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 1ebd_1_A DATA FIRST_RESID 7 DATA SEQUENCE AIETETLVVG AGPGGYVAAI RAAQLGQKVT IVEKGNLGGV cLNVGcIPSK DATA SEQUENCE ALISASHRYE QAKHSEEMGI KAENVTIDFA KVQEWKASVV KKLTGGVEGL DATA SEQUENCE LKGNKVEIVK GEAYFVDANT VRVVNGDSAQ TYTFKNAIIA TGSRPIELPN DATA SEQUENCE FKFSNRILDS TGALNLGEVP KSLVVIGGGY IGIELGTAYA NFGTKVTILE DATA SEQUENCE GAGEILSGFE KQMAAIIKKR LKKKGVEVVT NALAKGAEER EDGVTVTYEA DATA SEQUENCE NGETKTIDAD YVLVTVGRRP NTDELGLEQI GIKMTNRGLI EVDQQCRTSV DATA SEQUENCE PNIFAIGDIV PGPALAHKAS YEGKVAAEAI AGHPSAVDYV AIPAVVFSDP DATA SEQUENCE ECASVGYFEQ QAKDEGIDVI AAKFPFAANG RALALNDTDG FLKLVVRKED DATA SEQUENCE GVIIGAQIIG PNASDMIAEL GLAIEAGMTA EDIALTIHAH PTLGEIAMEA DATA SEQUENCE AEVAL 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 7 A HA 0.000 nan 4.320 nan 0.000 0.244 7 A C 0.000 177.466 177.584 -0.197 0.000 1.274 7 A CA 0.000 51.957 52.037 -0.133 0.000 0.836 7 A CB 0.000 18.948 19.000 -0.087 0.000 0.831 8 I N 0.740 121.128 120.570 -0.302 0.000 2.499 8 I HA 0.404 4.574 4.170 -0.000 0.000 0.288 8 I C -0.589 175.425 176.117 -0.171 0.000 1.048 8 I CA -0.423 60.675 61.300 -0.338 0.000 1.062 8 I CB 2.096 39.650 38.000 -0.744 0.000 1.238 8 I HN 0.729 nan 8.210 nan 0.000 0.426 9 E N 3.809 123.969 120.200 -0.066 0.000 2.266 9 E HA 0.592 4.942 4.350 -0.000 0.000 0.277 9 E C -0.567 176.077 176.600 0.074 0.000 1.018 9 E CA -0.267 56.140 56.400 0.011 0.000 0.840 9 E CB 1.665 31.364 29.700 -0.002 0.000 1.082 9 E HN 0.671 nan 8.360 nan 0.000 0.395 10 T N -1.178 113.453 114.554 0.129 0.000 2.868 10 T HA 0.326 4.676 4.350 -0.000 0.000 0.306 10 T C 0.410 175.195 174.700 0.141 0.000 1.224 10 T CA -0.924 61.266 62.100 0.150 0.000 1.012 10 T CB 1.582 70.580 68.868 0.217 0.000 1.221 10 T HN 0.321 nan 8.240 nan 0.000 0.499 11 E N 0.977 121.240 120.200 0.106 0.000 2.021 11 E HA 0.085 4.435 4.350 -0.000 0.000 0.191 11 E C 0.039 176.705 176.600 0.109 0.000 0.971 11 E CA 0.783 57.237 56.400 0.091 0.000 0.825 11 E CB -0.014 29.716 29.700 0.051 0.000 0.788 11 E HN 0.624 nan 8.360 nan 0.000 0.460 12 T N 2.113 116.703 114.554 0.059 0.000 2.788 12 T HA 0.334 4.684 4.350 -0.000 0.000 0.296 12 T C -0.660 174.029 174.700 -0.018 0.000 1.009 12 T CA -0.449 61.659 62.100 0.014 0.000 0.949 12 T CB 0.948 69.790 68.868 -0.043 0.000 0.946 12 T HN -0.074 nan 8.240 nan 0.000 0.453 13 L N 5.493 126.677 121.223 -0.066 0.000 2.290 13 L HA 0.588 4.928 4.340 -0.000 0.000 0.284 13 L C -0.704 176.054 176.870 -0.187 0.000 1.078 13 L CA -0.136 54.617 54.840 -0.146 0.000 0.815 13 L CB 0.838 42.739 42.059 -0.263 0.000 1.162 13 L HN 0.387 nan 8.230 nan 0.000 0.435 14 V N 5.992 125.827 119.914 -0.131 0.000 2.409 14 V HA 0.401 4.521 4.120 -0.000 0.000 0.291 14 V C -0.488 175.555 176.094 -0.086 0.000 1.020 14 V CA -0.722 61.520 62.300 -0.097 0.000 0.848 14 V CB 1.894 33.678 31.823 -0.064 0.000 0.990 14 V HN 0.458 nan 8.190 nan 0.000 0.430 15 V N 4.374 124.256 119.914 -0.053 0.000 2.294 15 V HA 0.874 4.994 4.120 -0.000 0.000 0.272 15 V C 0.548 176.643 176.094 0.002 0.000 1.027 15 V CA 0.297 62.580 62.300 -0.030 0.000 0.823 15 V CB 0.601 32.437 31.823 0.022 0.000 1.030 15 V HN 1.254 nan 8.190 nan 0.000 0.457 16 G N 4.015 112.814 108.800 -0.002 0.000 3.187 16 G HA2 0.345 4.305 3.960 -0.000 0.000 0.682 16 G HA3 0.345 4.305 3.960 -0.000 0.000 0.682 16 G C -0.275 174.648 174.900 0.039 0.000 1.266 16 G CA -0.279 44.834 45.100 0.021 0.000 0.902 16 G HN 1.299 nan 8.290 nan 0.000 0.589 17 A N 1.383 124.238 122.820 0.058 0.000 2.827 17 A HA 0.788 5.108 4.320 -0.000 0.000 0.300 17 A C 1.297 179.005 177.584 0.206 0.000 1.237 17 A CA 1.074 53.181 52.037 0.117 0.000 0.964 17 A CB -0.174 18.861 19.000 0.058 0.000 1.143 17 A HN 2.060 nan 8.150 nan 0.000 0.554 18 G N -0.192 108.707 108.800 0.165 0.000 2.510 18 G HA2 0.436 4.396 3.960 -0.000 0.000 0.280 18 G HA3 0.436 4.396 3.960 -0.000 0.000 0.280 18 G C -1.403 173.618 174.900 0.202 