 0.000 0.367 418 F C -0.356 175.444 175.800 0.000 0.000 1.115 418 F CA -0.770 57.232 58.000 0.003 0.000 1.116 418 F CB 0.889 39.900 39.000 0.017 0.000 1.230 418 F HN 0.272 nan 8.300 nan 0.000 0.484 419 L N 6.078 127.050 121.223 -0.417 0.000 2.433 419 L HA 0.173 4.511 4.340 -0.004 0.000 0.275 419 L C 0.073 176.609 176.870 -0.558 0.000 1.128 419 L CA 0.200 54.835 54.840 -0.340 0.000 0.875 419 L CB -0.167 41.747 42.059 -0.243 0.000 1.171 419 L HN 0.610 nan 8.230 nan 0.000 0.463 420 N N 2.634 121.218 118.700 -0.193 0.000 2.472 420 N HA 0.274 5.011 4.740 -0.004 0.000 0.289 420 N C -0.397 175.034 175.510 -0.132 0.000 1.156 420 N CA -0.559 52.471 53.050 -0.034 0.000 0.940 420 N CB 0.874 39.491 38.487 0.217 0.000 1.200 420 N HN 0.370 nan 8.380 nan 0.000 0.511 421 K N 0.653 120.965 120.400 -0.146 0.000 3.257 421 K HA -0.180 4.137 4.320 -0.004 0.000 0.270 421 K C 0.205 176.657 176.600 -0.247 0.000 0.984 421 K CA 0.329 56.482 56.287 -0.223 0.000 0.739 421 K CB -1.996 30.394 32.500 -0.183 0.000 1.351 421 K HN 0.519 nan 8.250 nan 0.000 0.463 422 C N 0.099 119.218 119.300 -0.302 0.000 2.563 422 C HA -0.044 4.414 4.460 -0.004 0.000 0.268 422 C C 2.200 177.079 174.990 -0.186 0.000 1.365 422 C CA 0.449 59.355 59.018 -0.187 0.000 1.754 422 C CB -0.475 27.235 27.740 -0.050 0.000 1.932 422 C HN 0.761 nan 8.230 nan 0.000 0.536 423 D N 0.965 121.084 120.400 -0.469 0.000 2.384 423 D HA -0.145 4.493 4.640 -0.004 0.000 0.222 423 D C 1.192 177.412 176.300 -0.134 0.000 0.976 423 D CA 0.904 54.712 54.000 -0.320 0.000 0.915 423 D CB -0.320 40.106 40.800 -0.623 0.000 0.896 423 D HN 0.442 nan 8.370 nan 0.000 0.523 424 M N 0.475 119.988 119.600 -0.145 0.000 2.655 424 M HA 0.182 4.660 4.480 -0.004 0.000 0.311 424 M C -0.790 175.471 176.300 -0.064 0.000 1.229 424 M CA -0.134 55.108 55.300 -0.096 0.000 0.972 424 M CB 1.585 34.116 32.600 -0.116 0.000 1.366 424 M HN -0.230 nan 8.290 nan 0.000 0.500 425 V N 0.652 120.543 119.914 -0.039 0.000 2.380 425 V HA 0.096 4.213 4.120 -0.004 0.000 0.272 425 V C -0.080 176.018 176.094 0.007 0.000 1.011 425 V CA -0.747 61.541 62.300 -0.021 0.000 0.826 425 V CB 0.837 32.645 31.823 -0.025 0.000 1.040 425 V HN 0.448 nan 8.190 nan 0.000 0.441 426 D N 0.820 121.223 120.400 0.005 0.000 2.371 426 D HA -0.061 4.576 4.640 -0.004 0.000 0.221 426 D C 0.410 176.719 176.300 0.014 0.000 0.986 426 D CA 0.402 54.412 54.000 0.016 0.000 0.899 426 D CB 0.413 41.218 40.800 0.009 0.000 0.902 426 D HN 0.449 nan 8.370 nan 0.000 0.530 427 D N 0.246 120.651 120.400 0.008 0.000 2.308 427 D HA 0.051 4.689 4.640 -0.004 0.000 0.242 427 D C 0.284 176.589 176.300 0.008 0.000 1.059 427 D CA -0.530 53.474 54.000 0.006 0.000 0.830 427 D CB 1.495 42.295 40.800 0.001 0.000 1.161 427 D HN -0.037 nan 8.370 nan 0.000 0.494 428 E N 2.573 122.778 120.200 0.010 0.000 2.371 428 E HA -0.118 4.230 4.350 -0.004 0.000 0.194 428 E C 0.666 177.268 176.600 0.004 0.000 1.012 428 E CA 0.391 56.797 56.400 0.010 0.000 0.860 428 E CB 0.483 30.189 29.700 0.010 0.000 0.811 428 E HN 0.461 nan 8.360 nan 0.000 0.502 429 E N 0.074 120.275 120.200 0.002 0.000 2.427 429 E HA 0.017 4.364 4.350 -0.004 0.000 0.196 429 E C 1.857 178.456 176.600 -0.002 0.000 1.028 429 E CA 0.170 56.569 56.400 -0.000 0.000 0.864 429 E CB 0.065 29.765 29.700 -0.000 0.000 0.813 429 E HN 0.265 nan 8.360 nan 0.000 0.514 430 L N -0.390 120.831 121.223 -0.004 0.000 2.162 430 L HA -0.035 4.303 4.340 -0.004 0.000 0.205 430 L C 2.028 178.892 176.870 -0.011 0.000 1.086 430 L CA 0.429 55.265 54.840 -0.008 0.000 0.778 430 L CB -0.264 41.789 42.059 -0.010 0.000 0.928 430 L HN 0.225 nan 8.230 nan 0.000 0.446 431 L N -0.225 120.992 121.223 -0.010 0.000 1.970 431 L HA -0.231 4.106 4.340 -0.004 0.000 0.212 431 L C 2.424 179.285 176.870 -0.014 0.000 1.071 431 L CA 1.491 56.322 54.840 -0.015 0.000 0.751 431 L CB -0.570 41.484 42.059 -0.007 0.000 0.889 431 L HN 0.254 nan 8.230 nan 0.000 0.432 432 E N -0.095 120.100 120.200 -0.009 0.000 2.396 432 E HA -0.212 4.136 4.350 -0.004 0.000 0.200 432 E C 2.152 178.748 176.600 -0.006 0.000 1.023 432 E CA 0.641 57.036 56.400 -0.008 0.000 0.857 432 E CB 0.020 29.718 29.700 -0.004 0.000 0.775 432 E HN 0.490 nan 8.360 nan 0.000 0.525 433 L N 0.054 121.273 121.223 -0.006 0.000 2.084 433 L HA -0.114 4.223 4.340 -0.004 0.000 0.202 433 L C 2.345 179.213 176.870 -0.003 0.000 1.074 433 L CA 0.637 55.475 54.840 -0.003 0.000 0.757 433 L CB -0.165 41.892 42.059 -0.003 0.000 0.918 433 L HN 0.010 nan 8.230 nan 0.000 0.444 434 V N 0.492 120.401 119.914 -0.008 0.000 2.282 434 V HA -0.343 3.775 4.120 -0.004 0.000 0.249 434 V C 2.419 178.508 176.094 -0.008 0.000 1.057 434 V CA 2.029 64.324 62.300 -0.008 0.000 1.032 434 V CB -0.560 31.252 31.823 -0.019 0.000 0.645 434 V HN 0.487 nan 8.190 nan 0.000 0.447 435 E N -0.825 119.366 120.200 -0.016 0.000 2.048 435 E HA -0.316 4.032 4.350 -0.004 0.000 0.202 435 E C 2.317 178.913 176.600 -0.007 0.000 1.021 435 E CA 1.847 58.236 56.400 -0.018 0.000 0.825 435 E CB -0.293 29.393 29.700 -0.023 0.000 0.756 435 E HN 0.361 nan 8.360 nan 0.000 0.454 436 M N 0.788 120.387 119.600 -0.002 0.000 2.204 436 M HA -0.271 4.206 4.480 -0.004 0.000 0.255 436 M C 2.074 178.382 176.300 0.013 0.000 1.073 436 M CA 1.760 57.063 55.300 0.005 0.000 1.084 436 M CB -0.947 31.657 32.600 0.006 0.000 1.289 436 M HN 0.164 nan 8.290 nan 0.000 0.419 437 E N -0.984 119.224 120.200 0.013 0.000 2.070 437 E HA -0.216 4.132 4.350 -0.004 0.000 0.197 437 E C 1.931 178.549 176.600 0.031 0.000 1.004 437 E CA 1.872 58.285 56.400 0.023 0.000 0.805 437 E CB -0.312 29.401 29.700 0.023 0.000 0.744 437 E HN 0.455 nan 8.360 nan 0.000 0.451 438 V N 0.753 120.680 119.914 0.022 0.000 2.591 438 V HA -0.129 3.988 4.120 -0.004 0.000 0.249 438 V C 2.000 178.109 176.094 0.026 0.000 1.053 438 V CA 1.334 63.648 62.300 0.023 0.000 1.068 438 V CB -0.238 31.589 31.823 0.006 0.000 0.689 438 V HN 0.132 nan 8.190 nan 0.000 0.462 439 R N -0.429 120.081 120.500 0.016 0.000 2.193 439 R HA -0.077 4.260 4.340 -0.004 0.000 0.229 439 R C 2.183 178.510 176.300 0.045 0.000 1.110 439 R CA 1.363 57.475 56.100 0.021 0.000 0.988 439 R CB -0.039 30.265 30.300 0.007 0.000 0.871 439 R HN 0.522 nan 8.270 nan 0.000 0.458 440 E N 0.456 120.685 120.200 0.047 0.000 2.075 440 E HA -0.020 4.328 4.350 -0.004 0.000 0.190 440 E C 2.059 178.711 176.600 0.086 0.000 0.969 440 E CA 0.503 56.936 56.400 0.054 0.000 0.815 440 E CB -0.136 29.587 29.700 0.038 0.000 0.776 440 E HN 0.239 nan 8.360 nan 0.000 0.457 441 L N 0.793 122.080 121.223 0.107 0.000 1.997 441 L HA -0.226 4.112 4.340 -0.004 0.000 0.216 441 L C 2.604 179.636 176.870 0.271 0.000 1.074 441 L CA 1.133 56.085 54.840 0.187 0.000 0.763 441 L CB -0.581 41.574 42.059 0.161 0.000 0.890 441 L HN 0.149 nan 8.230 nan 0.000 0.434 442 L N -1.022 120.316 121.223 0.192 0.000 2.137 442 L HA -0.274 4.064 4.340 -0.004 0.000 0.213 442 L C 2.428 179.481 176.870 0.306 0.000 1.085 442 L CA 1.304 56.286 54.840 0.237 0.000 0.760 442 L CB -0.323 41.810 42.059 0.123 0.000 0.893 442 L HN 0.234 nan 8.230 nan 0.000 0.434 443 S N -1.656 114.155 115.700 0.185 0.000 2.548 443 S HA -0.046 4.421 4.470 -0.004 0.000 0.215 443 S C 1.662 176.289 174.600 0.045 0.000 0.976 443 S CA 0.124 58.396 58.200 0.121 0.000 0.908 443 S CB 0.272 63.516 63.200 0.074 0.000 0.781 443 S HN 0.387 nan 8.310 nan 0.000 0.519 444 Q N -0.464 119.342 119.800 0.011 0.000 2.297 444 Q HA 0.009 4.347 4.340 -0.004 0.000 0.204 444 Q C 0.052 175.808 176.000 -0.407 0.000 0.962 444 Q CA 1.046 56.708 55.803 -0.236 0.000 0.879 444 Q CB 0.075 28.587 28.738 -0.377 0.000 0.947 444 Q HN 0.625 nan 8.270 nan 0.000 0.462 445 Y N -0.633 119.717 120.300 0.083 0.000 2.720 445 Y HA 0.140 4.688 4.550 -0.004 0.000 0.277 445 Y C -0.496 175.360 175.900 -0.072 0.000 1.144 445 Y CA -0.430 57.708 58.100 0.062 0.000 1.221 445 Y CB 0.664 39.227 38.460 0.172 0.000 1.163 445 Y HN 0.041 nan 8.280 nan 0.000 0.537 446 D N -1.590 118.816 120.400 0.010 0.000 3.077 446 D HA -0.220 4.418 4.640 -0.004 0.000 0.212 446 D C -0.547 175.637 176.300 -0.194 0.000 1.125 446 D CA 0.873 54.809 54.000 -0.108 0.000 0.970 446 D CB -1.825 38.874 40.800 -0.168 0.000 1.110 446 D HN 0.204 nan 8.370 nan 0.000 0.419 447 F N 0.487 120.476 119.950 0.066 0.000 2.382 447 F HA 0.348 4.873 4.527 -0.003 0.000 0.331 447 F C -1.314 174.517 175.800 0.052 0.000 1.121 447 F CA -2.060 55.970 58.000 0.050 0.000 1.183 447 F CB 0.293 39.331 39.000 0.063 0.000 1.207 447 F HN -0.268 nan 8.300 nan 0.000 0.555 448 P HA 0.056 nan 4.420 nan 0.000 0.259 448 P C 0.599 177.989 177.300 0.150 0.000 1.635 448 P CA 0.304 63.510 63.100 0.177 0.000 1.199 448 P CB 0.124 31.947 31.700 0.206 0.000 1.850 449 G N 3.230 112.103 108.800 0.122 0.000 2.421 449 G HA2 -0.232 3.725 3.960 -0.004 0.000 0.216 449 G HA3 -0.232 3.725 3.960 -0.004 0.000 0.216 449 G C 1.015 175.942 174.900 0.045 0.000 1.171 449 G CA 0.493 45.644 45.100 0.085 0.000 0.775 449 G HN 0.257 nan 8.290 nan 0.000 0.543 450 D N 0.764 121.190 120.400 0.045 0.000 2.178 450 D HA -0.027 4.611 4.640 -0.004 0.000 0.202 450 D C 1.429 177.741 176.300 0.019 0.000 0.974 450 D CA 0.856 54.872 54.000 0.028 0.000 0.841 450 D CB -0.059 40.760 40.800 0.031 0.000 0.953 450 D HN 0.201 nan 8.370 nan 0.000 0.478 451 D N -0.654 119.769 120.400 0.039 0.000 2.369 451 D HA -0.006 4.631 4.640 -0.004 0.000 0.211 451 D C 0.357 176.645 176.300 -0.020 0.000 1.077 451 D CA 0.198 54.222 54.000 0.039 0.000 0.842 451 D CB 0.265 41.125 40.800 0.100 0.000 0.947 451 D HN 0.030 nan 8.370 nan 0.000 0.509 452 T N 2.692 117.209 114.554 -0.061 0.000 2.794 452 T HA 0.228 4.576 4.350 -0.004 0.000 0.296 452 T C -2.577 171.909 174.700 -0.357 0.000 0.949 452 T CA -1.717 60.254 62.100 -0.215 0.000 1.101 452 T CB 1.222 70.025 68.868 -0.108 0.000 0.905 452 T HN -0.148 nan 8.240 nan 0.000 0.516 453 P HA 0.266 nan 4.420 nan 0.000 0.271 453 P C -0.846 176.179 177.300 -0.458 0.000 1.216 453 P CA -0.283 62.360 63.100 -0.761 0.000 0.771 453 P CB 0.412 31.185 31.700 -1.545 0.000 0.864 454 I N 3.816 124.223 120.570 -0.271 0.000 2.468 454 I HA 0.189 4.357 4.170 -0.004 0.000 0.284 454 I C 0.424 176.522 176.117 -0.031 0.000 1.038 454 I CA -1.141 60.083 61.300 -0.128 0.000 1.083 454 I CB 1.728 39.666 38.000 -0.102 0.000 1.223 454 I HN 0.113 nan 8.210 nan 0.000 0.443 455 V N 5.709 125.631 119.914 0.014 0.000 2.481 455 V HA 0.594 4.711 4.120 -0.004 0.000 0.286 455 V C -0.004 175.975 176.094 -0.193 0.000 1.042 455 V CA -0.557 61.758 62.300 0.025 0.000 0.928 455 V CB 1.445 33.373 31.823 0.175 0.000 0.986 455 V HN 0.765 nan 8.190 nan 0.000 0.462 456 R N 4.769 125.197 120.500 -0.119 0.000 2.215 456 R HA 0.769 5.107 4.340 -0.004 0.000 0.336 456 R C 0.068 176.349 176.300 -0.032 0.000 0.996 456 R CA -0.086 55.928 56.100 -0.144 0.000 0.847 456 R CB 1.515 31.798 30.300 -0.027 0.000 1.127 456 R HN 1.141 nan 8.270 nan 0.000 0.465 457 G N 0.400 109.078 108.800 -0.204 0.000 2.702 457 G HA2 0.181 4.139 3.960 -0.004 0.000 0.296 457 G HA3 0.181 4.139 3.960 -0.004 0.000 0.296 457 G C -1.319 173.567 174.900 -0.023 0.000 1.463 457 G CA -0.565 44.620 45.100 0.142 0.000 0.890 457 G HN 0.347 nan 8.290 nan 0.000 0.534 458 S N -0.192 115.416 115.700 -0.154 0.000 2.565 458 S HA 0.562 5.029 4.470 -0.004 0.000 0.274 458 S C 1.466 176.101 174.600 0.059 0.000 1.309 458 S CA 0.533 58.600 58.200 -0.220 0.000 1.043 458 S CB 1.264 64.067 63.200 -0.662 0.000 0.939 458 S HN 1.550 nan 8.310 nan 0.000 0.504 459 A N 4.278 127.146 122.820 0.079 0.000 1.984 459 A HA 0.143 4.460 4.320 -0.004 0.000 0.214 459 A C 1.805 179.368 177.584 -0.036 0.000 1.173 459 A CA 0.414 52.472 52.037 0.036 0.000 0.673 459 A CB -0.589 18.408 19.000 -0.006 0.000 0.830 459 A HN 0.728 nan 8.150 nan 0.000 0.453 460 L N -0.285 120.895 121.223 -0.071 0.000 2.109 460 L HA -0.020 4.317 4.340 -0.004 0.000 0.207 460 L C 1.997 178.817 176.870 -0.083 0.000 1.086 460 L CA 1.760 56.551 54.840 -0.082 0.000 0.760 460 L CB -0.433 41.569 42.059 -0.095 0.000 0.910 460 L HN 0.136 nan 8.230 nan 0.000 0.437 461 K N -0.218 120.108 120.400 -0.124 0.000 2.097 461 K HA 0.071 4.389 4.320 -0.004 0.000 0.205 461 K C 1.986 178.606 176.600 0.035 0.000 1.050 461 K CA 1.215 57.454 56.287 -0.079 0.000 0.938 461 K CB -0.713 31.637 32.500 -0.249 0.000 0.718 461 K HN 0.360 nan 8.250 nan 0.000 0.442 462 A N 1.074 123.929 122.820 0.058 0.000 2.178 462 A HA -0.054 4.263 4.320 -0.004 0.000 0.218 462 A C 2.128 179.716 177.584 0.007 0.000 1.157 462 A CA 0.895 52.980 52.037 0.080 0.000 0.689 462 A CB -0.504 18.554 19.000 0.096 0.000 0.787 462 A HN 0.160 nan 8.150 nan 0.000 0.465 463 L N -1.059 120.150 121.223 -0.024 0.000 2.162 463 L HA -0.026 4.311 4.340 -0.004 0.000 0.205 463 L C 1.598 178.442 176.870 -0.043 0.000 1.086 463 L CA 0.686 55.492 54.840 -0.058 0.000 0.778 463 L CB -0.268 41.746 42.059 -0.075 0.000 0.928 463 L HN 0.386 nan 8.230 nan 0.000 0.446 464 E N 0.682 120.869 120.200 -0.020 0.000 2.382 464 E HA 0.050 4.397 4.350 -0.004 0.000 0.190 464 E C 0.981 177.585 176.600 0.007 0.000 1.125 464 E CA 0.391 56.786 56.400 -0.009 0.000 0.929 464 E CB -0.193 29.505 29.700 -0.003 0.000 1.053 464 E HN 0.474 nan 8.360 nan 0.000 0.475 465 G N 2.790 111.591 108.800 0.002 0.000 2.283 465 G HA2 -0.279 3.679 3.960 -0.004 0.000 0.280 465 G HA3 -0.279 3.679 3.960 -0.004 0.000 0.280 465 G C -0.248 174.668 174.900 0.026 0.000 1.029 465 G CA 0.461 45.564 45.100 0.005 0.000 0.840 465 G HN 0.359 nan 8.290 nan 0.000 0.505 466 D N 0.219 120.657 120.400 0.062 0.000 2.479 466 D HA 0.599 5.237 4.640 -0.004 0.000 0.218 466 D C 1.561 177.914 176.300 0.088 0.000 1.131 466 D CA 0.280 54.339 54.000 0.099 0.000 0.916 466 D CB 0.455 41.372 40.800 0.195 0.000 1.022 466 D HN 0.324 nan 8.370 nan 0.000 0.515 467 A N 4.022 126.856 122.820 0.024 0.000 1.997 467 A HA -0.247 4.071 4.320 -0.004 0.000 0.221 467 A C 1.885 179.440 177.584 -0.047 0.000 1.172 467 A CA 1.541 53.572 52.037 -0.009 0.000 0.645 467 A CB -0.320 18.662 19.000 -0.030 0.000 0.813 467 A HN 0.659 nan 8.150 nan 0.000 0.454 468 E N -1.585 118.553 120.200 -0.104 0.000 2.085 468 E HA -0.246 4.102 4.350 -0.004 0.000 0.194 468 E C 1.475 177.843 176.600 -0.385 0.000 0.994 468 E CA 1.679 57.900 56.400 -0.298 0.000 0.801 468 E CB -0.231 29.212 29.700 -0.428 0.000 0.743 468 E HN 0.942 nan 8.360 nan 0.000 0.453 469 W N 0.377 121.674 121.300 -0.005 0.000 3.278 469 W HA 0.173 4.830 4.660 -0.006 0.000 0.308 469 W C 1.734 178.263 176.519 0.017 0.000 1.253 469 W CA -0.389 56.961 57.345 0.009 0.000 1.759 469 W CB 0.428 29.895 29.460 0.012 0.000 1.093 469 W HN 0.016 nan 8.180 nan 0.000 0.648 470 E N 0.731 121.024 120.200 0.155 0.000 2.107 470 E HA -0.123 4.225 4.350 -0.004 0.000 0.191 470 E C 2.338 178.971 176.600 0.055 0.000 0.982 470 E CA 1.125 57.576 56.400 0.085 0.000 0.809 470 E CB -0.138 29.581 29.700 0.031 0.000 0.756 470 E HN 0.210 nan 8.360 nan 0.000 0.459 471 A N 1.469 124.303 122.820 0.023 0.000 1.972 471 A HA -0.166 4.152 4.320 -0.004 0.000 0.219 471 A C 1.889 179.494 177.584 0.034 0.000 1.169 471 A CA 1.098 53.136 52.037 0.000 0.000 0.635 471 A CB -0.145 18.829 19.000 -0.043 0.000 0.810 471 A HN -0.044 nan 8.150 nan 0.000 0.446 472 K N -0.072 120.381 120.400 0.088 0.000 2.209 472 K HA -0.031 4.287 4.320 -0.004 0.000 0.204 472 K C 1.700 178.435 176.600 0.226 0.000 1.048 472 K CA 0.718 57.099 56.287 0.156 0.000 0.940 472 K CB -0.415 32.230 32.500 0.241 0.000 0.729 472 K HN 0.490 nan 8.250 nan 0.000 0.451 473 I N 0.494 121.176 120.570 0.186 0.000 2.235 473 I HA -0.183 3.984 4.170 -0.004 0.000 0.241 473 I C 2.164 178.317 176.117 0.061 0.000 1.085 473 I CA 0.813 62.187 61.300 0.123 0.000 1.378 473 I CB -1.060 36.962 38.000 0.036 0.000 1.076 473 I HN -0.004 nan 8.210 nan 0.000 0.415 474 L N 0.846 122.093 121.223 0.040 0.000 2.129 474 L HA -0.225 4.112 4.340 -0.004 0.000 0.212 474 L C 2.537 179.410 176.870 0.006 0.000 1.087 474 L CA 1.606 56.468 54.840 0.038 0.000 0.757 474 L CB -0.811 41.266 42.059 0.030 0.000 0.896 474 L HN 0.316 nan 8.230 nan 0.000 0.434 475 E N 0.025 120.216 120.200 -0.016 0.000 2.058 475 E HA -0.278 4.070 4.350 -0.004 0.000 0.194 475 E C 2.195 178.703 176.600 -0.152 0.000 0.997 475 E CA 1.350 57.676 56.400 -0.123 0.000 0.801 475 E CB -0.145 29.514 29.700 -0.068 0.000 0.746 475 E HN 0.325 nan 8.360 nan 0.000 0.450 476 L N 1.028 122.293 121.223 0.071 0.000 1.989 476 L HA -0.128 4.209 4.340 -0.004 0.000 0.211 476 L C 2.262 179.200 176.870 0.114 0.000 1.071 476 L CA 2.489 57.447 54.840 0.196 0.000 0.749 476 L CB -0.967 41.245 42.059 0.255 0.000 0.890 476 L HN 0.165 nan 8.230 nan 0.000 0.431 477 A N -0.549 122.300 122.820 0.049 0.000 2.070 477 A HA -0.020 4.298 4.320 -0.004 0.000 0.220 477 A C 2.296 179.933 177.584 0.088 0.000 1.159 477 A CA 1.279 53.353 52.037 0.063 0.000 0.656 477 A CB -1.525 17.526 19.000 0.086 0.000 0.800 477 A HN 0.583 nan 8.150 nan 0.000 0.453 478 G N -1.489 107.302 108.800 -0.016 0.000 2.448 478 G HA2 -0.093 3.865 3.960 -0.004 0.000 0.219 478 G HA3 -0.093 3.865 3.960 -0.004 0.000 0.219 478 G C 1.212 176.062 174.900 -0.082 0.000 1.127 478 G CA 0.996 46.035 45.100 -0.101 0.000 0.766 478 G HN 0.426 nan 8.290 nan 0.000 0.552 479 F N 0.024 120.023 119.950 0.082 0.000 2.219 479 F HA 0.228 4.753 4.527 -0.003 0.000 0.294 479 F C 2.395 178.263 175.800 0.112 0.000 1.086 479 F CA -0.275 57.775 58.000 0.083 0.000 1.330 479 F CB -0.703 38.316 39.000 0.032 0.000 1.047 479 F HN -0.053 nan 8.300 nan 0.000 0.495 480 L N 0.296 121.669 121.223 0.250 0.000 2.089 480 L HA -0.269 4.068 4.340 -0.004 0.000 0.213 480 L C 1.982 179.018 176.870 0.278 0.000 1.079 480 L CA 1.687 56.607 54.840 0.134 0.000 0.758 480 L CB -1.190 40.743 42.059 -0.210 0.000 0.891 480 L HN 0.088 nan 8.230 nan 0.000 0.433 481 D N -1.502 119.070 120.400 0.287 0.000 2.144 481 D HA -0.091 4.546 4.640 -0.004 0.000 0.200 481 D C 2.269 178.669 176.300 0.166 0.000 0.978 481 D CA 1.599 55.746 54.000 0.245 0.000 0.833 481 D CB 0.152 41.047 40.800 0.158 0.000 0.961 481 D HN 0.493 nan 8.370 nan 0.000 0.470 482 S N -1.586 114.227 115.700 0.189 0.000 2.564 482 S HA -0.007 4.460 4.470 -0.004 0.000 0.231 482 S C 1.917 176.605 174.600 0.147 0.000 1.067 482 S CA -0.374 57.921 58.200 0.159 0.000 0.908 482 S CB -0.204 63.108 63.200 0.187 0.000 0.809 482 S HN 0.194 nan 8.310 nan 0.000 0.491 483 Y N 2.307 122.643 120.300 0.059 0.000 2.262 483 Y HA 0.461 5.009 4.550 -0.004 0.000 0.295 483 Y C 0.630 176.353 175.900 -0.295 0.000 1.121 483 Y CA 0.055 58.111 58.100 -0.073 0.000 1.144 483 Y CB 0.007 38.454 38.460 -0.023 0.000 1.043 483 Y HN 0.141 nan 8.280 nan 0.000 0.528 484 I N 4.321 124.833 120.570 -0.097 0.000 2.483 484 I HA 0.096 4.264 4.170 -0.004 0.000 0.291 484 I C -2.231 173.774 176.117 -0.186 0.000 1.112 484 I CA -1.721 59.451 61.300 -0.213 0.000 1.350 484 I CB 0.158 38.186 38.000 0.047 0.000 1.419 484 I HN 0.102 nan 8.210 nan 0.000 0.523 485 P HA 0.024 nan 4.420 nan 0.000 0.271 485 P C -0.240 177.035 177.300 -0.041 0.000 1.218 485 P CA -0.405 62.590 63.100 -0.175 0.000 0.780 485 P CB 0.493 32.084 31.700 -0.181 0.000 0.901 486 E N 3.949 124.139 120.200 -0.016 0.000 2.415 486 E HA 0.031 4.379 4.350 -0.004 0.000 0.260 486 E C -1.559 175.054 176.600 0.021 0.000 1.016 486 E CA -1.434 54.971 56.400 0.007 0.000 0.924 486 E CB -0.088 29.611 29.700 -0.001 0.000 0.961 486 E HN 0.311 nan 8.360 nan 0.000 0.459 487 P HA -0.032 nan 4.420 nan 0.000 0.267 487 P C -0.611 176.712 177.300 0.038 0.000 1.205 487 P CA 0.143 63.271 63.100 0.046 0.000 0.765 487 P CB 0.619 32.352 31.700 0.055 0.000 0.828 488 E N 3.580 123.804 120.200 0.039 0.000 2.606 488 E HA -0.073 4.274 4.350 -0.004 0.000 0.248 488 E C 0.018 176.640 176.600 0.036 0.000 1.005 488 E CA -0.086 56.335 56.400 0.035 0.000 0.946 488 E CB 0.318 30.041 29.700 0.037 0.000 0.928 488 E HN 0.257 nan 8.360 nan 0.000 0.494 489 R N 3.093 123.612 120.500 0.032 0.000 2.623 489 R HA 0.029 4.367 4.340 -0.004 0.000 0.271 489 R C 1.167 177.490 176.300 0.039 0.000 1.043 489 R CA 0.233 56.354 56.100 0.035 0.000 1.083 489 R CB 0.394 30.712 30.300 0.029 0.000 0.974 489 R HN 0.642 nan 8.270 nan 0.000 0.436 490 A N 3.727 126.571 122.820 0.041 0.000 1.986 490 A HA -0.186 4.132 4.320 -0.004 0.000 0.220 490 A C 1.860 179.472 177.584 0.046 0.000 1.171 490 A CA 1.759 53.821 52.037 0.041 0.000 0.640 490 A CB -0.756 18.268 19.000 0.040 0.000 0.811 490 A HN 0.870 nan 8.150 nan 0.000 0.451 491 I N -4.745 115.853 120.570 0.048 0.000 3.812 491 I HA 0.138 4.305 4.170 -0.004 0.000 0.320 491 I C 0.115 176.264 176.117 0.054 0.000 1.276 491 I CA 0.604 61.937 61.300 0.056 0.000 1.164 491 I CB 0.038 38.070 38.000 0.053 0.000 1.009 491 I HN -0.074 nan 8.210 nan 0.000 0.431 492 D N 1.550 121.978 120.400 0.047 0.000 2.389 492 D HA 0.125 4.763 4.640 -0.004 0.000 0.206 492 D C 0.318 176.647 176.300 0.047 0.000 1.055 492 D CA 0.345 54.371 54.000 0.043 0.000 0.856 492 D CB 0.370 41.191 40.800 0.035 0.000 0.957 492 D HN 0.450 nan 8.370 nan 0.000 0.509 493 K N 2.131 122.560 120.400 0.049 0.000 2.154 493 K HA 0.271 4.589 4.320 -0.004 0.000 0.264 493 K C -2.386 174.252 176.600 0.064 0.000 1.008 493 K CA -1.587 54.728 56.287 0.048 0.000 0.937 493 K CB 0.338 32.861 32.500 0.038 0.000 1.002 493 K HN -0.096 nan 8.250 nan 0.000 0.469 494 P HA -0.133 nan 4.420 nan 0.000 0.264 494 P C -0.300 177.068 177.300 0.113 0.000 1.193 494 P CA 0.087 63.242 63.100 0.093 0.000 0.763 494 P CB 0.189 31.931 31.700 0.070 0.000 0.810 495 F N 4.791 124.754 119.950 0.022 0.000 2.613 495 F HA 0.046 4.571 4.527 -0.004 0.000 0.373 495 F C -0.168 175.647 175.800 0.025 0.000 1.085 495 F CA 0.539 58.553 58.000 0.024 0.000 1.309 495 F CB 0.156 39.169 39.000 0.022 0.000 0.986 495 F HN 0.287 nan 8.300 nan 0.000 0.592 496 L N 8.006 128.639 121.223 -0.983 0.000 2.676 496 L HA 0.455 4.793 4.340 -0.004 0.000 0.262 496 L C -2.149 174.248 176.870 -0.788 0.000 0.932 496 L CA -0.681 53.654 54.840 -0.841 0.000 0.932 496 L CB 1.467 43.333 42.059 -0.322 0.000 1.355 496 L HN 0.791 nan 8.230 nan 0.000 0.421 497 L N 7.060 127.862 121.223 -0.702 0.000 2.372 497 L HA 0.699 5.036 4.340 -0.004 0.000 0.273 497 L C -2.446 174.352 176.870 -0.120 0.000 0.989 497 L CA -1.405 53.267 54.840 -0.280 0.000 0.841 497 L CB 1.976 43.985 42.059 -0.083 0.000 1.225 497 L HN 0.355 nan 8.230 nan 0.000 0.414 498 P HA 0.107 nan 4.420 nan 0.000 0.262 498 P C -0.617 176.688 177.300 0.008 0.000 1.199 498 P CA 0.442 63.528 63.100 -0.024 0.000 0.763 498 P CB 0.309 32.009 31.700 0.000 0.000 0.790 499 I N 3.785 124.359 120.570 0.006 0.000 2.379 499 I HA 0.061 4.228 4.170 -0.004 0.000 0.290 499 I C 1.332 177.464 176.117 0.024 0.000 1.063 499 I CA 0.254 61.571 61.300 0.027 0.000 1.351 499 I CB 0.589 38.598 38.000 0.015 0.000 1.410 499 I HN 0.431 nan 8.210 nan 0.000 0.505 500 E N 3.068 123.299 120.200 0.051 0.000 2.307 500 E HA 0.047 4.395 4.350 -0.004 0.000 0.195 500 E C -0.269 176.343 176.600 0.020 0.000 0.975 500 E CA 0.369 56.799 56.400 0.050 0.000 0.878 500 E CB 0.502 30.250 29.700 0.079 0.000 0.845 500 E HN 0.564 nan 8.360 nan 0.000 0.488 501 D N -0.623 119.783 120.400 0.011 0.000 2.685 501 D HA 0.142 4.779 4.640 -0.004 0.000 0.236 501 D C -1.693 174.470 176.300 -0.228 0.000 1.233 501 D CA -0.528 53.376 54.000 -0.160 0.000 0.760 501 D CB 2.216 42.882 40.800 -0.224 0.000 1.410 501 D HN -0.148 nan 8.370 nan 0.000 0.439 502 V N 0.393 120.039 119.914 -0.446 0.000 2.540 502 V HA 0.823 4.941 4.120 -0.004 0.000 0.302 502 V C -0.593 175.167 176.094 -0.557 0.000 1.035 502 V CA -0.739 61.379 62.300 -0.302 0.000 0.873 502 V CB 1.192 32.927 31.823 -0.146 0.000 0.992 502 V HN 0.365 nan 8.190 nan 0.000 0.428 503 F N 0.930 120.865 119.950 -0.026 0.000 2.563 503 F HA 0.671 5.195 4.527 -0.004 0.000 0.316 503 F C 0.503 176.249 175.800 -0.090 0.000 1.076 503 F CA -0.959 57.011 58.000 -0.051 0.000 0.921 503 F CB 2.308 41.268 39.000 -0.067 0.000 1.209 503 F HN 0.434 nan 8.300 nan 0.000 0.462 504 S N 3.230 118.997 115.700 0.111 0.000 2.434 504 S HA 0.515 4.983 4.470 -0.004 0.000 0.318 504 S C -0.544 174.077 174.600 0.035 0.000 1.062 504 S CA -0.530 57.697 58.200 0.046 0.000 1.116 504 S CB -0.460 62.758 63.200 0.030 0.000 0.977 504 S HN 0.355 nan 8.310 nan 0.000 0.480 505 I N 4.074 124.639 120.570 -0.009 0.000 2.301 505 I HA 0.192 4.359 4.170 -0.004 0.000 0.292 505 I C 0.846 176.970 176.117 0.011 0.000 1.046 505 I CA -0.277 61.013 61.300 -0.017 0.000 1.282 505 I CB 0.592 38.540 38.000 -0.087 0.000 1.409 505 I HN 0.420 nan 8.210 nan 0.000 0.484 506 S N 4.947 120.665 115.700 0.030 0.000 2.596 506 S HA 0.182 4.649 4.470 -0.004 0.000 0.298 506 S C 1.318 175.937 174.600 0.030 0.000 1.255 506 S CA 0.746 58.964 58.200 0.031 0.000 1.083 506 S CB 0.230 63.452 63.200 0.037 0.000 0.837 506 S HN 1.074 nan 8.310 nan 0.000 0.499 507 G N 2.867 111.681 108.800 0.023 0.000 2.168 507 G HA2 -0.286 3.672 3.960 -0.004 0.000 0.257 507 G HA3 -0.286 3.672 3.960 -0.004 0.000 0.257 507 G C 0.661 175.573 174.900 0.020 0.000 0.997 507 G CA 0.680 45.792 45.100 0.021 0.000 0.708 507 G HN 0.664 nan 8.290 nan 0.000 0.520 508 R N -0.694 119.816 120.500 0.017 0.000 2.635 508 R HA 0.445 4.782 4.340 -0.004 0.000 0.241 508 R C 1.215 177.517 176.300 0.002 0.000 0.941 508 R CA 1.361 57.470 56.100 0.014 0.000 1.014 508 R CB 0.366 30.682 30.300 0.027 0.000 1.517 508 R HN 1.788 nan 8.270 nan 0.000 0.594 509 G N 0.599 109.398 108.800 -0.001 0.000 2.610 509 G HA2 -0.224 3.734 3.960 -0.004 0.000 0.304 509 G HA3 -0.224 3.734 3.960 -0.004 0.000 0.304 509 G C -0.785 174.107 174.900 -0.014 0.000 1.309 509 G CA -0.352 44.746 45.100 -0.004 0.000 0.906 509 G HN 0.105 nan 8.290 nan 0.000 0.521 510 T N -0.301 114.250 114.554 -0.005 0.000 2.907 510 T HA 0.537 4.884 4.350 -0.004 0.000 0.298 510 T C -0.041 174.658 174.700 -0.002 0.000 1.017 510 T CA 0.478 62.578 62.100 -0.001 0.000 1.118 510 T CB 1.637 70.510 68.868 0.008 0.000 0.948 510 T HN 1.633 nan 8.240 nan 0.000 0.531 511 V N 4.006 123.924 119.914 0.006 0.000 2.760 511 V HA 0.698 4.816 4.120 -0.004 0.000 0.309 511 V C -0.835 175.362 176.094 0.172 0.000 1.077 511 V CA -0.775 61.543 62.300 0.031 0.000 0.910 511 V CB 1.978 33.710 31.823 -0.153 0.000 1.008 511 V HN 0.811 nan 8.190 nan 0.000 0.424 512 V N 3.393 123.419 119.914 0.186 0.000 2.547 512 V HA 0.929 5.046 4.120 -0.004 0.000 0.299 512 V C -0.049 176.225 176.094 0.300 0.000 1.040 512 V CA 0.043 62.477 62.300 0.223 0.000 0.913 512 V CB 1.579 33.483 31.823 0.135 0.000 0.992 512 V HN 1.073 nan 8.190 nan 0.000 0.449 513 T N 1.379 116.152 114.554 0.364 0.000 2.823 513 T HA 0.938 5.285 4.350 -0.004 0.000 0.279 513 T C 0.116 174.935 174.700 0.199 0.000 0.998 513 T CA 0.061 62.350 62.100 0.315 0.000 0.994 513 T CB 1.270 70.368 68.868 0.384 0.000 0.960 513 T HN 1.745 nan 8.240 nan 0.000 0.448 514 G N 1.137 110.031 108.800 0.156 0.000 2.619 514 G HA2 0.567 4.524 3.960 -0.004 0.000 0.305 514 G HA3 0.567 4.524 3.960 -0.004 0.000 0.305 514 G C -1.734 173.222 174.900 0.092 0.000 1.330 514 G CA -1.177 43.987 45.100 0.108 0.000 0.789 514 G HN 0.838 nan 8.290 nan 0.000 0.487 515 R N 0.189 120.730 120.500 0.067 0.000 2.265 515 R HA 0.504 4.842 4.340 -0.004 0.000 0.328 515 R C -0.563 175.767 176.300 0.049 0.000 0.969 515 R CA -0.527 55.609 56.100 0.059 0.000 0.832 515 R CB 1.540 31.866 30.300 0.043 0.000 1.139 515 R HN 0.496 nan 8.270 nan 0.000 0.457 516 V N 5.579 125.537 119.914 0.073 0.000 2.420 516 V HA -0.032 4.086 4.120 -0.004 0.000 0.274 516 V C 1.143 177.250 176.094 0.022 0.000 1.003 516 V CA 0.813 63.150 62.300 0.062 0.000 1.092 516 V CB 0.605 32.535 31.823 0.178 0.000 1.002 516 V HN 1.004 nan 8.190 nan 0.000 0.473 517 E N 6.347 126.526 120.200 -0.034 0.000 2.106 517 E HA -0.056 4.291 4.350 -0.004 0.000 0.192 517 E C 0.865 177.459 176.600 -0.010 0.000 0.984 517 E CA 0.889 57.276 56.400 -0.022 0.000 0.806 517 E CB 0.278 29.954 29.700 -0.040 0.000 0.750 517 E HN 0.863 nan 8.360 nan 0.000 0.458 518 R N -2.161 118.323 120.500 -0.028 0.000 2.664 518 R HA 0.500 4.838 4.340 -0.004 0.000 0.266 518 R C -0.034 176.303 176.300 0.061 0.000 1.046 518 R CA -0.471 55.637 56.100 0.013 0.000 0.885 518 R CB 0.909 31.209 30.300 0.001 0.000 1.254 518 R HN 0.118 nan 8.270 nan 0.000 0.465 519 G N 1.067 109.930 108.800 0.105 0.000 2.584 519 G HA2 -0.114 3.843 3.960 -0.004 0.000 0.229 519 G HA3 -0.114 3.843 3.960 -0.004 0.000 0.229 519 G C -1.124 173.911 174.900 0.226 0.000 1.320 519 G CA 0.002 45.203 45.100 0.169 0.000 0.891 519 G HN 0.725 nan 8.290 nan 0.000 0.573 520 I N -0.148 120.570 120.570 0.247 0.000 2.656 520 I HA 0.691 4.859 4.170 -0.004 0.000 0.292 520 I C -0.488 175.586 176.117 -0.071 0.000 1.144 520 I CA -0.664 60.712 61.300 0.127 0.000 1.038 520 I CB 1.946 39.975 38.000 0.049 0.000 1.244 520 I HN 0.750 nan 8.210 nan 0.000 0.420 521 I N 6.711 127.111 120.570 -0.285 0.000 2.448 521 I HA 0.409 4.577 4.170 -0.004 0.000 0.281 521 I C -0.957 174.987 176.117 -0.289 0.000 1.027 521 I CA -0.523 60.409 61.300 -0.614 0.000 1.111 521 I CB 0.462 37.657 38.000 -1.340 0.000 1.236 521 I HN 0.494 nan 8.210 nan 0.000 0.452 522 K N 6.561 126.840 120.400 -0.202 0.000 2.172 522 K HA 0.352 4.670 4.320 -0.004 0.000 0.276 522 K C -0.293 176.239 176.600 -0.114 0.000 1.013 522 K CA -0.694 55.522 56.287 -0.118 0.000 0.913 522 K CB 1.783 34.236 32.500 -0.079 0.000 1.055 522 K HN 0.503 nan 8.250 nan 0.000 0.461 523 V N 0.290 120.155 119.914 -0.081 0.000 2.644 523 V HA 0.184 4.302 4.120 -0.004 0.000 0.305 523 V C 1.075 177.133 176.094 -0.059 0.000 1.053 523 V CA 0.919 63.180 62.300 -0.066 0.000 1.186 523 V CB -0.205 31.588 31.823 -0.049 0.000 0.895 523 V HN 1.071 nan 8.190 nan 0.000 0.490 524 G N 2.348 111.116 108.800 -0.054 0.000 2.213 524 G HA2 -0.204 3.754 3.960 -0.004 0.000 0.236 524 G HA3 -0.204 3.754 3.960 -0.004 0.000 0.236 524 G C 0.088 174.959 174.900 -0.047 0.000 0.991 524 G CA 0.273 45.347 45.100 -0.043 0.000 0.629 524 G HN 0.951 nan 8.290 nan 0.000 0.517 525 E N 0.907 121.066 120.200 -0.069 0.000 2.392 525 E HA 0.386 4.734 4.350 -0.004 0.000 0.259 525 E C 0.062 176.628 176.600 -0.056 0.000 1.108 525 E CA -0.084 56.273 56.400 -0.071 0.000 0.916 525 E CB 0.611 30.241 29.700 -0.117 0.000 0.989 525 E HN 0.478 nan 8.360 nan 0.000 0.432 526 E N 0.992 121.172 120.200 -0.034 0.000 2.249 526 E HA 0.292 4.639 4.350 -0.004 0.000 0.280 526 E C -0.842 175.762 176.600 0.006 0.000 1.016 526 E CA -0.525 55.868 56.400 -0.012 0.000 0.830 526 E CB 1.519 31.218 29.700 -0.001 0.000 1.081 526 E HN 0.212 nan 8.360 nan 0.000 0.395 527 V N -0.229 119.701 119.914 0.027 0.000 2.876 527 V HA 0.468 4.586 4.120 -0.004 0.000 0.312 527 V C -0.443 175.696 176.094 0.075 0.000 1.085 527 V CA -1.088 61.261 62.300 0.082 0.000 0.945 527 V CB 1.952 33.849 31.823 0.124 0.000 1.017 527 V HN 0.566 nan 8.190 nan 0.000 0.428 528 E N 2.963 123.214 120.200 0.085 0.000 2.231 528 E HA 0.505 4.852 4.350 -0.004 0.000 0.277 528 E C -0.806 175.825 176.600 0.051 0.000 0.999 528 E CA -0.668 55.763 56.400 0.050 0.000 0.827 528 E CB 2.757 32.476 29.700 0.032 0.000 1.101 528 E HN 0.832 nan 8.360 nan 0.000 0.393 529 I N 3.548 124.133 120.570 0.026 0.000 2.371 529 I HA 0.322 4.489 4.170 -0.004 0.000 0.282 529 I C -1.204 174.904 176.117 -0.016 0.000 1.031 529 I CA -0.526 60.780 61.300 0.011 0.000 1.180 529 I CB 0.718 38.726 38.000 0.012 0.000 1.336 529 I HN 0.232 nan 8.210 nan 0.000 0.467 530 V N 7.009 126.906 119.914 -0.028 0.000 2.628 530 V HA 1.020 5.138 4.120 -0.004 0.000 0.306 530 V C 0.138 176.192 176.094 -0.067 0.000 1.045 530 V CA 0.763 63.032 62.300 -0.051 0.000 0.905 530 V CB 1.397 33.187 31.823 -0.055 0.000 0.997 530 V HN 0.996 nan 8.190 nan 0.000 0.436 531 G N 4.511 113.261 108.800 -0.083 0.000 3.358 531 G HA2 -0.008 3.949 3.960 -0.004 0.000 0.106 531 G HA3 -0.008 3.949 3.960 -0.004 0.000 0.106 531 G C 0.361 175.200 174.900 -0.101 0.000 1.614 531 G CA 0.399 45.442 45.100 -0.096 0.000 1.046 531 G HN 0.700 nan 8.290 nan 0.000 0.320 532 I N 1.521 122.029 120.570 -0.104 0.000 3.708 532 I HA 0.344 4.512 4.170 -0.004 0.000 0.302 532 I C 0.959 176.996 176.117 -0.133 0.000 1.255 532 I CA 0.672 61.892 61.300 -0.134 0.000 1.362 532 I CB 0.353 38.240 38.000 -0.189 0.000 1.100 532 I HN 0.009 nan 8.210 nan 0.000 0.434 533 K N 0.489 120.828 120.400 -0.102 0.000 2.279 533 K HA 0.286 4.603 4.320 -0.004 0.000 0.238 533 K C -0.216 176.344 176.600 -0.066 0.000 1.084 533 K CA -0.890 55.347 56.287 -0.083 0.000 0.885 533 K CB 1.078 33.531 32.500 -0.078 0.000 1.319 533 K HN -0.147 nan 8.250 nan 0.000 0.494 534 E N 2.593 122.761 120.200 -0.054 0.000 2.614 534 E HA -0.081 4.267 4.350 -0.004 0.000 0.245 534 E C -0.528 176.045 176.600 -0.046 0.000 1.039 534 E CA 0.281 56.653 56.400 -0.048 0.000 0.948 534 E CB 0.330 30.008 29.700 -0.037 0.000 0.937 534 E HN 0.498 nan 8.360 nan 0.000 0.498 535 T N 3.880 118.404 114.554 -0.051 0.000 2.867 535 T HA -0.144 4.204 4.350 -0.004 0.000 0.290 535 T C -0.186 174.496 174.700 -0.030 0.000 1.025 535 T CA 0.622 62.696 62.100 -0.044 0.000 1.146 535 T CB 0.347 69.186 68.868 -0.048 0.000 1.024 535 T HN 0.496 nan 8.240 nan 0.000 0.519 536 Q N 3.081 122.868 119.800 -0.022 0.000 2.348 536 Q HA 0.564 4.901 4.340 -0.004 0.000 0.271 536 Q C -0.502 175.497 176.000 -0.003 0.000 1.067 536 Q CA -1.190 54.605 55.803 -0.013 0.000 0.839 536 Q CB 2.101 30.830 28.738 -0.014 0.000 1.354 536 Q HN 0.785 nan 8.270 nan 0.000 0.447 537 K N -0.359 120.041 120.400 0.001 0.000 2.166 537 K HA 0.803 5.121 4.320 -0.004 0.000 0.245 537 K C -0.457 176.149 176.600 0.010 0.000 0.967 537 K CA -0.703 55.589 56.287 0.009 0.000 0.863 537 K CB 2.114 34.619 32.500 0.007 0.000 1.107 537 K HN 0.494 nan 8.250 nan 0.000 0.436 538 S N -0.237 115.472 115.700 0.016 0.000 3.576 538 S HA 0.527 4.995 4.470 -0.004 0.000 0.321 538 S C -1.565 173.041 174.600 0.010 0.000 1.174 538 S CA -0.375 57.833 58.200 0.012 0.000 1.102 538 S CB 1.542 64.752 63.200 0.017 0.000 1.467 538 S HN 0.792 nan 8.310 nan 0.000 0.701 539 T N 0.350 114.909 114.554 0.007 0.000 3.225 539 T HA 0.308 4.656 4.350 -0.004 0.000 0.356 539 T C -1.183 173.511 174.700 -0.010 0.000 1.460 539 T CA -0.274 61.824 62.100 -0.005 0.000 1.126 539 T CB 0.563 69.425 68.868 -0.009 0.000 1.321 539 T HN 0.848 nan 8.240 nan 0.000 0.478 540 C N 5.168 124.451 119.300 -0.029 0.000 2.619 540 C HA 0.485 4.942 4.460 -0.004 0.000 0.389 540 C C 2.150 177.122 174.990 -0.029 0.000 1.314 540 C CA 0.712 59.709 59.018 -0.035 0.000 1.678 540 C CB -1.235 26.455 27.740 -0.083 0.000 2.398 540 C HN 0.991 nan 8.230 nan 0.000 0.582 541 T N 2.463 117.009 114.554 -0.014 0.000 3.060 541 T HA 0.457 4.805 4.350 -0.004 0.000 0.249 541 T C 0.657 175.347 174.700 -0.017 0.000 1.079 541 T CA 0.538 62.629 62.100 -0.015 0.000 1.013 541 T CB 0.090 68.953 68.868 -0.008 0.000 0.975 541 T HN 1.348 nan 8.240 nan 0.000 0.518 542 G N -0.294 108.499 108.800 -0.012 0.000 2.368 542 G HA2 0.490 4.448 3.960 -0.004 0.000 0.293 542 G HA3 0.490 4.448 3.960 -0.004 0.000 0.293 542 G C -2.254 172.653 174.900 0.012 0.000 1.467 542 G CA -0.496 44.598 45.100 -0.011 0.000 0.804 542 G HN 0.346 nan 8.290 nan 0.000 0.535 543 V N 1.032 120.954 119.914 0.013 0.000 2.655 543 V HA 0.652 4.769 4.120 -0.004 0.000 0.301 543 V C -0.734 175.397 176.094 0.062 0.000 1.082 543 V CA -0.674 61.656 62.300 0.049 0.000 0.899 543 V CB 1.624 33.462 31.823 0.025 0.000 1.014 543 V HN 1.062 nan 8.190 nan 0.000 0.429 544 E N 5.467 125.750 120.200 0.139 0.000 2.356 544 E HA 0.781 5.129 4.350 -0.004 0.000 0.275 544 E C -1.253 175.491 176.600 0.240 0.000 0.904 544 E CA -1.020 55.487 56.400 0.179 0.000 0.757 544 E CB 2.732 32.571 29.700 0.233 0.000 1.232 544 E HN 0.472 nan 8.360 nan 0.000 0.442 545 M N 1.076 120.812 119.600 0.226 0.000 2.705 545 M HA 0.320 4.798 4.480 -0.004 0.000 0.272 545 M C 0.511 177.014 176.300 0.338 0.000 1.172 545 M CA -0.791 54.648 55.300 0.232 0.000 0.901 545 M CB 0.655 33.356 32.600 0.167 0.000 1.516 545 M HN 0.720 nan 8.290 nan 0.000 0.530 546 F N 0.871 120.922 119.950 0.169 0.000 2.206 546 F HA -0.052 4.472 4.527 -0.004 0.000 0.298 546 F C 2.058 177.965 175.800 0.178 0.000 1.090 546 F CA 1.496 59.640 58.000 0.241 0.000 1.323 546 F CB 0.061 39.119 39.000 0.097 0.000 1.028 546 F HN 0.375 nan 8.300 nan 0.000 0.492 547 R N 1.238 121.868 120.500 0.216 0.000 2.094 547 R HA 0.023 4.361 4.340 -0.004 0.000 0.214 547 R C 0.682 177.005 176.300 0.038 0.000 1.174 547 R CA 0.928 57.089 56.100 0.102 0.000 0.919 547 R CB -0.835 29.570 30.300 0.175 0.000 0.795 547 R HN 0.098 nan 8.270 nan 0.000 0.465 548 K N 1.559 122.016 120.400 0.095 0.000 2.148 548 K HA 0.301 4.618 4.320 -0.004 0.000 0.239 548 K C -0.394 176.267 176.600 0.102 0.000 1.018 548 K CA -0.499 55.840 56.287 0.088 0.000 0.923 548 K CB 1.103 33.628 32.500 0.043 0.000 1.117 548 K HN 0.153 nan 8.250 nan 0.000 0.477 549 L N 1.255 122.457 121.223 -0.034 0.000 2.325 549 L HA 0.469 4.807 4.340 -0.004 0.000 0.278 549 L C -1.016 175.808 176.870 -0.076 0.000 1.023 549 L CA -0.905 53.848 54.840 -0.145 0.000 0.811 549 L CB 1.085 42.866 42.059 -0.462 0.000 1.249 549 L HN 0.545 nan 8.230 nan 0.000 0.431 550 L N 2.013 123.211 121.223 -0.043 0.000 2.301 550 L HA 0.500 4.837 4.340 -0.004 0.000 0.264 550 L C -0.257 176.594 176.870 -0.032 0.000 1.016 550 L CA -0.828 53.999 54.840 -0.022 0.000 0.821 550 L CB 1.727 43.793 42.059 0.010 0.000 1.346 550 L HN 0.587 nan 8.230 nan 0.000 0.429 551 D N -1.159 119.224 120.400 -0.029 0.000 2.389 551 D HA 0.006 4.644 4.640 -0.004 0.000 0.206 551 D C 0.110 176.389 176.300 -0.035 0.000 1.055 551 D CA 0.144 54.123 54.000 -0.035 0.000 0.856 551 D CB 0.482 41.261 40.800 -0.035 0.000 0.957 551 D HN 0.706 nan 8.370 nan 0.000 0.509 552 E N -0.577 119.609 120.200 -0.024 0.000 2.356 552 E HA 0.586 4.934 4.350 -0.004 0.000 0.275 552 E C -0.781 175.817 176.600 -0.004 0.000 0.904 552 E CA -1.390 54.993 56.400 -0.029 0.000 0.757 552 E CB 1.802 31.488 29.700 -0.025 0.000 1.232 552 E HN -0.040 nan 8.360 nan 0.000 0.442 553 G N 2.257 111.053 108.800 -0.007 0.000 2.347 553 G HA2 0.420 4.377 3.960 -0.004 0.000 0.314 553 G HA3 0.420 4.377 3.960 -0.004 0.000 0.314 553 G C -0.864 174.089 174.900 0.088 0.000 1.126 553 G CA -0.720 44.413 45.100 0.055 0.000 0.929 553 G HN 0.402 nan 8.290 nan 0.000 0.441 554 R N 2.272 122.825 120.500 0.088 0.000 2.393 554 R HA 0.572 4.910 4.340 -0.004 0.000 0.310 554 R C 0.580 176.939 176.300 0.098 0.000 0.968 554 R CA -0.634 55.519 56.100 0.087 0.000 0.867 554 R CB 1.299 31.633 30.300 0.058 0.000 1.124 554 R HN 0.655 nan 8.270 nan 0.000 0.450 555 A N 2.202 125.085 122.820 0.104 0.000 2.598 555 A HA 0.243 4.561 4.320 -0.004 0.000 0.239 555 A C 1.241 178.863 177.584 0.064 0.000 1.032 555 A CA 1.349 53.438 52.037 0.086 0.000 0.760 555 A CB -0.458 18.586 19.000 0.074 0.000 0.946 555 A HN 1.107 nan 8.150 nan 0.000 0.512 556 G N 1.658 110.493 108.800 0.057 0.000 2.194 556 G HA2 -0.180 3.777 3.960 -0.004 0.000 0.236 556 G HA3 -0.180 3.777 3.960 -0.004 0.000 0.236 556 G C 0.002 174.930 174.900 0.046 0.000 0.987 556 G CA 0.374 45.500 45.100 0.044 0.000 0.635 556 G HN 0.884 nan 8.290 nan 0.000 0.520 557 E N 0.410 120.646 120.200 0.060 0.000 2.266 557 E HA 0.449 4.796 4.350 -0.004 0.000 0.277 557 E C -0.523 176.117 176.600 0.067 0.000 1.018 557 E CA -0.624 55.813 56.400 0.061 0.000 0.840 557 E CB 0.608 30.350 29.700 0.070 0.000 1.082 557 E HN 0.308 nan 8.360 nan 0.000 0.395 558 N N 1.795 120.529 118.700 0.055 0.000 2.437 558 N HA 0.171 4.908 4.740 -0.004 0.000 0.243 558 N C -0.739 174.818 175.510 0.078 0.000 1.041 558 N CA -0.265 52.819 53.050 0.057 0.000 0.940 558 N CB 0.967 39.469 38.487 0.025 0.000 1.133 558 N HN 0.220 nan 8.380 nan 0.000 0.506 559 V N -0.772 119.207 119.914 0.107 0.000 3.164 559 V HA 0.957 5.075 4.120 -0.004 0.000 0.313 559 V C 0.348 176.546 176.094 0.172 0.000 1.188 559 V CA -1.066 61.316 62.300 0.136 0.000 1.058 559 V CB 1.520 33.428 31.823 0.142 0.000 1.110 559 V HN 0.430 nan 8.190 nan 0.000 0.453 560 G N -0.297 108.633 108.800 0.217 0.000 2.530 560 G HA2 0.629 4.587 3.960 -0.004 0.000 0.316 560 G HA3 0.629 4.587 3.960 -0.004 0.000 0.316 560 G C -1.427 173.617 174.900 0.240 0.000 1.298 560 G CA -0.653 44.625 45.100 0.298 0.000 0.948 560 G HN 0.946 nan 8.290 nan 0.000 0.486 561 V N 3.300 123.341 119.914 0.211 0.000 2.409 561 V HA 0.382 4.500 4.120 -0.004 0.000 0.291 561 V C 0.054 176.217 176.094 0.116 0.000 1.020 561 V CA -0.616 61.773 62.300 0.149 0.000 0.848 561 V CB 1.445 33.362 31.823 0.157 0.000 0.990 561 V HN 0.632 nan 8.190 nan 0.000 0.430 562 L N 5.721 126.992 121.223 0.079 0.000 2.305 562 L HA 0.475 4.813 4.340 -0.004 0.000 0.281 562 L C -0.720 176.169 176.870 0.030 0.000 1.085 562 L CA -0.260 54.608 54.840 0.046 0.000 0.813 562 L CB 1.252 43.331 42.059 0.035 0.000 1.157 562 L HN 0.387 nan 8.230 nan 0.000 0.436 563 L N 3.698 124.937 121.223 0.025 0.000 2.301 563 L HA 0.629 4.966 4.340 -0.004 0.000 0.264 563 L C -0.226 176.650 176.870 0.009 0.000 1.016 563 L CA -0.538 54.313 54.840 0.019 0.000 0.821 563 L CB 1.933 44.008 42.059 0.027 0.000 1.346 563 L HN 0.577 nan 8.230 nan 0.000 0.429 564 R N -0.487 120.017 120.500 0.006 0.000 2.686 564 R HA 0.719 5.057 4.340 -0.004 0.000 0.286 564 R C 0.323 176.624 176.300 0.002 0.000 0.969 564 R CA -0.152 55.950 56.100 0.002 0.000 0.898 564 R CB 1.486 31.786 30.300 -0.001 0.000 1.183 564 R HN 0.721 nan 8.270 nan 0.000 0.456 565 G N 1.670 110.470 108.800 0.001 0.000 2.160 565 G HA2 -0.258 3.700 3.960 -0.004 0.000 0.251 565 G HA3 -0.258 3.700 3.960 -0.004 0.000 0.251 565 G C -0.495 174.404 174.900 -0.000 0.000 1.008 565 G CA 0.559 45.659 45.100 -0.000 0.000 0.724 565 G HN 0.618 nan 8.290 nan 0.000 0.514 566 I N 0.497 121.067 120.570 0.001 0.000 2.468 566 I HA 0.518 4.685 4.170 -0.004 0.000 0.285 566 I C 0.217 176.333 176.117 -0.002 0.000 1.039 566 I CA -1.801 59.499 61.300 -0.000 0.000 1.074 566 I CB 0.886 38.887 38.000 0.003 0.000 1.228 566 I HN 0.144 nan 8.210 nan 0.000 0.436 567 K N 5.319 125.716 120.400 -0.006 0.000 2.219 567 K HA 0.222 4.539 4.320 -0.004 0.000 0.258 567 K C 0.754 177.347 176.600 -0.011 0.000 1.008 567 K CA -0.372 55.910 56.287 -0.007 0.000 0.928 567 K CB 0.725 33.220 32.500 -0.009 0.000 0.983 567 K HN 0.597 nan 8.250 nan 0.000 0.484 568 R N 0.939 121.432 120.500 -0.013 0.000 2.313 568 R HA -0.060 4.278 4.340 -0.004 0.000 0.199 568 R C 1.057 177.336 176.300 -0.035 0.000 0.958 568 R CA 1.050 57.137 56.100 -0.022 0.000 1.047 568 R CB 0.070 30.360 30.300 -0.017 0.000 0.955 568 R HN 0.663 nan 8.270 nan 0.000 0.481 569 E N 1.225 121.408 120.200 -0.030 0.000 2.481 569 E HA -0.027 4.320 4.350 -0.004 0.000 0.198 569 E C -0.055 176.523 176.600 -0.037 0.000 1.027 569 E CA 0.186 56.565 56.400 -0.036 0.000 0.900 569 E CB 0.171 29.854 29.700 -0.029 0.000 0.993 569 E HN 0.672 nan 8.360 nan 0.000 0.482 570 E N 1.080 121.261 120.200 -0.033 0.000 2.444 570 E HA 0.315 4.663 4.350 -0.004 0.000 0.191 570 E C 0.291 176.868 176.600 -0.037 0.000 1.041 570 E CA 0.042 56.422 56.400 -0.033 0.000 0.883 570 E CB 0.537 30.223 29.700 -0.024 0.000 1.024 570 E HN 0.269 nan 8.360 nan 0.000 0.470 571 I N 1.004 121.549 120.570 -0.043 0.000 2.769 571 I HA 0.312 4.480 4.170 -0.004 0.000 0.298 571 I C -0.412 175.668 176.117 -0.061 0.000 1.128 571 I CA -0.817 60.456 61.300 -0.046 0.000 1.031 571 I CB 2.434 40.414 38.000 -0.033 0.000 1.235 571 I HN -0.113 nan 8.210 nan 0.000 0.423 572 E N 3.421 123.582 120.200 -0.064 0.000 2.317 572 E HA 0.371 4.719 4.350 -0.004 0.000 0.270 572 E C -0.984 175.579 176.600 -0.062 0.000 0.885 572 E CA -1.080 55.278 56.400 -0.071 0.000 0.760 572 E CB 2.973 32.622 29.700 -0.085 0.000 1.227 572 E HN 0.401 nan 8.360 nan 0.000 0.434 573 R N 0.789 121.253 120.500 -0.060 0.000 2.458 573 R HA 0.141 4.478 4.340 -0.004 0.000 0.303 573 R C 0.485 176.758 176.300 -0.046 0.000 1.013 573 R CA 1.523 57.597 56.100 -0.044 0.000 1.026 573 R CB -0.185 30.095 30.300 -0.033 0.000 0.948 573 R HN 0.880 nan 8.270 nan 0.000 0.417 574 G N 3.069 111.841 108.800 -0.046 0.000 2.813 574 G HA2 -0.192 3.766 3.960 -0.004 0.000 0.194 574 G HA3 -0.192 3.766 3.960 -0.004 0.000 0.194 574 G C -0.345 174.522 174.900 -0.056 0.000 1.010 574 G CA -0.127 44.939 45.100 -0.056 0.000 0.771 574 G HN 0.642 nan 8.290 nan 0.000 0.485 575 Q N 0.805 120.574 119.800 -0.053 0.000 2.180 575 Q HA 0.761 5.099 4.340 -0.004 0.000 0.241 575 Q C 0.245 176.220 176.000 -0.042 0.000 0.970 575 Q CA -0.514 55.256 55.803 -0.054 0.000 0.919 575 Q CB 2.386 31.091 28.738 -0.055 0.000 1.222 575 Q HN 0.843 nan 8.270 nan 0.000 0.482 576 V N -1.638 118.248 119.914 -0.047 0.000 2.975 576 V HA 0.633 4.751 4.120 -0.004 0.000 0.318 576 V C -0.752 175.321 176.094 -0.035 0.000 1.077 576 V CA -1.176 61.091 62.300 -0.054 0.000 1.000 576 V CB 1.481 33.257 31.823 -0.077 0.000 1.066 576 V HN 0.646 nan 8.190 nan 0.000 0.452 577 L N 2.687 123.883 121.223 -0.045 0.000 2.305 577 L HA 0.948 5.285 4.340 -0.004 0.000 0.284 577 L C 0.052 176.887 176.870 -0.058 0.000 1.013 577 L CA -0.004 54.861 54.840 0.042 0.000 0.819 577 L CB 0.600 42.758 42.059 0.165 0.000 1.227 577 L HN 1.300 nan 8.230 nan 0.000 0.417 578 A N 4.223 127.088 122.820 0.075 0.000 2.594 578 A HA 0.531 4.848 4.320 -0.004 0.000 0.291 578 A C -1.083 176.652 177.584 0.252 0.000 1.105 578 A CA -0.864 51.218 52.037 0.075 0.000 0.694 578 A CB 1.085 20.061 19.000 -0.041 0.000 1.291 578 A HN 0.581 nan 8.150 nan 0.000 0.410 579 K N 1.883 122.463 120.400 0.302 0.000 2.447 579 K HA 0.202 4.520 4.320 -0.004 0.000 0.281 579 K C -2.154 174.508 176.600 0.104 0.000 1.031 579 K CA -1.196 55.208 56.287 0.195 0.000 1.019 579 K CB 0.269 32.873 32.500 0.175 0.000 0.918 579 K HN 0.405 nan 8.250 nan 0.000 0.476 580 P HA -0.076 nan 4.420 nan 0.000 0.260 580 P C 0.438 177.759 177.300 0.035 0.000 1.185 580 P CA 1.038 64.165 63.100 0.045 0.000 0.763 580 P CB 0.494 32.214 31.700 0.034 0.000 0.776 581 G N 2.894 111.708 108.800 0.024 0.000 2.199 581 G HA2 -0.307 3.651 3.960 -0.004 0.000 0.254 581 G HA3 -0.307 3.651 3.960 -0.004 0.000 0.254 581 G C 1.176 176.091 174.900 0.025 0.000 0.982 581 G CA 0.562 45.674 45.100 0.020 0.000 0.632 581 G HN 0.448 nan 8.290 nan 0.000 0.529 582 T N -0.304 114.269 114.554 0.031 0.000 2.708 582 T HA 0.184 4.531 4.350 -0.004 0.000 0.266 582 T C 1.042 175.757 174.700 0.024 0.000 1.037 582 T CA 1.630 63.750 62.100 0.033 0.000 1.146 582 T CB 0.086 68.978 68.868 0.041 0.000 0.865 582 T HN 0.719 nan 8.240 nan 0.000 0.435 583 I N 0.424 121.001 120.570 0.013 0.000 2.647 583 I HA 0.434 4.602 4.170 -0.004 0.000 0.295 583 I C -1.439 174.671 176.117 -0.012 0.000 1.078 583 I CA -0.877 60.427 61.300 0.008 0.000 1.048 583 I CB 1.636 39.629 38.000 -0.011 0.000 1.239 583 I HN -0.288 nan 8.210 nan 0.000 0.421 584 K N 7.042 127.437 120.400 -0.009 0.000 2.340 584 K HA 0.616 4.934 4.320 -0.004 0.000 0.244 584 K C -2.754 173.685 176.600 -0.269 0.000 0.973 584 K CA -1.913 54.298 56.287 -0.127 0.000 0.828 584 K CB 1.964 34.388 32.500 -0.127 0.000 1.226 584 K HN 0.322 nan 8.250 nan 0.000 0.437 585 P HA 0.276 nan 4.420 nan 0.000 0.286 585 P C -0.933 176.017 177.300 -0.583 0.000 1.269 585 P CA -0.055 62.834 63.100 -0.351 0.000 0.787 585 P CB 0.897 32.462 31.700 -0.225 0.000 0.920 586 H N 1.399 120.408 119.070 -0.101 0.000 2.851 586 H HA 0.267 4.821 4.556 -0.004 0.000 0.372 586 H C 0.854 176.134 175.328 -0.080 0.000 1.158 586 H CA -0.336 55.669 56.048 -0.072 0.000 1.159 586 H CB 2.372 32.100 29.762 -0.057 0.000 1.757 586 H HN 0.382 nan 8.280 nan 0.000 0.546 587 T N -1.370 113.241 114.554 0.095 0.000 2.969 587 T HA 0.180 4.528 4.350 -0.004 0.000 0.250 587 T C 0.573 175.310 174.700 0.061 0.000 1.021 587 T CA 0.012 62.131 62.100 0.030 0.000 1.003 587 T CB 0.953 69.817 68.868 -0.008 0.000 1.040 587 T HN 0.286 nan 8.240 nan 0.000 0.492 588 K N 0.812 121.272 120.400 0.099 0.000 2.270 588 K HA 0.620 4.938 4.320 -0.004 0.000 0.255 588 K C -1.725 174.963 176.600 0.146 0.000 0.936 588 K CA -1.268 55.041 56.287 0.036 0.000 0.809 588 K CB 1.344 33.836 32.500 -0.012 0.000 1.131 588 K HN 0.389 nan 8.250 nan 0.000 0.427 589 F N 0.625 120.531 119.950 -0.074 0.000 2.654 589 F HA 0.279 4.804 4.527 -0.004 0.000 0.314 589 F C -1.300 174.498 175.800 -0.004 0.000 1.116 589 F CA -1.072 56.900 58.000 -0.046 0.000 1.017 589 F CB 0.910 39.885 39.000 -0.042 0.000 1.285 589 F HN 0.470 nan 8.300 nan 0.000 0.448 590 E N 2.120 122.364 120.200 0.073 0.000 2.200 590 E HA 0.612 4.959 4.350 -0.004 0.000 0.283 590 E C -0.806 175.936 176.600 0.236 0.000 1.015 590 E CA -0.588 55.838 56.400 0.044 0.000 0.819 590 E CB 1.767 31.494 29.700 0.045 0.000 1.081 590 E HN 0.799 nan 8.360 nan 0.000 0.397 591 S N 2.563 118.415 115.700 0.253 0.000 2.745 591 S HA 0.490 4.958 4.470 -0.004 0.000 0.306 591 S C -0.536 174.233 174.600 0.282 0.000 1.137 591 S CA -1.053 57.398 58.200 0.418 0.000 0.900 591 S CB 1.559 65.235 63.200 0.795 0.000 1.176 591 S HN 0.618 nan 8.310 nan 0.000 0.520 592 E N 0.263 120.617 120.200 0.256 0.000 2.199 592 E HA 0.600 4.948 4.350 -0.004 0.000 0.265 592 E C -0.935 175.757 176.600 0.153 0.000 0.882 592 E CA -0.943 55.562 56.400 0.174 0.000 0.759 592 E CB 2.097 31.868 29.700 0.118 0.000 1.148 592 E HN 0.666 nan 8.360 nan 0.000 0.412 593 V N 0.981 120.994 119.914 0.165 0.000 3.074 593 V HA 0.614 4.732 4.120 -0.004 0.000 0.314 593 V C -1.668 174.517 176.094 0.152 0.000 1.117 593 V CA -0.789 61.595 62.300 0.140 0.000 1.014 593 V CB 1.721 33.688 31.823 0.240 0.000 1.057 593 V HN 0.736 nan 8.190 nan 0.000 0.438 594 Y N 5.290 125.590 120.300 0.000 0.000 2.338 594 Y HA 0.692 5.240 4.550 -0.004 0.000 0.328 594 Y C -0.326 175.581 175.900 0.012 0.000 0.965 594 Y CA -1.119 56.978 58.100 -0.005 0.000 1.208 594 Y CB 1.477 39.911 38.460 -0.042 0.000 1.132 594 Y HN 0.990 nan 8.280 nan 0.000 0.469 595 I N 6.390 126.647 120.570 -0.522 0.000 2.371 595 I HA 0.349 4.517 4.170 -0.004 0.000 0.290 595 I C -0.684 174.976 176.117 -0.761 0.000 1.028 595 I CA -0.434 60.613 61.300 -0.422 0.000 1.345 595 I CB 0.682 38.609 38.000 -0.122 0.000 1.407 595 I HN 0.620 nan 8.210 nan 0.000 0.501 596 L N 6.175 127.164 121.223 -0.390 0.000 2.529 596 L HA 0.011 4.348 4.340 -0.004 0.000 0.287 596 L C 1.203 177.970 176.870 -0.171 0.000 1.241 596 L CA 0.165 54.894 54.840 -0.185 0.000 0.857 596 L CB 0.323 42.381 42.059 -0.001 0.000 1.113 596 L HN 0.946 nan 8.230 nan 0.000 0.504 597 S N 2.170 117.844 115.700 -0.044 0.000 2.641 597 S HA 0.098 4.565 4.470 -0.004 0.000 0.261 597 S C 0.903 175.498 174.600 -0.007 0.000 1.257 597 S CA -0.480 57.704 58.200 -0.026 0.000 0.983 597 S CB 1.296 64.517 63.200 0.036 0.000 0.990 597 S HN 0.703 nan 8.310 nan 0.000 0.572 598 K N 0.334 120.732 120.400 -0.003 0.000 2.026 598 K HA -0.163 4.155 4.320 -0.004 0.000 0.208 598 K C 1.324 177.930 176.600 0.011 0.000 1.048 598 K CA 2.031 58.327 56.287 0.015 0.000 0.929 598 K CB -0.676 31.839 32.500 0.025 0.000 0.713 598 K HN 0.680 nan 8.250 nan 0.000 0.439 599 D N 0.862 121.269 120.400 0.012 0.000 2.190 599 D HA -0.149 4.489 4.640 -0.004 0.000 0.200 599 D C 0.671 176.980 176.300 0.015 0.000 0.992 599 D CA 1.306 55.314 54.000 0.012 0.000 0.854 599 D CB 0.009 40.819 40.800 0.016 0.000 0.936 599 D HN 0.418 nan 8.370 nan 0.000 0.462 600 E N -0.560 119.656 120.200 0.027 0.000 2.359 600 E HA 0.303 4.651 4.350 -0.004 0.000 0.187 600 E C 0.871 177.483 176.600 0.019 0.000 1.081 600 E CA 0.119 56.538 56.400 0.032 0.000 0.929 600 E CB 0.228 29.969 29.700 0.068 0.000 1.086 600 E HN 0.231 nan 8.360 nan 0.000 0.462 601 G N 0.818 109.622 108.800 0.006 0.000 2.198 601 G HA2 -0.259 3.698 3.960 -0.004 0.000 0.257 601 G HA3 -0.259 3.698 3.960 -0.004 0.000 0.257 601 G C 0.444 175.344 174.900 -0.001 0.000 1.042 601 G CA -0.085 45.011 45.100 -0.006 0.000 0.791 601 G HN 0.512 nan 8.290 nan 0.000 0.502 602 G N -0.955 107.849 108.800 0.007 0.000 2.782 602 G HA2 0.647 4.605 3.960 -0.004 0.000 0.201 602 G HA3 0.647 4.605 3.960 -0.004 0.000 0.201 602 G C 0.317 175.238 174.900 0.036 0.000 1.374 602 G CA -0.916 44.191 45.100 0.012 0.000 1.039 602 G HN 0.519 nan 8.290 nan 0.000 0.576 603 R N 0.138 120.665 120.500 0.046 0.000 2.590 603 R HA 0.161 4.499 4.340 -0.004 0.000 0.274 603 R C 0.789 177.164 176.300 0.126 0.000 1.061 603 R CA -0.143 56.020 56.100 0.105 0.000 1.081 603 R CB 0.378 30.710 30.300 0.054 0.000 0.984 603 R HN 0.767 nan 8.270 nan 0.000 0.448 604 H N -0.827 118.215 119.070 -0.046 0.000 2.586 604 H HA 0.188 4.741 4.556 -0.004 0.000 0.273 604 H C -0.556 174.713 175.328 -0.097 0.000 0.997 604 H CA -0.340 55.670 56.048 -0.064 0.000 1.177 604 H CB 0.393 30.131 29.762 -0.040 0.000 1.471 604 H HN 0.307 nan 8.280 nan 0.000 0.538 605 T N 3.313 117.684 114.554 -0.305 0.000 2.893 605 T HA 0.386 4.733 4.350 -0.004 0.000 0.293 605 T C -2.888 171.619 174.700 -0.320 0.000 1.027 605 T CA -1.492 60.378 62.100 -0.383 0.000 0.988 605 T CB 3.051 71.670 68.868 -0.415 0.000 1.043 605 T HN 0.020 nan 8.240 nan 0.000 0.461 606 P HA 0.402 nan 4.420 nan 0.000 0.273 606 P C -0.967 175.824 177.300 -0.848 0.000 1.250 606 P CA -0.456 62.231 63.100 -0.688 0.000 0.793 606 P CB 0.453 31.675 31.700 -0.795 0.000 1.011 607 F N -1.724 117.539 119.950 -1.146 0.000 2.640 607 F HA 0.749 5.274 4.527 -0.004 0.000 0.324 607 F C -0.752 173.987 175.800 -1.768 0.000 1.077 607 F CA -1.126 56.057 58.000 -1.362 0.000 0.965 607 F CB 0.512 38.965 39.000 -0.911 0.000 1.351 607 F HN 0.126 nan 8.300 nan 0.000 0.487 608 F N -0.189 119.218 119.950 -0.906 0.000 3.305 608 F HA 0.478 5.002 4.527 -0.004 0.000 0.292 608 F C 1.769 177.577 175.800 0.014 0.000 1.516 608 F CA -0.767 56.882 58.000 -0.586 0.000 1.010 608 F CB 0.028 38.529 39.000 -0.832 0.000 1.738 608 F HN 0.547 nan 8.300 nan 0.000 0.402 609 K N 0.271 120.918 120.400 0.413 0.000 2.063 609 K HA -0.074 4.244 4.320 -0.004 0.000 0.208 609 K C 1.028 177.904 176.600 0.460 0.000 1.048 609 K CA 1.675 58.191 56.287 0.382 0.000 0.928 609 K CB -0.737 31.944 32.500 0.302 0.000 0.713 609 K HN 0.720 nan 8.250 nan 0.000 0.442 610 G N 0.424 109.649 108.800 0.709 0.000 4.294 610 G HA2 0.023 3.981 3.960 -0.004 0.000 0.301 610 G HA3 0.023 3.981 3.960 -0.004 0.000 0.301 610 G C -0.970 174.264 174.900 0.558 0.000 1.321 610 G CA -0.532 44.858 45.100 0.484 0.000 1.190 610 G HN 0.220 nan 8.290 nan 0.000 0.600 611 Y N 1.210 121.779 120.300 0.447 0.000 2.526 611 Y HA 0.339 4.886 4.550 -0.004 0.000 0.330 611 Y C 0.760 176.709 175.900 0.082 0.000 1.156 611 Y CA -0.641 57.587 58.100 0.213 0.000 1.419 611 Y CB 0.591 38.868 38.460 -0.305 0.000 1.250 611 Y HN 0.256 nan 8.280 nan 0.000 0.540 612 R N 8.092 128.396 120.500 -0.326 0.000 2.644 612 R HA 0.317 4.655 4.340 -0.004 0.000 0.271 612 R C -2.814 173.267 176.300 -0.365 0.000 1.687 612 R CA -1.542 54.413 56.100 -0.241 0.000 1.655 612 R CB 0.550 30.808 30.300 -0.071 0.000 1.285 612 R HN 0.480 nan 8.270 nan 0.000 0.643 613 P HA 0.273 nan 4.420 nan 0.000 0.321 613 P C -1.071 176.083 177.300 -0.242 0.000 1.304 613 P CA -0.522 62.256 63.100 -0.538 0.000 0.759 613 P CB 1.092 32.255 31.700 -0.895 0.000 1.385 614 Q N -1.124 118.540 119.800 -0.226 0.000 2.342 614 Q HA 0.556 4.894 4.340 -0.004 0.000 0.267 614 Q C -1.163 174.747 176.000 -0.150 0.000 1.038 614 Q CA -0.157 55.635 55.803 -0.020 0.000 0.832 614 Q CB 1.515 30.296 28.738 0.072 0.000 1.323 614 Q HN 0.284 nan 8.270 nan 0.000 0.448 615 F N 1.365 121.383 119.950 0.113 0.000 2.426 615 F HA 0.308 4.833 4.527 -0.004 0.000 0.348 615 F C -0.674 175.227 175.800 0.168 0.000 1.124 615 F CA -0.960 57.113 58.000 0.121 0.000 1.008 615 F CB 0.845 39.911 39.000 0.110 0.000 1.139 615 F HN 0.485 nan 8.300 nan 0.000 0.452 616 Y N 4.036 124.402 120.300 0.109 0.000 2.404 616 Y HA 0.375 4.923 4.550 -0.004 0.000 0.344 616 Y C -1.103 174.771 175.900 -0.043 0.000 0.995 616 Y CA -0.708 57.447 58.100 0.091 0.000 1.201 616 Y CB 0.249 38.740 38.460 0.052 0.000 1.151 616 Y HN 0.443 nan 8.280 nan 0.000 0.517 617 F N 7.297 127.164 119.950 -0.138 0.000 2.307 617 F HA 0.286 4.811 4.527 -0.004 0.000 0.369 617 F C 0.769 176.475 175.800 -0.155 0.000 1.076 617 F CA -0.650 57.319 58.000 -0.052 0.000 1.149 617 F CB 0.599 39.565 39.000 -0.058 0.000 1.410 617 F HN 0.691 nan 8.300 nan 0.000 0.481 618 R N -0.802 119.756 120.500 0.096 0.000 4.059 618 R HA -0.337 4.001 4.340 -0.004 0.000 0.421 618 R C 0.467 176.804 176.300 0.062 0.000 1.034 618 R CA 2.180 58.352 56.100 0.120 0.000 1.621 618 R CB -1.885 28.473 30.300 0.097 0.000 2.247 618 R HN 0.559 nan 8.270 nan 0.000 0.540 619 T N -1.688 112.692 114.554 -0.289 0.000 3.231 619 T HA 0.127 4.474 4.350 -0.004 0.000 0.269 619 T C -0.619 173.834 174.700 -0.412 0.000 0.849 619 T CA 0.828 62.811 62.100 -0.195 0.000 0.837 619 T CB 0.870 69.714 68.868 -0.040 0.000 1.254 619 T HN 0.441 nan 8.240 nan 0.000 0.640 620 T N 1.215 115.323 114.554 -0.744 0.000 2.889 620 T HA 0.444 4.792 4.350 -0.004 0.000 0.315 620 T C -2.166 172.344 174.700 -0.317 0.000 1.291 620 T CA -0.519 61.341 62.100 -0.399 0.000 1.028 620 T CB 1.642 70.443 68.868 -0.113 0.000 1.235 620 T HN -0.122 nan 8.240 nan 0.000 0.491 621 D N 1.982 122.400 120.400 0.031 0.000 2.383 621 D HA 0.377 5.015 4.640 -0.004 0.000 0.252 621 D C -0.203 176.194 176.300 