0.000 1.386 18 G CA -1.172 44.037 45.100 0.181 0.000 1.047 18 G HN 0.081 nan 8.290 nan 0.000 0.527 19 P HA -0.088 nan 4.420 nan 0.000 0.217 19 P C 1.785 178.896 177.300 -0.314 0.000 1.148 19 P CA 1.893 64.899 63.100 -0.157 0.000 0.828 19 P CB 0.121 31.814 31.700 -0.011 0.000 0.783 20 G N -0.970 107.750 108.800 -0.134 0.000 2.437 20 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.212 20 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.212 20 G C 1.761 176.588 174.900 -0.122 0.000 1.174 20 G CA 0.671 45.700 45.100 -0.117 0.000 0.811 20 G HN 0.317 nan 8.290 nan 0.000 0.537 21 G N 0.629 109.397 108.800 -0.054 0.000 2.421 21 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.216 21 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.216 21 G C 1.723 176.627 174.900 0.006 0.000 1.171 21 G CA 1.436 46.527 45.100 -0.014 0.000 0.775 21 G HN 0.609 nan 8.290 nan 0.000 0.543 22 Y N 1.294 121.582 120.300 -0.021 0.000 2.263 22 Y HA 0.009 4.559 4.550 -0.000 0.000 0.292 22 Y C 2.540 178.423 175.900 -0.028 0.000 1.130 22 Y CA 1.238 59.323 58.100 -0.025 0.000 1.179 22 Y CB -1.022 37.426 38.460 -0.020 0.000 0.998 22 Y HN 0.165 nan 8.280 nan 0.000 0.532 23 V N 0.065 119.719 119.914 -0.433 0.000 2.667 23 V HA 0.028 4.148 4.120 -0.000 0.000 0.252 23 V C 2.334 178.342 176.094 -0.144 0.000 1.065 23 V CA 1.489 63.630 62.300 -0.265 0.000 1.083 23 V CB -1.223 30.394 31.823 -0.344 0.000 0.692 23 V HN 0.503 nan 8.190 nan 0.000 0.468 24 A N 0.569 123.305 122.820 -0.141 0.000 1.929 24 A HA 0.224 4.544 4.320 -0.000 0.000 0.216 24 A C 2.473 180.008 177.584 -0.082 0.000 1.176 24 A CA 1.919 53.888 52.037 -0.114 0.000 0.628 24 A CB -0.924 18.013 19.000 -0.106 0.000 0.816 24 A HN 0.958 nan 8.150 nan 0.000 0.444 25 A N -0.009 122.785 122.820 -0.043 0.000 1.897 25 A HA 0.026 4.346 4.320 -0.000 0.000 0.215 25 A C 2.009 179.586 177.584 -0.011 0.000 1.181 25 A CA 1.388 53.413 52.037 -0.021 0.000 0.620 25 A CB -0.423 18.585 19.000 0.013 0.000 0.821 25 A HN 0.371 nan 8.150 nan 0.000 0.443 26 I N -0.081 120.495 120.570 0.010 0.000 2.090 26 I HA -0.217 3.953 4.170 -0.000 0.000 0.236 26 I C 2.558 178.662 176.117 -0.021 0.000 1.064 26 I CA 1.955 63.264 61.300 0.014 0.000 1.324 26 I CB -1.269 36.758 38.000 0.045 0.000 1.044 26 I HN 0.382 nan 8.210 nan 0.000 0.399 27 R N 1.959 122.430 120.500 -0.049 0.000 2.112 27 R HA -0.192 4.148 4.340 -0.000 0.000 0.242 27 R C 2.226 178.483 176.300 -0.071 0.000 1.137 27 R CA 2.463 58.519 56.100 -0.074 0.000 0.944 27 R CB -1.168 29.064 30.300 -0.113 0.000 0.857 27 R HN 0.355 nan 8.270 nan 0.000 0.435 28 A N 0.045 122.819 122.820 -0.077 0.000 1.940 28 A HA -0.080 4.240 4.320 -0.000 0.000 0.219 28 A C 2.420 179.979 177.584 -0.042 0.000 1.176 28 A CA 2.175 54.169 52.037 -0.072 0.000 0.631 28 A CB -1.099 17.850 19.000 -0.084 0.000 0.814 28 A HN 0.582 nan 8.150 nan 0.000 0.446 29 A N -0.769 122.034 122.820 -0.029 0.000 1.873 29 A HA -0.172 4.148 4.320 -0.000 0.000 0.215 29 A C 2.081 179.658 177.584 -0.011 0.000 1.186 29 A CA 1.463 53.492 52.037 -0.014 0.000 0.616 29 A CB -0.560 18.437 19.000 -0.005 0.000 0.823 29 A HN 0.641 nan 8.150 nan 0.000 0.442 30 Q N -1.046 118.745 119.800 -0.015 0.000 2.291 30 Q HA -0.062 4.278 4.340 -0.000 0.000 0.206 30 Q C 0.656 176.652 176.000 -0.007 0.000 0.976 30 Q CA 0.676 56.473 55.803 -0.010 0.000 0.875 30 Q CB -0.187 28.543 28.738 -0.015 0.000 0.927 30 Q HN 0.438 nan 8.270 nan 0.000 0.450 31 L N -0.247 120.967 121.223 -0.015 0.000 2.672 31 L HA 0.146 4.486 4.340 -0.000 0.000 0.236 31 L C 1.175 178.048 176.870 0.004 0.000 1.186 31 L CA 1.047 55.886 54.840 -0.002 0.000 0.977 31 L CB -0.354 41.693 42.059 -0.020 0.000 1.203 31 L HN 0.325 nan 8.230 nan 0.000 0.448 32 G N -1.281 107.521 108.800 0.002 0.000 2.189 32 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.267 32 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.267 32 G C 0.602 175.504 174.900 0.003 0.000 0.975 32 G CA 0.296 45.399 45.100 0.005 0.000 0.644 32 G HN 0.453 nan 8.290 nan 0.000 0.537 33 Q N -0.409 119.389 119.800 -0.004 0.000 2.368 33 Q HA 0.562 4.902 4.340 -0.000 0.000 0.237 33 Q C -0.255 175.747 176.000 0.002 0.000 0.987 33 Q CA -0.089 55.712 55.803 -0.003 0.000 0.896 33 Q CB 0.478 29.206 28.738 -0.017 0.000 1.241 33 Q HN 0.127 nan 8.270 nan 0.000 0.485 34 K N 1.133 121.540 120.400 0.011 0.000 2.299 34 K HA 0.233 4.553 4.320 -0.000 0.000 0.268 34 K C -1.044 175.569 176.600 0.022 0.000 1.075 34 K CA -0.306 55.992 56.287 0.019 0.000 0.936 34 K CB 0.844 33.360 32.500 0.027 0.000 1.228 34 K HN 0.400 nan 8.250 nan 0.000 0.454 35 V N -0.349 119.571 119.914 0.011 0.000 2.532 35 V HA 0.632 4.752 4.120 -0.000 0.000 0.295 35 V C -0.149 175.950 176.094 0.008 0.000 1.041 35 V CA -0.481 61.821 62.300 0.003 0.000 0.926 35 V CB 1.850 33.662 31.823 -0.017 0.000 0.992 35 V HN 0.534 nan 8.190 nan 0.000 0.457 36 T N 6.277 120.832 114.554 0.001 0.000 2.786 36 T HA 0.557 4.907 4.350 -0.000 0.000 0.283 36 T C -0.468 174.193 174.700 -0.065 0.000 0.992 36 T CA -0.048 62.042 62.100 -0.015 0.000 0.954 36 T CB 1.060 69.936 68.868 0.012 0.000 0.934 36 T HN 0.803 nan 8.240 nan 0.000 0.440 37 I N 4.365 124.898 120.570 -0.063 0.000 2.336 37 I HA 0.530 4.700 4.170 -0.000 0.000 0.292 37 I C -0.837 175.221 176.117 -0.099 0.000 0.991 37 I CA -0.746 60.513 61.300 -0.068 0.000 1.227 37 I CB 0.825 38.810 38.000 -0.026 0.000 1.366 37 I HN 0.295 nan 8.210 nan 0.000 0.466 38 V N 6.632 126.475 119.914 -0.119 0.000 2.370 38 V HA 0.486 4.606 4.120 -0.000 0.000 0.283 38 V C -0.377 175.673 176.094 -0.074 0.000 1.023 38 V CA -0.481 61.739 62.300 -0.134 0.000 0.857 38 V CB 1.286 32.994 31.823 -0.192 0.000 0.985 38 V HN 0.695 nan 8.190 nan 0.000 0.443 39 E N 3.789 123.955 120.200 -0.057 0.000 2.272 39 E HA 0.451 4.801 4.350 -0.000 0.000 0.269 39 E C 0.392 176.977 176.600 -0.026 0.000 0.877 39 E CA -0.740 55.643 56.400 -0.029 0.000 0.755 39 E CB 2.039 31.726 29.700 -0.021 0.000 1.192 39 E HN 0.609 nan 8.360 nan 0.000 0.422 40 K N 2.032 122.424 120.400 -0.012 0.000 2.284 40 K HA 0.333 4.653 4.320 -0.000 0.000 0.198 40 K C 0.877 177.473 176.600 -0.007 0.000 1.048 40 K CA 0.433 56.715 56.287 -0.007 0.000 0.987 40 K CB 0.663 33.166 32.500 0.005 0.000 0.800 40 K HN 0.342 nan 8.250 nan 0.000 0.486 41 G N 0.916 109.711 108.800 -0.008 0.000 3.341 41 G HA2 0.210 4.170 3.960 -0.000 0.000 0.177 41 G HA3 0.210 4.170 3.960 -0.000 0.000 0.177 41 G C -1.090 173.799 174.900 -0.018 0.000 1.236 41 G CA -0.788 44.305 45.100 -0.011 0.000 0.888 41 G HN 0.102 nan 8.290 nan 0.000 0.644 42 N N 0.160 118.846 118.700 -0.022 0.000 2.529 42 N HA 0.422 5.162 4.740 -0.000 0.000 0.278 42 N C 0.032 175.522 175.510 -0.035 0.000 1.146 42 N CA -0.290 52.740 53.050 -0.033 0.000 0.980 42 N CB 1.319 39.783 38.487 -0.038 0.000 1.124 42 N HN 0.219 nan 8.380 nan 0.000 0.458 43 L N 0.882 122.074 121.223 -0.052 0.000 2.467 43 L HA 0.244 4.584 4.340 -0.000 0.000 0.270 43 L C 1.582 178.402 176.870 -0.083 0.000 1.205 43 L CA 0.342 55.141 54.840 -0.069 0.000 0.828 43 L CB 0.369 42.364 42.059 -0.106 0.000 1.101 43 L HN 0.908 nan 8.230 nan 0.000 0.479 44 G N 0.916 109.673 108.800 -0.072 0.000 2.307 44 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.210 44 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.210 44 G C 0.621 175.556 174.900 0.059 0.000 1.005 44 G CA -0.151 44.923 45.100 -0.042 0.000 0.634 44 G HN 1.441 nan 8.290 nan 0.000 0.496 45 G N -1.089 107.733 108.800 0.037 0.000 2.601 45 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.252 45 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.252 45 G C 1.108 176.024 174.900 0.026 0.000 1.294 45 G CA 1.231 46.357 45.100 0.044 0.000 0.912 45 G HN 1.335 nan 8.290 nan 0.000 0.574 46 V N 0.078 120.010 119.914 0.030 0.000 2.287 46 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 46 V C 3.186 179.291 176.094 