0.162 0.000 1.166 621 D CA 0.295 54.401 54.000 0.177 0.000 0.879 621 D CB 1.315 42.243 40.800 0.212 0.000 1.164 621 D HN 0.356 nan 8.370 nan 0.000 0.462 622 V N 1.950 122.001 119.914 0.229 0.000 2.540 622 V HA 0.473 4.590 4.120 -0.004 0.000 0.302 622 V C -0.064 176.163 176.094 0.221 0.000 1.035 622 V CA -0.453 61.964 62.300 0.195 0.000 0.873 622 V CB 2.018 33.938 31.823 0.163 0.000 0.992 622 V HN 0.439 nan 8.190 nan 0.000 0.428 623 T N 4.791 119.407 114.554 0.103 0.000 2.904 623 T HA 0.781 5.128 4.350 -0.004 0.000 0.290 623 T C 0.135 174.893 174.700 0.095 0.000 1.018 623 T CA 0.593 62.769 62.100 0.127 0.000 1.075 623 T CB 0.873 69.758 68.868 0.029 0.000 0.986 623 T HN 1.486 nan 8.240 nan 0.000 0.523 624 G N 1.149 110.073 108.800 0.206 0.000 2.646 624 G HA2 0.577 4.534 3.960 -0.004 0.000 0.291 624 G HA3 0.577 4.534 3.960 -0.004 0.000 0.291 624 G C -0.813 174.153 174.900 0.111 0.000 1.445 624 G CA -0.696 44.433 45.100 0.048 0.000 0.814 624 G HN 0.823 nan 8.290 nan 0.000 0.495 625 T N -1.593 112.954 114.554 -0.012 0.000 2.895 625 T HA 0.706 5.053 4.350 -0.004 0.000 0.283 625 T C -0.161 174.546 174.700 0.011 0.000 1.014 625 T CA -0.581 61.533 62.100 0.024 0.000 1.037 625 T CB 1.491 70.362 68.868 0.005 0.000 1.006 625 T HN 1.113 nan 8.240 nan 0.000 0.468 626 I N -0.745 119.884 120.570 0.097 0.000 2.693 626 I HA 0.727 4.895 4.170 -0.004 0.000 0.303 626 I C -0.423 175.762 176.117 0.113 0.000 1.025 626 I CA -1.287 60.072 61.300 0.100 0.000 1.086 626 I CB 1.826 39.960 38.000 0.224 0.000 1.268 626 I HN 0.856 nan 8.210 nan 0.000 0.440 627 E N 4.891 125.136 120.200 0.074 0.000 2.199 627 E HA 0.510 4.857 4.350 -0.004 0.000 0.265 627 E C -1.170 175.489 176.600 0.099 0.000 0.882 627 E CA -1.003 55.451 56.400 0.091 0.000 0.759 627 E CB 1.880 31.610 29.700 0.051 0.000 1.148 627 E HN 0.338 nan 8.360 nan 0.000 0.412 628 L N 3.278 124.575 121.223 0.123 0.000 2.476 628 L HA 0.273 4.611 4.340 -0.004 0.000 0.264 628 L C -1.442 175.472 176.870 0.072 0.000 1.224 628 L CA -1.947 52.957 54.840 0.107 0.000 0.821 628 L CB -0.900 41.222 42.059 0.106 0.000 1.101 628 L HN 0.664 nan 8.230 nan 0.000 0.488 629 P HA 0.089 nan 4.420 nan 0.000 0.289 629 P C -0.464 176.860 177.300 0.040 0.000 1.299 629 P CA -0.660 62.466 63.100 0.044 0.000 0.766 629 P CB 0.494 32.216 31.700 0.037 0.000 1.226 630 E N -0.116 120.104 120.200 0.033 0.000 2.059 630 E HA 0.251 4.598 4.350 -0.004 0.000 0.262 630 E C 1.118 177.734 176.600 0.028 0.000 1.230 630 E CA 0.926 57.345 56.400 0.031 0.000 0.951 630 E CB -0.785 28.931 29.700 0.026 0.000 1.038 630 E HN 0.773 nan 8.360 nan 0.000 0.425 631 G N 2.043 110.865 108.800 0.037 0.000 2.428 631 G HA2 -0.253 3.704 3.960 -0.004 0.000 0.199 631 G HA3 -0.253 3.704 3.960 -0.004 0.000 0.199 631 G C 0.275 175.205 174.900 0.049 0.000 1.005 631 G CA -0.055 45.068 45.100 0.037 0.000 0.671 631 G HN 0.523 nan 8.290 nan 0.000 0.485 632 V N 1.850 121.787 119.914 0.039 0.000 2.834 632 V HA 0.737 4.854 4.120 -0.004 0.000 0.301 632 V C 0.866 177.005 176.094 0.074 0.000 1.066 632 V CA 1.060 63.387 62.300 0.045 0.000 1.052 632 V CB 1.566 33.386 31.823 -0.005 0.000 1.021 632 V HN 0.745 nan 8.190 nan 0.000 0.480 633 E N 4.761 125.019 120.200 0.097 0.000 2.703 633 E HA 0.266 4.613 4.350 -0.004 0.000 0.214 633 E C -0.036 176.633 176.600 0.115 0.000 0.944 633 E CA -0.318 56.145 56.400 0.105 0.000 1.299 633 E CB 0.660 30.424 29.700 0.107 0.000 1.189 633 E HN 0.629 nan 8.360 nan 0.000 0.597 634 M N 1.747 121.364 119.600 0.028 0.000 2.421 634 M HA 0.455 4.932 4.480 -0.004 0.000 0.287 634 M C -2.193 173.919 176.300 -0.313 0.000 1.183 634 M CA -0.849 54.329 55.300 -0.203 0.000 0.916 634 M CB 2.733 35.268 32.600 -0.107 0.000 1.701 634 M HN -0.064 nan 8.290 nan 0.000 0.470 635 V N 4.970 124.398 119.914 -0.810 0.000 2.604 635 V HA 0.577 4.695 4.120 -0.004 0.000 0.305 635 V C -0.424 175.188 176.094 -0.804 0.000 1.043 635 V CA -0.604 61.205 62.300 -0.818 0.000 0.888 635 V CB 2.133 33.116 31.823 -1.400 0.000 0.995 635 V HN 0.914 nan 8.190 nan 0.000 0.429 636 M N 4.906 124.264 119.600 -0.402 0.000 2.508 636 M HA 0.466 4.943 4.480 -0.004 0.000 0.327 636 M C -2.690 173.431 176.300 -0.299 0.000 1.160 636 M CA -1.942 53.138 55.300 -0.366 0.000 0.980 636 M CB 2.148 34.593 32.600 -0.259 0.000 1.693 636 M HN 0.285 nan 8.290 nan 0.000 0.452 637 P HA 0.027 nan 4.420 nan 0.000 0.257 637 P C 0.624 177.821 177.300 -0.172 0.000 1.189 637 P CA 1.145 64.128 63.100 -0.196 0.000 0.780 637 P CB 0.120 31.741 31.700 -0.132 0.000 0.772 638 G N 2.323 110.974 108.800 -0.247 0.000 2.255 638 G HA2 -0.145 3.813 3.960 -0.004 0.000 0.196 638 G HA3 -0.145 3.813 3.960 -0.004 0.000 0.196 638 G C -0.163 174.672 174.900 -0.108 0.000 0.998 638 G CA -0.002 45.002 45.100 -0.161 0.000 0.656 638 G HN 0.648 nan 8.290 nan 0.000 0.490 639 D N 0.748 121.050 120.400 -0.162 0.000 2.332 639 D HA 0.578 5.216 4.640 -0.004 0.000 0.252 639 D C 0.167 176.427 176.300 -0.066 0.000 1.050 639 D CA -0.880 53.086 54.000 -0.058 0.000 0.970 639 D CB 0.517 41.288 40.800 -0.048 0.000 1.141 639 D HN 0.047 nan 8.370 nan 0.000 0.485 640 N N -0.188 118.538 118.700 0.043 0.000 2.434 640 N HA 0.519 5.256 4.740 -0.004 0.000 0.266 640 N C -0.563 174.957 175.510 0.016 0.000 1.223 640 N CA -0.392 52.708 53.050 0.083 0.000 0.972 640 N CB 1.145 39.703 38.487 0.119 0.000 1.207 640 N HN 0.455 nan 8.380 nan 0.000 0.525 641 I N 0.286 120.889 120.570 0.054 0.000 2.739 641 I HA 0.076 4.244 4.170 -0.004 0.000 0.288 641 I C -1.460 174.714 176.117 0.096 0.000 1.582 641 I CA -0.385 60.945 61.300 0.049 0.000 1.035 641 I CB 1.667 39.689 38.000 0.036 0.000 1.432 641 I HN 0.415 nan 8.210 nan 0.000 0.444 642 K N 8.097 128.548 120.400 0.085 0.000 2.263 642 K HA 0.625 4.943 4.320 -0.004 0.000 0.272 642 K C -0.334 176.329 176.600 0.106 0.000 1.033 642 K CA -0.460 55.889 56.287 0.105 0.000 0.884 642 K CB 1.458 34.009 32.500 0.084 0.000 1.107 642 K HN 0.552 nan 8.250 nan 0.000 0.460 643 M N -0.115 119.565 119.600 0.134 0.000 2.591 643 M HA 0.462 4.939 4.480 -0.004 0.000 0.306 643 M C -1.072 175.248 176.300 0.033 0.000 1.190 643 M CA -1.130 54.236 55.300 0.110 0.000 0.889 643 M CB 1.807 34.512 32.600 0.175 0.000 1.728 643 M HN 0.066 nan 8.290 nan 0.000 0.458 644 V N 3.294 123.191 119.914 -0.029 0.000 2.334 644 V HA 0.318 4.435 4.120 -0.004 0.000 0.267 644 V C -0.029 175.901 176.094 -0.274 0.000 1.040 644 V CA -0.569 61.635 62.300 -0.159 0.000 0.866 644 V CB 0.966 32.729 31.823 -0.100 0.000 1.019 644 V HN 0.700 nan 8.190 nan 0.000 0.468 645 V N 4.147 123.683 119.914 -0.630 0.000 2.567 645 V HA 0.520 4.637 4.120 -0.004 0.000 0.289 645 V C 0.466 176.133 176.094 -0.710 0.000 1.049 645 V CA -0.184 61.672 62.300 -0.740 0.000 0.969 645 V CB 1.746 32.849 31.823 -1.200 0.000 0.995 645 V HN 0.885 nan 8.190 nan 0.000 0.471 646 T N 5.830 120.132 114.554 -0.419 0.000 2.906 646 T HA 0.593 4.940 4.350 -0.004 0.000 0.302 646 T C -0.735 173.834 174.700 -0.218 0.000 1.002 646 T CA -0.449 61.493 62.100 -0.262 0.000 0.988 646 T CB 0.257 69.031 68.868 -0.157 0.000 0.972 646 T HN 0.421 nan 8.240 nan 0.000 0.447 647 L N 5.230 126.342 121.223 -0.185 0.000 2.439 647 L HA 0.481 4.819 4.340 -0.004 0.000 0.261 647 L C 1.693 178.470 176.870 -0.156 0.000 1.153 647 L CA -0.866 53.870 54.840 -0.174 0.000 0.808 647 L CB 0.443 42.411 42.059 -0.153 0.000 1.126 647 L HN 0.593 nan 8.230 nan 0.000 0.460 648 I N 0.199 120.635 120.570 -0.224 0.000 2.163 648 I HA -0.111 4.056 4.170 -0.004 0.000 0.240 648 I C 0.601 176.570 176.117 -0.247 0.000 1.081 648 I CA 1.384 62.517 61.300 -0.279 0.000 1.353 648 I CB -0.230 37.527 38.000 -0.406 0.000 1.054 648 I HN 0.708 nan 8.210 nan 0.000 0.407 649 H N -1.808 117.233 119.070 -0.047 0.000 2.821 649 H HA 0.710 5.264 4.556 -0.004 0.000 0.373 649 H C -2.669 172.608 175.328 -0.086 0.000 1.165 649 H CA -3.325 52.688 56.048 -0.058 0.000 1.154 649 H CB -0.487 29.245 29.762 -0.050 0.000 1.765 649 H HN -0.132 nan 8.280 nan 0.000 0.549 650 P HA 0.125 nan 4.420 nan 0.000 0.271 650 P C -0.455 176.789 177.300 -0.094 0.000 1.238 650 P CA -0.139 62.935 63.100 -0.043 0.000 0.794 650 P CB 0.654 32.314 31.700 -0.066 0.000 0.959 651 I N -0.848 119.613 120.570 -0.183 0.000 2.775 651 I HA 0.290 4.458 4.170 -0.004 0.000 0.295 651 I C -0.557 175.419 176.117 -0.235 0.000 1.287 651 I CA -0.987 60.157 61.300 -0.259 0.000 1.029 651 I CB 1.871 39.564 38.000 -0.512 0.000 1.282 651 I HN 0.328 nan 8.210 nan 0.000 0.426 652 A N 8.270 130.985 122.820 -0.176 0.000 2.491 652 A HA 0.619 4.937 4.320 -0.004 0.000 0.261 652 A C -0.059 177.466 177.584 -0.099 0.000 1.101 652 A CA 0.134 52.100 52.037 -0.118 0.000 0.772 652 A CB 0.035 18.983 19.000 -0.086 0.000 1.043 652 A HN 0.728 nan 8.150 nan 0.000 0.501 653 M N 1.357 120.941 119.600 -0.027 0.000 2.562 653 M HA 0.723 5.201 4.480 -0.004 0.000 0.281 653 M C -2.096 174.236 176.300 0.052 0.000 1.195 653 M CA -0.747 54.545 55.300 -0.013 0.000 0.888 653 M CB 1.949 34.469 32.600 -0.133 0.000 1.731 653 M HN 0.450 nan 8.290 nan 0.000 0.493 654 D N 0.796 121.206 120.400 0.018 0.000 2.570 654 D HA 0.413 5.050 4.640 -0.004 0.000 0.244 654 D C -1.575 174.728 176.300 0.005 0.000 1.178 654 D CA 0.174 54.177 54.000 0.005 0.000 0.881 654 D CB 2.004 42.818 40.800 0.024 0.000 1.453 654 D HN 0.750 nan 8.370 nan 0.000 0.447 655 D N 0.348 120.750 120.400 0.004 0.000 2.472 655 D HA 0.331 4.969 4.640 -0.004 0.000 0.237 655 D C 1.094 177.418 176.300 0.040 0.000 1.141 655 D CA 0.637 54.655 54.000 0.030 0.000 0.875 655 D CB 0.824 41.644 40.800 0.034 0.000 1.192 655 D HN 0.706 nan 8.370 nan 0.000 0.450 656 G N 0.623 109.456 108.800 0.055 0.000 2.184 656 G HA2 -0.218 3.739 3.960 -0.004 0.000 0.206 656 G HA3 -0.218 3.739 3.960 -0.004 0.000 0.206 656 G C -0.032 174.898 174.900 0.050 0.000 0.995 656 G CA 0.050 45.178 45.100 0.046 0.000 0.651 656 G HN 0.672 nan 8.290 nan 0.000 0.511 657 L N 2.369 123.637 121.223 0.074 0.000 2.315 657 L HA 0.739 5.076 4.340 -0.004 0.000 0.283 657 L C 0.810 177.755 176.870 0.125 0.000 1.089 657 L CA -0.756 54.148 54.840 0.105 0.000 0.833 657 L CB 0.284 42.427 42.059 0.140 0.000 1.170 657 L HN 0.247 nan 8.230 nan 0.000 0.442 658 R N 4.633 125.164 120.500 0.051 0.000 2.641 658 R HA 0.574 4.912 4.340 -0.004 0.000 0.269 658 R C -0.979 175.308 176.300 -0.022 0.000 1.074 658 R CA 0.211 56.279 56.100 -0.054 0.000 1.133 658 R CB 0.640 30.897 30.300 -0.072 0.000 1.029 658 R HN 0.700 nan 8.270 nan 0.000 0.488 659 F N -1.258 118.608 119.950 -0.140 0.000 2.654 659 F HA 0.681 5.205 4.527 -0.004 0.000 0.308 659 F C -1.249 174.478 175.800 -0.121 0.000 1.108 659 F CA -1.423 56.392 58.000 -0.308 0.000 0.957 659 F CB 1.182 39.678 39.000 -0.839 0.000 1.309 659 F HN 0.495 nan 8.300 nan 0.000 0.446 660 A N 3.144 126.069 122.820 0.175 0.000 2.304 660 A HA 0.759 5.077 4.320 -0.004 0.000 0.301 660 A C -0.638 177.086 177.584 0.233 0.000 1.132 660 A CA -0.773 51.345 52.037 0.135 0.000 0.819 660 A CB 0.526 19.565 19.000 0.065 0.000 1.094 660 A HN 0.774 nan 8.150 nan 0.000 0.492 661 I N 1.706 122.348 120.570 0.120 0.000 2.315 661 I HA 0.416 4.583 4.170 -0.004 0.000 0.291 661 I C 0.438 176.516 176.117 -0.066 0.000 1.006 661 I CA -0.212 61.056 61.300 -0.053 0.000 1.265 661 I CB 1.304 39.282 38.000 -0.036 0.000 1.387 661 I HN 0.732 nan 8.210 nan 0.000 0.475 662 R N 4.168 124.599 120.500 -0.114 0.000 2.854 662 R HA 0.508 4.846 4.340 -0.004 0.000 0.271 662 R C -1.066 175.204 176.300 -0.050 0.000 0.996 662 R CA -0.593 55.485 56.100 -0.038 0.000 0.961 662 R CB 1.806 32.126 30.300 0.034 0.000 1.182 662 R HN 0.556 nan 8.270 nan 0.000 0.479 663 E N 1.145 121.343 120.200 -0.003 0.000 2.621 663 E HA 0.258 4.605 4.350 -0.004 0.000 0.263 663 E C -0.768 175.860 176.600 0.046 0.000 1.033 663 E CA 0.044 56.448 56.400 0.008 0.000 0.778 663 E CB 1.098 30.808 29.700 0.017 0.000 1.426 663 E HN 0.893 nan 8.360 nan 0.000 0.394 664 G N 2.534 111.387 108.800 0.089 0.000 2.356 664 G HA2 -0.258 3.700 3.960 -0.004 0.000 0.296 664 G HA3 -0.258 3.700 3.960 -0.004 0.000 0.296 664 G C 0.916 175.871 174.900 0.092 0.000 1.022 664 G CA 0.629 45.804 45.100 0.126 0.000 0.961 664 G HN 1.307 nan 8.290 nan 0.000 0.510 665 G N -1.376 107.467 108.800 0.071 0.000 2.253 665 G HA2 -0.178 3.779 3.960 -0.004 0.000 0.251 665 G HA3 -0.178 3.779 3.960 -0.004 0.000 0.251 665 G C 0.566 175.469 174.900 0.006 0.000 0.998 665 G CA 0.982 46.107 45.100 0.042 0.000 0.621 665 G HN 1.495 nan 8.290 nan 0.000 0.524 666 R N 1.937 122.445 120.500 0.013 0.000 2.368 666 R HA 0.604 4.942 4.340 -0.004 0.000 0.302 666 R C 0.772 177.067 176.300 -0.009 0.000 1.002 666 R CA 0.339 56.436 56.100 -0.004 0.000 0.929 666 R CB 0.585 30.890 30.300 0.009 0.000 1.073 666 R HN 0.388 nan 8.270 nan 0.000 0.464 667 T N 0.918 115.458 114.554 -0.024 0.000 2.832 667 T HA 0.366 4.713 4.350 -0.004 0.000 0.296 667 T C 0.807 175.506 174.700 -0.001 0.000 0.968 667 T CA -0.217 61.871 62.100 -0.021 0.000 1.107 667 T CB 1.165 70.010 68.868 -0.038 0.000 0.916 667 T HN 0.517 nan 8.240 nan 0.000 0.517 668 V N -0.507 119.412 119.914 0.007 0.000 3.382 668 V HA 0.708 4.825 4.120 -0.004 0.000 0.296 668 V C 0.495 176.591 176.094 0.002 0.000 1.529 668 V CA 0.340 62.649 62.300 0.015 0.000 1.048 668 V CB -0.090 31.761 31.823 0.045 0.000 0.878 668 V HN 1.271 nan 8.190 nan 0.000 0.442 669 G N -0.697 108.112 108.800 0.014 0.000 2.623 669 G HA2 0.857 4.815 3.960 -0.004 0.000 0.290 669 G HA3 0.857 4.815 3.960 -0.004 0.000 0.290 669 G C -1.372 173.551 174.900 0.038 0.000 1.437 669 G CA -0.071 45.043 45.100 0.023 0.000 0.798 669 G HN 1.084 nan 8.290 nan 0.000 0.488 670 A N -1.359 121.482 122.820 0.035 0.000 2.566 670 A HA 1.077 5.394 4.320 -0.004 0.000 0.292 670 A C -0.041 177.416 177.584 -0.212 0.000 1.112 670 A CA -0.033 51.955 52.037 -0.081 0.000 0.707 670 A CB 1.897 20.866 19.000 -0.053 0.000 1.302 670 A HN 2.427 nan 8.150 nan 0.000 0.409 671 G N -1.421 106.987 108.800 -0.652 0.000 2.523 671 G HA2 0.707 4.664 3.960 -0.004 0.000 0.291 671 G HA3 0.707 4.664 3.960 -0.004 0.000 0.291 671 G C -1.188 173.070 174.900 -1.071 0.000 1.450 671 G CA 0.263 44.876 45.100 -0.811 0.000 0.790 671 G HN 2.130 nan 8.290 nan 0.000 0.496 672 V N -1.687 117.976 119.914 -0.418 0.000 2.962 672 V HA 0.875 4.993 4.120 -0.004 0.000 0.313 672 V C 0.293 176.550 176.094 0.272 0.000 1.099 672 V CA -0.761 61.481 62.300 -0.098 0.000 0.971 672 V CB 1.386 33.184 31.823 -0.041 0.000 1.028 672 V HN 1.717 nan 8.190 nan 0.000 0.430 673 V N 1.875 121.975 119.914 0.309 0.000 2.555 673 V HA 0.785 4.903 4.120 -0.004 0.000 0.286 673 V C 1.019 177.238 176.094 0.209 0.000 1.044 673 V CA 0.758 63.240 62.300 0.304 0.000 1.026 673 V CB 0.209 32.075 31.823 0.073 0.000 0.981 673 V HN 1.596 nan 8.190 nan 0.000 0.480 674 A N 3.144 126.107 122.820 0.238 0.000 2.055 674 A HA 0.523 4.841 4.320 -0.004 0.000 0.205 674 A C 0.968 178.619 177.584 0.111 0.000 1.235 674 A CA 0.523 52.650 52.037 0.151 0.000 0.822 674 A CB 0.130 19.219 19.000 0.148 0.000 0.903 674 A HN 0.829 nan 8.150 nan 0.000 0.473 675 K N -0.189 120.290 120.400 0.132 0.000 2.587 675 K HA 0.371 4.688 4.320 -0.004 0.000 0.256 675 K C -1.085 175.564 176.600 0.082 0.000 0.974 675 K CA -0.199 56.133 56.287 0.074 0.000 0.855 675 K CB 1.473 34.007 32.500 0.057 0.000 1.292 675 K HN 0.395 nan 8.250 nan 0.000 0.444 676 V N 3.951 123.860 119.914 -0.008 0.000 2.439 676 V HA 0.464 4.582 4.120 -0.004 0.000 0.271 676 V C -0.001 176.049 176.094 -0.074 0.000 1.040 676 V CA -0.422 61.828 62.300 -0.082 0.000 1.002 676 V CB -0.032 31.551 31.823 -0.400 0.000 1.000 676 V HN 0.625 nan 8.190 nan 0.000 0.477 677 L N 4.220 125.442 121.223 -0.002 0.000 2.439 677 L HA 0.331 4.669 4.340 -0.004 0.000 0.261 677 L C 1.782 178.658 176.870 0.010 0.000 1.153 677 L CA -0.221 54.619 54.840 0.000 0.000 0.808 677 L CB 1.346 43.406 42.059 0.003 0.000 1.126 677 L HN 0.758 nan 8.230 nan 0.000 0.460 678 S N 0.698 116.408 115.700 0.018 0.000 2.442 678 S HA 0.001 4.469 4.470 -0.004 0.000 0.236 678 S C 0.798 175.431 174.600 0.055 0.000 1.007 678 S CA 0.716 58.941 58.200 0.041 0.000 0.965 678 S CB -0.275 62.942 63.200 0.029 0.000 0.773 678 S HN 0.980 nan 8.310 nan 0.000 0.504 679 G N 0.881 109.702 108.800 0.036 0.000 2.892 679 G HA2 0.133 4.091 3.960 -0.004 0.000 0.686 679 G HA3 0.133 4.091 3.960 -0.004 0.000 0.686 679 G C -0.327 174.583 174.900 0.018 0.000 1.244 679 G CA -0.462 44.656 45.100 0.030 0.000 0.947 679 G HN 0.710 nan 8.290 nan 0.000 0.584 701 S N -1.253 114.287 115.700 -0.268 0.000 2.683 701 S HA 0.820 5.288 4.470 -0.004 0.000 0.264 701 S C -1.200 173.331 174.600 -0.115 0.000 1.066 701 S CA 0.211 58.214 58.200 -0.328 0.000 0.846 701 S CB 0.691 63.695 63.200 -0.327 0.000 1.114 701 S HN 1.999 nan 8.310 nan 0.000 0.476 702 R N 0.924 121.408 120.500 -0.027 0.000 2.795 702 R HA 0.783 5.121 4.340 -0.004 0.000 0.268 702 R C 0.151 176.470 176.300 0.032 0.000 1.041 702 R CA 0.074 56.184 56.100 0.016 0.000 0.927 702 R CB -0.443 29.888 30.300 0.051 0.000 1.235 702 R HN 0.725 nan 8.270 nan 0.000 0.463 703 N N 0.080 118.795 118.700 0.025 0.000 2.242 703 N HA -0.109 4.629 4.740 -0.004 0.000 0.198 703 N C 1.335 176.864 175.510 0.031 0.000 1.042 703 N CA 2.383 55.448 53.050 0.024 0.000 0.964 703 N CB -0.081 38.415 38.487 0.014 0.000 1.156 703 N HN 0.763 nan 8.380 nan 0.000 0.503 704 S N 0.593 116.310 115.700 0.028 0.000 3.110 704 S HA 0.066 4.533 4.470 -0.004 0.000 0.253 704 S C 1.155 175.778 174.600 0.038 0.000 1.074 704 S CA -0.072 58.143 58.200 0.026 0.000 1.201 704 S CB -0.492 62.722 63.200 0.023 0.000 0.889 704 S HN 0.389 nan 8.310 nan 0.000 0.490 705 L N 0.125 121.378 121.223 0.051 0.000 2.738 705 L HA 0.204 4.541 4.340 -0.004 0.000 0.175 705 L C 2.071 178.954 176.870 0.023 0.000 1.125 705 L CA 0.774 55.653 54.840 0.065 0.000 0.857 705 L CB -0.837 41.306 42.059 0.139 0.000 1.300 705 L HN 0.399 nan 8.230 nan 0.000 0.499 706 S N 1.081 116.835 115.700 0.090 0.000 2.370 706 S HA -0.156 4.312 4.470 -0.004 0.000 0.226 706 S C 1.961 176.560 174.600 -0.003 0.000 1.033 706 S CA 1.455 59.694 58.200 0.064 0.000 1.011 706 S CB -0.346 62.955 63.200 0.168 0.000 0.852 706 S HN 0.540 nan 8.310 nan 0.000 0.457 707 A N 0.901 123.727 122.820 0.011 0.000 1.969 707 A HA -0.092 4.226 4.320 -0.004 0.000 0.218 707 A C 2.105 179.674 177.584 -0.025 0.000 1.169 707 A CA 1.290 53.324 52.037 -0.005 0.000 0.635 707 A CB -0.548 18.455 19.000 0.005 0.000 0.810 707 A HN 0.504 nan 8.150 nan 0.000 0.445 708 Q N -0.690 119.092 119.800 -0.030 0.000 2.119 708 Q HA -0.037 4.300 4.340 -0.004 0.000 0.201 708 Q C 1.904 177.847 176.000 -0.095 0.000 0.972 708 Q CA 1.230 57.006 55.803 -0.045 0.000 0.847 708 Q CB -0.161 28.563 28.738 -0.024 0.000 0.903 708 Q HN 0.700 nan 8.270 nan 0.000 0.433 709 L N -0.298 120.837 121.223 -0.147 0.000 2.131 709 L HA -0.097 4.240 4.340 -0.004 0.000 0.206 709 L C 2.614 179.403 176.870 -0.134 0.000 1.087 709 L CA 0.617 55.334 54.840 -0.204 0.000 0.767 709 L CB -0.362 41.516 42.059 -0.303 0.000 0.917 709 L HN 0.119 nan 8.230 nan 0.000 0.441 710 R N 0.650 121.096 120.500 -0.089 0.000 2.091 710 R HA -0.205 4.132 4.340 -0.004 0.000 0.238 710 R C 2.383 178.656 176.300 -0.044 0.000 1.136 710 R CA 1.754 57.825 56.100 -0.048 0.000 0.959 710 R CB -0.325 29.960 30.300 -0.025 0.000 0.856 710 R HN 0.295 nan 8.270 nan 0.000 0.437 711 R N -0.189 120.282 120.500 -0.048 0.000 2.081 711 R HA -0.095 4.243 4.340 -0.004 0.000 0.235 711 R C 2.104 178.372 176.300 -0.052 0.000 1.131 711 R CA 1.513 57.588 56.100 -0.040 0.000 0.960 711 R CB -0.213 30.066 30.300 -0.034 0.000 0.856 711 R HN 0.244 nan 8.270 nan 0.000 0.436 712 A N 0.817 123.591 122.820 -0.076 0.000 1.855 712 A HA -0.060 4.257 4.320 -0.004 0.000 0.215 712 A C 2.392 179.903 177.584 -0.122 0.000 1.191 712 A CA 1.526 53.508 52.037 -0.091 0.000 0.613 712 A CB -0.916 18.021 19.000 -0.106 0.000 0.829 712 A HN 0.513 nan 8.150 nan 0.000 0.442 713 A N 0.225 122.957 122.820 -0.146 0.000 1.927 713 A HA -0.266 4.051 4.320 -0.004 0.000 0.220 713 A C 1.755 179.191 177.584 -0.248 0.000 1.185 713 A CA 2.127 54.023 52.037 -0.235 0.000 0.639 713 A CB -0.823 18.078 19.000 -0.165 0.000 0.820 713 A HN 0.671 nan 8.150 nan 0.000 0.451 714 N N -1.418 117.243 118.700 -0.065 0.000 2.398 714 N HA 0.079 4.817 4.740 -0.004 0.000 0.188 714 N C 0.521 176.034 175.510 0.006 0.000 1.122 714 N CA 0.298 53.377 53.050 0.047 0.000 0.866 714 N CB 0.099 38.634 38.487 0.080 0.000 0.970 714 N HN 0.374 nan 8.380 nan 0.000 0.462 715 T N 0.322 114.846 114.554 -0.049 0.000 2.726 715 T HA 0.140 4.487 4.350 -0.004 0.000 0.294 715 T C 0.047 174.726 174.700 -0.035 0.000 1.013 715 T CA -0.184 61.894 62.100 -0.038 0.000 0.996 715 T CB 0.503 69.342 68.868 -0.049 0.000 1.016 715 T HN 0.100 nan 8.240 nan 0.000 0.529 716 R N 2.832 123.321 120.500 -0.019 0.000 2.358 716 R HA 0.339 4.677 4.340 -0.004 0.000 0.309 716 R C -0.109 176.183 176.300 -0.012 0.000 1.026 716 R CA -0.732 55.362 56.100 -0.009 0.000 0.909 716 R CB 0.306 30.614 30.300 0.013 0.000 1.153 716 R HN 0.589 nan 8.270 nan 0.000 0.515 717 I N 5.105 125.663 120.570 -0.021 0.000 2.828 717 I HA -0.055 4.113 4.170 -0.004 0.000 0.292 717 I C -0.530 175.591 176.117 0.008 0.000 1.206 717 I CA 1.117 62.411 61.300 -0.010 0.000 1.420 717 I CB -0.022 37.972 38.000 -0.010 0.000 1.368 717 I HN 0.871 nan 8.210 nan 0.000 0.556 718 E N 7.677 127.882 120.200 0.008 0.000 2.293 718 E HA 0.760 5.107 4.350 -0.004 0.000 0.270 718 E C -1.362 175.249 176.600 0.018 0.000 0.879 718 E CA -0.847 55.562 56.400 0.016 0.000 0.756 718 E CB 2.163 31.870 29.700 0.011 0.000 1.208 718 E HN 0.424 nan 8.360 nan 0.000 0.428 719 V N -1.442 118.489 119.914 0.029 0.000 3.203 719 V HA 0.458 4.576 4.120 -0.004 0.000 0.305 719 V C -1.036 175.079 176.094 0.035 0.000 1.361 719 V CA -1.371 60.948 62.300 0.032 0.000 1.066 719 V CB 1.575 33.429 31.823 0.052 0.000 1.085 719 V HN 0.813 nan 8.190 nan 0.000 0.456 720 E N 1.250 121.472 120.200 0.035 0.000 2.227 720 E HA 0.636 4.983 4.350 -0.004 0.000 0.282 720 E C 0.512 177.139 176.600 0.046 0.000 1.015 720 E CA 0.098 56.519 56.400 0.035 0.000 0.823 720 E CB 1.346 31.062 29.700 0.026 0.000 1.081 720 E HN 1.706 nan 8.360 nan 0.000 0.396 721 G N 3.700 112.528 108.800 0.046 0.000 2.498 721 G HA2 -0.293 3.665 3.960 -0.004 0.000 0.251 721 G HA3 -0.293 3.665 3.960 -0.004 0.000 0.251 721 G C -0.339 174.599 174.900 0.063 0.000 1.170 721 G CA -0.130 45.002 45.100 0.053 0.000 0.944 721 G HN 0.607 nan 8.290 nan 0.000 0.567 722 N N 1.300 120.035 118.700 0.058 0.000 2.589 722 N HA 0.379 5.117 4.740 -0.004 0.000 0.232 722 N C 1.336 176.854 175.510 0.014 0.000 1.015 722 N CA -0.206 52.872 53.050 0.046 0.000 0.931 722 N CB 1.162 39.667 38.487 0.030 0.000 1.150 722 N HN 0.634 nan 8.380 nan 0.000 0.512 723 L N 5.041 126.286 121.223 0.035 0.000 2.017 723 L HA -0.038 4.299 4.340 -0.004 0.000 0.208 723 L C 2.007 178.839 176.870 -0.064 0.000 1.073 723 L CA 2.074 56.934 54.840 0.034 0.000 0.745 723 L CB -0.881 41.219 42.059 0.069 0.000 0.894 723 L HN 0.559 nan 8.230 nan 0.000 0.432 724 A N -0.283 122.476 122.820 -0.101 0.000 1.849 724 A HA -0.276 4.042 4.320 -0.004 0.000 0.217 724 A C 2.278 179.723 177.584 -0.233 0.000 1.202 724 A CA 2.274 54.189 52.037 -0.203 0.000 0.629 724 A CB -1.369 17.418 19.000 -0.355 0.000 0.834 724 A HN 0.511 nan 8.150 nan 0.000 0.447 725 L N 0.060 121.134 121.223 -0.249 0.000 2.081 725 L HA -0.143 4.195 4.340 -0.004 0.000 0.212 725 L C 2.459 179.293 176.870 -0.059 0.000 1.080 725 L CA 2.608 57.365 54.840 -0.138 0.000 0.754 725 L CB -0.766 41.240 42.059 -0.087 0.000 0.893 725 L HN 0.319 nan 8.230 nan 0.000 0.433 726 S N -0.507 115.162 115.700 -0.053 0.000 2.368 726 S HA -0.077 4.391 4.470 -0.004 0.000 0.224 726 S C 1.925 176.476 174.600 -0.081 0.000 1.029 726 S CA 1.486 59.690 58.200 0.007 0.000 0.988 726 S CB -0.300 62.965 63.200 0.110 0.000 0.838 726 S HN 0.480 nan 8.310 nan 0.000 0.462 727 I N 1.795 122.173 120.570 -0.321 0.000 2.099 727 I HA -0.259 3.908 4.170 -0.004 0.000 0.239 727 I C 2.809 178.791 176.117 -0.226 0.000 1.066 727 I CA 1.233 62.203 61.300 -0.550 0.000 1.324 727 I CB -0.806 36.833 38.000 -0.600 0.000 1.037 727 I HN 0.268 nan 8.210 nan 0.000 0.401 728 A N 1.047 123.768 122.820 -0.164 0.000 1.915 728 A HA -0.332 3.985 4.320 -0.004 0.000 0.220 728 A C 2.046 179.577 177.584 -0.088 0.000 1.198 728 A CA 2.750 54.722 52.037 -0.109 0.000 0.647 728 A CB -1.413 17.572 19.000 -0.025 0.000 0.825 728 A HN 0.574 nan 8.150 nan 0.000 0.456 729 N N -0.613 118.062 118.700 -0.042 0.000 2.166 729 N HA -0.144 4.594 4.740 -0.004 0.000 0.186 729 N C 0.888 176.371 175.510 -0.046 0.000 1.019 729 N CA 1.148 54.158 53.050 -0.067 0.000 0.856 729 N CB -0.186 38.293 38.487 -0.014 0.000 0.993 729 N HN 0.452 nan 8.380 nan 0.000 0.426 730 D N 0.442 120.846 120.400 0.007 0.000 2.269 730 D HA -0.070 4.568 4.640 -0.004 0.000 0.208 730 D C 1.765 178.110 176.300 0.075 0.000 0.963 730 D CA 0.334 54.374 54.000 0.068 0.000 0.864 730 D CB -0.050 40.861 40.800 0.185 0.000 0.936 730 D HN 0.144 nan 8.370 nan 0.000 0.505 731 L N 0.400 121.647 121.223 0.039 0.000 2.095 731 L HA 0.012 4.350 4.340 -0.004 0.000 0.204 731 L C 2.119 179.055 176.870 0.109 0.000 1.080 731 L CA 1.119 56.021 54.840 0.103 0.000 0.759 731 L CB -0.475 41.587 42.059 0.005 0.000 0.914 731 L HN -0.001 nan 8.230 nan 0.000 0.439 732 L N -1.599 119.583 121.223 -0.068 0.000 2.079 732 L HA -0.244 4.094 4.340 -0.004 0.000 0.210 732 L C 2.421 179.283 176.870 -0.014 0.000 1.081 732 L CA 0.737 55.503 54.840 -0.123 0.000 0.752 732 L CB -0.688 41.171 42.059 -0.333 0.000 0.896 732 L HN 0.275 nan 8.230 nan 0.000 0.433 733 L N 0.220 121.438 121.223 -0.009 0.000 2.056 733 L HA -0.081 4.257 4.340 -0.004 0.000 0.207 733 L C 2.644 179.540 176.870 0.043 0.000 1.078 733 L CA 1.904 56.746 54.840 0.003 0.000 0.749 733 L CB -1.026 41.034 42.059 0.000 0.000 0.901 733 L HN 0.152 nan 8.230 nan 0.000 0.433 734 A N -2.629 120.245 122.820 0.090 0.000 2.216 734 A HA -0.151 4.167 4.320 -0.004 0.000 0.214 734 A C 1.114 178.666 177.584 -0.054 0.000 1.160 734 A CA 0.903 52.963 52.037 0.040 0.000 0.725 734 A CB -0.719 18.326 19.000 0.075 0.000 0.784 734 A HN 0.522 nan 8.150 nan 0.000 0.472 735 Y N -1.209 119.099 120.300 0.015 0.000 2.716 735 Y HA 0.385 4.933 4.550 -0.004 0.000 0.260 735 Y C 1.518 177.411 175.900 -0.012 0.000 1.141 735 Y CA 0.008 58.120 58.100 0.020 0.000 1.168 735 Y CB 0.362 38.844 38.460 0.037 0.000 1.189 735 Y HN 0.359 nan 8.280 nan 0.000 0.549 736 G N 0.610 109.454 108.800 0.074 0.000 2.203 736 G HA2 -0.253 3.705 3.960 -0.004 0.000 0.263 736 G HA3 -0.253 3.705 3.960 -0.004 0.000 0.263 736 G C -0.115 174.789 174.900 0.006 0.000 1.012 736 G CA 0.026 45.143 45.100 0.029 0.000 0.749 736 G HN 0.280 nan 8.290 nan 0.000 0.512 737 Q N 0.437 120.227 119.800 -0.018 0.000 2.274 737 Q HA 0.530 4.868 4.340 -0.004 0.000 0.260 737 Q C 0.554 176.466 176.000 -0.146 0.000 0.974 737 Q CA -0.021 55.730 55.803 -0.088 0.000 0.876 737 Q CB 1.729 30.380 28.738 -0.144 0.000 1.297 737 Q HN 0.693 nan 8.270 nan 0.000 0.446 738 S N 2.508 118.117 115.700 -0.151 0.000 2.546 738 S HA 0.188 4.655 4.470 -0.004 0.000 0.290 738 S C -1.925 172.494 174.600 -0.302 0.000 1.290 738 S CA -0.826 57.273 58.200 -0.168 0.000 1.069 738 S CB -0.220 62.907 63.200 -0.121 0.000 0.846 738 S HN 0.371 nan 8.310 nan 0.000 0.495 739 P HA 0.217 nan 4.420 nan 0.000 0.274 739 P C -0.565 176.517 177.300 -0.363 0.000 1.260 739 P CA -0.650 62.238 63.100 -0.353 0.000 0.793 739 P CB 0.306 31.907 31.700 -0.166 0.000 1.048 740 F N 0.805 120.654 119.950 -0.169 0.000 2.506 740 F HA 0.059 4.583 4.527 -0.004 0.000 0.371 740 F C 2.242 177.977 175.800 -0.109 0.000 1.078 740 F CA -0.162 57.739 58.000 -0.165 0.000 1.195 740 F CB -0.173 38.716 39.000 -0.184 0.000 1.099 740 F HN 0.311 nan 8.300 nan 0.000 0.548 741 N N 1.546 120.298 118.700 0.086 0.000 2.058 741 N HA -0.127 4.610 4.740 -0.004 0.000 0.191 741 N C 0.365 175.893 175.510 0.029 0.000 1.037 741 N CA 1.115 54.188 53.050 0.039 0.000 0.848 741 N CB -0.140 38.362 38.487 0.025 0.000 1.021 741 N HN 0.528 nan 8.380 nan 0.000 0.422 742 S N -0.807 114.900 115.700 0.012 0.000 2.704 742 S HA 0.310 4.778 4.470 -0.004 0.000 0.296 742 S C 0.406 174.925 174.600 -0.135 0.000 1.138 742 S CA -0.924 57.252 58.200 -0.041 0.000 0.875 742 S CB 2.463 65.636 63.200 -0.045 0.000 1.151 742 S HN 0.101 nan 8.310 nan 0.000 0.500 743 E N 0.562 120.642 120.200 -0.200 0.000 2.153 743 E HA -0.128 4.220 4.350 -0.004 0.000 0.194 743 E C 2.212 178.470 176.600 -0.570 0.000 0.988 743 E CA 1.133 57.252 56.400 -0.467 0.000 