0.018 0.000 1.053 46 V CA 3.049 65.360 62.300 0.018 0.000 1.027 46 V CB -1.118 30.719 31.823 0.024 0.000 0.646 46 V HN 1.135 nan 8.190 nan 0.000 0.447 47 c N -0.267 118.355 118.600 0.038 0.000 2.376 47 c HA -0.224 4.346 4.570 -0.000 0.000 0.275 47 c C 2.554 176.649 174.090 0.008 0.000 1.200 47 c CA 1.775 58.125 56.329 0.034 0.000 1.756 47 c CB -1.045 41.499 42.510 0.057 0.000 2.050 47 c HN 0.527 nan 8.230 nan 0.000 0.460 48 L N 0.863 122.090 121.223 0.007 0.000 2.095 48 L HA 0.064 4.404 4.340 -0.000 0.000 0.204 48 L C 2.156 178.995 176.870 -0.052 0.000 1.080 48 L CA 2.014 56.837 54.840 -0.028 0.000 0.759 48 L CB -0.956 41.082 42.059 -0.034 0.000 0.914 48 L HN 0.398 nan 8.230 nan 0.000 0.439 49 N N -1.018 117.657 118.700 -0.041 0.000 2.220 49 N HA -0.052 4.688 4.740 -0.000 0.000 0.182 49 N C 1.027 176.504 175.510 -0.054 0.000 1.023 49 N CA 1.391 54.409 53.050 -0.052 0.000 0.856 49 N CB 0.270 38.731 38.487 -0.043 0.000 0.997 49 N HN 0.261 nan 8.380 nan 0.000 0.429 50 V N -4.179 115.710 119.914 -0.041 0.000 3.172 50 V HA 0.668 4.788 4.120 -0.000 0.000 0.343 50 V C 0.467 176.542 176.094 -0.032 0.000 1.429 50 V CA -0.091 62.184 62.300 -0.043 0.000 1.149 50 V CB 0.388 32.184 31.823 -0.046 0.000 1.106 50 V HN 0.170 nan 8.190 nan 0.000 0.526 51 G N -0.040 108.747 108.800 -0.021 0.000 3.387 51 G HA2 0.220 4.180 3.960 -0.000 0.000 0.194 51 G HA3 0.220 4.180 3.960 -0.000 0.000 0.194 51 G C 1.071 175.973 174.900 0.002 0.000 1.417 51 G CA 0.649 45.751 45.100 0.003 0.000 0.777 51 G HN 0.291 nan 8.290 nan 0.000 0.721 52 c N 0.946 119.560 118.600 0.023 0.000 2.284 52 c HA -0.179 4.391 4.570 -0.000 0.000 0.269 52 c C 2.757 176.814 174.090 -0.056 0.000 1.133 52 c CA 0.829 57.163 56.329 0.007 0.000 1.794 52 c CB -1.488 41.024 42.510 0.003 0.000 1.976 52 c HN 0.427 nan 8.230 nan 0.000 0.424 53 I N 2.086 122.612 120.570 -0.072 0.000 2.076 53 I HA -0.117 4.053 4.170 -0.000 0.000 0.237 53 I C 0.005 176.030 176.117 -0.153 0.000 1.059 53 I CA 1.851 63.078 61.300 -0.121 0.000 1.317 53 I CB -2.946 34.982 38.000 -0.121 0.000 1.037 53 I HN 0.188 nan 8.210 nan 0.000 0.398 54 P HA -0.151 nan 4.420 nan 0.000 0.215 54 P C 2.069 179.302 177.300 -0.112 0.000 1.157 54 P CA 2.507 65.521 63.100 -0.144 0.000 0.874 54 P CB -0.121 31.517 31.700 -0.104 0.000 0.790 55 S N -0.691 114.964 115.700 -0.076 0.000 2.356 55 S HA -0.149 4.321 4.470 -0.000 0.000 0.223 55 S C 1.816 176.365 174.600 -0.086 0.000 1.032 55 S CA 1.071 59.241 58.200 -0.050 0.000 1.005 55 S CB -1.059 62.135 63.200 -0.010 0.000 0.867 55 S HN 0.018 nan 8.310 nan 0.000 0.449 56 K N 2.428 122.735 120.400 -0.155 0.000 2.097 56 K HA 0.203 4.523 4.320 -0.000 0.000 0.206 56 K C 2.441 178.951 176.600 -0.151 0.000 1.049 56 K CA 1.316 57.442 56.287 -0.268 0.000 0.933 56 K CB -1.365 30.886 32.500 -0.414 0.000 0.717 56 K HN 0.503 nan 8.250 nan 0.000 0.442 57 A N 1.517 124.255 122.820 -0.137 0.000 1.858 57 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 57 A C 2.269 179.930 177.584 0.128 0.000 1.190 57 A CA 1.402 53.375 52.037 -0.106 0.000 0.617 57 A CB -0.694 18.043 19.000 -0.438 0.000 0.827 57 A HN 0.205 nan 8.150 nan 0.000 0.443 58 L N 0.036 121.286 121.223 0.044 0.000 2.017 58 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 58 L C 2.297 179.245 176.870 0.130 0.000 1.073 58 L CA 1.775 56.694 54.840 0.131 0.000 0.745 58 L CB -0.492 41.595 42.059 0.047 0.000 0.894 58 L HN 0.456 nan 8.230 nan 0.000 0.432 59 I N -1.456 119.130 120.570 0.026 0.000 2.208 59 I HA -0.322 3.848 4.170 -0.000 0.000 0.245 59 I C 2.666 178.794 176.117 0.020 0.000 1.097 59 I CA 1.524 62.816 61.300 -0.012 0.000 1.363 59 I CB -0.519 37.463 38.000 -0.030 0.000 1.051 59 I HN 0.323 nan 8.210 nan 0.000 0.413 60 S N 0.439 116.171 115.700 0.053 0.000 2.368 60 S HA -0.170 4.300 4.470 -0.000 0.000 0.225 60 S C 2.199 176.866 174.600 0.112 0.000 1.030 60 S CA 1.419 59.671 58.200 0.087 0.000 0.999 60 S CB -0.188 63.091 63.200 0.131 0.000 0.844 60 S HN 0.478 nan 8.310 nan 0.000 0.459 61 A N 1.174 124.100 122.820 0.177 0.000 1.898 61 A HA -0.040 4.280 4.320 -0.000 0.000 0.216 61 A C 2.425 180.079 177.584 0.117 0.000 1.181 61 A CA 2.090 54.222 52.037 0.157 0.000 0.620 61 A CB -1.204 17.979 19.000 0.305 0.000 0.819 61 A HN 0.799 nan 8.150 nan 0.000 0.442 62 S N -1.154 114.468 115.700 -0.130 0.000 2.399 62 S HA -0.241 4.229 4.470 -0.000 0.000 0.231 62 S C 1.813 176.269 174.600 -0.240 0.000 1.022 62 S CA 1.685 59.446 58.200 -0.733 0.000 0.983 62 S CB -0.691 61.820 63.200 -1.148 0.000 0.803 62 S HN 0.697 nan 8.310 nan 0.000 0.480 63 H N 1.053 120.048 119.070 -0.124 0.000 2.470 63 H HA 0.287 4.843 4.556 -0.000 0.000 0.289 63 H C 2.344 177.670 175.328 -0.004 0.000 1.033 63 H CA 0.960 56.979 56.048 -0.048 0.000 1.331 63 H CB 0.111 29.856 29.762 -0.028 0.000 1.414 63 H HN 0.167 nan 8.280 nan 0.000 0.545 64 R N -0.557 120.004 120.500 0.100 0.000 2.120 64 R HA -0.160 4.180 4.340 -0.000 0.000 0.234 64 R C 1.669 178.001 176.300 0.054 0.000 1.123 64 R CA 1.100 57.236 56.100 0.061 0.000 0.975 64 R CB -0.731 29.588 30.300 0.032 0.000 0.866 64 R HN 0.467 nan 8.270 nan 0.000 0.446 65 Y N 1.639 121.911 120.300 -0.047 0.000 2.206 65 Y HA -0.137 4.413 4.550 -0.000 0.000 0.292 65 Y C 2.565 178.415 175.900 -0.083 0.000 1.123 65 Y CA 1.756 59.836 58.100 -0.033 0.000 1.142 65 Y CB -0.069 38.409 38.460 0.030 0.000 1.006 65 Y HN 0.146 nan 8.280 nan 0.000 0.518 66 E N -0.108 120.071 120.200 -0.034 0.000 2.070 66 E HA -0.315 4.035 4.350 -0.000 0.000 0.197 66 E C 2.028 178.562 176.600 -0.111 0.000 1.004 66 E CA 1.999 58.332 56.400 -0.112 0.000 0.805 66 E CB -0.202 29.248 29.700 -0.417 0.000 0.744 66 E HN 0.629 nan 8.360 nan 0.000 0.451 67 Q N -0.070 119.651 119.800 -0.132 0.000 2.046 67 Q HA -0.136 4.204 4.340 -0.000 0.000 0.200 67 Q C 2.345 178.289 176.000 -0.094 0.000 0.975 67 Q CA 1.228 56.991 55.803 -0.067 0.000 0.836 67 Q CB -0.217 28.518 28.738 -0.006 0.000 0.896 67 Q HN 0.403 nan 8.270 nan 0.000 0.428 68 A N 1.694 124.432 122.820 -0.137 0.000 1.892 68 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 68 A C 2.016 179.459 177.584 -0.234 0.000 1.188 68 A CA 1.750 53.688 52.037 -0.165 0.000 0.631 68 A CB -0.425 18.465 19.000 -0.184 0.000 0.822 68 A HN 0.178 nan 8.150 nan 0.000 0.447 69 K N -1.756 118.422 120.400 -0.370 0.000 2.366 69 K HA -0.058 4.262 4.320 -0.000 0.000 0.198 69 K C -0.044 176.186 176.600 -0.615 0.000 1.044 69 K CA 0.917 56.887 56.287 -0.528 0.000 0.973 69 K CB -0.039 32.028 32.500 -0.722 0.000 0.767 69 K HN 0.741 nan 8.250 nan 0.000 0.475 70 H N -1.483 117.510 119.070 -0.129 0.000 2.676 70 H HA 0.198 4.754 4.556 -0.000 0.000 0.238 70 H C -0.455 174.835 175.328 -0.063 0.000 1.276 70 H CA -0.274 55.721 56.048 -0.087 0.000 0.983 70 H CB 1.169 30.880 29.762 -0.085 0.000 2.000 70 H HN -0.049 nan 8.280 nan 0.000 0.584 71 S N 0.260 115.968 115.700 0.014 0.000 2.583 71 S HA -0.012 4.458 4.470 -0.000 0.000 0.239 71 S C 1.361 175.966 174.600 0.007 0.000 0.966 71 S CA -0.095 58.111 58.200 0.010 0.000 0.973 71 S CB 0.176 63.370 63.200 -0.010 0.000 0.794 71 S HN 0.511 nan 8.310 nan 0.000 0.463 72 E N 2.321 122.532 120.200 0.018 0.000 2.068 72 E HA -0.264 4.086 4.350 -0.000 0.000 0.207 72 E C 1.700 178.307 176.600 0.012 0.000 1.032 72 E CA 1.715 58.123 56.400 0.014 0.000 0.839 72 E CB -0.217 29.504 29.700 0.035 0.000 0.758 72 E HN 0.581 nan 8.360 nan 0.000 0.457 73 E N 0.188 120.399 120.200 0.017 0.000 2.130 73 E HA -0.193 4.157 4.350 -0.000 0.000 0.196 73 E C 1.817 178.423 176.600 0.010 0.000 0.998 73 E CA 1.200 57.608 56.400 0.013 0.000 0.806 73 E CB -0.179 29.529 29.700 0.014 0.000 0.738 73 E HN 0.344 nan 8.360 nan 0.000 0.459 74 M N -0.574 119.032 119.600 0.010 0.000 2.659 74 M HA 0.088 4.568 4.480 -0.000 0.000 0.243 74 M C 1.029 177.331 176.300 0.003 0.000 1.111 74 M CA 0.647 55.951 55.300 0.007 0.000 1.070 74 M CB 