0.811 743 E CB -0.458 29.010 29.700 -0.387 0.000 0.746 743 E HN 0.729 nan 8.360 nan 0.000 0.466 744 A N 1.607 124.241 122.820 -0.310 0.000 1.948 744 A HA -0.290 4.027 4.320 -0.004 0.000 0.220 744 A C 2.050 179.509 177.584 -0.207 0.000 1.177 744 A CA 1.775 53.676 52.037 -0.226 0.000 0.636 744 A CB -0.432 18.503 19.000 -0.108 0.000 0.815 744 A HN 0.258 nan 8.150 nan 0.000 0.449 745 E N -0.952 119.144 120.200 -0.174 0.000 2.371 745 E HA -0.090 4.257 4.350 -0.004 0.000 0.194 745 E C 1.629 178.105 176.600 -0.207 0.000 1.012 745 E CA 0.679 57.042 56.400 -0.063 0.000 0.860 745 E CB -0.224 29.537 29.700 0.101 0.000 0.811 745 E HN 0.649 nan 8.360 nan 0.000 0.502 746 C N 0.621 119.548 119.300 -0.623 0.000 2.403 746 C HA -0.129 4.329 4.460 -0.004 0.000 0.282 746 C C 2.274 177.003 174.990 -0.435 0.000 1.297 746 C CA 0.939 59.346 59.018 -1.018 0.000 1.785 746 C CB -0.973 26.195 27.740 -0.953 0.000 1.963 746 C HN 0.603 nan 8.230 nan 0.000 0.507 747 I N -1.987 118.437 120.570 -0.244 0.000 4.439 747 I HA 0.204 4.372 4.170 -0.004 0.000 0.331 747 I C 1.051 177.172 176.117 0.008 0.000 1.345 747 I CA 0.366 61.622 61.300 -0.074 0.000 1.193 747 I CB -0.247 37.713 38.000 -0.067 0.000 1.221 747 I HN 0.133 nan 8.210 nan 0.000 0.429 748 S N 0.575 116.289 115.700 0.023 0.000 2.526 748 S HA 0.398 4.866 4.470 -0.004 0.000 0.245 748 S C -0.433 174.260 174.600 0.154 0.000 1.103 748 S CA -0.544 57.696 58.200 0.066 0.000 1.095 748 S CB -0.689 62.530 63.200 0.032 0.000 0.826 748 S HN 0.407 nan 8.310 nan 0.000 0.468 749 F N 2.386 122.351 119.950 0.025 0.000 2.496 749 F HA 0.629 5.154 4.527 -0.004 0.000 0.341 749 F C -0.652 175.177 175.800 0.047 0.000 1.134 749 F CA -0.492 57.538 58.000 0.050 0.000 0.968 749 F CB 1.471 40.535 39.000 0.107 0.000 1.205 749 F HN 0.117 nan 8.300 nan 0.000 0.436 750 S N 7.128 122.483 115.700 -0.575 0.000 2.525 750 S HA 0.551 5.018 4.470 -0.004 0.000 0.278 750 S C -2.518 171.593 174.600 -0.815 0.000 1.234 750 S CA -1.146 56.785 58.200 -0.449 0.000 1.058 750 S CB 1.017 64.122 63.200 -0.158 0.000 0.983 750 S HN 0.457 nan 8.310 nan 0.000 0.495 751 P HA 0.359 nan 4.420 nan 0.000 0.276 751 P C -0.611 176.505 177.300 -0.306 0.000 1.261 751 P CA -0.721 62.103 63.100 -0.460 0.000 0.800 751 P CB 0.575 32.000 31.700 -0.458 0.000 1.066 752 R N 0.430 120.817 120.500 -0.188 0.000 2.265 752 R HA 0.332 4.669 4.340 -0.004 0.000 0.319 752 R C -0.288 176.037 176.300 0.042 0.000 1.006 752 R CA -0.350 55.747 56.100 -0.005 0.000 0.880 752 R CB 0.219 30.548 30.300 0.049 0.000 1.077 752 R HN 0.429 nan 8.270 nan 0.000 0.454 753 F N 2.605 122.673 119.950 0.197 0.000 2.949 753 F HA 0.082 4.606 4.527 -0.004 0.000 0.291 753 F C 0.332 176.216 175.800 0.141 0.000 1.214 753 F CA -0.230 57.862 58.000 0.152 0.000 1.381 753 F CB -0.276 38.762 39.000 0.063 0.000 1.066 753 F HN 0.562 nan 8.300 nan 0.000 0.520 754 D N -1.866 118.693 120.400 0.265 0.000 2.898 754 D HA 0.707 5.345 4.640 -0.004 0.000 0.266 754 D C 0.495 176.908 176.300 0.189 0.000 1.173 754 D CA -0.461 53.674 54.000 0.224 0.000 1.078 754 D CB 0.102 40.995 40.800 0.155 0.000 1.326 754 D HN 0.193 nan 8.370 nan 0.000 0.622 755 G N -0.858 108.027 108.800 0.142 0.000 2.880 755 G HA2 0.191 4.149 3.960 -0.004 0.000 0.617 755 G HA3 0.191 4.149 3.960 -0.004 0.000 0.617 755 G C 0.329 175.292 174.900 0.103 0.000 1.493 755 G CA -0.055 45.106 45.100 0.102 0.000 0.916 755 G HN 1.290 nan 8.290 nan 0.000 0.553 756 T N -0.617 113.983 114.554 0.076 0.000 2.734 756 T HA 0.496 4.844 4.350 -0.004 0.000 0.314 756 T C -0.291 174.419 174.700 0.018 0.000 1.057 756 T CA -0.012 62.139 62.100 0.085 0.000 1.047 756 T CB 1.306 70.213 68.868 0.064 0.000 0.991 756 T HN 0.516 nan 8.240 nan 0.000 0.540 757 P HA -0.114 nan 4.420 nan 0.000 0.218 757 P C 1.201 178.491 177.300 -0.017 0.000 1.148 757 P CA 1.230 64.332 63.100 0.002 0.000 0.822 757 P CB -0.016 31.792 31.700 0.181 0.000 0.784 758 D N -0.114 120.296 120.400 0.017 0.000 2.162 758 D HA -0.137 4.500 4.640 -0.004 0.000 0.203 758 D C 1.206 177.524 176.300 0.029 0.000 0.967 758 D CA 0.850 54.864 54.000 0.023 0.000 0.840 758 D CB -0.146 40.679 40.800 0.042 0.000 0.972 758 D HN -0.037 nan 8.370 nan 0.000 0.482 759 D N -0.369 120.047 120.400 0.027 0.000 2.264 759 D HA -0.110 4.527 4.640 -0.004 0.000 0.208 759 D C 1.611 177.904 176.300 -0.010 0.000 0.966 759 D CA 0.339 54.356 54.000 0.027 0.000 0.864 759 D CB -0.241 40.582 40.800 0.038 0.000 0.933 759 D HN 0.324 nan 8.370 nan 0.000 0.499 760 F N 1.052 120.860 119.950 -0.237 0.000 2.317 760 F HA 0.085 4.610 4.527 -0.004 0.000 0.293 760 F C 2.370 178.051 175.800 -0.199 0.000 1.085 760 F CA 0.409 58.199 58.000 -0.350 0.000 1.390 760 F CB 0.128 38.615 39.000 -0.855 0.000 1.077 760 F HN -0.295 nan 8.300 nan 0.000 0.517 761 R N 0.312 120.754 120.500 -0.095 0.000 2.103 761 R HA -0.194 4.144 4.340 -0.004 0.000 0.242 761 R C 2.156 178.455 176.300 -0.002 0.000 1.142 761 R CA 1.807 57.894 56.100 -0.022 0.000 0.960 761 R CB -0.494 29.795 30.300 -0.019 0.000 0.858 761 R HN 0.328 nan 8.270 nan 0.000 0.439 762 I N 1.219 121.758 120.570 -0.051 0.000 2.406 762 I HA -0.179 3.988 4.170 -0.004 0.000 0.249 762 I C 1.650 177.637 176.117 -0.217 0.000 1.122 762 I CA 1.237 62.470 61.300 -0.111 0.000 1.431 762 I CB -0.958 36.917 38.000 -0.207 0.000 1.087 762 I HN 0.220 nan 8.210 nan 0.000 0.424 763 N N -0.093 118.456 118.700 -0.252 0.000 2.223 763 N HA -0.269 4.469 4.740 -0.004 0.000 0.185 763 N C 1.900 177.259 175.510 -0.252 0.000 1.016 763 N CA 1.321 54.236 53.050 -0.225 0.000 0.863 763 N CB -0.231 38.108 38.487 -0.246 0.000 0.983 763 N HN 0.284 nan 8.380 nan 0.000 0.429 764 Y N 0.402 120.287 120.300 -0.691 0.000 2.176 764 Y HA 0.039 4.587 4.550 -0.004 0.000 0.291 764 Y C 1.999 177.682 175.900 -0.361 0.000 1.122 764 Y CA 0.786 58.495 58.100 -0.653 0.000 1.128 764 Y CB -0.951 36.995 38.460 -0.857 0.000 1.005 764 Y HN 0.114 nan 8.280 nan 0.000 0.509 765 L N 1.517 122.526 121.223 -0.357 0.000 2.051 765 L HA -0.251 4.086 4.340 -0.004 0.000 0.214 765 L C 2.421 178.976 176.870 -0.525 0.000 1.076 765 L CA 2.591 57.100 54.840 -0.552 0.000 0.758 765 L CB -1.067 40.634 42.059 -0.598 0.000 0.890 765 L HN 0.313 nan 8.230 nan 0.000 0.433 766 K N -0.668 119.503 120.400 -0.382 0.000 2.113 766 K HA -0.181 4.136 4.320 -0.004 0.000 0.208 766 K C 1.849 178.387 176.600 -0.104 0.000 1.047 766 K CA 1.610 57.704 56.287 -0.321 0.000 0.928 766 K CB -0.300 31.913 32.500 -0.478 0.000 0.716 766 K HN 0.468 nan 8.250 nan 0.000 0.446 767 A N 0.338 123.165 122.820 0.011 0.000 2.067 767 A HA -0.027 4.290 4.320 -0.004 0.000 0.217 767 A C 1.621 179.186 177.584 -0.033 0.000 1.156 767 A CA 0.949 53.126 52.037 0.234 0.000 0.683 767 A CB -0.074 19.072 19.000 0.243 0.000 0.808 767 A HN 0.322 nan 8.150 nan 0.000 0.455 768 E N -0.709 119.307 120.200 -0.306 0.000 2.206 768 E HA 0.102 4.449 4.350 -0.004 0.000 0.195 768 E C 1.882 178.260 176.600 -0.370 0.000 0.935 768 E CA 0.063 56.270 56.400 -0.321 0.000 0.875 768 E CB -0.401 28.927 29.700 -0.621 0.000 0.841 768 E HN 0.562 nan 8.360 nan 0.000 0.477 769 I N 0.711 120.929 120.570 -0.587 0.000 2.236 769 I HA -0.256 3.912 4.170 -0.004 0.000 0.249 769 I C 1.265 177.198 176.117 -0.307 0.000 1.102 769 I CA 1.196 62.100 61.300 -0.661 0.000 1.365 769 I CB 0.181 37.715 38.000 -0.777 0.000 1.051 769 I HN 0.048 nan 8.210 nan 0.000 0.420 770 M N -0.563 118.923 119.600 -0.189 0.000 2.405 770 M HA 0.088 4.566 4.480 -0.004 0.000 0.292 770 M C 1.913 178.267 176.300 0.089 0.000 1.111 770 M CA 0.324 55.572 55.300 -0.086 0.000 0.979 770 M CB -0.268 32.189 32.600 -0.239 0.000 1.426 770 M HN 0.241 nan 8.290 nan 0.000 0.509 771 S N 0.039 115.800 115.700 0.101 0.000 2.489 771 S HA 0.014 4.481 4.470 -0.004 0.000 0.228 771 S C 1.275 175.971 174.600 0.160 0.000 0.995 771 S CA 0.490 58.773 58.200 0.138 0.000 0.934 771 S CB -0.090 63.192 63.200 0.137 0.000 0.771 771 S HN 0.482 nan 8.310 nan 0.000 0.522 772 K N 0.213 120.701 120.400 0.146 0.000 2.455 772 K HA 0.199 4.516 4.320 -0.004 0.000 0.206 772 K C -0.809 175.798 176.600 0.010 0.000 1.027 772 K CA -0.452 55.858 56.287 0.039 0.000 1.113 772 K CB 0.140 32.586 32.500 -0.090 0.000 0.850 772 K HN 0.407 nan 8.250 nan 0.000 0.503 773 Y N 3.721 123.953 120.300 -0.113 0.000 2.587 773 Y HA -0.047 4.501 4.550 -0.004 0.000 0.344 773 Y C 0.689 176.338 175.900 -0.418 0.000 1.061 773 Y CA -0.883 57.001 58.100 -0.359 0.000 1.370 773 Y CB 0.253 38.323 38.460 -0.650 0.000 1.163 773 Y HN 0.199 nan 8.280 nan 0.000 0.527 774 D N 1.192 121.252 120.400 -0.567 0.000 2.378 774 D HA -0.110 4.528 4.640 -0.004 0.000 0.227 774 D C 0.472 176.485 176.300 -0.478 0.000 1.012 774 D CA 0.733 54.510 54.000 -0.373 0.000 0.905 774 D CB -0.048 40.644 40.800 -0.180 0.000 0.895 774 D HN 0.578 nan 8.370 nan 0.000 0.532 775 D N -1.157 118.683 120.400 -0.933 0.000 2.571 775 D HA 0.136 4.774 4.640 -0.004 0.000 0.239 775 D C -0.781 175.355 176.300 -0.274 0.000 1.267 775 D CA -0.555 53.064 54.000 -0.634 0.000 0.823 775 D CB -0.122 40.218 40.800 -0.766 0.000 1.056 775 D HN 0.065 nan 8.370 nan 0.000 0.494 776 F N 0.345 120.333 119.950 0.064 0.000 2.467 776 F HA 0.189 4.714 4.527 -0.004 0.000 0.362 776 F C 1.899 177.725 175.800 0.044 0.000 1.090 776 F CA -0.399 57.670 58.000 0.115 0.000 1.202 776 F CB 1.590 40.649 39.000 0.099 0.000 1.113 776 F HN -0.125 nan 8.300 nan 0.000 0.541 777 S N 2.747 118.581 115.700 0.223 0.000 2.336 777 S HA -0.039 4.429 4.470 -0.004 0.000 0.216 777 S C 0.978 175.651 174.600 0.121 0.000 1.032 777 S CA 0.193 58.469 58.200 0.126 0.000 0.973 777 S CB -0.148 63.107 63.200 0.091 0.000 0.888 777 S HN 0.382 nan 8.310 nan 0.000 0.455 778 L N 2.440 123.734 121.223 0.118 0.000 3.251 778 L HA 0.140 4.478 4.340 -0.004 0.000 0.310 778 L C 0.727 177.628 176.870 0.052 0.000 1.016 778 L CA 1.321 56.198 54.840 0.062 0.000 1.151 778 L CB -1.736 40.334 42.059 0.019 0.000 1.626 778 L HN 0.385 nan 8.230 nan 0.000 0.401 779 G N 3.173 112.002 108.800 0.048 0.000 2.146 779 G HA2 0.161 4.118 3.960 -0.004 0.000 0.261 779 G HA3 0.161 4.118 3.960 -0.004 0.000 0.261 779 G C 0.118 175.044 174.900 0.043 0.000 1.745 779 G CA -0.531 44.595 45.100 0.042 0.000 0.905 779 G HN 0.411 nan 8.290 nan 0.000 0.746 780 I N -0.919 119.671 120.570 0.035 0.000 3.441 780 I HA 0.136 4.304 4.170 -0.004 0.000 0.316 780 I C -0.604 175.537 176.117 0.040 0.000 1.214 780 I CA 0.153 61.474 61.300 0.035 0.000 1.226 780 I CB -1.630 36.388 38.000 0.031 0.000 0.993 780 I HN 0.138 nan 8.210 nan 0.000 0.563 781 D N 1.711 122.138 120.400 0.044 0.000 2.302 781 D HA 0.504 5.141 4.640 -0.004 0.000 0.248 781 D C 0.594 176.921 176.300 0.044 0.000 1.094 781 D CA 0.112 54.140 54.000 0.047 0.000 0.897 781 D CB 2.013 42.847 40.800 0.056 0.000 1.200 781 D HN 0.270 nan 8.370 nan 0.000 0.429 782 T N -0.793 113.786 114.554 0.042 0.000 2.584 782 T HA 0.289 4.636 4.350 -0.004 0.000 0.273 782 T C -0.320 174.399 174.700 0.031 0.000 0.978 782 T CA -0.415 61.710 62.100 0.041 0.000 1.159 782 T CB 0.722 69.622 68.868 0.054 0.000 1.556 782 T HN 0.543 nan 8.240 nan 0.000 0.472 783 E N -0.103 120.123 120.200 0.043 0.000 2.572 783 E HA 0.411 4.759 4.350 -0.004 0.000 0.220 783 E C 1.610 178.257 176.600 0.078 0.000 0.945 783 E CA 0.503 56.910 56.400 0.012 0.000 1.070 783 E CB 0.054 29.753 29.700 -0.002 0.000 1.090 783 E HN 0.483 nan 8.360 nan 0.000 0.506 784 A N 1.665 124.573 122.820 0.146 0.000 1.972 784 A HA -0.099 4.219 4.320 -0.004 0.000 0.219 784 A C 2.355 180.046 177.584 0.177 0.000 1.169 784 A CA 1.405 53.574 52.037 0.219 0.000 0.635 784 A CB -0.792 18.297 19.000 0.147 0.000 0.810 784 A HN 0.222 nan 8.150 nan 0.000 0.446 785 V N -0.120 119.855 119.914 0.103 0.000 2.392 785 V HA -0.215 3.903 4.120 -0.004 0.000 0.249 785 V C 2.672 178.805 176.094 0.065 0.000 1.059 785 V CA 2.414 64.762 62.300 0.081 0.000 1.051 785 V CB -0.857 30.998 31.823 0.053 0.000 0.658 785 V HN 0.616 nan 8.190 nan 0.000 0.455 786 A N -0.911 121.907 122.820 -0.003 0.000 1.865 786 A HA -0.242 4.075 4.320 -0.004 0.000 0.217 786 A C 1.910 179.465 177.584 -0.048 0.000 1.191 786 A CA 2.121 54.094 52.037 -0.107 0.000 0.623 786 A CB -1.157 17.664 19.000 -0.298 0.000 0.826 786 A HN 0.766 nan 8.150 nan 0.000 0.444 787 W N 0.148 121.493 121.300 0.074 0.000 2.358 787 W HA -0.096 4.562 4.660 -0.004 0.000 0.303 787 W C 2.305 178.937 176.519 0.188 0.000 1.208 787 W CA 1.063 58.472 57.345 0.107 0.000 1.274 787 W CB -0.189 29.285 29.460 0.024 0.000 1.138 787 W HN 0.446 nan 8.180 nan 0.000 0.515 788 E N 0.490 120.898 120.200 0.346 0.000 2.171 788 E HA -0.239 4.109 4.350 -0.004 0.000 0.197 788 E C 1.785 178.511 176.600 0.210 0.000 0.997 788 E CA 1.358 57.903 56.400 0.241 0.000 0.810 788 E CB -0.277 29.520 29.700 0.162 0.000 0.738 788 E HN 0.385 nan 8.360 nan 0.000 0.467 789 K N 0.134 120.650 120.400 0.194 0.000 2.062 789 K HA -0.094 4.224 4.320 -0.004 0.000 0.205 789 K C 1.943 178.655 176.600 0.187 0.000 1.051 789 K CA 0.947 57.322 56.287 0.146 0.000 0.941 789 K CB -0.190 32.369 32.500 0.098 0.000 0.719 789 K HN 0.067 nan 8.250 nan 0.000 0.440 790 F N 1.595 121.616 119.950 0.119 0.000 2.102 790 F HA -0.193 4.332 4.527 -0.004 0.000 0.298 790 F C 1.610 177.525 175.800 0.192 0.000 1.105 790 F CA 1.127 59.227 58.000 0.165 0.000 1.239 790 F CB -0.110 39.056 39.000 0.276 0.000 0.991 790 F HN -0.137 nan 8.300 nan 0.000 0.474 791 L N 0.619 122.085 121.223 0.404 0.000 2.191 791 L HA -0.098 4.240 4.340 -0.004 0.000 0.212 791 L C 2.654 179.559 176.870 0.058 0.000 1.103 791 L CA 1.666 56.634 54.840 0.213 0.000 0.769 791 L CB -2.098 40.129 42.059 0.280 0.000 0.908 791 L HN 0.342 nan 8.230 nan 0.000 0.438 792 A N -0.973 121.889 122.820 0.070 0.000 1.930 792 A HA 0.029 4.347 4.320 -0.004 0.000 0.215 792 A C 2.488 180.070 177.584 -0.003 0.000 1.176 792 A CA 1.276 53.337 52.037 0.040 0.000 0.632 792 A CB -0.564 18.472 19.000 0.060 0.000 0.819 792 A HN 0.343 nan 8.150 nan 0.000 0.445 793 A N -0.393 122.405 122.820 -0.037 0.000 1.898 793 A HA -0.110 4.208 4.320 -0.004 0.000 0.216 793 A C 1.960 179.490 177.584 -0.091 0.000 1.181 793 A CA 1.694 53.696 52.037 -0.058 0.000 0.620 793 A CB -0.418 18.537 19.000 -0.075 0.000 0.819 793 A HN 0.380 nan 8.150 nan 0.000 0.442 794 E N 0.134 120.230 120.200 -0.174 0.000 2.038 794 E HA -0.177 4.171 4.350 -0.004 0.000 0.195 794 E C 2.354 178.926 176.600 -0.048 0.000 1.000 794 E CA 1.441 57.761 56.400 -0.134 0.000 0.803 794 E CB -0.714 28.873 29.700 -0.188 0.000 0.750 794 E HN 0.536 nan 8.360 nan 0.000 0.448 795 A N 1.179 123.981 122.820 -0.029 0.000 1.972 795 A HA -0.192 4.126 4.320 -0.004 0.000 0.219 795 A C 2.125 179.703 177.584 -0.010 0.000 1.169 795 A CA 1.498 53.532 52.037 -0.004 0.000 0.635 795 A CB -0.296 18.712 19.000 0.012 0.000 0.810 795 A HN 0.118 nan 8.150 nan 0.000 0.446 796 E N -0.566 119.625 120.200 -0.014 0.000 2.076 796 E HA -0.124 4.224 4.350 -0.004 0.000 0.190 796 E C 2.121 178.703 176.600 -0.030 0.000 0.979 796 E CA 1.000 57.390 56.400 -0.016 0.000 0.807 796 E CB -0.342 29.356 29.700 -0.004 0.000 0.761 796 E HN 0.585 nan 8.360 nan 0.000 0.454 797 C N 0.720 120.004 119.300 -0.027 0.000 2.413 797 C HA -0.154 4.303 4.460 -0.004 0.000 0.277 797 C C 2.785 177.752 174.990 -0.038 0.000 1.265 797 C CA 0.927 59.926 59.018 -0.031 0.000 1.752 797 C CB -1.076 26.655 27.740 -0.014 0.000 1.998 797 C HN 0.505 nan 8.230 nan 0.000 0.489 798 A N 0.409 123.216 122.820 -0.022 0.000 1.859 798 A HA -0.155 4.162 4.320 -0.004 0.000 0.217 798 A C 2.005 179.567 177.584 -0.037 0.000 1.198 798 A CA 1.630 53.658 52.037 -0.014 0.000 0.629 798 A CB -0.773 18.226 19.000 -0.001 0.000 0.830 798 A HN 0.433 nan 8.150 nan 0.000 0.446 799 L N 0.348 121.546 121.223 -0.042 0.000 2.021 799 L HA -0.202 4.135 4.340 -0.004 0.000 0.215 799 L C 2.993 179.800 176.870 -0.104 0.000 1.074 799 L CA 2.739 57.545 54.840 -0.057 0.000 0.760 799 L CB -2.024 40.005 42.059 -0.050 0.000 0.889 799 L HN 0.733 nan 8.230 nan 0.000 0.433 800 T N -3.370 111.104 114.554 -0.132 0.000 2.985 800 T HA -0.088 4.260 4.350 -0.004 0.000 0.266 800 T C 1.709 176.251 174.700 -0.263 0.000 1.076 800 T CA 0.840 62.813 62.100 -0.212 0.000 1.135 800 T CB -0.192 68.542 68.868 -0.224 0.000 0.890 800 T HN 0.201 nan 8.240 nan 0.000 0.480 801 N N 1.794 120.370 118.700 -0.206 0.000 2.244 801 N HA 0.093 4.831 4.740 -0.004 0.000 0.183 801 N C 2.078 177.425 175.510 -0.271 0.000 1.016 801 N CA 1.374 54.263 53.050 -0.268 0.000 0.866 801 N CB -0.478 37.957 38.487 -0.087 0.000 0.980 801 N HN 0.671 nan 8.380 nan 0.000 0.430 802 A N 1.078 123.822 122.820 -0.127 0.000 1.861 802 A HA -0.003 4.315 4.320 -0.004 0.000 0.212 802 A C 2.240 179.774 177.584 -0.083 0.000 1.199 802 A CA 0.586 52.598 52.037 -0.042 0.000 0.613 802 A CB -0.410 18.584 19.000 -0.011 0.000 0.846 802 A HN 0.102 nan 8.150 nan 0.000 0.446 803 R N -0.816 119.604 120.500 -0.132 0.000 2.136 803 R HA -0.195 4.143 4.340 -0.004 0.000 0.242 803 R C 1.534 177.725 176.300 -0.182 0.000 1.131 803 R CA 1.912 57.921 56.100 -0.153 0.000 0.937 803 R CB -0.530 29.632 30.300 -0.231 0.000 0.863 803 R HN 0.378 nan 8.270 nan 0.000 0.435 804 L N 0.347 121.380 121.223 -0.315 0.000 2.633 804 L HA -0.090 4.248 4.340 -0.004 0.000 0.235 804 L C -0.107 176.608 176.870 -0.259 0.000 1.163 804 L CA 1.146 55.780 54.840 -0.343 0.000 0.859 804 L CB -0.297 41.484 42.059 -0.462 0.000 0.973 804 L HN 0.167 nan 8.230 nan 0.000 0.451 805 Y N -0.165 120.105 120.300 -0.051 0.000 2.837 805 Y HA 0.457 5.004 4.550 -0.004 0.000 0.356 805 Y C 0.702 176.587 175.900 -0.025 0.000 1.035 805 Y CA -1.142 56.937 58.100 -0.036 0.000 1.165 805 Y CB 0.068 38.508 38.460 -0.034 0.000 1.147 805 Y HN 0.196 nan 8.280 nan 0.000 0.628 806 R N -1.355 119.212 120.500 0.112 0.000 2.437 806 R HA 0.073 4.410 4.340 -0.004 0.000 0.065 806 R C -3.078 173.239 176.300 0.027 0.000 0.509 806 R CA -0.435 55.700 56.100 0.059 0.000 0.776 806 R CB -1.528 28.803 30.300 0.051 0.000 0.955 806 R HN 0.061 nan 8.270 nan 0.000 0.554 807 P HA 0.150 nan 4.420 nan 0.000 0.259 807 P C -1.262 175.948 177.300 -0.148 0.000 1.635 807 P CA 0.341 63.457 63.100 0.027 0.000 1.199 807 P CB 0.173 31.948 31.700 0.124 0.000 1.850 808 D N 0.431 120.716 120.400 -0.191 0.000 2.432 808 D HA 0.058 4.696 4.640 -0.004 0.000 0.265 808 D C 0.392 176.509 176.300 -0.305 0.000 1.160 808 D CA -1.102 52.675 54.000 -0.373 0.000 0.911 808 D CB -0.284 40.390 40.800 -0.211 0.000 1.052 808 D HN 0.217 nan 8.370 nan 0.000 0.508 809 Y N -0.042 120.245 120.300 -0.021 0.000 2.715 809 Y HA 0.091 4.638 4.550 -0.004 0.000 0.332 809 Y C 1.116 177.006 175.900 -0.017 0.000 1.213 809 Y CA -0.532 57.556 58.100 -0.020 0.000 1.304 809 Y CB -0.941 37.494 38.460 -0.041 0.000 1.041 809 Y HN 0.294 nan 8.280 nan 0.000 0.502 810 S N -1.721 113.995 115.700 0.027 0.000 2.524 810 S HA -0.311 4.156 4.470 -0.004 0.000 0.249 810 S C 0.641 175.276 174.600 0.059 0.000 1.261 810 S CA 1.783 60.002 58.200 0.033 0.000 1.551 810 S CB -1.156 62.075 63.200 0.051 0.000 1.976 810 S HN 0.916 nan 8.310 nan 0.000 0.639 811 E N 0.181 120.469 120.200 0.147 0.000 2.493 811 E HA 0.630 4.978 4.350 -0.004 0.000 0.243 811 E C -0.509 176.166 176.600 0.125 0.000 0.875 811 E CA -0.806 55.648 56.400 0.090 0.000 0.872 811 E CB 0.613 30.399 29.700 0.142 0.000 1.476 811 E HN 0.019 nan 8.360 nan 0.000 0.394 812 D N -1.201 119.125 120.400 -0.123 0.000 2.479 812 D HA 0.151 4.789 4.640 -0.004 0.000 0.221 812 D C 1.379 177.455 176.300 -0.372 0.000 1.104 812 D CA -0.008 53.912 54.000 -0.133 0.000 0.849 812 D CB 0.083 40.775 40.800 -0.180 0.000 1.072 812 D HN 0.176 nan 8.370 nan 0.000 0.502 813 F N 1.899 121.710 119.950 -0.232 0.000 2.000 813 F HA -0.140 4.385 4.527 -0.004 0.000 0.296 813 F C 1.391 176.767 175.800 -0.706 0.000 1.159 813 F CA 0.761 58.582 58.000 -0.299 0.000 1.183 813 F CB -1.132 37.764 39.000 -0.174 0.000 0.959 813 F HN -0.160 nan 8.300 nan 0.000 0.490 814 N N 0.908 119.232 118.700 -0.628 0.000 2.301 814 N HA -0.061 4.677 4.740 -0.004 0.000 0.267 814 N C -1.264 173.521 175.510 -1.208 0.000 1.304 814 N CA 0.746 53.289 53.050 -0.844 0.000 0.851 814 N CB -0.327 37.688 38.487 -0.787 0.000 1.070 814 N HN -0.006 nan 8.380 nan 0.000 0.483 815 F N 0.140 119.915 119.950 -0.292 0.000 2.540 815 F HA 0.278 4.803 4.527 -0.004 0.000 0.317 815 F C 0.552 176.280 175.800 -0.120 0.000 1.104 815 F CA -0.904 56.998 58.000 -0.163 0.000 0.913 815 F CB 1.752 40.701 39.000 -0.085 0.000 1.170 815 F HN 0.228 nan 8.300 nan 0.000 0.450 816 S N 3.416 119.164 115.700 0.081 0.000 2.536 816 S HA 0.427 4.895 4.470 -0.004 0.000 0.298 816 S C 0.280 174.831 174.600 -0.081 0.000 1.083 816 S CA -0.757 57.420 58.200 -0.038 0.000 0.995 816 S CB 1.715 64.845 63.200 -0.116 0.000 1.058 816 S HN 0.683 nan 8.310 nan 0.000 0.488 817 L N 4.178 125.337 121.223 -0.108 0.000 2.012 817 L HA 0.159 4.497 4.340 -0.004 0.000 0.210 817 L C 2.276 179.039 176.870 -0.178 0.000 1.073 817 L CA 2.837 57.611 54.840 -0.110 0.000 0.748 817 L CB -1.543 40.463 42.059 -0.088 0.000 0.891 817 L HN 1.010 nan 8.230 nan 0.000 0.431 818 G N -1.306 107.280 108.800 -0.358 0.000 2.459 818 G HA2 -0.332 3.626 3.960 -0.004 0.000 0.217 818 G HA3 -0.332 3.626 3.960 -0.004 0.000 0.217 818 G C 1.490 176.107 174.900 -0.472 0.000 1.183 818 G CA 0.770 45.558 45.100 -0.519 0.000 0.776 818 G HN 0.535 nan 8.290 nan 0.000 0.552 819 E N 0.163 119.993 120.200 -0.617 0.000 2.086 819 E HA -0.176 4.171 4.350 -0.004 0.000 0.200 819 E C 2.733 179.349 176.600 0.027 0.000 1.012 819 E CA 1.459 57.740 56.400 -0.198 0.000 0.812 819 E CB -0.176 29.504 29.700 -0.033 0.000 0.743 819 E HN 0.387 nan 8.360 nan 0.000 0.453 820 S N -0.604 115.128 115.700 0.052 0.000 2.399 820 S HA -0.146 4.322 4.470 -0.004 0.000 0.231 820 S C 1.984 176.631 174.600 0.078 0.000 1.022 820 S CA 0.879 59.150 58.200 0.117 0.000 0.983 820 S CB -0.161 63.060 63.200 0.036 0.000 0.803 820 S HN 0.441 nan 8.310 nan 0.000 0.480 821 C N 1.613 120.920 119.300 0.011 0.000 2.486 821 C HA 0.124 4.581 4.460 -0.004 0.000 0.279 821 C C 2.565 177.578 174.990 0.038 0.000 1.302 821 C CA 0.179 59.208 59.018 0.018 0.000 1.720 821 C CB -1.197 26.545 27.740 0.002 0.000 2.030 821 C HN 0.749 nan 8.230 nan 0.000 0.490 822 I N -0.671 119.906 120.570 0.012 0.000 2.614 822 I HA -0.175 3.993 4.170 -0.004 0.000 0.258 822 I C 2.143 178.247 176.117 -0.022 0.000 1.189 822 I CA 1.813 63.110 61.300 -0.005 0.000 1.462 822 I CB -0.895 37.089 38.000 -0.026 0.000 1.092 822 I HN 0.457 nan 8.210 nan 0.000 0.442 823 H N 0.570 119.660 119.070 0.033 0.000 2.428 823 H HA 0.031 4.585 4.556 -0.004 0.000 0.296 823 H C 2.308 177.647 175.328 0.018 0.000 1.062 823 H CA 1.904 57.968 56.048 0.027 0.000 1.350 823 H CB 0.149 29.926 29.762 0.025 0.000 1.403 823 H HN 0.322 nan 8.280 nan 0.000 0.533 824 M N -0.717 118.964 119.600 0.135 0.000 2.216 824 M HA 0.000 4.478 4.480 -0.004 0.000 0.264 824 M C 2.695 179.029 176.300 0.057 0.000 1.080 824 M CA 0.915 56.256 55.300 0.068 0.000 1.153 824 M CB 0.123 32.738 32.600 0.026 0.000 1.356 824 M HN 0.331 nan 8.290 nan 0.000 0.432 825 A N 0.658 123.514 122.820 0.059 0.000 1.892 825 A HA -0.252 4.065 4.320 -0.004 0.000 0.218 825 A C 2.159 179.799 177.584 0.094 0.000 1.188 825 A CA 2.067 54.151 52.037 0.079 0.000 0.631 825 A CB -0.928 18.129 19.000 0.094 0.000 0.822 825 A HN 0.461 nan 8.150 nan 0.000 0.447 826 R N -0.632 119.912 120.500 0.072 0.000 2.103 826 R HA -0.187 4.151 4.340 -0.004 0.000 0.242 826 R C 2.441 178.781 176.300 0.067 0.000 1.142 826 R CA 1.987 58.123 56.100 0.059 0.000 0.960 826 R CB -0.288 30.045 30.300 0.054 0.000 0.858 826 R HN 0.582 nan 8.270 nan 0.000 0.439 827 R N 0.363 120.908 120.500 0.075 0.000 2.115 827 R HA -0.048 4.289 4.340 -0.004 0.000 0.226 827 R C 2.010 178.358 176.300 0.079 0.000 1.100 827 R CA 1.298 57.438 56.100 0.066 0.000 0.980 827 R CB 0.140 30.474 30.300 0.056 0.000 0.875 827 R HN 0.202 nan 8.270 nan 0.000 0.445 828 K N 0.022 120.484 120.400 0.104 0.000 2.062 828 K HA -0.068 4.249 4.320 -0.004 0.000 0.205 828 K C 2.069 178.844 176.600 0.292 0.000 1.051 828 K CA 1.119 57.512 56.287 0.176 0.000 0.941 828 K CB -0.077 32.488 32.500 0.107 0.000 0.719 828 K HN 0.182 nan 8.250 nan 0.000 0.440 829 I N 1.731 122.436 120.570 0.224 0.000 2.179 829 I HA -0.290 3.878 4.170 -0.004 0.000 0.242 829 I C 2.630 178.719 176.117 -0.047 0.000 1.088 829 I CA 1.201 62.545 61.300 0.073 0.000 1.357 829 I CB -0.463 37.528 38.000 -0.015 0.000 1.051 829 I HN 0.130 nan 8.210 nan 0.000 0.409 830 A N 0.499 123.314 122.820 -0.009 0.000 1.917 830 A HA -0.303 4.015 4.320 -0.004 0.000 0.219 830 A C 2.417 180.000 177.584 -0.001 0.000 1.182 830 A CA 2.105 54.131 52.037 -0.018 0.000 0.633 830 A CB -0.609 18.406 19.000 0.025 0.000 0.819 830 A HN 0.362 nan 8.150 nan 0.000 0.448 831 K N -0.543 119.882 120.400 0.042 0.000 2.155 831 K HA 0.001 4.319 4.320 -0.004 0.000 0.203 831 K C 1.957 178.581 176.600 0.040 0.000 1.052 831 K CA 0.996 57.317 56.287 0.056 0.000 0.948 831 K CB -0.236 32.316 32.500 0.086 0.000 0.728 831 K HN 0.527 nan 8.250 nan 0.000 0.448 832 L N 0.801 122.037 121.223 0.021 0.000 2.023 832 L HA -0.114 4.223 4.340 -0.004 0.000 0.205 832 L C 2.295 179.062 176.870 -0.173 0.000 1.073 832 L CA 1.220 56.005 54.840 -0.091 0.000 0.745 832 L CB -0.129 41.754 42.059 -0.295 0.000 0.900 832 L HN 0.227 nan 8.230 nan 0.000 0.435 833 I N -1.047 119.376 120.570 -0.245 0.000 2.494 833 I HA 0.076 4.243 4.170 -0.004 0.000 0.250 833 I C 0.975 177.053 176.117 -0.064 0.000 1.112 833 I CA 0.821 61.903 61.300 -0.363 0.000 1.438 833 I CB 0.218 37.745 38.000 -0.789 0.000 1.111 833 I HN 0.473 nan 8.210 nan 0.000 0.431 834 G N 0.500 109.313 108.800 0.021 0.000 2.479 834 G HA2 -0.175 3.782 3.960 -0.004 0.000 0.686 834 G HA3 -0.175 3.782 3.960 -0.004 0.000 0.686 834 G C -0.445 174.627 174.900 0.286 0.000 1.295 834 G CA -0.240 44.979 45.100 0.199 0.000 0.922 834 G HN 0.059 nan 8.290 nan 0.000 0.582 835 D N -1.342 119.207 120.400 0.249 0.000 2.183 835 D HA 0.240 4.878 4.640 -0.004 0.000 0.203 835 D C 1.150 177.644 176.300 0.322 0.000 0.969 835 D CA 1.937 56.078 54.000 0.234 0.000 0.842 835 D CB 0.536 41.416 40.800 0.133 0.000 0.957 835 D HN 0.722 nan 8.370 nan 0.000 0.484 836 V N -0.153 119.913 119.914 0.253 0.000 3.167 836 V HA 0.256 4.373 4.120 -0.004 0.000 0.293 836 V C -2.620 173.317 176.094 -0.260 0.000 1.379 836 V CA -1.934 60.280 62.300 -0.144 0.000 1.019 836 V CB 2.582 34.333 31.823 -0.120 0.000 1.115 836 V HN -0.192 nan 8.190 nan 0.000 0.442 837 P HA 0.126 nan 4.420 nan 0.000 0.261 837 P C -0.089 177.098 177.300 -0.187 0.000 1.203 837 P CA 0.310 63.050 63.100 -0.601 0.000 0.767 837 P CB 0.313 31.464 31.700 -0.915 0.000 0.785 838 S N 2.030 117.720 115.700 -0.017 0.000 2.559 838 S HA 0.016 4.483 4.470 -0.004 0.000 0.282 838 S C 1.467 176.076 174.600 0.015 0.000 1.336 838 S CA -0.549 57.663 58.200 0.019 0.000 1.037 838 S CB 0.149 63.387 63.200 0.064 0.000 0.853 838 S HN 0.280 nan 8.310 nan 0.000 0.523 839 V N 1.410 121.338 119.914 0.023 0.000 2.878 839 V HA -0.080 4.038 4.120 -0.004 0.000 0.250 839 V C 2.423 178.552 176.094 0.057 0.000 1.075 839 V CA 1.287 63.613 62.300 0.043 0.000 1.096 839 V CB -1.552 30.293 31.823 0.036 0.000 0.724 839 V HN 1.006 nan 8.190 nan 0.000 0.467 840 E N 2.233 122.462 120.200 0.048 0.000 2.209 840 E HA -0.133 4.215 4.350 -0.004 0.000 0.196 840 E C 2.152 178.785 176.600 0.054 0.000 0.993 840 E CA 1.615 58.041 56.400 0.044 0.000 0.819 840 E CB -0.499 29.224 29.700 0.039 0.000 0.745 840 E HN 0.556 nan 8.360 nan 0.000 0.477 841 G N 0.556 109.408 108.800 0.088 0.000 2.608 841 G HA2 -0.082 3.875 3.960 -0.004 0.000 0.210 841 G HA3 -0.082 3.875 3.960 -0.004 0.000 0.210 841 G C 1.465 176.474 174.900 0.182 0.000 1.139 841 G CA 0.348 45.545 45.100 0.161 0.000 0.812 841 G HN 0.072 nan 8.290 nan 0.000 0.529 842 M N 0.575 120.249 119.600 0.123 0.000 2.296 842 M HA 0.205 4.683 4.480 -0.004 0.000 0.265 842 M C 2.015 178.400 176.300 0.142 0.000 1.064 842 M CA 0.849 56.231 55.300 0.138 0.000 1.109 842 M CB -0.211 32.467 32.600 0.129 0.000 1.396 842 M HN 0.041 nan 8.290 nan 0.000 0.430 843 L N -0.098 121.186 121.223 0.102 0.000 2.095 843 L HA -0.084 4.253 4.340 -0.004 0.000 0.204 843 L C 2.288 179.143 176.870 -0.025 0.000 1.080 843 L CA 1.700 56.587 54.840 0.079 0.000 0.759 843 L CB -1.062 41.038 42.059 0.068 0.000 0.914 843 L HN 0.466 nan 8.230 nan 0.000 0.439 844 R N -2.250 118.194 120.500 -0.094 0.000 2.275 844 R HA -0.028 4.309 4.340 -0.004 0.000 0.199 844 R C 1.457 177.525 176.300 -0.385 0.000 0.989 844 R CA 0.666 56.609 56.100 -0.262 0.000 1.016 844 R CB -0.168 29.946 