0.508 33.112 32.600 0.008 0.000 1.525 74 M HN 0.278 nan 8.290 nan 0.000 0.517 75 G N 1.638 110.438 108.800 0.001 0.000 2.136 75 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.242 75 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.242 75 G C -0.246 174.650 174.900 -0.007 0.000 0.989 75 G CA -0.280 44.819 45.100 -0.002 0.000 0.682 75 G HN 0.407 nan 8.290 nan 0.000 0.522 76 I N 0.514 121.078 120.570 -0.011 0.000 2.330 76 I HA 0.513 4.683 4.170 -0.000 0.000 0.289 76 I C -0.220 175.880 176.117 -0.029 0.000 1.001 76 I CA -0.860 60.428 61.300 -0.019 0.000 1.193 76 I CB 1.869 39.856 38.000 -0.021 0.000 1.345 76 I HN -0.059 nan 8.210 nan 0.000 0.461 77 K N 5.665 126.047 120.400 -0.031 0.000 2.389 77 K HA 0.728 5.048 4.320 -0.000 0.000 0.261 77 K C -0.463 176.106 176.600 -0.052 0.000 1.014 77 K CA -0.255 56.008 56.287 -0.041 0.000 0.920 77 K CB 1.621 34.103 32.500 -0.030 0.000 1.149 77 K HN 0.596 nan 8.250 nan 0.000 0.444 78 A N 2.446 125.220 122.820 -0.077 0.000 2.301 78 A HA 0.464 4.784 4.320 -0.000 0.000 0.298 78 A C -0.595 176.937 177.584 -0.087 0.000 1.185 78 A CA -0.389 51.597 52.037 -0.085 0.000 0.830 78 A CB 0.494 19.424 19.000 -0.116 0.000 1.112 78 A HN 0.565 nan 8.150 nan 0.000 0.508 79 E N 1.538 121.699 120.200 -0.064 0.000 2.145 79 E HA 0.397 4.747 4.350 -0.000 0.000 0.270 79 E C -0.380 176.191 176.600 -0.048 0.000 0.906 79 E CA -0.005 56.363 56.400 -0.054 0.000 0.761 79 E CB 0.513 30.192 29.700 -0.035 0.000 1.116 79 E HN 0.737 nan 8.360 nan 0.000 0.408 80 N N 2.616 121.286 118.700 -0.050 0.000 2.522 80 N HA -0.157 4.583 4.740 -0.000 0.000 0.281 80 N C -1.712 173.778 175.510 -0.032 0.000 1.267 80 N CA 0.444 53.477 53.050 -0.029 0.000 0.675 80 N CB -0.636 37.845 38.487 -0.011 0.000 0.890 80 N HN 0.174 nan 8.380 nan 0.000 0.542 81 V N 2.614 122.490 119.914 -0.062 0.000 2.385 81 V HA 0.412 4.532 4.120 -0.000 0.000 0.269 81 V C 1.123 177.267 176.094 0.084 0.000 1.043 81 V CA -0.173 62.083 62.300 -0.074 0.000 0.906 81 V CB 1.267 32.914 31.823 -0.294 0.000 0.995 81 V HN 0.549 nan 8.190 nan 0.000 0.467 82 T N 5.116 119.747 114.554 0.127 0.000 2.943 82 T HA 0.712 5.062 4.350 -0.000 0.000 0.284 82 T C -0.731 174.128 174.700 0.265 0.000 1.015 82 T CA -0.266 61.946 62.100 0.187 0.000 1.042 82 T CB 1.244 70.170 68.868 0.096 0.000 1.055 82 T HN 0.516 nan 8.240 nan 0.000 0.500 83 I N 2.734 123.427 120.570 0.204 0.000 2.529 83 I HA 0.338 4.508 4.170 -0.000 0.000 0.284 83 I C -1.248 174.917 176.117 0.080 0.000 1.088 83 I CA -0.628 60.761 61.300 0.148 0.000 1.062 83 I CB 1.662 39.685 38.000 0.040 0.000 1.218 83 I HN 0.386 nan 8.210 nan 0.000 0.442 84 D N 6.318 126.761 120.400 0.072 0.000 2.483 84 D HA 0.053 4.693 4.640 -0.000 0.000 0.220 84 D C 0.955 177.297 176.300 0.069 0.000 1.173 84 D CA 0.005 54.041 54.000 0.061 0.000 0.964 84 D CB 0.072 40.894 40.800 0.037 0.000 1.046 84 D HN 0.469 nan 8.370 nan 0.000 0.517 85 F N 2.853 122.735 119.950 -0.114 0.000 2.236 85 F HA -0.186 4.340 4.527 -0.000 0.000 0.302 85 F C 2.132 177.888 175.800 -0.073 0.000 1.073 85 F CA 1.290 59.198 58.000 -0.153 0.000 1.336 85 F CB -0.049 38.832 39.000 -0.198 0.000 1.040 85 F HN 0.471 nan 8.300 nan 0.000 0.507 86 A N -0.325 122.529 122.820 0.056 0.000 1.877 86 A HA -0.249 4.071 4.320 -0.000 0.000 0.216 86 A C 2.186 179.747 177.584 -0.037 0.000 1.186 86 A CA 1.952 53.992 52.037 0.005 0.000 0.620 86 A CB -0.671 18.346 19.000 0.028 0.000 0.822 86 A HN 0.270 nan 8.150 nan 0.000 0.443 87 K N 0.071 120.458 120.400 -0.020 0.000 2.057 87 K HA -0.054 4.266 4.320 -0.000 0.000 0.206 87 K C 1.692 178.291 176.600 -0.001 0.000 1.050 87 K CA 1.815 58.100 56.287 -0.004 0.000 0.935 87 K CB -0.902 31.596 32.500 -0.002 0.000 0.715 87 K HN 0.196 nan 8.250 nan 0.000 0.439 88 V N 1.511 121.371 119.914 -0.090 0.000 2.282 88 V HA -0.300 3.820 4.120 -0.000 0.000 0.249 88 V C 2.481 178.514 176.094 -0.100 0.000 1.057 88 V CA 2.091 64.327 62.300 -0.107 