30.300 -0.311 0.000 0.918 844 R HN 0.373 nan 8.270 nan 0.000 0.473 845 H N -0.564 118.473 119.070 -0.055 0.000 2.885 845 H HA 0.232 4.785 4.556 -0.004 0.000 0.260 845 H C 0.040 175.288 175.328 -0.133 0.000 0.985 845 H CA -0.536 55.474 56.048 -0.064 0.000 1.210 845 H CB 0.424 30.176 29.762 -0.016 0.000 1.466 845 H HN 0.076 nan 8.280 nan 0.000 0.493 846 C N 4.024 123.272 119.300 -0.086 0.000 2.629 846 C HA 0.370 4.828 4.460 -0.004 0.000 0.410 846 C C 1.013 175.580 174.990 -0.706 0.000 1.339 846 C CA -0.037 58.715 59.018 -0.443 0.000 1.810 846 C CB -0.842 26.681 27.740 -0.361 0.000 2.549 846 C HN 0.585 nan 8.230 nan 0.000 0.589 847 R N 2.322 122.165 120.500 -1.094 0.000 2.712 847 R HA 0.501 4.839 4.340 -0.004 0.000 0.272 847 R C -1.951 174.022 176.300 -0.544 0.000 1.032 847 R CA -0.720 55.022 56.100 -0.598 0.000 0.874 847 R CB 0.498 30.845 30.300 0.078 0.000 1.256 847 R HN 0.350 nan 8.270 nan 0.000 0.468 848 F N 0.574 120.529 119.950 0.009 0.000 2.385 848 F HA 0.689 5.214 4.527 -0.004 0.000 0.336 848 F C 0.331 176.089 175.800 -0.070 0.000 1.100 848 F CA 0.007 57.948 58.000 -0.098 0.000 1.116 848 F CB 2.020 40.768 39.000 -0.420 0.000 1.166 848 F HN 0.623 nan 8.300 nan 0.000 0.511 849 S N 1.182 116.949 115.700 0.112 0.000 2.596 849 S HA 0.553 5.020 4.470 -0.004 0.000 0.305 849 S C -0.298 174.278 174.600 -0.040 0.000 1.086 849 S CA 0.079 58.274 58.200 -0.009 0.000 0.909 849 S CB 0.489 63.710 63.200 0.035 0.000 1.106 849 S HN 1.434 nan 8.310 nan 0.000 0.450 850 G N 3.424 112.168 108.800 -0.093 0.000 2.246 850 G HA2 0.274 4.231 3.960 -0.004 0.000 0.196 850 G HA3 0.274 4.231 3.960 -0.004 0.000 0.196 850 G C 0.449 175.318 174.900 -0.051 0.000 1.180 850 G CA 0.261 45.325 45.100 -0.060 0.000 1.291 850 G HN 1.502 nan 8.290 nan 0.000 0.508 851 G N 0.169 108.946 108.800 -0.039 0.000 2.849 851 G HA2 0.767 4.724 3.960 -0.004 0.000 0.174 851 G HA3 0.767 4.724 3.960 -0.004 0.000 0.174 851 G C 0.643 175.522 174.900 -0.034 0.000 1.370 851 G CA 0.808 45.889 45.100 -0.031 0.000 1.040 851 G HN 1.931 nan 8.290 nan 0.000 0.582 852 A N -0.601 122.202 122.820 -0.029 0.000 2.445 852 A HA 0.580 4.898 4.320 -0.004 0.000 0.242 852 A C 0.717 178.284 177.584 -0.027 0.000 1.075 852 A CA 0.787 52.808 52.037 -0.027 0.000 0.777 852 A CB -0.089 18.898 19.000 -0.022 0.000 1.013 852 A HN 1.448 nan 8.150 nan 0.000 0.493 853 T N -1.999 112.534 114.554 -0.035 0.000 2.916 853 T HA 0.412 4.759 4.350 -0.004 0.000 0.292 853 T C 1.058 175.752 174.700 -0.011 0.000 1.064 853 T CA 0.312 62.395 62.100 -0.028 0.000 1.011 853 T CB 1.129 69.956 68.868 -0.069 0.000 1.152 853 T HN 0.787 nan 8.240 nan 0.000 0.510 854 T N 0.737 115.301 114.554 0.015 0.000 2.771 854 T HA -0.256 4.092 4.350 -0.004 0.000 0.262 854 T C 1.594 176.298 174.700 0.006 0.000 1.027 854 T CA 3.432 65.550 62.100 0.031 0.000 1.159 854 T CB -1.091 67.813 68.868 0.060 0.000 0.844 854 T HN 0.989 nan 8.240 nan 0.000 0.478 855 T N -3.133 111.407 114.554 -0.023 0.000 2.959 855 T HA 0.312 4.659 4.350 -0.004 0.000 0.254 855 T C 0.396 175.063 174.700 -0.055 0.000 1.003 855 T CA -0.498 61.577 62.100 -0.042 0.000 0.950 855 T CB 0.144 68.976 68.868 -0.059 0.000 1.090 855 T HN 0.193 nan 8.240 nan 0.000 0.503 856 N N 3.070 121.738 118.700 -0.054 0.000 2.400 856 N HA 0.478 5.215 4.740 -0.004 0.000 0.288 856 N C -0.899 174.615 175.510 0.006 0.000 1.024 856 N CA -0.748 52.292 53.050 -0.016 0.000 0.894 856 N CB 1.185 39.652 38.487 -0.035 0.000 1.173 856 N HN 0.625 nan 8.380 nan 0.000 0.487 857 N N -0.234 118.487 118.700 0.035 0.000 2.463 857 N HA 0.307 5.045 4.740 -0.004 0.000 0.270 857 N C 0.632 176.106 175.510 -0.061 0.000 1.205 857 N CA -0.867 52.170 53.050 -0.022 0.000 0.974 857 N CB 1.551 40.013 38.487 -0.042 0.000 1.197 857 N HN 0.278 nan 8.380 nan 0.000 0.504 858 R N -0.128 120.329 120.500 -0.071 0.000 2.174 858 R HA -0.231 4.106 4.340 -0.004 0.000 0.253 858 R C 1.859 178.093 176.300 -0.109 0.000 1.165 858 R CA 1.800 57.857 56.100 -0.072 0.000 0.984 858 R CB -0.604 29.654 30.300 -0.070 0.000 0.873 858 R HN 0.779 nan 8.270 nan 0.000 0.456 859 S N -0.061 115.510 115.700 -0.214 0.000 2.423 859 S HA -0.117 4.350 4.470 -0.004 0.000 0.231 859 S C 0.996 175.280 174.600 -0.527 0.000 1.014 859 S CA 0.632 58.608 58.200 -0.374 0.000 0.965 859 S CB 0.014 62.909 63.200 -0.510 0.000 0.785 859 S HN 0.449 nan 8.310 nan 0.000 0.495 860 Y N 1.143 121.313 120.300 -0.216 0.000 2.833 860 Y HA 0.434 4.982 4.550 -0.004 0.000 0.339 860 Y C 1.902 177.813 175.900 0.018 0.000 1.032 860 Y CA -0.466 57.435 58.100 -0.332 0.000 1.450 860 Y CB 0.009 38.123 38.460 -0.576 0.000 1.296 860 Y HN 0.344 nan 8.280 nan 0.000 0.535 861 G N -0.934 107.958 108.800 0.153 0.000 2.394 861 G HA2 -0.222 3.735 3.960 -0.004 0.000 0.215 861 G HA3 -0.222 3.735 3.960 -0.004 0.000 0.215 861 G C 0.262 175.221 174.900 0.098 0.000 1.165 861 G CA 0.019 45.171 45.100 0.087 0.000 0.784 861 G HN 0.472 nan 8.290 nan 0.000 0.535 862 H N 1.547 120.673 119.070 0.094 0.000 3.092 862 H HA 0.089 4.643 4.556 -0.004 0.000 0.332 862 H C -1.190 174.004 175.328 -0.224 0.000 1.029 862 H CA -0.659 55.349 56.048 -0.066 0.000 1.376 862 H CB 1.220 30.936 29.762 -0.077 0.000 1.329 862 H HN -0.052 nan 8.280 nan 0.000 0.598 863 P HA -0.238 nan 4.420 nan 0.000 0.218 863 P C 1.383 178.434 177.300 -0.415 0.000 1.146 863 P CA 2.046 64.740 63.100 -0.676 0.000 0.820 863 P CB 0.042 31.054 31.700 -1.147 0.000 0.778 864 S N -1.565 114.007 115.700 -0.212 0.000 2.399 864 S HA -0.132 4.336 4.470 -0.004 0.000 0.231 864 S C 1.584 176.066 174.600 -0.197 0.000 1.022 864 S CA 0.965 59.124 58.200 -0.068 0.000 0.983 864 S CB -1.727 61.413 63.200 -0.100 0.000 0.803 864 S HN 0.138 nan 8.310 nan 0.000 0.480 865 F N 1.551 121.467 119.950 -0.057 0.000 2.804 865 F HA 0.332 4.857 4.527 -0.004 0.000 0.303 865 F C 2.212 177.788 175.800 -0.374 0.000 1.154 865 F CA -0.200 57.711 58.000 -0.148 0.000 1.401 865 F CB 0.211 39.182 39.000 -0.048 0.000 1.106 865 F HN 0.116 nan 8.300 nan 0.000 0.568 866 K N -0.613 119.482 120.400 -0.508 0.000 2.313 866 K HA 0.136 4.453 4.320 -0.004 0.000 0.197 866 K C 1.372 177.227 176.600 -1.241 0.000 1.061 866 K CA 0.615 56.170 56.287 -1.220 0.000 0.980 866 K CB -0.296 30.876 32.500 -2.213 0.000 0.888 866 K HN 0.288 nan 8.250 nan 0.000 0.502 867 F N 1.501 121.142 119.950 -0.515 0.000 2.512 867 F HA 0.074 4.599 4.527 -0.004 0.000 0.296 867 F C 2.267 178.004 175.800 -0.105 0.000 1.110 867 F CA 0.363 58.250 58.000 -0.189 0.000 1.446 867 F CB -0.222 38.746 39.000 -0.053 0.000 1.092 867 F HN -0.044 nan 8.300 nan 0.000 0.554 868 A N 0.737 123.573 122.820 0.027 0.000 1.833 868 A HA 0.052 4.370 4.320 -0.004 0.000 0.215 868 A C 0.909 178.490 177.584 -0.004 0.000 1.275 868 A CA 0.625 52.690 52.037 0.047 0.000 0.602 868 A CB -0.924 18.135 19.000 0.098 0.000 0.929 868 A HN -0.001 nan 8.150 nan 0.000 0.462 869 L N 0.306 121.487 121.223 -0.069 0.000 2.426 869 L HA 0.285 4.623 4.340 -0.004 0.000 0.271 869 L C -2.434 174.363 176.870 -0.122 0.000 1.169 869 L CA -2.108 52.670 54.840 -0.103 0.000 0.836 869 L CB -0.955 41.004 42.059 -0.167 0.000 1.112 869 L HN 0.091 nan 8.230 nan 0.000 0.465 870 P HA 0.056 nan 4.420 nan 0.000 0.264 870 P C -0.353 176.915 177.300 -0.054 0.000 1.193 870 P CA 0.015 63.133 63.100 0.029 0.000 0.763 870 P CB 0.483 32.231 31.700 0.081 0.000 0.810 871 Q N 1.816 121.545 119.800 -0.119 0.000 2.222 871 Q HA 0.545 4.883 4.340 -0.004 0.000 0.252 871 Q C 0.424 176.496 176.000 0.120 0.000 0.926 871 Q CA -0.583 55.081 55.803 -0.231 0.000 0.899 871 Q CB 1.620 29.883 28.738 -0.791 0.000 1.250 871 Q HN 0.458 nan 8.270 nan 0.000 0.441 872 A N 0.853 123.736 122.820 0.105 0.000 2.261 872 A HA 0.494 4.811 4.320 -0.004 0.000 0.275 872 A C 0.149 177.927 177.584 0.325 0.000 1.246 872 A CA 0.196 52.350 52.037 0.195 0.000 0.810 872 A CB 0.124 19.202 19.000 0.131 0.000 1.168 872 A HN 0.934 nan 8.150 nan 0.000 0.506 873 C N -2.410 117.044 119.300 0.257 0.000 3.038 873 C HA 0.540 4.998 4.460 -0.004 0.000 0.371 873 C C -0.442 174.649 174.990 0.168 0.000 1.115 873 C CA 0.218 59.395 59.018 0.264 0.000 1.091 873 C CB 0.263 28.183 27.740 0.300 0.000 1.426 873 C HN 1.415 nan 8.230 nan 0.000 0.542 874 T N 4.474 119.112 114.554 0.140 0.000 2.929 874 T HA 0.642 4.990 4.350 -0.004 0.000 0.284 874 T C -1.252 173.490 174.700 0.071 0.000 1.014 874 T CA -1.191 60.967 62.100 0.096 0.000 1.051 874 T CB 1.649 70.564 68.868 0.078 0.000 1.028 874 T HN 0.712 nan 8.240 nan 0.000 0.485 875 P HA -0.173 nan 4.420 nan 0.000 0.215 875 P C 1.330 178.650 177.300 0.033 0.000 1.163 875 P CA 1.447 64.569 63.100 0.037 0.000 0.894 875 P CB 0.100 31.816 31.700 0.026 0.000 0.791 876 R N -0.463 120.058 120.500 0.034 0.000 2.159 876 R HA -0.034 4.304 4.340 -0.004 0.000 0.237 876 R C 2.273 178.625 176.300 0.087 0.000 1.131 876 R CA 1.435 57.560 56.100 0.042 0.000 0.982 876 R CB -0.725 29.592 30.300 0.030 0.000 0.868 876 R HN 0.201 nan 8.270 nan 0.000 0.453 877 A N 0.878 123.748 122.820 0.084 0.000 2.132 877 A HA -0.013 4.305 4.320 -0.004 0.000 0.213 877 A C 1.984 179.634 177.584 0.110 0.000 1.154 877 A CA 0.066 52.171 52.037 0.114 0.000 0.753 877 A CB -0.113 18.920 19.000 0.055 0.000 0.826 877 A HN 0.246 nan 8.150 nan 0.000 0.469 878 L N 1.013 122.262 121.223 0.044 0.000 2.081 878 L HA -0.253 4.085 4.340 -0.004 0.000 0.212 878 L C 2.211 179.034 176.870 -0.078 0.000 1.080 878 L CA 2.827 57.656 54.840 -0.018 0.000 0.754 878 L CB -0.498 41.552 42.059 -0.015 0.000 0.893 878 L HN 0.515 nan 8.230 nan 0.000 0.433 879 K N -2.056 118.284 120.400 -0.101 0.000 2.209 879 K HA -0.196 4.121 4.320 -0.004 0.000 0.204 879 K C 1.882 178.288 176.600 -0.323 0.000 1.048 879 K CA 1.903 58.056 56.287 -0.222 0.000 0.940 879 K CB -0.804 31.517 32.500 -0.297 0.000 0.729 879 K HN 0.404 nan 8.250 nan 0.000 0.451 880 Y N 1.169 121.249 120.300 -0.366 0.000 2.184 880 Y HA -0.160 4.387 4.550 -0.004 0.000 0.290 880 Y C 2.627 178.257 175.900 -0.449 0.000 1.129 880 Y CA 0.995 58.726 58.100 -0.616 0.000 1.144 880 Y CB -0.350 37.326 38.460 -1.306 0.000 0.995 880 Y HN 0.007 nan 8.280 nan 0.000 0.513 881 V N 0.374 120.161 119.914 -0.213 0.000 2.515 881 V HA -0.211 3.907 4.120 -0.004 0.000 0.250 881 V C 1.814 177.778 176.094 -0.216 0.000 1.058 881 V CA 1.584 63.742 62.300 -0.237 0.000 1.064 881 V CB -0.574 30.878 31.823 -0.618 0.000 0.675 881 V HN 0.467 nan 8.190 nan 0.000 0.461 882 L N 0.535 121.655 121.223 -0.172 0.000 2.083 882 L HA -0.090 4.247 4.340 -0.004 0.000 0.209 882 L C 2.960 179.777 176.870 -0.088 0.000 1.083 882 L CA 1.734 56.499 54.840 -0.125 0.000 0.752 882 L CB -1.055 40.937 42.059 -0.113 0.000 0.899 882 L HN 0.482 nan 8.230 nan 0.000 0.433 883 A N 0.038 122.803 122.820 -0.091 0.000 1.930 883 A HA -0.193 4.125 4.320 -0.004 0.000 0.217 883 A C 2.200 179.811 177.584 0.045 0.000 1.175 883 A CA 1.394 53.406 52.037 -0.043 0.000 0.627 883 A CB -0.509 18.442 19.000 -0.082 0.000 0.815 883 A HN 0.332 nan 8.150 nan 0.000 0.443 884 L N -0.090 121.187 121.223 0.091 0.000 2.056 884 L HA -0.044 4.294 4.340 -0.004 0.000 0.207 884 L C 2.361 179.278 176.870 0.079 0.000 1.078 884 L CA 2.288 57.227 54.840 0.164 0.000 0.749 884 L CB -0.606 41.558 42.059 0.175 0.000 0.901 884 L HN 0.439 nan 8.230 nan 0.000 0.433 885 R N -0.447 120.042 120.500 -0.017 0.000 2.152 885 R HA -0.080 4.258 4.340 -0.004 0.000 0.232 885 R C 1.836 178.129 176.300 -0.013 0.000 1.117 885 R CA 1.085 57.168 56.100 -0.027 0.000 0.981 885 R CB -0.235 30.027 30.300 -0.064 0.000 0.870 885 R HN 0.506 nan 8.270 nan 0.000 0.451 886 A N -0.158 122.659 122.820 -0.005 0.000 2.208 886 A HA -0.008 4.310 4.320 -0.004 0.000 0.209 886 A C 1.552 179.144 177.584 0.013 0.000 1.161 886 A CA 0.972 53.007 52.037 -0.004 0.000 0.782 886 A CB 0.088 19.081 19.000 -0.011 0.000 0.816 886 A HN 0.476 nan 8.150 nan 0.000 0.477 887 S N -2.283 113.440 115.700 0.038 0.000 2.540 887 S HA 0.233 4.701 4.470 -0.004 0.000 0.222 887 S C 0.536 175.152 174.600 0.028 0.000 1.008 887 S CA 0.370 58.610 58.200 0.066 0.000 0.939 887 S CB 0.046 63.329 63.200 0.139 0.000 0.865 887 S HN 0.354 nan 8.310 nan 0.000 0.499 888 T N 1.703 116.222 114.554 -0.059 0.000 2.900 888 T HA 0.366 4.714 4.350 -0.004 0.000 0.295 888 T C 0.770 175.317 174.700 -0.255 0.000 1.044 888 T CA -0.658 61.275 62.100 -0.279 0.000 0.995 888 T CB 1.165 69.680 68.868 -0.589 0.000 1.072 888 T HN 0.387 nan 8.240 nan 0.000 0.473 889 H N 2.619 121.485 119.070 -0.340 0.000 2.482 889 H HA 0.154 4.707 4.556 -0.004 0.000 0.286 889 H C 0.046 175.178 175.328 -0.326 0.000 1.017 889 H CA 0.015 55.861 56.048 -0.336 0.000 1.322 889 H CB -0.324 29.197 29.762 -0.402 0.000 1.426 889 H HN 0.404 nan 8.280 nan 0.000 0.546 890 F N 4.006 123.617 119.950 -0.565 0.000 2.595 890 F HA 0.010 4.534 4.527 -0.004 0.000 0.359 890 F C 0.676 176.411 175.800 -0.108 0.000 1.147 890 F CA -0.235 57.602 58.000 -0.272 0.000 1.341 890 F CB 0.310 39.088 39.000 -0.370 0.000 1.104 890 F HN 0.237 nan 8.300 nan 0.000 0.603 891 D N 2.670 123.184 120.400 0.191 0.000 2.295 891 D HA 0.200 4.837 4.640 -0.004 0.000 0.248 891 D C -0.423 175.987 176.300 0.183 0.000 1.154 891 D CA -0.329 53.753 54.000 0.138 0.000 0.857 891 D CB 0.715 41.582 40.800 0.113 0.000 1.117 891 D HN 0.107 nan 8.370 nan 0.000 0.468 892 I N 2.587 123.247 120.570 0.150 0.000 2.301 892 I HA 0.182 4.349 4.170 -0.004 0.000 0.292 892 I C 0.712 176.935 176.117 0.177 0.000 1.046 892 I CA -0.427 60.995 61.300 0.202 0.000 1.282 892 I CB -0.062 37.953 38.000 0.025 0.000 1.409 892 I HN 0.198 nan 8.210 nan 0.000 0.484 893 R N 6.836 127.525 120.500 0.315 0.000 2.338 893 R HA 0.562 4.900 4.340 -0.004 0.000 0.317 893 R C -0.189 176.337 176.300 0.378 0.000 0.968 893 R CA -0.719 55.530 56.100 0.248 0.000 0.849 893 R CB 2.592 33.007 30.300 0.192 0.000 1.128 893 R HN 0.606 nan 8.270 nan 0.000 0.448 894 I N 2.160 122.875 120.570 0.242 0.000 2.315 894 I HA 0.189 4.357 4.170 -0.004 0.000 0.291 894 I C 0.787 177.021 176.117 0.195 0.000 1.006 894 I CA -0.142 61.336 61.300 0.295 0.000 1.265 894 I CB 1.326 39.415 38.000 0.147 0.000 1.387 894 I HN 0.762 nan 8.210 nan 0.000 0.475 895 S N 5.867 121.682 115.700 0.192 0.000 2.229 895 S HA 0.082 4.550 4.470 -0.004 0.000 0.221 895 S C 0.439 175.101 174.600 0.104 0.000 1.316 895 S CA -0.188 58.078 58.200 0.110 0.000 1.002 895 S CB -0.039 63.203 63.200 0.070 0.000 0.854 895 S HN 0.741 nan 8.310 nan 0.000 0.451 896 D N 0.646 121.094 120.400 0.080 0.000 2.406 896 D HA 0.069 4.707 4.640 -0.004 0.000 0.234 896 D C -0.242 176.120 176.300 0.104 0.000 1.196 896 D CA 0.768 54.815 54.000 0.077 0.000 0.881 896 D CB 0.279 41.115 40.800 0.060 0.000 1.205 896 D HN 0.550 nan 8.370 nan 0.000 0.453 897 I N 0.837 121.464 120.570 0.095 0.000 2.905 897 I HA 0.097 4.264 4.170 -0.004 0.000 0.297 897 I C -0.600 175.580 176.117 0.106 0.000 1.358 897 I CA -0.094 61.267 61.300 0.102 0.000 0.975 897 I CB 0.315 38.362 38.000 0.078 0.000 1.857 897 I HN 0.047 nan 8.210 nan 0.000 0.612 898 S N 4.798 120.578 115.700 0.134 0.000 2.638 898 S HA 0.637 5.104 4.470 -0.004 0.000 0.298 898 S C -1.992 172.700 174.600 0.153 0.000 1.111 898 S CA -1.503 56.802 58.200 0.176 0.000 1.027 898 S CB 1.561 64.908 63.200 0.245 0.000 1.064 898 S HN 0.436 nan 8.310 nan 0.000 0.525 899 P HA 0.197 nan 4.420 nan 0.000 0.255 899 P C -0.529 176.676 177.300 -0.159 0.000 1.301 899 P CA 0.035 63.101 63.100 -0.056 0.000 0.817 899 P CB -0.291 31.302 31.700 -0.178 0.000 1.259 900 F N 1.905 121.887 119.950 0.053 0.000 2.432 900 F HA 0.354 4.879 4.527 -0.004 0.000 0.329 900 F C 1.255 177.105 175.800 0.083 0.000 1.076 900 F CA -0.505 57.527 58.000 0.053 0.000 1.018 900 F CB 1.410 40.428 39.000 0.029 0.000 1.201 900 F HN -0.084 nan 8.300 nan 0.000 0.489 901 N N 0.456 119.352 118.700 0.327 0.000 2.405 901 N HA 0.446 5.184 4.740 -0.004 0.000 0.285 901 N C -1.791 173.873 175.510 0.255 0.000 1.262 901 N CA -1.120 52.081 53.050 0.253 0.000 0.773 901 N CB 2.120 40.744 38.487 0.227 0.000 1.490 901 N HN 0.450 nan 8.380 nan 0.000 0.486 902 K N 0.660 121.167 120.400 0.179 0.000 2.264 902 K HA 0.340 4.658 4.320 -0.004 0.000 0.277 902 K C -0.692 176.012 176.600 0.173 0.000 1.067 902 K CA -0.483 55.893 56.287 0.149 0.000 0.900 902 K CB 1.425 33.979 32.500 0.090 0.000 1.124 902 K HN 0.616 nan 8.250 nan 0.000 0.469 903 A N 3.556 126.507 122.820 0.217 0.000 2.347 903 A HA 0.406 4.723 4.320 -0.004 0.000 0.287 903 A C 0.186 177.957 177.584 0.310 0.000 1.199 903 A CA -0.448 51.749 52.037 0.266 0.000 0.851 903 A CB -0.095 19.086 19.000 0.302 0.000 1.118 903 A HN 0.552 nan 8.150 nan 0.000 0.525 904 V N 0.085 120.112 119.914 0.188 0.000 3.119 904 V HA 0.913 5.030 4.120 -0.004 0.000 0.309 904 V C -0.081 175.980 176.094 -0.055 0.000 1.304 904 V CA -0.560 61.828 62.300 0.146 0.000 1.057 904 V CB 1.434 33.303 31.823 0.076 0.000 1.150 904 V HN 0.690 nan 8.190 nan 0.000 0.474 905 T N 0.348 114.869 114.554 -0.054 0.000 2.928 905 T HA 0.633 4.981 4.350 -0.004 0.000 0.296 905 T C -1.534 173.105 174.700 -0.102 0.000 1.000 905 T CA -0.117 61.882 62.100 -0.170 0.000 0.989 905 T CB 1.299 70.074 68.868 -0.154 0.000 1.005 905 T HN 1.498 nan 8.240 nan 0.000 0.442 906 V N 7.076 126.918 119.914 -0.120 0.000 2.531 906 V HA 0.712 4.829 4.120 -0.004 0.000 0.301 906 V C -2.722 173.326 176.094 -0.077 0.000 1.034 906 V CA -2.523 59.729 62.300 -0.079 0.000 0.865 906 V CB 1.918 33.702 31.823 -0.064 0.000 0.995 906 V HN 0.657 nan 8.190 nan 0.000 0.424 907 P HA 0.183 nan 4.420 nan 0.000 0.265 907 P C -0.303 176.973 177.300 -0.039 0.000 1.187 907 P CA 0.404 63.477 63.100 -0.045 0.000 0.766 907 P CB 0.605 32.286 31.700 -0.030 0.000 0.820 908 K N 1.497 121.872 120.400 -0.042 0.000 2.864 908 K HA 0.127 4.445 4.320 -0.004 0.000 0.192 908 K C 0.172 176.746 176.600 -0.045 0.000 1.576 908 K CA 0.051 56.311 56.287 -0.044 0.000 1.283 908 K CB 0.385 32.857 32.500 -0.046 0.000 1.778 908 K HN 0.220 nan 8.250 nan 0.000 0.611 909 N N -0.669 118.014 118.700 -0.029 0.000 3.294 909 N HA 0.309 5.047 4.740 -0.004 0.000 0.355 909 N C -0.012 175.504 175.510 0.010 0.000 1.497 909 N CA -0.155 52.891 53.050 -0.006 0.000 0.707 909 N CB 1.737 40.233 38.487 0.015 0.000 1.732 909 N HN -0.020 nan 8.380 nan 0.000 0.640 910 S N -0.350 115.392 115.700 0.070 0.000 2.483 910 S HA 0.026 4.493 4.470 -0.004 0.000 0.221 910 S C 1.019 175.689 174.600 0.117 0.000 1.030 910 S CA 0.443 58.726 58.200 0.138 0.000 0.925 910 S CB 0.203 63.618 63.200 0.358 0.000 0.795 910 S HN 0.605 nan 8.310 nan 0.000 0.511 911 K N 0.672 121.121 120.400 0.081 0.000 2.374 911 K HA 0.331 4.649 4.320 -0.004 0.000 0.202 911 K C 0.205 176.827 176.600 0.037 0.000 1.040 911 K CA -0.008 56.315 56.287 0.060 0.000 1.085 911 K CB 0.761 33.294 32.500 0.055 0.000 0.873 911 K HN 0.059 nan 8.250 nan 0.000 0.539 912 T N -0.047 114.519 114.554 0.021 0.000 2.886 912 T HA 0.204 4.552 4.350 -0.004 0.000 0.330 912 T C -1.747 172.937 174.700 -0.027 0.000 1.488 912 T CA -0.730 61.369 62.100 -0.001 0.000 1.054 912 T CB 1.768 70.637 68.868 0.001 0.000 1.348 912 T HN 0.112 nan 8.240 nan 0.000 0.489 913 D N 0.982 121.345 120.400 -0.061 0.000 2.507 913 D HA 0.563 5.200 4.640 -0.004 0.000 0.280 913 D C -0.040 176.190 176.300 -0.116 0.000 1.219 913 D CA -0.406 53.537 54.000 -0.095 0.000 1.085 913 D CB 0.504 41.222 40.800 -0.136 0.000 1.134 913 D HN 0.332 nan 8.370 nan 0.000 0.583 914 R N -0.271 120.142 120.500 -0.147 0.000 2.513 914 R HA 0.452 4.790 4.340 -0.004 0.000 0.301 914 R C -1.341 174.823 176.300 -0.226 0.000 0.968 914 R CA -0.602 55.413 56.100 -0.143 0.000 0.872 914 R CB 0.871 31.119 30.300 -0.087 0.000 1.177 914 R HN 0.486 nan 8.270 nan 0.000 0.444 915 C N 4.839 123.990 119.300 -0.248 0.000 2.527 915 C HA 0.570 5.028 4.460 -0.004 0.000 0.396 915 C C 0.641 175.555 174.990 -0.126 0.000 1.289 915 C CA -0.523 58.299 59.018 -0.325 0.000 2.047 915 C CB -0.448 27.119 27.740 -0.289 0.000 2.568 915 C HN 0.718 nan 8.230 nan 0.000 0.573 916 I N 0.855 121.363 120.570 -0.104 0.000 3.279 916 I HA 0.722 4.889 4.170 -0.004 0.000 0.315 916 I C -0.929 175.205 176.117 0.027 0.000 1.187 916 I CA -0.580 60.705 61.300 -0.025 0.000 0.953 916 I CB 2.119 40.096 38.000 -0.038 0.000 1.279 916 I HN 0.711 nan 8.210 nan 0.000 0.465 917 A N 4.295 127.135 122.820 0.032 0.000 2.359 917 A HA 0.717 5.034 4.320 -0.004 0.000 0.303 917 A C -1.244 176.367 177.584 0.044 0.000 1.066 917 A CA -0.427 51.651 52.037 0.068 0.000 0.730 917 A CB 1.092 20.132 19.000 0.067 0.000 1.211 917 A HN 0.508 nan 8.150 nan 0.000 0.439 918 I N 2.663 123.272 120.570 0.064 0.000 2.315 918 I HA 0.269 4.437 4.170 -0.004 0.000 0.291 918 I C -0.046 176.109 176.117 0.063 0.000 1.006 918 I CA -0.338 60.989 61.300 0.045 0.000 1.265 918 I CB 1.318 39.341 38.000 0.038 0.000 1.387 918 I HN 0.612 nan 8.210 nan 0.000 0.475 919 E N 7.479 127.706 120.200 0.045 0.000 2.250 919 E HA 0.375 4.722 4.350 -0.004 0.000 0.269 919 E C -2.365 174.279 176.600 0.073 0.000 1.018 919 E CA -2.121 54.316 56.400 0.062 0.000 0.873 919 E CB 0.823 30.544 29.700 0.034 0.000 1.134 919 E HN 0.195 nan 8.360 nan 0.000 0.403 920 P HA -0.024 nan 4.420 nan 0.000 0.260 920 P C 0.827 178.202 177.300 0.125 0.000 1.185 920 P CA 0.442 63.614 63.100 0.121 0.000 0.763 920 P CB 0.343 32.140 31.700 0.162 0.000 0.776 921 G N 1.425 110.265 108.800 0.066 0.000 2.559 921 G HA2 -0.195 3.763 3.960 -0.004 0.000 0.216 921 G HA3 -0.195 3.763 3.960 -0.004 0.000 0.216 921 G C 0.934 175.938 174.900 0.172 0.000 1.126 921 G CA 0.014 45.148 45.100 0.057 0.000 0.778 921 G HN 0.503 nan 8.290 nan 0.000 0.543 922 W N 0.213 121.641 121.300 0.214 0.000 2.494 922 W HA 0.113 4.771 4.660 -0.004 0.000 0.286 922 W C 2.389 179.077 176.519 0.281 0.000 1.218 922 W CA -0.025 57.431 57.345 0.186 0.000 1.313 922 W CB 0.160 29.735 29.460 0.191 0.000 1.105 922 W HN 0.110 nan 8.180 nan 0.000 0.561 923 N N 0.158 119.132 118.700 0.457 0.000 2.036 923 N HA -0.239 4.498 4.740 -0.004 0.000 0.195 923 N C 1.785 177.434 175.510 0.232 0.000 1.037 923 N CA 1.865 55.101 53.050 0.310 0.000 0.855 923 N CB -0.653 37.939 38.487 0.174 0.000 1.033 923 N HN -0.067 nan 8.380 nan 0.000 0.423 924 M N -0.453 119.240 119.600 0.156 0.000 2.073 924 M HA -0.174 4.303 4.480 -0.004 0.000 0.258 924 M C 1.886 178.201 176.300 0.025 0.000 1.070 924 M CA 1.265 56.606 55.300 0.069 0.000 1.103 924 M CB -0.970 31.671 32.600 0.069 0.000 1.321 924 M HN 0.187 nan 8.290 nan 0.000 0.405 925 F N 0.351 120.171 119.950 -0.216 0.000 2.141 925 F HA -0.317 4.208 4.527 -0.004 0.000 0.300 925 F C 1.668 177.187 175.800 -0.469 0.000 1.079 925 F CA 1.890 59.549 58.000 -0.569 0.000 1.264 925 F CB -0.294 38.093 39.000 -1.021 0.000 1.011 925 F HN 0.033 nan 8.300 nan 0.000 0.487 926 F N -0.347 119.675 119.950 0.120 0.000 2.446 926 F HA 0.037 4.561 4.527 -0.004 0.000 0.292 926 F C 2.287 178.080 175.800 -0.011 0.000 1.096 926 F CA 0.550 58.568 58.000 0.029 0.000 1.438 926 F CB -0.872 38.124 39.000 -0.007 0.000 1.107 926 F HN -0.093 nan 8.300 nan 0.000 0.546 927 Q N 0.305 120.193 119.800 0.147 0.000 2.291 927 Q HA -0.093 4.245 4.340 -0.004 0.000 0.205 927 Q C 1.939 177.997 176.000 0.097 0.000 0.970 927 Q CA 1.029 56.908 55.803 0.127 0.000 0.876 927 Q CB -0.204 28.465 28.738 -0.115 0.000 0.935 927 Q HN 0.463 nan 8.270 nan 0.000 0.455 928 L N -0.289 120.935 121.223 0.001 0.000 2.492 928 L HA 0.030 4.367 4.340 -0.004 0.000 0.223 928 L C 2.100 178.971 176.870 0.002 0.000 1.132 928 L CA 0.431 55.261 54.840 -0.016 0.000 0.850 928 L CB -0.349 41.658 42.059 -0.085 0.000 0.966 928 L HN 0.302 nan 8.230 nan 0.000 0.454 929 G N 1.246 110.050 108.800 0.007 0.000 2.424 929 G HA2 -0.190 3.768 3.960 -0.004 0.000 0.214 929 G HA3 -0.190 3.768 3.960 -0.004 0.000 0.214 929 G C 1.509 176.461 174.900 0.087 0.000 1.202 929 G CA 0.672 45.809 45.100 0.061 0.000 0.793 929 G HN 0.291 nan 8.290 nan 0.000 0.534 930 I N 0.965 121.598 120.570 0.105 0.000 2.315 930 I HA 0.050 4.217 4.170 -0.004 0.000 0.248 930 I C 2.461 178.648 176.117 0.117 0.000 1.117 930 I CA 1.934 63.299 61.300 0.108 0.000 1.404 930 I CB -1.676 36.375 38.000 0.085 0.000 1.071 930 I HN 0.130 nan 8.210 nan 0.000 0.419 931 G N 1.280 110.166 108.800 0.144 0.000 2.475 931 G HA2 -0.218 3.739 3.960 -0.004 0.000 0.220 931 G HA3 -0.218 3.739 3.960 -0.004 0.000 0.220 931 G C 1.629 176.521 174.900 -0.013 0.000 1.125 931 G CA 0.931 46.098 45.100 0.112 0.000 0.755 931 G HN 0.586 nan 8.290 nan 0.000 0.565 932 G N 0.742 109.476 108.800 -0.110 0.000 2.426 932 G HA2 -0.030 3.928 3.960 -0.004 0.000 0.214 932 G HA3 -0.030 3.928 3.960 -0.004 0.000 0.214 932 G C 1.751 176.167 174.900 -0.807 0.000 1.156 932 G CA 0.695 45.543 45.100 -0.420 0.000 0.802 932 G HN 0.536 nan 8.290 nan 0.000 0.534 933 I N -0.216 120.047 120.570 -0.512 0.000 2.202 933 I HA -0.030 4.137 4.170 -0.004 0.000 0.242 933 I C 2.432 178.487 176.117 -0.104 0.000 1.091 933 I CA 0.926 62.084 61.300 -0.236 0.000 1.368 933 I CB -0.105 37.932 38.000 0.063 0.000 1.058 933 I HN 0.074 nan 8.210 nan 0.000 0.410 934 L N 0.782 121.979 121.223 -0.044 0.000 2.129 934 L HA -0.238 4.099 4.340 -0.004 0.000 0.212 934 L C 2.867 179.644 176.870 -0.156 0.000 1.087 934 L CA 1.619 56.382 54.840 -0.127 0.000 0.757 934 L CB -0.702 41.292 42.059 -0.109 0.000 0.896 934 L HN 0.355 nan 8.230 nan 0.000 0.434 935 R N -0.035 120.385 120.500 -0.133 0.000 2.092 935 R HA -0.156 4.181 4.340 -0.004 0.000 0.231 935 R C 1.748 177.998 176.300 -0.084 0.000 1.119 935 R CA 1.572 57.616 56.100 -0.093 0.000 0.970 935 R CB 0.026 30.292 30.300 -0.057 0.000 0.864 935 R HN 0.320 nan 8.270 nan 0.000 0.440 936 D N -0.367 119.971 120.400 -0.103 0.000 2.149 936 D HA -0.086 4.552 4.640 -0.004 0.000 0.201 936 D C 1.880 178.139 176.300 -0.067 0.000 0.972 936 D CA 0.922 54.896 54.000 -0.043 0.000 0.835 936 D CB 0.018 40.820 40.800 0.003 0.000 0.966 936 D HN 0.007 nan 8.370 nan 0.000 0.476 937 R N 0.090 120.516 120.500 -0.124 0.000 2.073 937 R HA 0.041 4.379 4.340 -0.004 0.000 0.229 937 R C 1.829 177.954 176.300 -0.291 0.000 1.120 937 R CA 0.284 56.266 56.100 -0.196 0.000 0.967 937 R CB -0.751 29.394 30.300 -0.258 0.000 0.862 937 R HN 0.087 nan 8.270 nan 0.000 0.436 938 L N 0.951 121.997 121.223 -0.294 0.000 2.447 938 L HA -0.087 4.250 4.340 -0.004 0.000 0.225 938 L C 1.812 178.614 176.870 -0.112 0.000 1.148 938 L CA 1.441 56.105 54.840 -0.294 0.000 0.808 938 L CB -0.567 41.375 42.059 -0.194 0.000 0.928 938 L HN 0.140 nan 8.230 nan 0.000 0.448 939 R N -2.015 118.444 120.500 -0.068 0.000 2.189 939 R HA -0.109 4.229 4.340 -0.004 0.000 0.223 939 R C 2.038 178.367 176.300 0.048 0.000 1.092 939 R CA 1.237 57.343 56.100 0.010 0.000 0.989 939 R CB -0.355 29.954 30.300 0.015 0.000 0.876 939 R HN 0.381 nan 8.270 nan 0.000 0.457 940 C N -1.010 118.302 119.300 0.021 0.000 2.522 940 C HA 0.008 4.466 4.460 -0.004 0.000 0.271 940 C C 1.006 176.207 174.990 0.352 0.000 1.425 940 C CA -0.318 58.772 59.018 0.120 0.000 1.751 940 C CB -0.946 26.839 27.740 0.076 0.000 1.775 940 C HN 0.569 nan 8.230 nan 0.000 0.557 941 W N 0.208 121.506 121.300 -0.004 0.000 3.123 941 W HA 0.382 5.039 4.660 -0.004 0.000 0.383 941 W C 1.565 178.088 176.519 0.007 0.000 1.102 941 W CA -0.000 57.344 57.345 -0.002 0.000 1.865 941 W CB -1.085 28.370 29.460 -0.008 0.000 1.111 941 W HN 0.394 nan 8.180 nan 0.000 0.621 942 G N 1.191 110.120 108.800 0.215 0.000 2.153 942 G HA2 -0.305 3.652 3.960 -0.004 0.000 0.252 942 G HA3 -0.305 3.652 3.960 -0.004 0.000 0.252 942 G C 0.112 175.090 174.900 0.131 0.000 0.994 942 G CA -0.082 45.099 45.100 0.134 0.000 0.698 942 G HN 0.199 nan 8.290 nan 0.000 0.521 943 I N 0.919 121.580 120.570 0.152 0.000 2.315 943 I HA 0.359 4.527 4.170 -0.004 0.000 0.291 943 I C -0.598 175.577 176.117 0.097 0.000 1.006 943 I CA -0.531 60.847 61.300 0.129 0.000 1.265 943 I CB 1.531 39.612 38.000 0.136 0.000 1.387 943 I HN 0.034 nan 8.210 nan 0.000 0.475 944 D N 7.373 127.846 120.400 0.122 0.000 2.462 944 D HA 0.277 4.914 4.640 -0.004 0.000 0.245 944 D C 0.341 176.761 176.300 0.201 0.000 1.122 944 D CA -0.403 53.672 54.000 0.124 0.000 0.864 944 D CB 1.429 42.292 40.800 0.106 0.000 1.098 944 D HN 0.430 nan 8.370 nan 0.000 0.541 945 L N 2.993 124.330 121.223 0.190 0.000 2.554 945 L HA 0.142 4.480 4.340 -0.004 0.000 0.226 945 L C 1.235 178.353 176.870 0.413 0.000 1.137 945 L CA 0.326 55.341 54.840 0.291 0.000 0.863 945 L CB -0.109 42.023 42.059 0.122 0.000 0.985 945 L HN 0.316 nan 8.230 nan 0.000 0.451 946 N N -0.898 117.964 118.700 0.271 0.000 2.412 946 N HA -0.057 4.680 4.740 -0.004 0.000 0.184 946 N C -0.005 175.627 175.510 0.204 0.000 1.101 946 N CA 0.112 53.297 53.050 0.224 0.000 0.881 946 N CB 0.345 38.914 38.487 0.137 0.000 0.969 946 N HN 0.067 nan 8.380 nan 0.000 0.459 947 D N 0.582 121.106 120.400 0.206 0.000 2.420 947 D HA 0.060 4.698 4.640 -0.004 0.000 0.255 947 D C 0.160 176.463 176.300 0.005 0.000 1.185 947 D CA -0.451 53.606 54.000 0.095 0.000 0.904 947 D CB 0.641 41.486 40.800 0.075 0.000 1.102 947 D HN 0.173 nan 8.370 nan 0.000 0.534 948 Q N 1.190 120.886 119.800 -0.174 0.000 2.403 948 Q HA 0.051 4.389 4.340 -0.004 0.000 0.203 948 Q C 0.929 176.821 176.000 -0.181 0.000 0.932 948 Q CA 0.155 55.695 55.803 -0.438 0.000 0.945 948 Q CB 0.189 28.411 28.738 -0.860 0.000 1.045 948 Q HN 0.181 nan 8.270 nan 0.000 0.511 949 T N 2.257 116.764 114.554 -0.078 0.000 2.777 949 T HA -0.078 4.269 4.350 -0.004 0.000 0.266 949 T C 1.682 176.373 174.700 -0.016 0.000 1.040 949 T CA 1.294 63.377 62.100 -0.028 0.000 1.141 949 T CB -0.176 68.687 68.868 -0.007 0.000 0.868 949 T HN 0.608 nan 8.240 nan 0.000 0.444 950 I N -0.695 119.870 120.570 -0.008 0.000 3.291 950 I HA 0.062 4.229 4.170 -0.004 0.000 0.279 950 I C 1.616 177.735 176.117 0.003 0.000 1.294 950 I CA 1.281 62.584 61.300 0.005 0.000 1.428 950 I CB -0.282 37.733 38.000 0.025 0.000 1.070 950 I HN 0.051 nan 8.210 nan 0.000 0.478 951 N N 0.983 119.676 118.700 -0.012 0.000 2.392 951 N HA -0.004 4.733 4.740 -0.004 0.000 0.177 951 N C 1.731 177.242 175.510 0.002 0.000 1.066 951 N CA 0.606 53.654 53.050 -0.002 0.000 0.895 951 N CB 0.176 38.655 38.487 -0.013 0.000 0.988 951 N HN 0.490 nan 8.380 nan 0.000 0.457 952 Q N -0.420 119.386 119.800 0.010 0.000 2.123 952 Q HA 0.123 4.461 4.340 -0.004 0.000 0.196 952 Q C 1.712 177.720 176.000 0.012 0.000 0.958 952 Q CA 0.651 56.503 55.803 0.081 0.000 0.841 952 Q CB 0.190 29.000 28.738 0.121 0.000 0.915 952 Q HN 0.257 nan 8.270 nan 0.000 0.455 953 R N 0.680 121.159 120.500 -0.034 0.000 2.073 953 R HA -0.055 4.282 4.340 -0.004 0.000 0.234 953 R C 2.161 178.410 176.300 -0.085 0.000 1.134 953 R CA 1.131 57.179 56.100 -0.086 0.000 0.952 953 R CB -0.188 30.083 30.300 -0.049 0.000 0.850 953 R HN 0.169 nan 8.270 nan 0.000 0.433 954 R N 0.411 120.877 120.500 -0.057 0.000 2.193 954 R HA -0.029 4.309 4.340 -0.004 0.000 0.229 954 R C 2.184 178.424 176.300 -0.099 0.000 1.110 954 R CA 1.034 57.096 56.100 -0.063 0.000 0.988 954 R CB -0.237 30.045 30.300 -0.031 0.000 0.871 954 R HN 0.206 nan 8.270 nan 0.000 0.458 955 A N 0.943 123.702 122.820 -0.103 0.000 1.929 955 A HA -0.184 4.133 4.320 -0.004 0.000 0.216 955 A C 2.042 179.461 177.584 -0.274 0.000 1.176 955 A CA 1.238 53.206 52.037 -0.115 0.000 0.628 955 A CB -0.655 18.353 19.000 0.013 0.000 0.816 955 A HN 0.396 nan 8.150 nan 0.000 0.444 956 H N 0.009 118.676 119.070 -0.672 0.000 2.299 956 H HA -0.134 4.420 4.556 -0.004 0.000 0.302 956 H C 2.018 177.094 175.328 -0.420 0.000 1.078 956 H CA 1.845 57.321 56.048 -0.952 0.000 1.323 956 H CB -0.344 28.638 29.762 -1.299 0.000 1.381 956 H HN 0.654 nan 8.280 nan 0.000 0.498 957 E N 0.383 120.349 120.200 -0.391 0.000 2.035 957 E HA -0.175 4.172 4.350 -0.004 0.000 0.204 957 E C 2.422 178.851 176.600 -0.285 0.000 1.025 957 E CA 1.662 57.877 56.400 -0.309 0.000 0.835 957 E CB -0.736 28.884 29.700 -0.132 0.000 0.764 957 E HN 0.582 nan 8.360 nan 0.000 0.457 958 G N -0.269 108.402 108.800 -0.215 0.000 2.537 958 G HA2 -0.297 3.661 3.960 -0.004 0.000 0.220 958 G HA3 -0.297 3.661 3.960 -0.004 0.000 0.220 958 G C 1.572 176.353 174.900 -0.199 0.000 1.111 958 G CA 1.258 46.255 45.100 -0.172 0.000 0.748 958 G HN 0.461 nan 8.290 nan 0.000 0.564 959 S N -0.748 114.792 115.700 -0.266 0.000 2.503 959 S HA 0.114 4.581 4.470 -0.004 0.000 0.215 959 S C 2.138 176.580 174.600 -0.263 0.000 1.003 959 S CA 0.801 58.844 58.200 -0.260 0.000 0.910 959 S CB 0.286 63.340 63.200 -0.244 0.000 0.790 959 S HN 0.523 nan 8.310 nan 0.000 0.514 960 V N 0.345 120.085 119.914 -0.290 0.000 2.403 960 V HA 0.069 4.186 4.120 -0.004 0.000 0.239 960 V C 2.239 178.229 176.094 -0.174 0.000 1.041 960 V CA 2.025 64.188 62.300 -0.230 0.000 1.051 960 V CB -1.185 30.488 31.823 -0.250 0.000 0.704 960 V HN 0.438 nan 8.190 nan 0.000 0.472 961 T N 0.040 114.492 114.554 -0.171 0.000 2.821 961 T HA -0.112 4.236 4.350 -0.004 0.000 0.267 961 T C 1.428 176.063 174.700 -0.108 0.000 1.046 961 T CA 1.532 63.558 62.100 -0.124 0.000 1.139 961 T CB -0.573 68.227 68.868 -0.113 0.000 0.871 961 T HN 0.742 nan 8.240 nan 0.000 0.454 962 N N 0.306 118.934 118.700 -0.119 0.000 2.828 962 N HA -0.173 4.565 4.740 -0.004 0.000 0.248 962 N C 0.356 175.821 175.510 -0.076 0.000 1.044 962 N CA 1.200 54.191 53.050 -0.098 0.000 0.851 962 N CB -1.660 36.772 38.487 -0.092 0.000 1.136 962 N HN 0.608 nan 8.380 nan 0.000 0.572 963 N N -0.542 118.113 118.700 -0.075 0.000 2.432 963 N HA 0.188 4.926 4.740 -0.004 0.000 0.174 963 N C 0.184 175.661 175.510 -0.056 0.000 1.037 963 N CA 0.209 53.222 53.050 -0.061 0.000 0.892 963 N CB 0.387 38.839 38.487 -0.058 0.000 1.049 963 N HN 0.170 nan 8.380 nan 0.000 0.442 964 L N 1.122 122.308 121.223 -0.062 0.000 2.312 964 L HA 0.559 4.896 4.340 -0.004 0.000 0.281 964 L C -0.091 176.752 176.870 -0.044 0.000 1.070 964 L CA -0.867 53.942 54.840 -0.051 0.000 0.805 964 L CB 1.259 43.285 42.059 -0.055 0.000 1.174 964 L HN 0.001 nan 8.230 nan 0.000 0.434 965 A N 1.471 124.275 122.820 -0.027 0.000 2.294 965 A HA 0.764 5.082 4.320 -0.004 0.000 0.330 965 A C -0.127 177.462 177.584 0.009 0.000 1.133 965 A CA -0.464 51.570 52.037 -0.005 0.000 0.836 965 A CB 1.262 20.258 19.000 -0.006 0.000 1.190 965 A HN 0.687 nan 8.150 nan 0.000 0.492 966 T N -0.884 113.698 114.554 0.046 0.000 2.779 966 T HA 0.599 4.947 4.350 -0.004 0.000 0.280 966 T C -0.306 174.434 174.700 0.066 0.000 0.987 966 T CA -0.305 61.830 62.100 0.058 0.000 0.966 966 T CB 0.646 69.556 68.868 0.071 0.000 0.933 966 T HN 1.778 nan 8.240 nan 0.000 0.442 967 V N 0.345 120.280 119.914 0.035 0.000 2.555 967 V HA 0.802 4.919 4.120 -0.004 0.000 0.302 967 V C -1.118 174.974 176.094 -0.002 0.000 1.038 967 V CA -0.831 61.476 62.300 0.011 0.000 0.887 967 V CB 1.572 33.404 31.823 0.016 0.000 0.991 967 V HN 1.030 nan 8.190 nan 0.000 0.434 968 D N 3.558 123.950 120.400 -0.013 0.000 2.362 968 D HA 0.626 5.264 4.640 -0.004 0.000 0.247 968 D C -0.909 175.350 176.300 -0.068 0.000 1.050 968 D CA -0.420 53.568 54.000 -0.019 0.000 0.839 968 D CB 1.843 42.668 40.800 0.041 0.000 1.283 968 D HN 0.781 nan 8.370 nan 0.000 0.477 969 L N 2.910 124.056 121.223 -0.129 0.000 2.317 969 L HA 0.392 4.729 4.340 -0.004 0.000 0.281 969 L C 1.117 177.938 176.870 -0.083 0.000 1.024 969 L CA -0.656 54.084 54.840 -0.167 0.000 0.810 969 L CB 1.747 43.563 42.059 -0.403 0.000 1.240 969 L HN 0.483 nan 8.230 nan 0.000 0.427 970 S N 1.913 117.587 115.700 -0.043 0.000 2.248 970 S HA 0.032 4.500 4.470 -0.004 0.000 0.186 970 S C 0.654 175.251 174.600 -0.005 0.000 1.369 970 S CA 0.504 58.701 58.200 -0.006 0.000 2.325 970 S CB -0.044 63.163 63.200 0.012 0.000 0.513 970 S HN 0.735 nan 8.310 nan 0.000 0.352 971 A N 0.049 122.874 122.820 0.009 0.000 2.524 971 A HA 0.553 4.871 4.320 -0.004 0.000 0.250 971 A C 0.621 178.202 177.584 -0.004 0.000 1.078 971 A CA 0.459 52.504 52.037 0.013 0.000 0.761 971 A CB -0.092 18.923 19.000 0.025 0.000 1.012 971 A HN 0.732 nan 8.150 nan 0.000 0.500 972 A N 1.621 124.439 122.820 -0.003 0.000 1.848 972 A HA 0.292 4.610 4.320 -0.004 0.000 0.184 972 A C 2.049 179.637 177.584 0.007 0.000 1.946 972 A CA 0.884 52.911 52.037 -0.016 0.000 1.093 972 A CB -0.973 18.028 19.000 0.002 0.000 1.014 972 A HN 1.476 nan 8.150 nan 0.000 0.638 973 S N 1.146 116.860 115.700 0.023 0.000 2.441 973 S HA -0.188 4.279 4.470 -0.004 0.000 0.242 973 S C 0.530 175.129 174.600 -0.002 0.000 1.018 973 S CA 1.729 59.937 58.200 0.013 0.000 0.988 973 S CB -0.482 62.737 63.200 0.032 0.000 0.778 973 S HN 0.514 nan 8.310 nan 0.000 0.498 974 D N 0.274 120.677 120.400 0.004 0.000 2.342 974 D HA 0.296 4.934 4.640 -0.004 0.000 0.221 974 D C 0.678 176.980 176.300 0.003 0.000 1.101 974 D CA 0.163 54.155 54.000 -0.014 0.000 0.837 974 D CB 0.490 41.283 40.800 -0.011 0.000 0.938 974 D HN 0.406 nan 8.370 nan 0.000 0.508 975 S N -0.188 115.546 115.700 0.056 0.000 2.687 975 S HA 0.190 4.658 4.470 -0.004 0.000 0.247 975 S C 0.744 175.478 174.600 0.222 0.000 1.050 975 S CA -0.386 57.895 58.200 0.135 0.000 1.063 975 S CB 1.100 64.427 63.200 0.211 0.000 1.039 975 S HN 0.058 nan 8.310 nan 0.000 0.580 976 I N 4.124 124.809 120.570 0.192 0.000 2.573 976 I HA 0.025 4.192 4.170 -0.004 0.000 0.295 976 I C 0.959 177.128 176.117 0.087 0.000 1.141 976 I CA 0.061 61.471 61.300 0.183 0.000 1.364 976 I CB -0.372 37.673 38.000 0.074 0.000 1.447 976 I HN 0.155 nan 8.210 nan 0.000 0.571 977 S N 5.268 120.994 115.700 0.045 0.000 2.608 977 S HA 0.323 4.791 4.470 -0.004 0.000 0.261 977 S C 1.203 175.830 174.600 0.046 0.000 1.314 977 S CA -0.681 57.529 58.200 0.016 0.000 0.992 977 S CB 0.909 64.078 63.200 -0.051 0.000 0.935 977 S HN 0.540 nan 8.310 nan 0.000 0.564 978 L N 0.973 122.245 121.223 0.082 0.000 2.056 978 L HA -0.023 4.315 4.340 -0.004 0.000 0.207 978 L C 3.036 179.972 176.870 0.109 0.000 1.078 978 L CA 1.489 56.440 54.840 0.184 0.000 0.749 978 L CB -1.124 41.076 42.059 0.236 0.000 0.901 978 L HN 0.947 nan 8.230 nan 0.000 0.433 979 A N 0.176 122.965 122.820 -0.052 0.000 1.849 979 A HA -0.281 4.037 4.320 -0.004 0.000 0.217 979 A C 2.202 179.676 177.584 -0.184 0.000 1.202 979 A CA 2.064 53.943 52.037 -0.264 0.000 0.629 979 A CB -1.023 17.616 19.000 -0.602 0.000 0.834 979 A HN 0.308 nan 8.150 nan 0.000 0.447 980 L N -0.130 120.996 121.223 -0.162 0.000 2.089 980 L HA -0.223 4.115 4.340 -0.004 0.000 0.213 980 L C 2.530 179.371 176.870 -0.048 0.000 1.079 980 L CA 2.028 56.797 54.840 -0.118 0.000 0.758 980 L CB -1.144 40.833 42.059 -0.137 0.000 0.891 980 L HN 0.524 nan 8.230 nan 0.000 0.433 981 C N 0.117 119.430 119.300 0.021 0.000 2.432 981 C HA -0.156 4.302 4.460 -0.004 0.000 0.277 981 C C 2.721 177.716 174.990 0.009 0.000 1.249 981 C CA 1.099 60.181 59.018 0.105 0.000 1.725 981 C CB -0.954 26.962 27.740 0.294 0.000 2.028 981 C HN 0.774 nan 8.230 nan 0.000 0.477 982 E N 0.466 120.490 120.200 -0.293 0.000 2.216 982 E HA -0.074 4.274 4.350 -0.004 0.000 0.192 982 E C 1.864 178.279 176.600 -0.307 0.000 0.988 982 E CA 0.791 56.745 56.400 -0.743 0.000 0.834 982 E CB -0.476 28.219 29.700 -1.675 0.000 0.772 982 E HN 0.577 nan 8.360 nan 0.000 0.479 983 L N 0.083 121.204 121.223 -0.169 0.000 2.187 983 L HA -0.143 4.195 4.340 -0.004 0.000 0.213 983 L C 2.091 178.922 176.870 -0.065 0.000 1.100 983 L CA 0.626 55.409 54.840 -0.094 0.000 0.765 983 L CB -0.164 41.842 42.059 -0.087 0.000 0.904 983 L HN 0.215 nan 8.230 nan 0.000 0.437 984 L N -1.518 119.675 121.223 -0.051 0.000 2.537 984 L HA 0.241 4.578 4.340 -0.004 0.000 0.224 984 L C 0.566 177.431 176.870 -0.009 0.000 1.065 984 L CA 0.657 55.488 54.840 -0.015 0.000 0.860 984 L CB 0.403 42.461 42.059 -0.000 0.000 1.086 984 L HN 0.005 nan 8.230 nan 0.000 0.482 985 L N 0.087 121.311 121.223 0.003 0.000 2.334 985 L HA 0.403 4.741 4.340 -0.004 0.000 0.275 985 L C -2.003 174.916 176.870 0.081 0.000 1.036 985 L CA -2.015 52.847 54.840 0.038 0.000 0.807 985 L CB 0.842 42.985 42.059 0.141 0.000 1.231 985 L HN -0.165 nan 8.230 nan 0.000 0.438 986 P HA 0.018 nan 4.420 nan 0.000 0.266 986 P C -2.149 175.295 177.300 0.241 0.000 1.193 986 P CA -0.802 62.400 63.100 0.170 0.000 0.770 986 P CB 0.106 31.960 31.700 0.257 0.000 0.836 987 P HA -0.133 nan 4.420 nan 0.000 0.217 987 P C 1.554 178.994 177.300 0.234 0.000 1.150 987 P CA 1.698 64.922 63.100 0.207 0.000 0.832 987 P CB -0.333 31.444 31.700 0.129 0.000 0.787 988 G N -1.163 107.750 108.800 0.188 0.000 2.469 988 G HA2 -0.257 3.700 3.960 -0.004 0.000 0.219 988 G HA3 -0.257 3.700 3.960 -0.004 0.000 0.219 988 G C 1.224 176.179 174.900 0.092 0.000 1.150 988 G CA 0.723 45.895 45.100 0.119 0.000 0.763 988 G HN 0.223 nan 8.290 nan 0.000 0.561 989 W N -0.151 121.188 121.300 0.064 0.000 2.380 989 W HA 0.123 4.781 4.660 -0.004 0.000 0.317 989 W C 2.269 178.816 176.519 0.047 0.000 1.196 989 W CA 0.800 58.165 57.345 0.033 0.000 1.307 989 W CB -0.972 28.495 29.460 0.011 0.000 1.157 989 W HN 0.148 nan 8.180 nan 0.000 0.483 990 F N 1.503 121.575 119.950 0.204 0.000 2.192 990 F HA -0.238 4.286 4.527 -0.004 0.000 0.301 990 F C 2.158 178.002 175.800 0.073 0.000 1.079 990 F CA 2.073 60.140 58.000 0.111 0.000 1.303 990 F CB -0.437 38.619 39.000 0.093 0.000 1.024 990 F HN -0.065 nan 8.300 nan 0.000 0.494 991 E N -0.155 120.067 120.200 0.037 0.000 2.015 991 E HA -0.221 4.127 4.350 -0.004 0.000 0.191 991 E C 2.415 178.948 176.600 -0.112 0.000 0.991 991 E CA 1.655 58.011 56.400 -0.074 0.000 0.802 991 E CB -0.731 28.993 29.700 0.041 0.000 0.759 991 E HN 0.350 nan 8.360 nan 0.000 0.447 992 V N 1.073 120.947 119.914 -0.066 0.000 2.828 992 V HA -0.200 3.917 4.120 -0.004 0.000 0.260 992 V C 1.961 177.977 176.094 -0.131 0.000 1.101 992 V CA 1.202 63.464 62.300 -0.063 0.000 1.123 992 V CB -0.181 31.584 31.823 -0.096 0.000 0.704 992 V HN 0.147 nan 8.190 nan 0.000 0.493 993 L N -0.560 120.563 121.223 -0.166 0.000 2.179 993 L HA 0.101 4.439 4.340 -0.004 0.000 0.208 993 L C 2.374 179.153 176.870 -0.152 0.000 1.096 993 L CA 1.692 56.422 54.840 -0.183 0.000 0.779 993 L CB -0.546 41.356 42.059 -0.262 0.000 0.922 993 L HN 0.257 nan 8.230 nan 0.000 0.443 994 M N -1.053 118.363 119.600 -0.308 0.000 2.200 994 M HA -0.123 4.354 4.480 -0.004 0.000 0.265 994 M C 1.697 177.941 176.300 -0.094 0.000 1.066 994 M CA 1.145 56.290 55.300 -0.257 0.000 1.127 994 M CB -1.011 31.360 32.600 -0.381 0.000 1.379 994 M HN 0.174 nan 8.290 nan 0.000 0.420 995 D N 0.448 120.806 120.400 -0.069 0.000 2.078 995 D HA -0.113 4.524 4.640 -0.004 0.000 0.193 995 D C 1.983 178.254 176.300 -0.048 0.000 0.990 995 D CA 1.155 55.147 54.000 -0.014 0.000 0.827 995 D CB -0.184 40.663 40.800 0.079 0.000 0.975 995 D HN 0.177 nan 8.370 nan 0.000 0.451 996 L N 0.496 121.665 121.223 -0.089 0.000 2.395 996 L HA 0.022 4.360 4.340 -0.004 0.000 0.218 996 L C 1.261 178.158 176.870 0.045 0.000 1.130 996 L CA 0.491 55.301 54.840 -0.050 0.000 0.826 996 L CB -0.767 41.280 42.059 -0.020 0.000 0.941 996 L HN 0.000 nan 8.230 nan 0.000 0.451 997 R N -0.407 120.138 120.500 0.074 0.000 2.641 997 R HA 0.126 4.464 4.340 -0.004 0.000 0.269 997 R C -0.241 176.091 176.300 0.054 0.000 1.074 997 R CA -0.039 56.101 56.100 0.066 0.000 1.133 997 R CB 0.551 30.915 30.300 0.106 0.000 1.029 997 R HN 0.008 nan 8.270 nan 0.000 0.488 998 S N 4.809 120.552 115.700 0.072 0.000 2.400 998 S HA 0.174 4.642 4.470 -0.004 0.000 0.295 998 S C -1.603 173.112 174.600 0.191 0.000 1.113 998 S CA -1.410 56.859 58.200 0.115 0.000 1.064 998 S CB 1.641 64.936 63.200 0.157 0.000 0.990 998 S HN 0.619 nan 8.310 nan 0.000 0.502 999 P HA 0.005 nan 4.420 nan 0.000 0.220 999 P C -0.021 177.208 177.300 -0.118 0.000 1.152 999 P CA 0.851 63.975 63.100 0.040 0.000 0.812 999 P CB 0.403 32.081 31.700 -0.038 0.000 0.792 1000 K N -0.590 119.610 120.400 -0.333 0.000 2.295 1000 K HA 0.648 4.965 4.320 -0.004 0.000 0.239 1000 K C 0.004 176.264 176.600 -0.567 0.000 0.991 1000 K CA -0.822 55.069 56.287 -0.659 0.000 0.845 1000 K CB 2.131 33.982 32.500 -1.080 0.000 1.197 1000 K HN -0.120 nan 8.250 nan 0.000 0.441 1001 G N 0.763 109.289 108.800 -0.456 0.000 2.591 1001 G HA2 0.466 4.424 3.960 -0.004 0.000 0.306 1001 G HA3 0.466 4.424 3.960 -0.004 0.000 0.306 1001 G C -1.539 173.577 174.900 0.359 0.000 1.334 1001 G CA -0.560 44.566 45.100 0.043 0.000 0.981 1001 G HN 0.361 nan 8.290 nan 0.000 0.491 1002 R N 2.038 122.763 120.500 0.374 0.000 2.215 1002 R HA 0.553 4.891 4.340 -0.004 0.000 0.336 1002 R C -0.382 175.940 176.300 0.037 0.000 0.996 1002 R CA -0.554 55.617 56.100 0.119 0.000 0.847 1002 R CB 0.360 30.631 30.300 -0.049 0.000 1.127 1002 R HN 0.290 nan 8.270 nan 0.000 0.465 1003 L N 6.671 127.857 121.223 -0.062 0.000 2.475 1003 L HA 0.405 4.743 4.340 -0.004 0.000 0.253 1003 L C -1.112 175.657 176.870 -0.168 0.000 1.198 1003 L CA -1.995 52.726 54.840 -0.198 0.000 0.814 1003 L CB 0.618 42.431 42.059 -0.411 0.000 1.134 1003 L HN 0.627 nan 8.230 nan 0.000 0.478 1004 P HA -0.102 nan 4.420 nan 0.000 0.223 1004 P C 0.022 177.232 177.300 -0.150 0.000 1.151 1004 P CA 0.870 63.909 63.100 -0.101 0.000 0.787 1004 P CB 0.303 31.998 31.700 -0.009 0.000 0.788 1005 D N -0.109 120.140 120.400 -0.252 0.000 2.332 1005 D HA 0.102 4.739 4.640 -0.004 0.000 0.244 1005 D C 1.748 177.956 176.300 -0.154 0.000 1.136 1005 D CA 0.957 54.829 54.000 -0.213 0.000 0.884 1005 D CB -0.661 39.966 40.800 -0.289 0.000 0.906 1005 D HN 0.242 nan 8.370 nan 0.000 0.520 1006 G N 0.673 109.390 108.800 -0.138 0.000 2.328 1006 G HA2 -0.355 3.603 3.960 -0.004 0.000 0.256 1006 G HA3 -0.355 3.603 3.960 -0.004 0.000 0.256 1006 G C 0.815 175.642 174.900 -0.122 0.000 1.014 1006 G CA 0.881 45.910 45.100 -0.118 0.000 0.620 1006 G HN 0.568 nan 8.290 nan 0.000 0.530 1007 S N -0.388 115.237 115.700 -0.125 0.000 2.640 1007 S HA 0.759 5.226 4.470 -0.004 0.000 0.262 1007 S C 0.332 174.900 174.600 -0.054 0.000 1.232 1007 S CA 0.128 58.274 58.200 -0.090 0.000 0.988 1007 S CB 1.830 64.975 63.200 -0.092 0.000 1.034 1007 S HN 1.762 nan 8.310 nan 0.000 0.569 1008 V N -1.417 118.500 119.914 0.005 0.000 2.914 1008 V HA 0.931 5.049 4.120 -0.004 0.000 0.314 1008 V C -0.261 175.871 176.094 0.063 0.000 1.084 1008 V CA -0.767 61.591 62.300 0.098 0.000 0.963 1008 V CB 0.840 32.769 31.823 0.177 0.000 1.025 1008 V HN 1.335 nan 8.190 nan 0.000 0.432 1009 V N -0.628 119.308 119.914 0.036 0.000 2.971 1009 V HA 0.921 5.038 4.120 -0.004 0.000 0.309 1009 V C -0.123 175.830 176.094 -0.236 0.000 1.130 1009 V CA -0.006 62.270 62.300 -0.041 0.000 0.964 1009 V CB 1.650 33.510 31.823 0.061 0.000 1.029 1009 V HN 1.362 nan 8.190 nan 0.000 0.427 1010 T N 0.913 115.360 114.554 -0.179 0.000 2.794 1010 T HA 0.649 4.997 4.350 -0.004 0.000 0.280 1010 T C -0.740 173.876 174.700 -0.140 0.000 0.987 1010 T CA -0.347 61.616 62.100 -0.229 0.000 0.993 1010 T CB 0.798 69.601 68.868 -0.108 0.000 0.939 1010 T HN 0.603 nan 8.240 nan 0.000 0.449 1011 Y N 2.353 122.668 120.300 0.026 0.000 2.465 1011 Y HA 0.267 4.814 4.550 -0.004 0.000 0.331 1011 Y C 1.546 177.462 175.900 0.027 0.000 1.102 1011 Y CA -0.656 57.465 58.100 0.035 0.000 1.358 1011 Y CB 0.820 39.307 38.460 0.045 0.000 1.213 1011 Y HN 0.824 nan 8.280 nan 0.000 0.525 1012 E N 1.962 122.280 120.200 0.198 0.000 2.122 1012 E HA -0.049 4.298 4.350 -0.004 0.000 0.190 1012 E C 0.629 177.286 176.600 0.096 0.000 0.977 1012 E CA 0.444 56.910 56.400 0.110 0.000 0.820 1012 E CB 0.172 29.906 29.700 0.058 0.000 0.770 1012 E HN 0.623 nan 8.360 nan 0.000 0.462 1013 K N 0.204 120.653 120.400 0.081 0.000 2.136 1013 K HA 0.018 4.335 4.320 -0.004 0.000 0.237 1013 K C 0.999 177.639 176.600 0.067 0.000 1.048 1013 K CA -0.209 56.101 56.287 0.039 0.000 0.880 1013 K CB 0.453 32.934 32.500 -0.031 0.000 1.105 1013 K HN -0.005 nan 8.250 nan 0.000 0.507 1014 I N -0.356 120.247 120.570 0.055 0.000 3.708 1014 I HA -0.047 4.120 4.170 -0.004 0.000 0.302 1014 I C -0.023 176.132 176.117 0.063 0.000 1.255 1014 I CA 0.619 61.978 61.300 0.098 0.000 1.362 1014 I CB 0.279 38.361 38.000 0.136 0.000 1.100 1014 I HN 0.946 nan 8.210 nan 0.000 0.434 1015 S N -0.570 115.114 115.700 -0.026 0.000 2.688 1015 S HA 0.401 4.869 4.470 -0.004 0.000 0.266 1015 S C -0.852 173.665 174.600 -0.139 0.000 1.061 1015 S CA -0.385 57.756 58.200 -0.099 0.000 0.844 1015 S CB 1.192 64.383 63.200 -0.016 0.000 1.103 1015 S HN 0.140 nan 8.310 nan 0.000 0.471 1016 S N 1.309 116.916 115.700 -0.154 0.000 2.632 1016 S HA 0.716 5.183 4.470 -0.004 0.000 0.289 1016 S C -0.458 174.104 174.600 -0.064 0.000 1.115 1016 S CA -1.024 57.110 58.200 -0.110 0.000 0.889 1016 S CB 1.256 64.375 63.200 -0.135 0.000 1.116 1016 S HN 0.911 nan 8.310 nan 0.000 0.486 1017 M N 1.622 121.207 119.600 -0.026 0.000 2.249 1017 M HA 0.335 4.813 4.480 -0.004 0.000 0.340 1017 M C 1.386 177.665 176.300 -0.035 0.000 1.166 1017 M CA 2.014 57.305 55.300 -0.015 0.000 1.115 1017 M CB -0.059 32.541 32.600 0.001 0.000 1.606 1017 M HN 1.383 nan 8.290 nan 0.000 0.448 1018 G N 3.426 112.199 108.800 -0.045 0.000 2.278 1018 G HA2 -0.216 3.741 3.960 -0.004 0.000 0.210 1018 G HA3 -0.216 3.741 3.960 -0.004 0.000 0.210 1018 G C 0.279 175.134 174.900 -0.075 0.000 1.000 1018 G CA -0.039 45.031 45.100 -0.050 0.000 0.635 1018 G HN 0.711 nan 8.290 nan 0.000 0.495 1019 N N 1.802 120.430 118.700 -0.120 0.000 2.520 1019 N HA 0.383 5.120 4.740 -0.004 0.000 0.273 1019 N C 1.630 177.004 175.510 -0.227 0.000 1.155 1019 N CA 0.812 53.728 53.050 -0.225 0.000 0.967 1019 N CB 1.079 39.351 38.487 -0.359 0.000 1.092 1019 N HN 0.326 nan 8.380 nan 0.000 0.457 1020 G N 2.454 111.120 108.800 -0.223 0.000 2.498 1020 G HA2 -0.244 3.713 3.960 -0.004 0.000 0.219 1020 G HA3 -0.244 3.713 3.960 -0.004 0.000 0.219 1020 G C 0.717 175.613 174.900 -0.007 0.000 1.119 1020 G CA 1.097 46.138 45.100 -0.098 0.000 0.766 1020 G HN 0.804 nan 8.290 nan 0.000 0.552 1021 Y N -2.667 117.650 120.300 0.029 0.000 2.500 1021 Y HA 0.367 4.914 4.550 -0.004 0.000 0.246 1021 Y C 2.017 177.935 175.900 0.030 0.000 1.146 1021 Y CA -0.084 58.036 58.100 0.034 0.000 1.230 1021 Y CB -0.638 37.843 38.460 0.035 0.000 1.214 1021 Y HN -0.025 nan 8.280 nan 0.000 0.526 1022 T N 0.702 115.361 114.554 0.175 0.000 2.699 1022 T HA -0.246 4.102 4.350 -0.004 0.000 0.268 1022 T C 1.535 176.326 174.700 0.150 0.000 1.036 1022 T CA 2.283 64.487 62.100 0.174 0.000 1.147 1022 T CB -0.554 68.330 68.868 0.026 0.000 0.862 1022 T HN 0.433 nan 8.240 nan 0.000 0.446 1023 F N 1.673 121.616 119.950 -0.012 0.000 2.102 1023 F HA 0.009 4.534 4.527 -0.004 0.000 0.298 1023 F C 2.151 177.905 175.800 -0.076 0.000 1.105 1023 F CA 1.802 59.765 58.000 -0.062 0.000 1.239 1023 F CB -0.397 38.549 39.000 -0.090 0.000 0.991 1023 F HN 0.222 nan 8.300 nan 0.000 0.474 1024 E N 0.111 120.282 120.200 -0.048 0.000 2.152 1024 E HA -0.127 4.220 4.350 -0.004 0.000 0.192 1024 E C 1.934 178.421 176.600 -0.188 0.000 0.983 1024 E CA 1.032 57.322 56.400 -0.183 0.000 0.818 1024 E CB -0.580 29.086 29.700 -0.057 0.000 0.758 1024 E HN 0.404 nan 8.360 nan 0.000 0.467 1025 L N 1.381 122.549 121.223 -0.091 0.000 2.201 1025 L HA -0.112 4.226 4.340 -0.004 0.000 0.212 1025 L C 1.976 178.705 176.870 -0.235 0.000 1.105 1025 L CA 1.723 56.482 54.840 -0.135 0.000 0.775 1025 L CB -0.326 41.703 42.059 -0.050 0.000 0.913 1025 L HN 0.224 nan 8.230 nan 0.000 0.440 1026 E N -2.060 117.965 120.200 -0.291 0.000 2.170 1026 E HA -0.098 4.250 4.350 -0.004 0.000 0.191 1026 E C 1.978 178.235 176.600 -0.571 0.000 0.981 1026 E CA 0.947 56.999 56.400 -0.580 0.000 0.830 1026 E CB -0.416 29.000 29.700 -0.473 0.000 0.775 1026 E HN 0.370 nan 8.360 nan 0.000 0.470 1027 S N 1.330 116.811 115.700 -0.365 0.000 2.351 1027 S HA -0.173 4.294 4.470 -0.004 0.000 0.220 1027 S C 1.932 176.468 174.600 -0.107 0.000 1.035 1027 S CA 1.473 59.533 58.200 -0.234 0.000 1.031 1027 S CB -0.430 62.526 63.200 -0.407 0.000 0.928 1027 S HN 0.382 nan 8.310 nan 0.000 0.433 1028 L N 1.399 122.518 121.223 -0.173 0.000 2.042 1028 L HA -0.033 4.304 4.340 -0.004 0.000 0.210 1028 L C 2.006 178.866 176.870 -0.018 0.000 1.076 1028 L CA 1.596 56.361 54.840 -0.124 0.000 0.749 1028 L CB -0.367 41.534 42.059 -0.264 0.000 0.893 1028 L HN 0.314 nan 8.230 nan 0.000 0.432 1029 I N -1.054 119.433 120.570 -0.138 0.000 2.226 1029 I HA -0.317 3.851 4.170 -0.004 0.000 0.245 1029 I C 2.160 178.331 176.117 0.091 0.000 1.100 1029 I CA 1.625 62.878 61.300 -0.079 0.000 1.374 1029 I CB -0.271 37.606 38.000 -0.205 0.000 1.057 1029 I HN 0.250 nan 8.210 nan 0.000 0.413 1030 F N 0.369 120.383 119.950 0.107 0.000 2.146 1030 F HA -0.184 4.340 4.527 -0.004 0.000 0.298 1030 F C 2.639 178.570 175.800 0.219 0.000 1.096 1030 F CA 0.628 58.724 58.000 0.161 0.000 1.275 1030 F CB -0.382 38.625 39.000 0.012 0.000 1.008 1030 F HN 0.033 nan 8.300 nan 0.000 0.480 1031 A N 0.364 123.411 122.820 0.379 0.000 1.877 1031 A HA -0.223 4.094 4.320 -0.004 0.000 0.216 1031 A C 2.316 180.054 177.584 0.255 0.000 1.186 1031 A CA 2.112 54.352 52.037 0.338 0.000 0.620 1031 A CB -1.191 18.094 19.000 0.475 0.000 0.822 1031 A HN 0.411 nan 8.150 nan 0.000 0.443 1032 S N -0.376 115.556 115.700 0.386 0.000 2.356 1032 S HA -0.143 4.324 4.470 -0.004 0.000 0.223 1032 S C 1.808 176.478 174.600 0.116 0.000 1.032 1032 S CA 1.578 59.903 58.200 0.207 0.000 1.005 1032 S CB -0.675 62.761 63.200 0.394 0.000 0.867 1032 S HN 0.197 nan 8.310 nan 0.000 0.449 1033 L N 2.399 123.757 121.223 0.226 0.000 2.013 1033 L HA 0.009 4.347 4.340 -0.004 0.000 0.212 1033 L C 3.079 180.016 176.870 0.110 0.000 1.073 1033 L CA 1.732 56.707 54.840 0.224 0.000 0.753 1033 L CB -1.680 40.663 42.059 0.473 0.000 0.890 1033 L HN 0.499 nan 8.230 nan 0.000 0.432 1034 A N -1.082 121.820 122.820 0.136 0.000 1.873 1034 A HA -0.198 4.120 4.320 -0.004 0.000 0.215 1034 A C 2.445 180.002 177.584 -0.046 0.000 1.186 1034 A CA 1.454 53.505 52.037 0.024 0.000 0.616 1034 A CB -0.442 18.606 19.000 0.079 0.000 0.823 1034 A HN 0.361 nan 8.150 nan 0.000 0.442 1035 R N -0.362 120.089 120.500 -0.081 0.000 2.091 1035 R HA -0.089 4.249 4.340 -0.004 0.000 0.238 1035 R C 2.485 178.696 176.300 -0.149 0.000 1.136 1035 R CA 1.553 57.545 56.100 -0.179 0.000 0.959 1035 R CB -0.403 29.666 30.300 -0.384 0.000 0.856 1035 R HN 0.491 nan 8.270 nan 0.000 0.437 1036 S N 0.201 115.837 115.700 -0.106 0.000 2.399 1036 S HA -0.083 4.385 4.470 -0.004 0.000 0.231 1036 S C 1.998 176.556 174.600 -0.071 0.000 1.022 1036 S CA 0.930 59.084 58.200 -0.076 0.000 0.983 1036 S CB -0.003 63.179 63.200 -0.030 0.000 0.803 1036 S HN 0.091 nan 8.310 nan 0.000 0.480 1037 V N 0.629 120.498 119.914 -0.074 0.000 2.379 1037 V HA -0.193 3.925 4.120 -0.004 0.000 0.245 1037 V C 2.438 178.481 176.094 -0.084 0.000 1.044 1037 V CA 1.251 63.500 62.300 -0.085 0.000 1.036 1037 V CB -0.752 31.003 31.823 -0.114 0.000 0.664 1037 V HN 0.579 nan 8.190 nan 0.000 0.453 1038 C N -0.142 119.105 119.300 -0.089 0.000 2.367 1038 C HA -0.266 4.192 4.460 -0.004 0.000 0.276 1038 C C 2.788 177.729 174.990 -0.081 0.000 1.195 1038 C CA 1.939 60.906 59.018 -0.086 0.000 1.756 1038 C CB -0.911 26.772 27.740 -0.095 0.000 2.046 1038 C HN 0.702 nan 8.230 nan 0.000 0.453 1039 E N 0.133 120.281 120.200 -0.088 0.000 2.085 1039 E HA -0.175 4.173 4.350 -0.004 0.000 0.194 1039 E C 1.945 178.505 176.600 -0.068 0.000 0.994 1039 E CA 1.081 57.434 56.400 -0.079 0.000 0.801 1039 E CB -0.159 29.490 29.700 -0.084 0.000 0.743 1039 E HN 0.547 nan 8.360 nan 0.000 0.453 1040 I N 0.837 121.367 120.570 -0.066 0.000 2.657 1040 I HA -0.230 3.937 4.170 -0.004 0.000 0.261 1040 I C 1.551 177.632 176.117 -0.060 0.000 1.212 1040 I CA 1.177 62.440 61.300 -0.062 0.000 1.453 1040 I CB -0.138 37.826 38.000 -0.060 0.000 1.092 1040 I HN 0.325 nan 8.210 nan 0.000 0.452 1041 L N -0.823 120.363 121.223 -0.062 0.000 2.858 1041 L HA 0.161 4.498 4.340 -0.004 0.000 0.251 1041 L C 0.422 177.259 176.870 -0.054 0.000 1.149 1041 L CA -0.001 54.804 54.840 -0.057 0.000 0.955 1041 L CB 0.288 42.311 42.059 -0.060 0.000 1.289 1041 L HN 0.090 nan 8.230 nan 0.000 0.542 1042 D N 0.885 121.252 120.400 -0.055 0.000 3.068 1042 D HA -0.152 4.485 4.640 -0.004 0.000 0.218 1042 D C -0.193 176.076 176.300 -0.052 0.000 1.145 1042 D CA 0.804 54.773 54.000 -0.051 0.000 0.896 1042 D CB -1.039 39.734 40.800 -0.045 0.000 1.105 1042 D HN 0.166 nan 8.370 nan 0.000 0.423 1043 L N 0.123 121.312 121.223 -0.057 0.000 2.387 1043 L HA 0.450 4.787 4.340 -0.004 0.000 0.266 1043 L C 0.841 177.673 176.870 -0.063 0.000 1.059 1043 L CA -0.856 53.949 54.840 -0.057 0.000 0.801 1043 L CB 0.603 42.627 42.059 -0.059 0.000 1.223 1043 L HN -0.196 nan 8.230 nan 0.000 0.456 1044 D N -0.024 120.340 120.400 -0.059 0.000 2.401 1044 D HA 0.048 4.686 4.640 -0.004 0.000 0.254 1044 D C 0.846 177.097 176.300 -0.081 0.000 1.192 1044 D CA 0.440 54.401 54.000 -0.064 0.000 0.885 1044 D CB 1.194 41.963 40.800 -0.052 0.000 1.147 1044 D HN 0.441 nan 8.370 nan 0.000 0.478 1045 S N 0.892 116.527 115.700 -0.108 0.000 2.419 1045 S HA -0.176 4.292 4.470 -0.004 0.000 0.233 1045 S C 2.018 176.543 174.600 -0.125 0.000 1.016 1045 S CA 0.718 58.828 58.200 -0.151 0.000 0.974 1045 S CB -0.030 63.035 63.200 -0.225 0.000 0.786 1045 S HN 0.504 nan 8.310 nan 0.000 0.492 1046 S N 0.809 116.456 115.700 -0.089 0.000 2.442 1046 S HA -0.092 4.376 4.470 -0.004 0.000 0.236 1046 S C 1.632 176.212 174.600 -0.033 0.000 1.007 1046 S CA 0.826 58.995 58.200 -0.051 0.000 