0.000 1.032 88 V CB -0.588 30.969 31.823 -0.443 0.000 0.645 88 V HN 0.417 nan 8.190 nan 0.000 0.447 89 Q N -0.369 119.259 119.800 -0.286 0.000 2.119 89 Q HA -0.179 4.161 4.340 -0.000 0.000 0.201 89 Q C 2.257 178.198 176.000 -0.098 0.000 0.972 89 Q CA 1.404 57.072 55.803 -0.225 0.000 0.847 89 Q CB -0.272 28.328 28.738 -0.230 0.000 0.903 89 Q HN 0.723 nan 8.270 nan 0.000 0.433 90 E N -0.123 120.055 120.200 -0.037 0.000 2.038 90 E HA -0.214 4.136 4.350 -0.000 0.000 0.195 90 E C 1.699 178.318 176.600 0.031 0.000 1.000 90 E CA 1.210 57.609 56.400 -0.002 0.000 0.803 90 E CB -0.282 29.433 29.700 0.025 0.000 0.750 90 E HN 0.382 nan 8.360 nan 0.000 0.448 91 W N 2.479 123.723 121.300 -0.094 0.000 2.335 91 W HA -0.251 4.409 4.660 -0.000 0.000 0.311 91 W C 2.234 178.703 176.519 -0.084 0.000 1.213 91 W CA 2.006 59.304 57.345 -0.079 0.000 1.274 91 W CB -0.264 29.151 29.460 -0.075 0.000 1.148 91 W HN -0.133 nan 8.180 nan 0.000 0.498 92 K N 0.272 120.443 120.400 -0.381 0.000 2.103 92 K HA -0.210 4.110 4.320 -0.000 0.000 0.207 92 K C 2.139 178.491 176.600 -0.412 0.000 1.048 92 K CA 1.987 57.906 56.287 -0.613 0.000 0.930 92 K CB -0.589 31.699 32.500 -0.352 0.000 0.716 92 K HN 0.171 nan 8.250 nan 0.000 0.444 93 A N 1.069 123.741 122.820 -0.246 0.000 1.877 93 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 93 A C 2.190 179.671 177.584 -0.171 0.000 1.186 93 A CA 2.313 54.247 52.037 -0.172 0.000 0.620 93 A CB -0.947 17.988 19.000 -0.107 0.000 0.822 93 A HN 0.609 nan 8.150 nan 0.000 0.443 94 S N -0.339 115.261 115.700 -0.165 0.000 2.382 94 S HA -0.132 4.338 4.470 -0.000 0.000 0.228 94 S C 1.768 176.262 174.600 -0.176 0.000 1.027 94 S CA 1.413 59.535 58.200 -0.129 0.000 0.991 94 S CB -1.047 62.114 63.200 -0.064 0.000 0.823 94 S HN 0.249 nan 8.310 nan 0.000 0.469 95 V N 2.009 121.739 119.914 -0.307 0.000 2.233 95 V HA -0.176 3.944 4.120 -0.000 0.000 0.247 95 V C 2.711 178.675 176.094 -0.216 0.000 1.050 95 V CA 1.912 64.028 62.300 -0.305 0.000 1.010 95 V CB -0.943 30.576 31.823 -0.508 0.000 0.637 95 V HN 0.475 nan 8.190 nan 0.000 0.444 96 V N -0.361 119.418 119.914 -0.225 0.000 2.324 96 V HA -0.275 3.845 4.120 -0.000 0.000 0.250 96 V C 2.597 178.617 176.094 -0.124 0.000 1.060 96 V CA 1.849 64.052 62.300 -0.162 0.000 1.042 96 V CB -0.784 30.947 31.823 -0.153 0.000 0.650 96 V HN 0.461 nan 8.190 nan 0.000 0.450 97 K N 0.163 120.492 120.400 -0.118 0.000 2.097 97 K HA -0.184 4.136 4.320 -0.000 0.000 0.206 97 K C 2.151 178.701 176.600 -0.083 0.000 1.049 97 K CA 1.414 57.646 56.287 -0.091 0.000 0.933 97 K CB -0.328 32.125 32.500 -0.079 0.000 0.717 97 K HN 0.484 nan 8.250 nan 0.000 0.442 98 K N 0.552 120.901 120.400 -0.086 0.000 2.002 98 K HA -0.103 4.217 4.320 -0.000 0.000 0.209 98 K C 2.005 178.562 176.600 -0.073 0.000 1.048 98 K CA 0.846 57.091 56.287 -0.070 0.000 0.930 98 K CB 0.055 32.517 32.500 -0.064 0.000 0.714 98 K HN -0.081 nan 8.250 nan 0.000 0.438 99 L N 1.251 122.424 121.223 -0.083 0.000 2.046 99 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 99 L C 2.699 179.506 176.870 -0.104 0.000 1.077 99 L CA 2.331 57.122 54.840 -0.081 0.000 0.747 99 L CB -1.969 40.045 42.059 -0.076 0.000 0.896 99 L HN 0.482 nan 8.230 nan 0.000 0.432 100 T N -3.210 111.280 114.554 -0.106 0.000 2.867 100 T HA -0.066 4.284 4.350 -0.000 0.000 0.268 100 T C 2.023 176.651 174.700 -0.120 0.000 1.057 100 T CA 0.941 62.967 62.100 -0.123 0.000 1.136 100 T CB -0.860 67.947 68.868 -0.101 0.000 0.874 100 T HN 0.304 nan 8.240 nan 0.000 0.466 101 G N 1.477 110.221 108.800 -0.094 0.000 2.440 101 G HA2 0.054 4.014 3.960 -0.000 0.000 0.218 101 G HA3 0.054 4.014 3.960 -0.000 0.000 0.218 101 G C 1.675 176.523 174.900 -0.088 0.000 1.154 101 G CA 0.704 45.756 45.100 -0.080 0.000 0.767 101 G HN 0.649 nan 8.290 nan 0.000 0.552 102 G N 0.614 109.360 108.800 -0.091 0.000 2.480 102 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.216 102 