0.965 1046 S CB -0.200 62.978 63.200 -0.036 0.000 0.773 1046 S HN 0.379 nan 8.310 nan 0.000 0.504 1047 E N 0.761 120.936 120.200 -0.041 0.000 2.435 1047 E HA 0.074 4.421 4.350 -0.004 0.000 0.195 1047 E C 0.662 177.249 176.600 -0.021 0.000 1.029 1047 E CA 0.118 56.499 56.400 -0.030 0.000 0.865 1047 E CB -0.145 29.532 29.700 -0.038 0.000 0.833 1047 E HN 0.469 nan 8.360 nan 0.000 0.510 1048 V N 0.744 120.643 119.914 -0.025 0.000 2.432 1048 V HA 0.382 4.500 4.120 -0.004 0.000 0.271 1048 V C -0.358 175.758 176.094 0.037 0.000 1.046 1048 V CA 0.101 62.400 62.300 -0.001 0.000 0.945 1048 V CB 1.393 33.209 31.823 -0.012 0.000 0.992 1048 V HN -0.057 nan 8.190 nan 0.000 0.471 1049 T N 5.088 119.676 114.554 0.057 0.000 2.893 1049 T HA 0.708 5.055 4.350 -0.004 0.000 0.293 1049 T C -1.276 173.489 174.700 0.109 0.000 1.027 1049 T CA -0.321 61.831 62.100 0.086 0.000 0.988 1049 T CB 1.547 70.455 68.868 0.067 0.000 1.043 1049 T HN 0.772 nan 8.240 nan 0.000 0.461 1050 V N 4.105 124.103 119.914 0.140 0.000 2.888 1050 V HA 0.581 4.699 4.120 -0.004 0.000 0.309 1050 V C -1.754 174.453 176.094 0.189 0.000 1.114 1050 V CA -0.805 61.586 62.300 0.151 0.000 0.940 1050 V CB 2.298 34.213 31.823 0.153 0.000 1.021 1050 V HN 0.889 nan 8.190 nan 0.000 0.426 1051 Y N 3.451 123.771 120.300 0.032 0.000 2.400 1051 Y HA 0.583 5.131 4.550 -0.004 0.000 0.335 1051 Y C 0.597 176.499 175.900 0.003 0.000 1.066 1051 Y CA 0.605 58.725 58.100 0.033 0.000 1.285 1051 Y CB 1.212 39.751 38.460 0.132 0.000 1.103 1051 Y HN 1.058 nan 8.280 nan 0.000 0.490 1052 G N 4.320 112.777 108.800 -0.572 0.000 2.596 1052 G HA2 -0.393 3.564 3.960 -0.004 0.000 0.304 1052 G HA3 -0.393 3.564 3.960 -0.004 0.000 0.304 1052 G C 0.373 175.294 174.900 0.034 0.000 1.189 1052 G CA 0.762 45.607 45.100 -0.424 0.000 0.986 1052 G HN 0.848 nan 8.290 nan 0.000 0.548 1053 D N 0.997 121.469 120.400 0.120 0.000 2.427 1053 D HA 0.262 4.900 4.640 -0.004 0.000 0.224 1053 D C -0.063 176.195 176.300 -0.071 0.000 1.157 1053 D CA 0.340 54.337 54.000 -0.005 0.000 0.828 1053 D CB 0.280 41.073 40.800 -0.012 0.000 0.974 1053 D HN 0.280 nan 8.370 nan 0.000 0.498 1054 D N 0.982 121.419 120.400 0.062 0.000 2.454 1054 D HA 0.297 4.934 4.640 -0.004 0.000 0.225 1054 D C -0.597 175.748 176.300 0.076 0.000 1.081 1054 D CA -0.483 53.574 54.000 0.094 0.000 0.864 1054 D CB 0.604 41.534 40.800 0.216 0.000 1.040 1054 D HN 0.155 nan 8.370 nan 0.000 0.517 1055 I N 3.881 124.462 120.570 0.017 0.000 2.378 1055 I HA 0.315 4.483 4.170 -0.004 0.000 0.291 1055 I C -0.303 175.838 176.117 0.040 0.000 0.992 1055 I CA -0.859 60.462 61.300 0.034 0.000 1.154 1055 I CB 1.729 39.734 38.000 0.009 0.000 1.315 1055 I HN 0.166 nan 8.210 nan 0.000 0.448 1056 I N 7.597 128.194 120.570 0.046 0.000 2.389 1056 I HA 0.520 4.688 4.170 -0.004 0.000 0.288 1056 I C -0.317 175.809 176.117 0.016 0.000 0.999 1056 I CA -0.406 60.909 61.300 0.025 0.000 1.129 1056 I CB 1.411 39.423 38.000 0.020 0.000 1.288 1056 I HN 0.405 nan 8.210 nan 0.000 0.444 1057 L N 5.477 126.698 121.223 -0.003 0.000 2.491 1057 L HA 0.849 5.186 4.340 -0.004 0.000 0.254 1057 L C -2.854 173.997 176.870 -0.031 0.000 1.048 1057 L CA -2.096 52.733 54.840 -0.018 0.000 0.855 1057 L CB 2.358 44.402 42.059 -0.026 0.000 1.466 1057 L HN 0.151 nan 8.230 nan 0.000 0.409 1058 P HA 0.075 nan 4.420 nan 0.000 0.266 1058 P C 0.191 177.464 177.300 -0.046 0.000 1.195 1058 P CA 0.036 63.109 63.100 -0.044 0.000 0.768 1058 P CB 0.972 32.643 31.700 -0.047 0.000 0.838 1059 S N 1.165 116.838 115.700 -0.044 0.000 2.474 1059 S HA -0.096 4.371 4.470 -0.004 0.000 0.235 1059 S C 1.568 176.140 174.600 -0.046 0.000 0.997 1059 S CA 0.876 59.051 58.200 -0.042 0.000 0.949 1059 S CB -0.763 62.414 63.200 -0.039 0.000 0.766 1059 S HN 0.560 nan 8.310 nan 0.000 0.517 1060 C N 1.471 120.742 119.300 -0.049 0.000 2.514 1060 C HA 0.336 4.794 4.460 -0.004 0.000 0.271 1060 C C 2.644 177.599 174.990 -0.058 0.000 1.399 1060 C CA 0.093 59.081 59.018 -0.050 0.000 1.765 1060 C CB -1.404 26.308 27.740 -0.047 0.000 1.893 1060 C HN 0.686 nan 8.230 nan 0.000 0.531 1061 A N -0.236 122.545 122.820 -0.065 0.000 2.218 1061 A HA 0.150 4.468 4.320 -0.004 0.000 0.209 1061 A C 2.045 179.570 177.584 -0.099 0.000 1.168 1061 A CA 0.724 52.711 52.037 -0.082 0.000 0.804 1061 A CB -0.263 18.687 19.000 -0.084 0.000 0.834 1061 A HN 0.323 nan 8.150 nan 0.000 0.482 1062 V N 1.310 121.174 119.914 -0.083 0.000 2.307 1062 V HA -0.098 4.020 4.120 -0.004 0.000 0.245 1062 V C -0.322 175.717 176.094 -0.092 0.000 1.045 1062 V CA 2.362 64.608 62.300 -0.089 0.000 1.024 1062 V CB -0.903 30.883 31.823 -0.062 0.000 0.651 1062 V HN 0.440 nan 8.190 nan 0.000 0.449 1063 P HA -0.048 nan 4.420 nan 0.000 0.223 1063 P C 1.332 178.589 177.300 -0.072 0.000 1.151 1063 P CA 1.672 64.735 63.100 -0.061 0.000 0.787 1063 P CB 0.106 31.778 31.700 -0.047 0.000 0.788 1064 A N -0.099 122.666 122.820 -0.091 0.000 1.878 1064 A HA -0.063 4.255 4.320 -0.004 0.000 0.213 1064 A C 2.159 179.650 177.584 -0.156 0.000 1.192 1064 A CA 0.730 52.707 52.037 -0.101 0.000 0.619 1064 A CB -1.521 17.422 19.000 -0.095 0.000 0.837 1064 A HN 0.075 nan 8.150 nan 0.000 0.446 1065 L N 0.203 121.290 121.223 -0.227 0.000 1.997 1065 L HA -0.216 4.121 4.340 -0.004 0.000 0.216 1065 L C 2.524 179.139 176.870 -0.426 0.000 1.074 1065 L CA 2.155 56.725 54.840 -0.451 0.000 0.763 1065 L CB -0.632 41.137 42.059 -0.483 0.000 0.890 1065 L HN 0.371 nan 8.230 nan 0.000 0.434 1066 R N -0.947 119.436 120.500 -0.195 0.000 2.103 1066 R HA -0.226 4.112 4.340 -0.004 0.000 0.242 1066 R C 2.328 178.641 176.300 0.022 0.000 1.142 1066 R CA 1.882 57.962 56.100 -0.032 0.000 0.960 1066 R CB -0.370 29.926 30.300 -0.007 0.000 0.858 1066 R HN 0.525 nan 8.270 nan 0.000 0.439 1067 E N 0.123 120.313 120.200 -0.018 0.000 2.107 1067 E HA -0.129 4.219 4.350 -0.004 0.000 0.191 1067 E C 1.929 178.565 176.600 0.060 0.000 0.982 1067 E CA 0.929 57.343 56.400 0.024 0.000 0.809 1067 E CB 0.231 29.928 29.700 -0.005 0.000 0.756 1067 E HN 0.123 nan 8.360 nan 0.000 0.459 1068 V N 1.069 120.982 119.914 -0.000 0.000 2.295 1068 V HA -0.239 3.878 4.120 -0.004 0.000 0.246 1068 V C 2.161 178.401 176.094 0.243 0.000 1.049 1068 V CA 1.509 63.842 62.300 0.056 0.000 1.024 1068 V CB -0.572 31.222 31.823 -0.048 0.000 0.648 1068 V HN 0.266 nan 8.190 nan 0.000 0.447 1069 F N 0.801 120.834 119.950 0.139 0.000 2.069 1069 F HA -0.171 4.354 4.527 -0.004 0.000 0.298 1069 F C 2.423 178.276 175.800 0.087 0.000 1.113 1069 F CA 1.749 59.864 58.000 0.191 0.000 1.214 1069 F CB -1.149 38.026 39.000 0.291 0.000 0.978 1069 F HN 0.141 nan 8.300 nan 0.000 0.474 1070 K N -0.705 119.872 120.400 0.294 0.000 2.160 1070 K HA -0.285 4.032 4.320 -0.004 0.000 0.206 1070 K C 2.241 178.908 176.600 0.111 0.000 1.047 1070 K CA 1.650 58.036 56.287 0.165 0.000 0.930 1070 K CB -0.581 31.998 32.500 0.132 0.000 0.720 1070 K HN 0.354 nan 8.250 nan 0.000 0.450 1071 Y N 0.767 121.080 120.300 0.022 0.000 2.184 1071 Y HA -0.148 4.399 4.550 -0.004 0.000 0.290 1071 Y C 1.748 177.593 175.900 -0.091 0.000 1.129 1071 Y CA 1.518 59.604 58.100 -0.023 0.000 1.144 1071 Y CB 0.131 38.585 38.460 -0.011 0.000 0.995 1071 Y HN -0.009 nan 8.280 nan 0.000 0.513 1072 V N -1.280 118.567 119.914 -0.111 0.000 3.630 1072 V HA 0.466 4.584 4.120 -0.004 0.000 0.273 1072 V C 1.143 176.919 176.094 -0.531 0.000 1.248 1072 V CA 1.019 63.107 62.300 -0.354 0.000 1.170 1072 V CB -0.586 31.045 31.823 -0.320 0.000 0.899 1072 V HN 0.716 nan 8.190 nan 0.000 0.457 1073 G N 0.142 108.724 108.800 -0.364 0.000 3.102 1073 G HA2 -0.206 3.751 3.960 -0.004 0.000 0.200 1073 G HA3 -0.206 3.751 3.960 -0.004 0.000 0.200 1073 G C 0.046 174.912 174.900 -0.057 0.000 1.685 1073 G CA -0.220 44.733 45.100 -0.245 0.000 1.299 1073 G HN 0.570 nan 8.290 nan 0.000 0.576 1074 F N 2.356 122.309 119.950 0.005 0.000 2.406 1074 F HA 0.219 4.743 4.527 -0.004 0.000 0.388 1074 F C 1.278 177.087 175.800 0.015 0.000 0.948 1074 F CA 1.213 59.199 58.000 -0.025 0.000 1.182 1074 F CB 0.271 39.171 39.000 -0.168 0.000 0.890 1074 F HN 0.303 nan 8.300 nan 0.000 0.570 1075 T N 2.539 117.215 114.554 0.203 0.000 2.772 1075 T HA 0.241 4.588 4.350 -0.004 0.000 0.288 1075 T C -0.293 174.458 174.700 0.086 0.000 0.994 1075 T CA -0.674 61.501 62.100 0.123 0.000 0.951 1075 T CB 0.836 69.752 68.868 0.080 0.000 0.933 1075 T HN 0.752 nan 8.240 nan 0.000 0.447 1076 T N 4.048 118.667 114.554 0.108 0.000 2.817 1076 T HA 0.295 4.643 4.350 -0.004 0.000 0.293 1076 T C 0.305 175.023 174.700 0.030 0.000 0.964 1076 T CA -0.602 61.548 62.100 0.082 0.000 1.085 1076 T CB 0.079 69.039 68.868 0.153 0.000 0.921 1076 T HN 0.752 nan 8.240 nan 0.000 0.502 1077 N N 4.011 122.710 118.700 -0.001 0.000 2.508 1077 N HA 0.027 4.764 4.740 -0.004 0.000 0.253 1077 N C 1.597 177.070 175.510 -0.061 0.000 1.145 1077 N CA -0.171 52.868 53.050 -0.019 0.000 0.973 1077 N CB 0.492 38.971 38.487 -0.014 0.000 1.305 1077 N HN 0.818 nan 8.380 nan 0.000 0.506 1078 T N 2.417 116.939 114.554 -0.054 0.000 2.803 1078 T HA -0.106 4.242 4.350 -0.004 0.000 0.269 1078 T C 1.500 176.103 174.700 -0.162 0.000 1.052 1078 T CA 1.198 63.243 62.100 -0.092 0.000 1.136 1078 T CB 0.026 68.862 68.868 -0.053 0.000 0.864 1078 T HN 0.411 nan 8.240 nan 0.000 0.467 1079 K N 0.365 120.694 120.400 -0.117 0.000 2.365 1079 K HA 0.105 4.423 4.320 -0.004 0.000 0.199 1079 K C 1.852 178.310 176.600 -0.236 0.000 1.045 1079 K CA 0.781 56.996 56.287 -0.120 0.000 0.962 1079 K CB 0.052 32.550 32.500 -0.003 0.000 0.759 1079 K HN 0.396 nan 8.250 nan 0.000 0.469 1080 K N 0.691 120.939 120.400 -0.254 0.000 2.438 1080 K HA 0.030 4.348 4.320 -0.004 0.000 0.206 1080 K C -0.149 176.220 176.600 -0.385 0.000 1.081 1080 K CA -0.024 56.122 56.287 -0.235 0.000 1.053 1080 K CB 1.186 33.722 32.500 0.060 0.000 0.908 1080 K HN 0.078 nan 8.250 nan 0.000 0.556 1081 T N -1.221 113.062 114.554 -0.452 0.000 2.799 1081 T HA 0.467 4.815 4.350 -0.004 0.000 0.286 1081 T C -0.320 174.053 174.700 -0.545 0.000 0.973 1081 T CA -0.512 61.396 62.100 -0.319 0.000 1.035 1081 T CB 0.393 69.174 68.868 -0.146 0.000 0.932 1081 T HN -0.107 nan 8.240 nan 0.000 0.469 1082 F N 2.457 122.407 119.950 0.000 0.000 2.445 1082 F HA 0.422 4.946 4.527 -0.004 0.000 0.348 1082 F C 1.139 176.909 175.800 -0.050 0.000 1.125 1082 F CA -0.993 56.990 58.000 -0.029 0.000 0.983 1082 F CB 2.144 41.153 39.000 0.014 0.000 1.198 1082 F HN 0.809 nan 8.300 nan 0.000 0.436 1083 S N -0.107 115.641 115.700 0.079 0.000 2.629 1083 S HA 0.127 4.595 4.470 -0.004 0.000 0.236 1083 S C 0.654 175.258 174.600 0.006 0.000 1.010 1083 S CA 0.268 58.481 58.200 0.021 0.000 0.981 1083 S CB -0.136 63.054 63.200 -0.016 0.000 0.919 1083 S HN 0.834 nan 8.310 nan 0.000 0.514 1084 E N 0.052 120.266 120.200 0.024 0.000 2.624 1084 E HA 0.253 4.600 4.350 -0.004 0.000 0.192 1084 E C 1.046 177.628 176.600 -0.029 0.000 0.961 1084 E CA 0.076 56.469 56.400 -0.011 0.000 1.632 1084 E CB -0.572 29.119 29.700 -0.017 0.000 2.082 1084 E HN 0.286 nan 8.360 nan 0.000 1.040 1085 G N 2.004 110.795 108.800 -0.015 0.000 2.489 1085 G HA2 0.252 4.210 3.960 -0.004 0.000 0.271 1085 G HA3 0.252 4.210 3.960 -0.004 0.000 0.271 1085 G C -1.408 173.400 174.900 -0.154 0.000 1.427 1085 G CA -0.313 44.746 45.100 -0.068 0.000 1.057 1085 G HN 0.093 nan 8.290 nan 0.000 0.532 1086 P HA 0.102 nan 4.420 nan 0.000 0.245 1086 P C -0.326 176.667 177.300 -0.511 0.000 1.212 1086 P CA 0.355 63.139 63.100 -0.527 0.000 0.774 1086 P CB 0.120 31.204 31.700 -1.027 0.000 0.999 1087 F N 1.464 121.129 119.950 -0.476 0.000 2.495 1087 F HA 0.602 5.127 4.527 -0.004 0.000 0.327 1087 F C -0.302 175.253 175.800 -0.408 0.000 1.103 1087 F CA -1.050 56.707 58.000 -0.405 0.000 0.949 1087 F CB 1.407 40.217 39.000 -0.317 0.000 1.142 1087 F HN -0.382 nan 8.300 nan 0.000 0.457 1088 R N 3.305 123.163 120.500 -1.071 0.000 2.837 1088 R HA 0.483 4.820 4.340 -0.004 0.000 0.271 1088 R C -1.468 174.238 176.300 -0.990 0.000 0.993 1088 R CA -1.024 54.600 56.100 -0.793 0.000 0.931 1088 R CB 1.855 31.968 30.300 -0.313 0.000 1.206 1088 R HN 0.797 nan 8.270 nan 0.000 0.474 1089 E N -0.603 119.329 120.200 -0.447 0.000 2.290 1089 E HA 0.510 4.857 4.350 -0.004 0.000 0.274 1089 E C -1.568 174.987 176.600 -0.075 0.000 0.889 1089 E CA -0.624 55.611 56.400 -0.275 0.000 0.760 1089 E CB 2.190 31.737 29.700 -0.255 0.000 1.206 1089 E HN 0.371 nan 8.360 nan 0.000 0.419 1090 S N 2.971 118.647 115.700 -0.040 0.000 2.649 1090 S HA 0.403 4.870 4.470 -0.004 0.000 0.274 1090 S C -0.676 173.940 174.600 0.026 0.000 1.176 1090 S CA -0.224 57.987 58.200 0.017 0.000 0.988 1090 S CB 0.414 63.633 63.200 0.032 0.000 1.071 1090 S HN 1.092 nan 8.310 nan 0.000 0.478 1091 C N 3.719 123.040 119.300 0.036 0.000 4.300 1091 C HA -0.043 4.415 4.460 -0.004 0.000 0.304 1091 C C 1.783 176.804 174.990 0.052 0.000 1.367 1091 C CA 0.886 59.915 59.018 0.019 0.000 2.032 1091 C CB -2.448 25.225 27.740 -0.113 0.000 1.285 1091 C HN 2.101 nan 8.230 nan 0.000 0.737 1092 G N -0.894 107.961 108.800 0.092 0.000 2.284 1092 G HA2 -0.263 3.695 3.960 -0.004 0.000 0.247 1092 G HA3 -0.263 3.695 3.960 -0.004 0.000 0.247 1092 G C 0.031 175.096 174.900 0.275 0.000 1.012 1092 G CA 0.813 46.033 45.100 0.201 0.000 0.618 1092 G HN 0.591 nan 8.290 nan 0.000 0.521 1093 K N 1.346 121.841 120.400 0.159 0.000 2.172 1093 K HA 0.697 5.015 4.320 -0.004 0.000 0.276 1093 K C -0.532 176.092 176.600 0.040 0.000 1.013 1093 K CA -0.480 55.884 56.287 0.128 0.000 0.913 1093 K CB 0.796 33.387 32.500 0.151 0.000 1.055 1093 K HN 0.507 nan 8.250 nan 0.000 0.461 1094 H N 1.613 120.592 119.070 -0.152 0.000 2.547 1094 H HA 0.396 4.950 4.556 -0.004 0.000 0.342 1094 H C -1.023 174.153 175.328 -0.253 0.000 1.048 1094 H CA -0.405 55.628 56.048 -0.025 0.000 1.204 1094 H CB 0.670 30.687 29.762 0.426 0.000 1.493 1094 H HN 0.444 nan 8.280 nan 0.000 0.511 1095 Y N 1.207 121.480 120.300 -0.046 0.000 2.485 1095 Y HA 0.344 4.892 4.550 -0.004 0.000 0.345 1095 Y C -0.913 175.017 175.900 0.049 0.000 0.998 1095 Y CA -1.008 57.117 58.100 0.042 0.000 1.059 1095 Y CB 1.885 40.350 38.460 0.009 0.000 1.234 1095 Y HN 0.601 nan 8.280 nan 0.000 0.461 1096 Y N 1.077 121.492 120.300 0.192 0.000 2.332 1096 Y HA 0.325 4.873 4.550 -0.004 0.000 0.326 1096 Y C 0.526 176.445 175.900 0.030 0.000 0.978 1096 Y CA -0.648 57.488 58.100 0.060 0.000 1.205 1096 Y CB 1.279 39.747 38.460 0.014 0.000 1.131 1096 Y HN 0.792 nan 8.280 nan 0.000 0.462 1097 S N 3.696 119.259 115.700 -0.228 0.000 3.402 1097 S HA -0.272 4.196 4.470 -0.004 0.000 0.329 1097 S C 1.153 175.723 174.600 -0.050 0.000 1.194 1097 S CA 1.679 59.775 58.200 -0.172 0.000 0.951 1097 S CB -1.581 61.538 63.200 -0.137 0.000 0.975 1097 S HN 1.814 nan 8.310 nan 0.000 0.574 1098 G N -1.615 107.186 108.800 0.001 0.000 2.218 1098 G HA2 -0.198 3.759 3.960 -0.004 0.000 0.216 1098 G HA3 -0.198 3.759 3.960 -0.004 0.000 0.216 1098 G C 0.139 175.243 174.900 0.341 0.000 0.994 1098 G CA 0.073 45.203 45.100 0.049 0.000 0.637 1098 G HN 1.915 nan 8.290 nan 0.000 0.505 1099 V N -0.467 119.623 119.914 0.293 0.000 2.465 1099 V HA 0.691 4.809 4.120 -0.004 0.000 0.279 1099 V C 0.184 176.444 176.094 0.276 0.000 1.045 1099 V CA -0.843 61.613 62.300 0.261 0.000 0.938 1099 V CB 1.850 33.780 31.823 0.177 0.000 0.986 1099 V HN 0.207 nan 8.190 nan 0.000 0.467 1100 D N 3.745 124.245 120.400 0.167 0.000 2.401 1100 D HA 0.133 4.771 4.640 -0.004 0.000 0.254 1100 D C 0.634 176.930 176.300 -0.007 0.000 1.192 1100 D CA 0.470 54.445 54.000 -0.041 0.000 0.885 1100 D CB 1.620 42.370 40.800 -0.083 0.000 1.147 1100 D HN 0.929 nan 8.370 nan 0.000 0.478 1101 V N 1.590 121.543 119.914 0.064 0.000 2.991 1101 V HA 0.232 4.350 4.120 -0.004 0.000 0.355 1101 V C 0.624 176.906 176.094 0.314 0.000 1.384 1101 V CA -0.480 61.950 62.300 0.218 0.000 1.171 1101 V CB -0.117 31.951 31.823 0.407 0.000 1.190 1101 V HN 0.536 nan 8.190 nan 0.000 0.540 1102 T N 4.415 119.074 114.554 0.174 0.000 2.817 1102 T HA 0.340 4.688 4.350 -0.004 0.000 0.295 1102 T C -1.439 173.379 174.700 0.197 0.000 0.958 1102 T CA -0.475 61.720 62.100 0.157 0.000 1.157 1102 T CB 0.747 69.736 68.868 0.203 0.000 0.898 1102 T HN 0.619 nan 8.240 nan 0.000 0.536 1103 P HA 0.419 nan 4.420 nan 0.000 0.293 1103 P C -0.726 176.481 177.300 -0.156 0.000 1.304 1103 P CA -0.687 62.312 63.100 -0.168 0.000 0.767 1103 P CB 0.631 31.906 31.700 -0.708 0.000 1.247 1104 F N -2.181 117.467 119.950 -0.503 0.000 2.618 1104 F HA 0.735 5.260 4.527 -0.004 0.000 0.332 1104 F C -1.042 174.383 175.800 -0.624 0.000 1.061 1104 F CA -1.356 56.424 58.000 -0.366 0.000 0.974 1104 F CB 0.965 39.868 39.000 -0.162 0.000 1.310 1104 F HN 0.139 nan 8.300 nan 0.000 0.491 1105 Y N 1.270 121.559 120.300 -0.018 0.000 2.425 1105 Y HA 0.553 5.100 4.550 -0.004 0.000 0.344 1105 Y C -0.265 175.620 175.900 -0.026 0.000 0.969 1105 Y CA -1.266 56.763 58.100 -0.117 0.000 1.052 1105 Y CB 2.035 40.447 38.460 -0.080 0.000 1.215 1105 Y HN 0.425 nan 8.280 nan 0.000 0.451 1106 I N 4.160 124.767 120.570 0.061 0.000 2.282 1106 I HA 0.337 4.505 4.170 -0.004 0.000 0.290 1106 I C 0.510 176.685 176.117 0.096 0.000 1.090 1106 I CA -0.274 61.073 61.300 0.078 0.000 1.231 1106 I CB 1.002 39.013 38.000 0.019 0.000 1.434 1106 I HN 0.761 nan 8.210 nan 0.000 0.487 1107 R N 2.964 123.421 120.500 -0.073 0.000 2.161 1107 R HA 0.119 4.457 4.340 -0.004 0.000 0.213 1107 R C 0.127 176.147 176.300 -0.466 0.000 1.055 1107 R CA 0.658 56.560 56.100 -0.329 0.000 0.996 1107 R CB 0.106 30.031 30.300 -0.625 0.000 0.901 1107 R HN 0.577 nan 8.270 nan 0.000 0.456 1108 H N 0.078 119.149 119.070 0.001 0.000 2.690 1108 H HA 0.249 4.803 4.556 -0.004 0.000 0.368 1108 H C -0.625 174.694 175.328 -0.016 0.000 1.150 1108 H CA -1.230 54.735 56.048 -0.139 0.000 1.174 1108 H CB 1.348 31.067 29.762 -0.072 0.000 1.684 1108 H HN -0.095 nan 8.280 nan 0.000 0.538 1109 R N 1.995 122.466 120.500 -0.048 0.000 2.494 1109 R HA 0.017 4.355 4.340 -0.004 0.000 0.291 1109 R C 0.022 176.408 176.300 0.143 0.000 0.953 1109 R CA 0.020 56.193 56.100 0.121 0.000 1.098 1109 R CB -0.039 30.263 30.300 0.004 0.000 0.911 1109 R HN 0.628 nan 8.270 nan 0.000 0.407 1110 I N 6.556 127.220 120.570 0.157 0.000 2.304 1110 I HA 0.113 4.281 4.170 -0.004 0.000 0.291 1110 I C 0.471 176.635 176.117 0.078 0.000 1.018 1110 I CA -0.374 60.992 61.300 0.111 0.000 1.260 1110 I CB 1.282 39.340 38.000 0.097 0.000 1.390 1110 I HN 0.733 nan 8.210 nan 0.000 0.475 1111 V N 2.889 122.842 119.914 0.065 0.000 3.431 1111 V HA 0.289 4.407 4.120 -0.004 0.000 0.255 1111 V C 0.592 176.705 176.094 0.031 0.000 1.403 1111 V CA 0.786 63.115 62.300 0.049 0.000 1.101 1111 V CB -0.055 31.797 31.823 0.049 0.000 0.891 1111 V HN 0.736 nan 8.190 nan 0.000 0.446 1112 S N -0.004 115.712 115.700 0.027 0.000 2.681 1112 S HA 0.680 5.148 4.470 -0.004 0.000 0.299 1112 S C -1.850 172.684 174.600 -0.111 0.000 1.113 1112 S CA -1.124 57.046 58.200 -0.050 0.000 1.013 1112 S CB 1.539 64.714 63.200 -0.043 0.000 1.076 1112 S HN 0.083 nan 8.310 nan 0.000 0.534 1113 P HA -0.047 nan 4.420 nan 0.000 0.218 1113 P C 1.526 178.717 177.300 -0.181 0.000 1.148 1113 P CA 1.960 64.950 63.100 -0.182 0.000 0.822 1113 P CB -0.231 31.332 31.700 -0.228 0.000 0.784 1114 A N -0.023 122.624 122.820 -0.289 0.000 1.877 1114 A HA -0.242 4.075 4.320 -0.004 0.000 0.216 1114 A C 1.950 179.526 177.584 -0.013 0.000 1.186 1114 A CA 2.288 54.242 52.037 -0.139 0.000 0.620 1114 A CB -1.524 17.432 19.000 -0.074 0.000 0.822 1114 A HN 0.106 nan 8.150 nan 0.000 0.443 1115 D N -0.111 120.297 120.400 0.014 0.000 2.106 1115 D HA -0.167 4.470 4.640 -0.004 0.000 0.191 1115 D C 1.895 178.226 176.300 0.050 0.000 0.997 1115 D CA 1.126 55.165 54.000 0.065 0.000 0.834 1115 D CB -0.428 40.421 40.800 0.082 0.000 0.956 1115 D HN 0.368 nan 8.370 nan 0.000 0.448 1116 L N 0.399 121.635 121.223 0.021 0.000 1.989 1116 L HA -0.189 4.148 4.340 -0.004 0.000 0.211 1116 L C 2.348 179.233 176.870 0.025 0.000 1.071 1116 L CA 1.191 56.045 54.840 0.024 0.000 0.749 1116 L CB -0.267 41.797 42.059 0.009 0.000 0.890 1116 L HN 0.096 nan 8.230 nan 0.000 0.431 1117 I N -0.666 119.908 120.570 0.007 0.000 2.194 1117 I HA -0.369 3.799 4.170 -0.004 0.000 0.246 1117 I C 2.482 178.630 176.117 0.051 0.000 1.093 1117 I CA 1.067 62.379 61.300 0.020 0.000 1.355 1117 I CB -0.276 37.723 38.000 -0.002 0.000 1.046 1117 I HN 0.310 nan 8.210 nan 0.000 0.413 1118 L N 0.650 121.907 121.223 0.055 0.000 1.956 1118 L HA -0.231 4.106 4.340 -0.004 0.000 0.216 1118 L C 2.509 179.424 176.870 0.074 0.000 1.073 1118 L CA 1.965 56.849 54.840 0.072 0.000 0.762 1118 L CB -0.660 41.454 42.059 0.091 0.000 0.889 1118 L HN -0.014 nan 8.230 nan 0.000 0.433 1119 V N -0.217 119.747 119.914 0.083 0.000 2.231 1119 V HA -0.379 3.739 4.120 -0.004 0.000 0.248 1119 V C 2.612 178.750 176.094 0.073 0.000 1.054 1119 V CA 2.331 64.685 62.300 0.090 0.000 1.015 1119 V CB -0.752 31.125 31.823 0.090 0.000 0.638 1119 V HN 0.495 nan 8.190 nan 0.000 0.444 1120 L N -0.110 121.176 121.223 0.105 0.000 2.043 1120 L HA -0.278 4.059 4.340 -0.004 0.000 0.212 1120 L C 2.327 179.394 176.870 0.328 0.000 1.075 1120 L CA 2.276 57.245 54.840 0.214 0.000 0.752 1120 L CB -0.839 41.278 42.059 0.096 0.000 0.891 1120 L HN 0.501 nan 8.230 nan 0.000 0.432 1121 N N -0.211 118.602 118.700 0.189 0.000 2.142 1121 N HA -0.166 4.572 4.740 -0.004 0.000 0.186 1121 N C 1.500 177.049 175.510 0.065 0.000 1.023 1121 N CA 1.222 54.362 53.050 0.150 0.000 0.852 1121 N CB -0.128 38.399 38.487 0.067 0.000 0.998 1121 N HN 0.427 nan 8.380 nan 0.000 0.424 1122 N N 0.593 119.251 118.700 -0.070 0.000 2.223 1122 N HA -0.119 4.618 4.740 -0.004 0.000 0.185 1122 N C 1.603 176.670 175.510 -0.738 0.000 1.016 1122 N CA 0.331 53.195 53.050 -0.310 0.000 0.863 1122 N CB 0.035 38.348 38.487 -0.291 0.000 0.983 1122 N HN 0.125 nan 8.380 nan 0.000 0.429 1123 L N 0.084 120.959 121.223 -0.580 0.000 2.109 1123 L HA -0.089 4.248 4.340 -0.004 0.000 0.207 1123 L C 1.915 178.762 176.870 -0.037 0.000 1.086 1123 L CA 1.369 55.972 54.840 -0.394 0.000 0.760 1123 L CB -0.761 41.360 42.059 0.103 0.000 0.910 1123 L HN 0.170 nan 8.230 nan 0.000 0.437 1124 Y N 0.395 120.638 120.300 -0.096 0.000 2.145 1124 Y HA -0.268 4.279 4.550 -0.004 0.000 0.286 1124 Y C 2.666 178.287 175.900 -0.464 0.000 1.145 1124 Y CA 2.041 59.889 58.100 -0.420 0.000 1.148 1124 Y CB -0.094 38.270 38.460 -0.160 0.000 0.981 1124 Y HN 0.118 nan 8.280 nan 0.000 0.507 1125 R N -1.399 119.084 120.500 -0.029 0.000 2.090 1125 R HA -0.191 4.147 4.340 -0.004 0.000 0.228 1125 R C 1.958 178.189 176.300 -0.116 0.000 1.110 1125 R CA 1.515 57.582 56.100 -0.056 0.000 0.973 1125 R CB -0.870 29.463 30.300 0.055 0.000 0.869 1125 R HN 0.577 nan 8.270 nan 0.000 0.440 1126 W N 0.298 121.438 121.300 -0.267 0.000 2.825 1126 W HA -0.006 4.652 4.660 -0.004 0.000 0.243 1126 W C 1.046 177.459 176.519 -0.177 0.000 1.293 1126 W CA 1.020 58.270 57.345 -0.159 0.000 1.403 1126 W CB 0.337 29.766 29.460 -0.052 0.000 1.134 1126 W HN 0.046 nan 8.180 nan 0.000 0.666 1127 A N -1.008 121.687 122.820 -0.209 0.000 2.600 1127 A HA 0.276 4.593 4.320 -0.004 0.000 0.252 1127 A C 0.383 177.617 177.584 -0.583 0.000 1.200 1127 A CA 0.013 51.870 52.037 -0.299 0.000 0.981 1127 A CB -0.047 19.002 19.000 0.083 0.000 1.207 1127 A HN -0.039 nan 8.150 nan 0.000 0.577 1128 T N 0.508 114.596 114.554 -0.776 0.000 2.837 1128 T HA 0.513 4.861 4.350 -0.004 0.000 0.285 1128 T C -0.632 173.797 174.700 -0.452 0.000 0.984 1128 T CA 0.190 61.806 62.100 -0.807 0.000 1.049 1128 T CB 0.505 68.673 68.868 -1.166 0.000 0.947 1128 T HN 0.053 nan 8.240 nan 0.000 0.472 1129 I N 4.535 124.908 120.570 -0.329 0.000 2.661 1129 I HA 0.283 4.451 4.170 -0.004 0.000 0.292 1129 I C 0.002 176.029 176.117 -0.151 0.000 1.189 1129 I CA 0.013 61.191 61.300 -0.202 0.000 1.123 1129 I CB -0.003 37.909 38.000 -0.146 0.000 1.709 1129 I HN 0.635 nan 8.210 nan 0.000 0.566 1130 D N 4.121 124.425 120.400 -0.160 0.000 3.092 1130 D HA -0.129 4.509 4.640 -0.004 0.000 0.253 1130 D C 1.127 177.379 176.300 -0.080 0.000 1.063 1130 D CA 1.076 55.024 54.000 -0.087 0.000 0.886 1130 D CB -0.923 39.857 40.800 -0.032 0.000 1.021 1130 D HN 0.881 nan 8.370 nan 0.000 0.425 1131 G N -0.511 108.213 108.800 -0.127 0.000 2.196 1131 G HA2 -0.265 3.692 3.960 -0.004 0.000 0.268 1131 G HA3 -0.265 3.692 3.960 -0.004 0.000 0.268 1131 G C 0.397 175.221 174.900 -0.126 0.000 0.975 1131 G CA 0.561 45.620 45.100 -0.069 0.000 0.648 1131 G HN 1.089 nan 8.290 nan 0.000 0.538 1132 V N -0.005 119.786 119.914 -0.206 0.000 2.409 1132 V HA 0.579 4.696 4.120 -0.004 0.000 0.291 1132 V C 0.071 176.029 176.094 -0.226 0.000 1.020 1132 V CA -1.057 61.168 62.300 -0.125 0.000 0.848 1132 V CB 1.177 32.975 31.823 -0.042 0.000 0.990 1132 V HN 0.289 nan 8.190 nan 0.000 0.430 1133 W N 2.820 123.973 121.300 -0.246 0.000 2.304 1133 W HA 0.256 4.914 4.660 -0.004 0.000 0.313 1133 W C 0.761 177.206 176.519 -0.124 0.000 1.323 1133 W CA 0.004 57.177 57.345 -0.287 0.000 1.223 1133 W CB 0.423 29.572 29.460 -0.519 0.000 1.237 1133 W HN 0.559 nan 8.180 nan 0.000 0.535 1134 D N 5.286 125.749 120.400 0.105 0.000 2.472 1134 D HA -0.043 4.595 4.640 -0.004 0.000 0.248 1134 D C -1.459 174.999 176.300 0.264 0.000 1.174 1134 D CA -1.045 53.043 54.000 0.146 0.000 0.883 1134 D CB 1.385 42.270 40.800 0.142 0.000 1.149 1134 D HN 0.113 nan 8.370 nan 0.000 0.488 1135 P HA 0.013 nan 4.420 nan 0.000 0.230 1135 P C 1.091 178.438 177.300 0.079 0.000 1.158 1135 P CA 0.648 63.845 63.100 0.162 0.000 0.769 1135 P CB 0.277 32.028 31.700 0.085 0.000 0.807 1136 R N -0.511 119.970 120.500 -0.031 0.000 2.115 1136 R HA 0.079 4.417 4.340 -0.004 0.000 0.226 1136 R C 2.077 178.369 176.300 -0.013 0.000 1.100 1136 R CA 1.374 57.328 56.100 -0.242 0.000 0.980 1136 R CB -0.563 29.201 30.300 -0.892 0.000 0.875 1136 R HN 0.157 nan 8.270 nan 0.000 0.445 1137 A N -0.110 122.887 122.820 0.295 0.000 1.956 1137 A HA -0.085 4.232 4.320 -0.004 0.000 0.212 1137 A C 1.722 179.541 177.584 0.392 0.000 1.188 1137 A CA 0.656 53.017 52.037 0.539 0.000 0.675 1137 A CB -0.414 19.083 19.000 0.828 0.000 0.845 1137 A HN 0.223 nan 8.150 nan 0.000 0.455 1138 H N 1.853 121.007 119.070 0.140 0.000 2.426 1138 H HA -0.144 4.409 4.556 -0.004 0.000 0.298 1138 H C 2.371 177.553 175.328 -0.243 0.000 1.107 1138 H CA 1.853 57.635 56.048 -0.443 0.000 1.298 1138 H CB -0.251 29.291 29.762 -0.366 0.000 1.377 1138 H HN 0.545 nan 8.280 nan 0.000 0.519 1139 S N -1.068 114.621 115.700 -0.017 0.000 2.368 1139 S HA -0.108 4.359 4.470 -0.004 0.000 0.225 1139 S C 2.397 177.017 174.600 0.032 0.000 1.030 1139 S CA 1.374 59.540 58.200 -0.058 0.000 0.999 1139 S CB -0.886 62.299 63.200 -0.025 0.000 0.844 1139 S HN 0.177 nan 8.310 nan 0.000 0.459 1140 V N 0.903 120.901 119.914 0.141 0.000 2.379 1140 V HA -0.102 4.015 4.120 -0.004 0.000 0.245 1140 V C 2.239 178.507 176.094 0.290 0.000 1.044 1140 V CA 1.858 64.302 62.300 0.240 0.000 1.036 1140 V CB -1.166 30.813 31.823 0.259 0.000 0.664 1140 V HN 0.585 nan 8.190 nan 0.000 0.453 1141 Y N 0.750 121.109 120.300 0.099 0.000 2.053 1141 Y HA -0.302 4.246 4.550 -0.004 0.000 0.277 1141 Y C 2.317 178.237 175.900 0.032 0.000 1.159 1141 Y CA 1.991 60.133 58.100 0.070 0.000 1.125 1141 Y CB -0.368 37.990 38.460 -0.171 0.000 0.969 1141 Y HN 0.100 nan 8.280 nan 0.000 0.492 1142 L N 0.525 121.803 121.223 0.091 0.000 2.013 1142 L HA -0.303 4.035 4.340 -0.004 0.000 0.212 1142 L C 2.687 179.499 176.870 -0.096 0.000 1.073 1142 L CA 2.191 56.998 54.840 -0.056 0.000 0.753 1142 L CB -0.783 41.185 42.059 -0.152 0.000 0.890 1142 L HN 0.306 nan 8.230 nan 0.000 0.432 1143 K N -0.062 120.301 120.400 -0.062 0.000 2.020 1143 K HA -0.248 4.070 4.320 -0.004 0.000 0.212 1143 K C 2.152 178.608 176.600 -0.240 0.000 1.050 1143 K CA 2.013 58.207 56.287 -0.154 0.000 0.929 1143 K CB -0.343 32.064 32.500 -0.155 0.000 0.714 1143 K HN 0.167 nan 8.250 nan 0.000 0.443 1144 Y N 0.571 120.823 120.300 -0.080 0.000 2.439 1144 Y HA 0.016 4.564 4.550 -0.004 0.000 0.292 1144 Y C 2.428 178.247 175.900 -0.136 0.000 1.130 1144 Y CA 0.770 58.821 58.100 -0.083 0.000 1.254 1144 Y CB -0.058 38.375 38.460 -0.044 0.000 1.000 1144 Y HN 0.094 nan 8.280 nan 0.000 0.554 1145 R N 1.087 121.512 120.500 -0.125 0.000 2.159 1145 R HA -0.164 4.174 4.340 -0.004 0.000 0.237 1145 R C 1.460 177.692 176.300 -0.112 0.000 1.131 1145 R CA 1.174 57.157 56.100 -0.195 0.000 0.982 1145 R CB -0.063 30.038 30.300 -0.331 0.000 0.868 1145 R HN 0.331 nan 8.270 nan 0.000 0.453 1146 K N 0.112 120.445 120.400 -0.112 0.000 2.439 1146 K HA -0.012 4.306 4.320 -0.004 0.000 0.197 1146 K C 1.602 178.155 176.600 -0.078 0.000 1.041 1146 K CA 0.213 56.443 56.287 -0.094 0.000 0.970 1146 K CB 0.155 32.588 32.500 -0.111 0.000 0.773 1146 K HN 0.151 nan 8.250 nan 0.000 0.479 1147 L N 1.002 122.184 121.223 -0.069 0.000 2.395 1147 L HA 0.059 4.397 4.340 -0.004 0.000 0.218 1147 L C 0.706 177.557 176.870 -0.031 0.000 1.130 1147 L CA 0.894 55.709 54.840 -0.041 0.000 0.826 1147 L CB -0.473 41.588 42.059 0.004 0.000 0.941 1147 L HN 0.135 nan 8.230 nan 0.000 0.451 1148 L N 0.310 121.510 121.223 -0.038 0.000 2.375 1148 L HA 0.289 4.626 4.340 -0.004 0.000 0.271 1148 L C -1.919 174.929 176.870 -0.037 0.000 1.107 1148 L CA -2.011 52.805 54.840 -0.041 0.000 0.806 1148 L CB -0.254 41.777 42.059 -0.046 0.000 1.146 1148 L HN -0.142 nan 8.230 nan 0.000 0.447 1149 P HA -0.110 nan 4.420 nan 0.000 0.259 1149 P C -0.059 177.232 177.300 -0.015 0.000 1.155 1149 P CA 0.292 63.372 63.100 -0.034 0.000 0.759 1149 P CB 0.416 32.084 31.700 -0.054 0.000 0.753 1150 K N 3.191 123.592 120.400 0.002 0.000 2.032 1150 K HA -0.267 4.050 4.320 -0.004 0.000 0.218 1150 K C 1.918 178.564 176.600 0.077 0.000 1.054 1150 K CA 2.089 58.394 56.287 0.030 0.000 0.941 1150 K CB -0.722 31.798 32.500 0.033 0.000 0.720 1150 K HN 0.486 nan 8.250 nan 0.000 0.449 1151 Q N -0.310 119.545 119.800 0.092 0.000 2.197 1151 Q HA -0.111 4.226 4.340 -0.004 0.000 0.207 1151 Q C 1.676 177.768 176.000 0.154 0.000 0.984 1151 Q CA 1.080 57.009 55.803 0.209 0.000 0.869 1151 Q CB -0.155 28.591 28.738 0.013 0.000 0.906 1151 Q HN 0.092 nan 8.270 nan 0.000 0.426 1152 L N 0.512 121.746 121.223 0.018 0.000 2.478 1152 L HA -0.080 4.258 4.340 -0.004 0.000 0.223 1152 L C 1.717 178.611 176.870 0.040 0.000 1.140 1152 L CA 1.468 56.302 54.840 -0.010 0.000 0.842 1152 L CB -0.436 41.585 42.059 -0.065 0.000 0.953 1152 L HN 0.283 nan 8.230 nan 0.000 0.452 1153 Q N -1.236 118.601 119.800 0.061 0.000 2.311 1153 Q HA -0.068 4.270 4.340 -0.004 0.000 0.203 1153 Q C 1.758 177.816 176.000 0.096 0.000 0.954 1153 Q CA 0.697 56.529 55.803 0.049 0.000 0.885 1153 Q CB 0.161 28.916 28.738 0.027 0.000 0.963 1153 Q HN 0.392 nan 8.270 nan 0.000 0.471 1154 R N 0.489 121.085 120.500 0.160 0.000 2.437 1154 R HA 0.129 4.466 4.340 -0.004 0.000 0.257 1154 R C 0.114 176.555 176.300 0.236 0.000 0.927 1154 R CA -0.143 56.052 56.100 0.158 0.000 1.078 1154 R CB 0.507 30.860 30.300 0.090 0.000 1.161 1154 R HN 0.109 nan 8.270 nan 0.000 0.529 1155 N N 1.569 120.458 118.700 0.314 0.000 2.482 1155 N HA 0.017 4.754 4.740 -0.004 0.000 0.242 1155 N C -1.161 174.432 175.510 0.139 0.000 1.100 1155 N CA 0.135 53.370 53.050 0.308 0.000 0.946 1155 N CB 0.695 39.269 38.487 0.145 0.000 1.227 1155 N HN 0.026 nan 8.380 nan 0.000 0.508 1156 T N 1.337 115.961 114.554 0.117 0.000 2.885 1156 T HA 0.606 4.954 4.350 -0.004 0.000 0.285 1156 T C 0.211 174.920 174.700 0.014 0.000 1.019 1156 T CA -0.862 61.272 62.100 0.058 0.000 1.010 1156 T CB 1.519 70.425 68.868 0.064 0.000 1.022 1156 T HN 0.365 nan 8.240 nan 0.000 0.466 1157 I N -1.228 119.328 120.570 -0.023 0.000 2.892 1157 I HA 0.710 4.878 4.170 -0.004 0.000 0.306 1157 I C -3.042 173.031 176.117 -0.072 0.000 1.078 1157 I CA -3.473 57.783 61.300 -0.074 0.000 1.032 1157 I CB 1.724 39.684 38.000 -0.066 0.000 1.229 1157 I HN 0.319 nan 8.210 nan 0.000 0.435 1158 P HA 0.067 nan 4.420 nan 0.000 0.272 1158 P C -0.982 176.389 177.300 0.119 0.000 1.254 1158 P CA -0.049 63.055 63.100 0.007 0.000 0.795 1158 P CB 0.404 32.105 31.700 0.002 0.000 1.022 1159 D N -1.193 119.287 120.400 0.134 0.000 2.354 1159 D HA 0.332 4.969 4.640 -0.004 0.000 0.247 1159 D C 1.316 177.716 176.300 0.166 0.000 1.138 1159 D CA 0.847 54.919 54.000 0.120 0.000 0.958 1159 D CB 0.377 41.228 40.800 0.085 0.000 1.144 1159 D HN 0.607 nan 8.370 nan 0.000 0.458 1160 G N 1.078 109.922 108.800 0.072 0.000 2.184 1160 G HA2 -0.327 3.630 3.960 -0.004 0.000 0.264 1160 G HA3 -0.327 3.630 3.960 -0.004 0.000 0.264 1160 G C 0.669 175.482 174.900 -0.146 0.000 0.975 1160 G CA 0.650 45.722 45.100 -0.046 0.000 0.642 1160 G HN 0.531 nan 8.290 nan 0.000 0.536 1161 Y N 0.892 121.194 120.300 0.003 0.000 2.485 1161 Y HA 0.454 5.001 4.550 -0.004 0.000 0.260 1161 Y C 1.721 177.631 175.900 0.016 0.000 1.173 1161 Y CA 0.951 59.057 58.100 0.011 0.000 1.252 1161 Y CB 0.837 39.303 38.460 0.009 0.000 1.123 1161 Y HN 1.024 nan 8.280 nan 0.000 0.524 1162 G N 0.096 108.970 108.800 0.124 0.000 2.422 1162 G HA2 -0.172 3.785 3.960 -0.004 0.000 0.607 1162 G HA3 -0.172 3.785 3.960 -0.004 0.000 0.607 1162 G C -0.981 173.965 174.900 0.077 0.000 1.270 1162 G CA -0.478 44.676 45.100 0.090 0.000 0.992 1162 G HN 0.080 nan 8.290 nan 0.000 0.499 1163 D N 0.609 121.050 120.400 0.068 0.000 2.788 1163 D HA 0.368 5.005 4.640 -0.004 0.000 0.289 1163 D C 1.380 177.709 176.300 0.050 0.000 1.340 1163 D CA 0.608 54.643 54.000 0.057 0.000 0.831 1163 D CB 0.373 41.211 40.800 0.064 0.000 1.103 1163 D HN 0.801 nan 8.370 nan 0.000 0.476 1164 G N 0.088 108.916 108.800 0.046 0.000 3.371 1164 G HA2 0.485 4.443 3.960 -0.004 0.000 0.248 1164 G HA3 0.485 4.443 3.960 -0.004 0.000 0.248 1164 G C 0.405 175.303 174.900 -0.003 0.000 1.161 1164 G CA 0.034 45.151 45.100 0.028 0.000 0.796 1164 G HN 0.334 nan 8.290 nan 0.000 0.539 1165 A N -0.475 122.347 122.820 0.004 0.000 2.581 1165 A HA 0.529 4.847 4.320 -0.004 0.000 0.294 1165 A C -0.853 176.737 177.584 0.010 0.000 1.035 1165 A CA -0.781 51.254 52.037 -0.003 0.000 0.684 1165 A CB 0.327 19.322 19.000 -0.007 0.000 1.282 1165 A HN 0.141 nan 8.150 nan 0.000 0.417 1166 L N 1.445 122.683 121.223 0.024 0.000 2.499 1166 L HA 0.207 4.544 4.340 -0.004 0.000 0.273 1166 L C 0.166 177.027 176.870 -0.015 0.000 1.195 1166 L CA -0.320 54.548 54.840 0.047 0.000 0.882 1166 L CB 0.756 42.881 42.059 0.110 0.000 1.133 1166 L HN 0.497 nan 8.230 nan 0.000 0.483 1167 V N 3.635 123.471 119.914 -0.131 0.000 2.555 1167 V HA 0.620 4.737 4.120 -0.004 0.000 0.286 1167 V C 0.762 176.605 176.094 -0.418 0.000 1.044 1167 V CA 0.665 62.772 62.300 -0.321 0.000 1.026 1167 V CB 0.667 32.178 31.823 -0.520 0.000 0.981 1167 V HN 1.042 nan 8.190 nan 0.000 0.480 1168 G N 3.386 112.070 108.800 -0.193 0.000 2.393 1168 G HA2 0.349 4.307 3.960 -0.004 0.000 0.264 1168 G HA3 0.349 4.307 3.960 -0.004 0.000 0.264 1168 G C -0.811 174.110 174.900 0.034 0.000 1.221 1168 G CA 0.066 45.154 45.100 -0.020 0.000 0.912 1168 G HN 0.690 nan 8.290 nan 0.000 0.483 1169 S N -0.999 114.747 115.700 0.077 0.000 2.513 1169 S HA 0.406 4.873 4.470 -0.004 0.000 0.276 1169 S C 0.915 175.542 174.600 0.045 0.000 1.254 1169 S CA 0.172 58.413 58.200 0.067 0.000 1.053 1169 S CB 1.443 64.693 63.200 0.085 0.000 0.958 1169 S HN 1.305 nan 8.310 nan 0.000 0.491 1170 V N 6.245 126.177 119.914 0.029 0.000 3.506 1170 V HA 0.180 4.297 4.120 -0.004 0.000 0.263 1170 V C 1.424 177.537 176.094 0.032 0.000 1.203 1170 V CA 0.955 63.265 62.300 0.017 0.000 1.133 1170 V CB -0.357 31.450 31.823 -0.026 0.000 0.802 1170 V HN 0.914 nan 8.190 nan 0.000 0.459 1171 L N -0.664 120.585 121.223 0.044 0.000 2.395 1171 L HA 0.040 4.377 4.340 -0.004 0.000 0.218 1171 L C 2.074 178.968 176.870 0.040 0.000 1.130 1171 L CA 0.524 55.393 54.840 0.049 0.000 0.826 1171 L CB -0.349 41.747 42.059 0.062 0.000 0.941 1171 L HN 0.232 nan 8.230 nan 0.000 0.451 1172 I N -0.180 120.413 120.570 0.038 0.000 3.059 1172 I HA -0.067 4.100 4.170 -0.004 0.000 0.270 1172 I C 0.969 177.083 176.117 -0.004 0.000 1.238 1172 I CA 0.329 61.645 61.300 0.026 0.000 1.478 1172 I CB -1.000 37.028 38.000 0.047 0.000 1.097 1172 I HN 0.272 nan 8.210 nan 0.000 0.455 1173 N N 3.152 121.855 118.700 0.006 0.000 2.438 1173 N HA 0.021 4.759 4.740 -0.004 0.000 0.267 1173 N C -1.383 174.073 175.510 -0.090 0.000 1.222 1173 N CA -0.744 52.298 53.050 -0.012 0.000 0.930 1173 N CB 1.182 39.704 38.487 0.058 0.000 1.083 1173 N HN -0.024 nan 8.380 nan 0.000 0.476 1174 P HA -0.104 nan 4.420 nan 0.000 0.223 1174 P C 0.273 177.356 177.300 -0.363 0.000 1.151 1174 P CA 1.190 64.043 63.100 -0.412 0.000 0.787 1174 P CB 0.056 31.330 31.700 -0.710 0.000 0.788 1175 F N 0.369 120.352 119.950 0.055 0.000 2.698 1175 F HA 0.277 4.802 4.527 -0.004 0.000 0.295 1175 F C 1.571 177.451 175.800 0.133 0.000 1.124 1175 F CA -0.410 57.640 58.000 0.083 0.000 1.426 1175 F CB -0.598 38.437 39.000 0.058 0.000 1.120 1175 F HN -0.207 nan 8.300 nan 0.000 0.583 1176 A N 2.081 125.043 122.820 0.237 0.000 2.505 1176 A HA 0.096 4.414 4.320 -0.004 0.000 0.271 1176 A C 0.268 177.955 177.584 0.173 0.000 1.112 1176 A CA -0.162 52.000 52.037 0.209 0.000 0.781 1176 A CB -0.239 18.835 19.000 0.123 0.000 1.059 1176 A HN 0.035 nan 8.150 nan 0.000 0.508 1177 K N 3.224 123.752 120.400 0.214 0.000 2.285 1177 K HA 0.073 4.390 4.320 -0.004 0.000 0.286 1177 K C -0.257 176.418 176.600 0.126 0.000 1.072 1177 K CA -0.316 56.044 56.287 0.121 0.000 0.913 1177 K CB 0.800 33.330 32.500 0.050 0.000 1.067 1177 K HN 0.750 nan 8.250 nan 0.000 0.479 1178 N N 4.435 123.169 118.700 0.057 0.000 2.508 1178 N HA 0.031 4.768 4.740 -0.004 0.000 0.253 1178 N C -0.756 174.742 175.510 -0.021 0.000 1.145 1178 N CA -0.119 52.947 53.050 0.027 0.000 0.973 1178 N CB 0.324 38.804 38.487 -0.012 0.000 1.305 1178 N HN 0.324 nan 8.380 nan 0.000 0.506 1179 R N 0.936 121.497 120.500 0.101 0.000 2.357 1179 R HA 0.277 4.614 4.340 -0.004 0.000 0.296 1179 R C 1.077 177.382 176.300 0.008 0.000 1.052 1179 R CA -0.142 55.993 56.100 0.058 0.000 0.988 1179 R CB 0.783 31.180 30.300 0.161 0.000 1.025 1179 R HN 0.555 nan 8.270 nan 0.000 0.469 1180 G N 2.605 111.325 108.800 -0.133 0.000 2.451 1180 G HA2 -0.280 3.678 3.960 -0.004 0.000 0.296 1180 G HA3 -0.280 3.678 3.960 -0.004 0.000 0.296 1180 G C -0.039 174.900 174.900 0.065 0.000 0.922 1180 G CA 1.088 46.112 45.100 -0.126 0.000 1.074 1180 G HN 1.023 nan 8.290 nan 0.000 0.509 1181 W N -3.917 117.479 121.300 0.161 0.000 2.062 1181 W HA -0.268 4.390 4.660 -0.004 0.000 0.257 1181 W C 0.892 177.496 176.519 0.141 0.000 1.024 1181 W CA 0.314 57.779 57.345 0.199 0.000 0.471 1181 W CB -1.912 27.746 29.460 0.331 0.000 2.039 1181 W HN 0.921 nan 8.180 nan 0.000 1.321 1182 I N 0.390 121.068 120.570 0.180 0.000 2.406 1182 I HA 0.484 4.652 4.170 -0.004 0.000 0.290 1182 I C 0.401 176.380 176.117 -0.230 0.000 0.999 1182 I CA -1.886 59.394 61.300 -0.033 0.000 1.124 1182 I CB 1.160 39.074 38.000 -0.144 0.000 1.289 1182 I HN 0.021 nan 8.210 nan 0.000 0.441 1183 R N 6.276 126.649 120.500 -0.211 0.000 2.234 1183 R HA 0.370 4.707 4.340 -0.004 0.000 0.324 1183 R C -1.854 174.285 176.300 -0.267 0.000 1.054 1183 R CA -0.217 55.800 56.100 -0.138 0.000 0.912 1183 R CB 0.485 30.769 30.300 -0.028 0.000 1.030 1183 R HN 0.678 nan 8.270 nan 0.000 0.455 1184 Y N 3.059 123.407 120.300 0.080 0.000 2.331 1184 Y HA 0.434 4.982 4.550 -0.004 0.000 0.338 1184 Y C -0.056 175.979 175.900 0.226 0.000 0.992 1184 Y CA -0.625 57.560 58.100 0.141 0.000 1.121 1184 Y CB 2.078 40.615 38.460 0.128 0.000 1.184 1184 Y HN 0.295 nan 8.280 nan 0.000 0.469 1185 V N 6.060 126.163 119.914 0.315 0.000 2.769 1185 V HA 0.665 4.783 4.120 -0.004 0.000 0.312 1185 V C -2.462 173.657 176.094 0.042 0.000 1.061 1185 V CA -2.622 59.792 62.300 0.190 0.000 0.931 1185 V CB 2.828 34.681 31.823 0.050 0.000 1.010 1185 V HN 0.571 nan 8.190 nan 0.000 0.433 1186 P HA 0.563 nan 4.420 nan 0.000 0.296 1186 P C -1.508 175.635 177.300 -0.261 0.000 1.310 1186 P CA -0.419 62.352 63.100 -0.548 0.000 0.900 1186 P CB 1.973 33.051 31.700 -1.037 0.000 1.111 1187 V N 0.062 119.859 119.914 -0.195 0.000 3.007 1187 V HA 0.497 4.614 4.120 -0.004 0.000 0.311 1187 V C 0.019 176.075 176.094 -0.064 0.000 1.120 1187 V CA -1.260 60.985 62.300 -0.093 0.000 0.980 1187 V CB 1.909 33.722 31.823 -0.017 0.000 1.033 1187 V HN 0.266 nan 8.190 nan 0.000 0.429 1188 I N 2.037 122.586 120.570 -0.035 0.000 2.587 1188 I HA 0.276 4.444 4.170 -0.004 0.000 0.284 1188 I C 0.671 176.845 176.117 0.094 0.000 1.134 1188 I CA 0.972 62.286 61.300 0.023 0.000 1.410 1188 I CB 0.055 38.052 38.000 -0.005 0.000 1.392 1188 I HN 0.817 nan 8.210 nan 0.000 0.545 1189 T N 5.002 119.634 114.554 0.129 0.000 2.940 1189 T HA 0.255 4.603 4.350 -0.004 0.000 0.288 1189 T C -0.297 174.504 174.700 0.169 0.000 1.033 1189 T CA -0.531 61.643 62.100 0.123 0.000 1.033 1189 T CB 1.348 70.268 68.868 0.087 0.000 1.079 1189 T HN 0.390 nan 8.240 nan 0.000 0.496 1190 D N 2.001 122.456 120.400 0.092 0.000 2.317 1190 D HA 0.081 4.718 4.640 -0.004 0.000 0.252 1190 D C 0.204 176.496 176.300 -0.013 0.000 1.174 1190 D CA -0.008 53.983 54.000 -0.014 0.000 0.866 1190 D CB 0.299 41.064 40.800 -0.059 0.000 1.127 1190 D HN 0.439 nan 8.370 nan 0.000 0.467 1191 H N 2.219 121.215 119.070 -0.123 0.000 2.848 1191 H HA 0.186 4.740 4.556 -0.004 0.000 0.317 1191 H C -0.622 174.656 175.328 -0.083 0.000 1.046 1191 H CA 0.140 56.142 56.048 -0.077 0.000 1.470 1191 H CB 0.418 30.134 29.762 -0.076 0.000 1.483 1191 H HN 0.322 nan 8.280 nan 0.000 0.548 1192 T N 3.705 117.909 114.554 -0.583 0.000 2.886 1192 T HA 0.478 4.826 4.350 -0.004 0.000 0.292 1192 T C -0.053 174.384 174.700 -0.439 0.000 1.012 1192 T CA -1.176 60.685 62.100 -0.398 0.000 0.982 1192 T CB 1.931 70.682 68.868 -0.194 0.000 1.018 1192 T HN 0.574 nan 8.240 nan 0.000 0.451 1193 R N 2.114 122.450 120.500 -0.273 0.000 2.404 1193 R HA 0.341 4.679 4.340 -0.004 0.000 0.291 1193 R C -0.280 175.959 176.300 -0.102 0.000 1.025 1193 R CA -0.862 55.141 56.100 -0.161 0.000 0.991 1193 R CB 0.737 30.987 30.300 -0.083 0.000 1.053 1193 R HN 0.693 nan 8.270 nan 0.000 0.479 1194 D N 2.059 122.417 120.400 -0.070 0.000 2.378 1194 D HA 0.102 4.739 4.640 -0.004 0.000 0.238 1194 D C 0.341 176.628 176.300 -0.022 0.000 1.180 1194 D CA 0.603 54.578 54.000 -0.042 0.000 0.895 1194 D CB 0.948 41.730 40.800 -0.029 0.000 1.192 1194 D HN 0.198 nan 8.370 nan 0.000 0.438 1195 R N 0.212 120.711 120.500 -0.001 0.000 2.799 1195 R HA 0.196 4.534 4.340 -0.004 0.000 0.270 1195 R C -0.547 175.787 176.300 0.058 0.000 1.010 1195 R CA -0.821 55.298 56.100 0.032 0.000 0.916 1195 R CB 1.791 32.119 30.300 0.046 0.000 1.228 1195 R HN 0.493 nan 8.270 nan 0.000 0.469 1196 E N 2.616 122.870 120.200 0.090 0.000 2.259 1196 E HA 0.176 4.523 4.350 -0.004 0.000 0.281 1196 E C -0.484 176.209 176.600 0.155 0.000 1.037 1196 E CA -0.682 55.775 56.400 0.095 0.000 0.854 1196 E CB 0.961 30.714 29.700 0.088 0.000 1.051 1196 E HN 0.428 nan 8.360 nan 0.000 0.409 1197 R N 2.050 122.599 120.500 0.083 0.000 2.500 1197 R HA 0.484 4.822 4.340 -0.004 0.000 0.275 1197 R C -0.543 175.791 176.300 0.055 0.000 1.051 1197 R CA -0.521 55.590 56.100 0.020 0.000 1.088 1197 R CB 0.949 31.207 30.300 -0.069 0.000 1.063 1197 R HN 0.509 nan 8.270 nan 0.000 0.511 1198 A N 3.077 125.892 122.820 -0.008 0.000 2.444 1198 A HA 0.083 4.401 4.320 -0.004 0.000 0.287 1198 A C 0.771 178.403 177.584 0.079 0.000 1.195 1198 A CA -0.579 51.497 52.037 0.065 0.000 0.858 1198 A CB 0.166 19.206 19.000 0.066 0.000 1.117 1198 A HN 0.929 nan 8.150 nan 0.000 0.521 1199 E N 2.078 122.350 120.200 0.119 0.000 2.085 1199 E HA -0.204 4.144 4.350 -0.004 0.000 0.194 1199 E C 1.751 178.459 176.600 0.181 0.000 0.994 1199 E CA 0.988 57.502 56.400 0.189 0.000 0.801 1199 E CB -0.151 29.637 29.700 0.147 0.000 0.743 1199 E HN 0.821 nan 8.360 nan 0.000 0.453 1200 L N 0.163 121.457 121.223 0.118 0.000 1.973 1200 L HA -0.089 4.249 4.340 -0.004 0.000 0.208 1200 L C 2.370 179.289 176.870 0.081 0.000 1.073 1200 L CA 1.831 56.735 54.840 0.106 0.000 0.746 1200 L CB -0.958 41.162 42.059 0.102 0.000 0.891 1200 L HN 0.197 nan 8.230 nan 0.000 0.433 1201 G N -1.257 107.594 108.800 0.086 0.000 2.450 1201 G HA2 -0.253 3.705 3.960 -0.004 0.000 0.220 1201 G HA3 -0.253 3.705 3.960 -0.004 0.000 0.220 1201 G C 1.606 176.572 174.900 0.110 0.000 1.130 1201 G CA 1.010 46.174 45.100 0.106 0.000 0.760 1201 G HN 0.448 nan 8.290 nan 0.000 0.557 1202 S N -0.950 114.818 115.700 0.113 0.000 2.428 1202 S HA -0.038 4.430 4.470 -0.004 0.000 0.230 1202 S C 1.807 176.498 174.600 0.152 0.000 1.014 1202 S CA 0.727 59.068 58.200 0.234 0.000 0.957 1202 S CB -0.273 63.106 63.200 0.298 0.000 0.784 1202 S HN 0.621 nan 8.310 nan 0.000 0.499 1203 Y N 1.688 121.802 120.300 -0.311 0.000 2.365 1203 Y HA 0.150 4.698 4.550 -0.004 0.000 0.293 1203 Y C 1.764 177.295 175.900 -0.613 0.000 1.119 1203 Y CA 0.754 58.273 58.100 -0.968 0.000 1.203 1203 Y CB -0.108 37.717 38.460 -1.059 0.000 1.026 1203 Y HN 0.095 nan 8.280 nan 0.000 0.549 1204 L N -0.607 120.258 121.223 -0.598 0.000 2.005 1204 L HA -0.252 4.085 4.340 -0.004 0.000 0.207 1204 L C 2.348 178.788 176.870 -0.717 0.000 1.072 1204 L CA 2.037 56.418 54.840 -0.764 0.000 0.744 1204 L CB -1.019 40.690 42.059 -0.584 0.000 0.895 1204 L HN 0.358 nan 8.230 nan 0.000 0.433 1205 Y N 0.968 120.867 120.300 -0.667 0.000 2.102 1205 Y HA -0.403 4.145 4.550 -0.004 0.000 0.280 1205 Y C 2.616 178.399 175.900 -0.196 0.000 1.178 1205 Y CA 2.028 59.898 58.100 -0.383 0.000 1.146 1205 Y CB -0.163 38.332 38.460 0.059 0.000 0.968 1205 Y HN 0.322 nan 8.280 nan 0.000 0.504 1206 D N 0.339 120.559 120.400 -0.300 0.000 2.092 1206 D HA -0.226 4.412 4.640 -0.004 0.000 0.193 1206 D C 2.107 178.213 176.300 -0.323 0.000 0.994 1206 D CA 1.885 55.719 54.000 -0.276 0.000 0.828 1206 D CB -0.284 40.498 40.800 -0.029 0.000 0.963 1206 D HN 0.513 nan 8.370 nan 0.000 0.450 1207 L N -0.402 120.565 121.223 -0.426 0.000 2.109 1207 L HA -0.101 4.236 4.340 -0.004 0.000 0.207 1207 L C 2.545 179.284 176.870 -0.219 0.000 1.086 1207 L CA 0.409 55.076 54.840 -0.288 0.000 0.760 1207 L CB -0.431 41.419 42.059 -0.348 0.000 0.910 1207 L HN 0.033 nan 8.230 nan 0.000 0.437 1208 F N 0.335 119.955 119.950 -0.550 0.000 2.250 1208 F HA -0.226 4.298 4.527 -0.004 0.000 0.301 1208 F C 2.419 177.956 175.800 -0.439 0.000 1.077 1208 F CA 1.488 59.027 58.000 -0.768 0.000 1.348 1208 F CB -0.053 38.409 39.000 -0.897 0.000 1.040 1208 F HN -0.037 nan 8.300 nan 0.000 0.509 1209 S N -0.008 115.477 115.700 -0.358 0.000 2.362 1209 S HA -0.085 4.382 4.470 -0.004 0.000 0.221 1209 S C 1.885 176.321 174.600 -0.273 0.000 1.032 1209 S CA 0.591 58.585 58.200 -0.343 0.000 0.973 1209 S CB -0.186 62.795 63.200 -0.366 0.000 0.849 1209 S HN 0.187 nan 8.310 nan 0.000 0.465 1210 R N 1.288 121.664 120.500 -0.207 0.000 2.113 1210 R HA -0.099 4.238 4.340 -0.004 0.000 0.244 1210 R C 2.541 178.751 176.300 -0.149 0.000 1.142 1210 R CA 1.214 57.238 56.100 -0.128 0.000 0.953 1210 R CB -1.692 28.567 30.300 -0.068 0.000 0.860 1210 R HN 0.510 nan 8.270 nan 0.000 0.438 1211 C N 0.061 119.238 119.300 -0.205 0.000 2.413 1211 C HA -0.075 4.382 4.460 -0.004 0.000 0.277 1211 C C 2.582 177.402 174.990 -0.283 0.000 1.228 1211 C CA 0.708 59.596 59.018 -0.217 0.000 1.731 1211 C CB -1.144 26.427 27.740 -0.281 0.000 2.042 1211 C HN 0.474 nan 8.230 nan 0.000 0.468 1212 L N 0.544 121.508 121.223 -0.431 0.000 1.990 1212 L HA -0.164 4.174 4.340 -0.004 0.000 0.213 1212 L C 2.729 179.462 176.870 -0.228 0.000 1.072 1212 L CA 2.298 56.912 54.840 -0.376 0.000 0.755 1212 L CB -0.987 40.818 42.059 -0.423 0.000 0.889 1212 L HN 0.391 nan 8.230 nan 0.000 0.432 1213 S N -0.720 114.871 115.700 -0.182 0.000 2.440 1213 S HA -0.211 4.256 4.470 -0.004 0.000 0.238 1213 S C 1.740 176.283 174.600 -0.094 0.000 1.010 1213 S CA 1.221 59.351 58.200 -0.117 0.000 0.972 1213 S CB -0.166 62.980 63.200 -0.089 0.000 0.774 1213 S HN 0.343 nan 8.310 nan 0.000 0.501 1214 E N 1.349 121.488 120.200 -0.101 0.000 2.152 1214 E HA 0.064 4.412 4.350 -0.004 0.000 0.192 1214 E C 1.422 177.982 176.600 -0.067 0.000 0.983 1214 E CA 0.612 56.971 56.400 -0.067 0.000 0.818 1214 E CB -0.141 29.526 29.700 -0.055 0.000 0.758 1214 E HN 0.249 nan 8.360 nan 0.000 0.467 1215 S N -0.499 115.142 115.700 -0.098 0.000 2.602 1215 S HA 0.306 4.774 4.470 -0.004 0.000 0.246 1215 S C -0.014 174.525 174.600 -0.102 0.000 1.009 1215 S CA 0.437 58.581 58.200 -0.092 0.000 1.052 1215 S CB -1.070 62.063 63.200 -0.111 0.000 0.778 1215 S HN 0.449 nan 8.310 nan 0.000 0.455 1235 I N 1.003 121.557 120.570 -0.027 0.000 3.768 1235 I HA 0.220 4.388 4.170 -0.004 0.000 0.328 1235 I C -0.941 175.151 176.117 -0.042 0.000 1.413 1235 I CA 0.271 61.548 61.300 -0.038 0.000 1.003 1235 I CB 0.555 38.523 38.000 -0.053 0.000 1.727 1235 I HN 0.372 nan 8.210 nan 0.000 0.657 1236 D N 0.832 121.209 120.400 -0.038 0.000 2.440 1236 D HA 0.101 4.739 4.640 -0.004 0.000 0.216 1236 D C 1.578 177.844 176.300 -0.057 0.000 1.150 1236 D CA 0.069 54.043 54.000 -0.045 0.000 0.832 1236 D CB 0.909 41.688 40.800 -0.035 0.000 0.992 1236 D HN 0.204 nan 8.370 nan 0.000 0.502 1237 Q N 0.274 120.043 119.800 -0.052 0.000 2.432 1237 Q HA 0.119 4.457 4.340 -0.004 0.000 0.205 1237 Q C 2.059 178.028 176.000 -0.051 0.000 0.945 1237 Q CA 0.130 55.895 55.803 -0.063 0.000 0.924 1237 Q CB 0.463 29.172 28.738 -0.048 0.000 1.016 1237 Q HN 0.398 nan 8.270 nan 0.000 0.503 1238 L N 0.955 122.157 121.223 -0.036 0.000 2.549 1238 L HA -0.032 4.306 4.340 -0.004 0.000 0.229 1238 L C 1.672 178.541 176.870 -0.002 0.000 1.158 1238 L CA 0.562 55.391 54.840 -0.020 0.000 0.842 1238 L CB -0.074 41.972 42.059 -0.022 0.000 0.952 1238 L HN 0.185 nan 8.230 nan 0.000 0.452 1239 I N -4.323 116.241 120.570 -0.009 0.000 3.736 1239 I HA 0.260 4.427 4.170 -0.004 0.000 0.338 1239 I C -0.153 175.990 176.117 0.042 0.000 1.558 1239 I CA -0.440 60.889 61.300 0.047 0.000 1.147 1239 I CB -0.336 37.697 38.000 0.055 0.000 1.275 1239 I HN -0.022 nan 8.210 nan 0.000 0.454 1240 C N 0.475 119.751 119.300 -0.040 0.000 3.154 1240 C HA 0.723 5.180 4.460 -0.004 0.000 0.312 1240 C C 0.450 175.459 174.990 0.031 0.000 1.349 1240 C CA -0.629 58.300 59.018 -0.149 0.000 1.518 1240 C CB 2.562 30.078 27.740 -0.374 0.000 1.934 1240 C HN 0.465 nan 8.230 nan 0.000 0.462 1241 R N 0.127 120.683 120.500 0.095 0.000 3.307 1241 R HA 0.741 5.079 4.340 -0.004 0.000 0.227 1241 R C -1.050 175.290 176.300 0.066 0.000 1.645 1241 R CA -0.522 55.637 56.100 0.099 0.000 1.015 1241 R CB 0.875 31.265 30.300 0.150 0.000 1.832 1241 R HN 0.730 nan 8.270 nan 0.000 0.533 1242 S N 1.279 117.019 115.700 0.067 0.000 2.532 1242 S HA 0.324 4.792 4.470 -0.004 0.000 0.299 1242 S C -0.760 173.886 174.600 0.077 0.000 1.105 1242 S CA -0.934 57.303 58.200 0.060 0.000 1.018 1242 S CB 1.484 64.706 63.200 0.037 0.000 1.021 1242 S HN 0.546 nan 8.310 nan 0.000 0.483 1243 N N 2.040 120.794 118.700 0.090 0.000 2.495 1243 N HA 0.590 5.328 4.740 -0.004 0.000 0.280 1243 N C -2.610 172.959 175.510 0.099 0.000 1.168 1243 N CA -1.511 51.595 53.050 0.093 0.000 0.978 1243 N CB -0.754 37.790 38.487 0.095 0.000 1.191 1243 N HN 0.241 nan 8.380 nan 0.000 0.497 1244 P HA 0.025 nan 4.420 nan 0.000 0.270 1244 P C -0.593 176.757 177.300 0.083 0.000 1.221 1244 P CA 0.033 63.170 63.100 0.061 0.000 0.788 1244 P CB 0.040 31.730 31.700 -0.018 0.000 0.904 1245 T N 2.770 117.376 114.554 0.086 0.000 2.743 1245 T HA 0.305 4.653 4.350 -0.004 0.000 0.293 1245 T C 0.082 174.734 174.700 -0.081 0.000 0.945 1245 T CA -0.396 61.719 62.100 0.024 0.000 1.030 1245 T CB 0.302 69.211 68.868 0.068 0.000 0.912 1245 T HN 0.203 nan 8.240 nan 0.000 0.483 1246 K N 3.268 123.599 120.400 -0.115 0.000 2.443 1246 K HA 0.525 4.843 4.320 -0.004 0.000 0.252 1246 K C -0.804 175.723 176.600 -0.122 0.000 0.933 1246 K CA -0.867 55.362 56.287 -0.095 0.000 0.792 1246 K CB 2.075 34.547 32.500 -0.046 0.000 1.185 1246 K HN 0.303 nan 8.250 nan 0.000 0.425 1247 I N 1.258 121.775 120.570 -0.087 0.000 2.664 1247 I HA 0.462 4.630 4.170 -0.004 0.000 0.308 1247 I C 0.573 176.678 176.117 -0.020 0.000 0.984 1247 I CA -0.485 60.792 61.300 -0.039 0.000 1.213 1247 I CB 1.339 39.381 38.000 0.071 0.000 1.379 1247 I HN 0.765 nan 8.210 nan 0.000 0.501 1248 S N 3.727 119.415 115.700 -0.020 0.000 2.552 1248 S HA 0.826 5.293 4.470 -0.004 0.000 0.272 1248 S C -1.046 173.518 174.600 -0.060 0.000 1.150 1248 S CA -1.202 56.971 58.200 -0.046 0.000 0.849 1248 S CB 2.064 65.226 63.200 -0.064 0.000 1.113 1248 S HN 0.645 nan 8.310 nan 0.000 0.458 1249 R N 0.083 120.534 120.500 -0.081 0.000 2.437 1249 R HA 0.730 5.068 4.340 -0.004 0.000 0.310 1249 R C -0.573 175.665 176.300 -0.103 0.000 0.955 1249 R CA -0.465 55.579 56.100 -0.094 0.000 0.851 1249 R CB 1.284 31.523 30.300 -0.102 0.000 1.161 1249 R HN 0.723 nan 8.270 nan 0.000 0.446 1250 S N 1.800 117.440 115.700 -0.101 0.000 2.455 1250 S HA 0.132 4.599 4.470 -0.004 0.000 0.278 1250 S C 0.609 175.151 174.600 -0.097 0.000 1.216 1250 S CA -0.379 57.755 58.200 -0.111 0.000 1.055 1250 S CB 0.653 63.789 63.200 -0.108 0.000 0.939 1250 S HN 0.808 nan 8.310 nan 0.000 0.494 1251 T N 0.581 115.095 114.554 -0.067 0.000 2.748 1251 T HA 0.378 4.725 4.350 -0.004 0.000 0.304 1251 T C 1.322 175.957 174.700 -0.108 0.000 1.041 1251 T CA -0.124 61.957 62.100 -0.033 0.000 1.033 1251 T CB 0.308 69.233 68.868 0.096 0.000 0.995 1251 T HN 0.763 nan 8.240 nan 0.000 0.536 1252 G N 0.163 108.890 108.800 -0.121 0.000 3.026 1252 G HA2 0.176 4.134 3.960 -0.004 0.000 0.208 1252 G HA3 0.176 4.134 3.960 -0.004 0.000 0.208 1252 G C 0.432 175.136 174.900 -0.326 0.000 1.169 1252 G CA -0.275 44.703 45.100 -0.204 0.000 0.788 1252 G HN 0.667 nan 8.290 nan 0.000 0.533 1253 K N -0.608 119.634 120.400 -0.262 0.000 2.132 1253 K HA 0.619 4.937 4.320 -0.004 0.000 0.241 1253 K C -0.977 175.378 176.600 -0.408 0.000 1.000 1253 K CA -0.612 55.536 56.287 -0.232 0.000 0.911 1253 K CB 1.119 33.525 32.500 -0.157 0.000 1.093 1253 K HN 0.053 nan 8.250 nan 0.000 0.460 1254 F N -0.254 119.694 119.950 -0.004 0.000 2.575 1254 F HA 0.387 4.911 4.527 -0.004 0.000 0.330 1254 F C 0.233 176.046 175.800 0.021 0.000 1.056 1254 F CA -0.661 57.355 58.000 0.027 0.000 0.964 1254 F CB 1.501 40.499 39.000 -0.003 0.000 1.258 1254 F HN 0.352 nan 8.300 nan 0.000 0.484 1255 D N 0.001 120.550 120.400 0.248 0.000 2.559 1255 D HA 0.500 5.138 4.640 -0.004 0.000 0.250 1255 D C -1.464 174.892 176.300 0.094 0.000 1.135 1255 D CA -0.232 53.859 54.000 0.153 0.000 0.955 1255 D CB 2.562 43.477 40.800 0.192 0.000 1.442 1255 D HN 0.112 nan 8.370 nan 0.000 0.471 1256 I N 1.912 122.507 120.570 0.042 0.000 2.389 1256 I HA 0.281 4.449 4.170 -0.004 0.000 0.288 1256 I C -0.095 176.014 176.117 -0.014 0.000 0.999 1256 I CA -0.442 60.839 61.300 -0.031 0.000 1.129 1256 I CB 1.367 39.310 38.000 -0.094 0.000 1.288 1256 I HN 0.342 nan 8.210 nan 0.000 0.444 1257 Q N 5.345 125.125 119.800 -0.034 0.000 2.337 1257 Q HA 0.426 4.763 4.340 -0.004 0.000 0.266 1257 Q C -1.724 174.257 176.000 -0.032 0.000 1.023 1257 Q CA -0.631 55.186 55.803 0.024 0.000 0.829 1257 Q CB 2.007 30.783 28.738 0.064 0.000 1.306 1257 Q HN 0.442 nan 8.270 nan 0.000 0.449 1258 Y N 3.643 123.974 120.300 0.052 0.000 2.319 1258 Y HA 0.347 4.894 4.550 -0.004 0.000 0.328 1258 Y C 0.349 176.339 175.900 0.150 0.000 1.133 1258 Y CA -0.255 57.898 58.100 0.087 0.000 1.265 1258 Y CB 0.797 39.283 38.460 0.043 0.000 1.218 1258 Y HN 0.479 nan 8.280 nan 0.000 0.508 1259 I N -0.028 120.738 120.570 0.326 0.000 2.934 1259 I HA 0.913 5.081 4.170 -0.004 0.000 0.306 1259 I C -0.745 175.546 176.117 0.289 0.000 1.110 1259 I CA -1.541 59.937 61.300 0.296 0.000 1.019 1259 I CB 2.007 40.127 38.000 0.201 0.000 1.227 1259 I HN 0.555 nan 8.210 nan 0.000 0.434 1260 A N 3.262 126.205 122.820 0.204 0.000 2.401 1260 A HA 0.605 4.922 4.320 -0.004 0.000 0.259 1260 A C -0.379 177.201 177.584 -0.007 0.000 1.103 1260 A CA -0.149 51.859 52.037 -0.047 0.000 0.789 1260 A CB 0.176 19.144 19.000 -0.053 0.000 1.035 1260 A HN 0.842 nan 8.150 nan 0.000 0.491 1261 C N 0.844 120.062 119.300 -0.137 0.000 2.971 1261 C HA 0.913 5.371 4.460 -0.004 0.000 0.310 1261 C C 0.293 175.239 174.990 -0.075 0.000 1.285 1261 C CA -0.065 58.812 59.018 -0.234 0.000 1.593 1261 C CB 1.983 29.506 27.740 -0.362 0.000 2.076 1261 C HN 1.146 nan 8.230 nan 0.000 0.472 1262 S N -0.011 115.670 115.700 -0.031 0.000 2.546 1262 S HA 0.377 4.844 4.470 -0.004 0.000 0.274 1262 S C -0.021 174.622 174.600 0.070 0.000 1.121 1262 S CA -0.405 57.856 58.200 0.102 0.000 0.887 1262 S CB 1.527 64.794 63.200 0.113 0.000 1.094 1262 S HN 0.646 nan 8.310 nan 0.000 0.474 1263 S N 1.049 116.885 115.700 0.227 0.000 2.626 1263 S HA 0.237 4.704 4.470 -0.004 0.000 0.245 1263 S C 1.022 175.688 174.600 0.110 0.000 0.973 1263 S CA 1.123 59.437 58.200 0.190 0.000 0.959 1263 S CB -1.116 62.242 63.200 0.264 0.000 0.762 1263 S HN 1.167 nan 8.310 nan 0.000 0.539 1264 R N 0.000 120.468 120.500 -0.053 0.000 2.786 1264 R HA 0.000 4.338 4.340 -0.004 0.000 0.208 1264 R CA 0.000 56.054 56.100 -0.077 0.000 0.921 1264 R CB 0.000 30.224 30.300 -0.127 0.000 0.687 1264 R HN 0.000 nan 8.270 nan 0.000 0.535