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.216 102 G C 1.814 176.634 174.900 -0.133 0.000 1.200 102 G CA 1.491 46.538 45.100 -0.089 0.000 0.782 102 G HN 0.316 nan 8.290 nan 0.000 0.554 103 V N 0.804 120.584 119.914 -0.224 0.000 2.317 103 V HA -0.227 3.893 4.120 -0.000 0.000 0.251 103 V C 2.754 178.694 176.094 -0.257 0.000 1.065 103 V CA 2.264 64.326 62.300 -0.396 0.000 1.049 103 V CB -0.442 30.976 31.823 -0.675 0.000 0.651 103 V HN 0.400 nan 8.190 nan 0.000 0.450 104 E N 0.357 120.448 120.200 -0.182 0.000 2.097 104 E HA -0.220 4.130 4.350 -0.000 0.000 0.196 104 E C 2.279 178.828 176.600 -0.084 0.000 1.000 104 E CA 1.778 58.107 56.400 -0.118 0.000 0.804 104 E CB -0.505 29.139 29.700 -0.092 0.000 0.740 104 E HN 0.618 nan 8.360 nan 0.000 0.454 105 G N 0.972 109.725 108.800 -0.078 0.000 2.434 105 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.214 105 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.214 105 G C 1.591 176.466 174.900 -0.041 0.000 1.202 105 G CA 0.786 45.856 45.100 -0.051 0.000 0.788 105 G HN 0.191 nan 8.290 nan 0.000 0.539 106 L N 0.567 121.761 121.223 -0.047 0.000 2.051 106 L HA -0.110 4.230 4.340 -0.000 0.000 0.214 106 L C 2.907 179.775 176.870 -0.004 0.000 1.076 106 L CA 1.168 55.998 54.840 -0.016 0.000 0.758 106 L CB -0.809 41.252 42.059 0.002 0.000 0.890 106 L HN 0.194 nan 8.230 nan 0.000 0.433 107 L N -1.183 120.027 121.223 -0.022 0.000 2.027 107 L HA -0.237 4.103 4.340 -0.000 0.000 0.206 107 L C 2.556 179.422 176.870 -0.007 0.000 1.074 107 L CA 1.383 56.219 54.840 -0.006 0.000 0.745 107 L CB -0.501 41.544 42.059 -0.023 0.000 0.898 107 L HN 0.248 nan 8.230 nan 0.000 0.433 108 K N -0.025 120.365 120.400 -0.016 0.000 2.057 108 K HA -0.081 4.239 4.320 -0.000 0.000 0.206 108 K C 1.889 178.485 176.600 -0.006 0.000 1.050 108 K CA 1.203 57.484 56.287 -0.011 0.000 0.935 108 K CB -0.482 32.008 32.500 -0.015 0.000 0.715 108 K HN 0.357 nan 8.250 nan 0.000 0.439 109 G N 0.882 109.679 108.800 -0.006 0.000 2.740 109 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.208 109 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.208 109 G C 0.640 175.541 174.900 0.002 0.000 1.148 109 G CA 0.374 45.473 45.100 -0.002 0.000 0.795 109 G HN 0.308 nan 8.290 nan 0.000 0.526 110 N N -0.219 118.483 118.700 0.004 0.000 2.232 110 N HA 0.048 4.788 4.740 -0.000 0.000 0.240 110 N C 0.020 175.533 175.510 0.005 0.000 1.307 110 N CA -0.244 52.809 53.050 0.006 0.000 0.859 110 N CB 0.663 39.155 38.487 0.010 0.000 1.260 110 N HN 0.254 nan 8.380 nan 0.000 0.501 111 K N 1.595 121.997 120.400 0.004 0.000 3.490 111 K HA -0.170 4.149 4.320 -0.000 0.000 0.273 111 K C -1.170 175.435 176.600 0.007 0.000 0.916 111 K CA 0.182 56.472 56.287 0.006 0.000 0.718 111 K CB -1.070 31.434 32.500 0.007 0.000 1.477 111 K HN -0.050 nan 8.250 nan 0.000 0.452 112 V N 2.056 121.973 119.914 0.006 0.000 2.394 112 V HA 0.135 4.255 4.120 -0.000 0.000 0.282 112 V C 0.498 176.595 176.094 0.005 0.000 1.031 112 V CA -0.484 61.819 62.300 0.006 0.000 0.881 112 V CB 1.509 33.335 31.823 0.005 0.000 0.982 112 V HN 0.375 nan 8.190 nan 0.000 0.451 113 E N 5.103 125.309 120.200 0.011 0.000 2.104 113 E HA 0.261 4.611 4.350 -0.000 0.000 0.278 113 E C -0.579 176.017 176.600 -0.006 0.000 1.127 113 E CA -0.340 56.069 56.400 0.014 0.000 0.897 113 E CB 0.425 30.151 29.700 0.042 0.000 1.043 113 E HN 0.596 nan 8.360 nan 0.000 0.410 114 I N 4.301 124.864 120.570 -0.012 0.000 2.474 114 I HA 0.127 4.297 4.170 -0.000 0.000 0.287 114 I C -0.363 175.735 176.117 -0.033 0.000 1.048 114 I CA -0.651 60.633 61.300 -0.028 0.000 1.383 114 I CB 1.283 39.267 38.000 -0.026 0.000 1.412 114 I HN 0.244 nan 8.210 nan 0.000 0.531 115 V N 6.176 126.051 119.914 -0.065 0.000 2.443 115 V HA 0.280 4.400 4.120 -0.000 0.000 0.293 115 V C -0.180 175.872 176.094 -0.069 0.000 1.021 115 V CA -1.031 61.224 62.300 -0.075 0.000 0.848 115 V CB 1.532 33.247 31.823 -0.180 0.000 0.998 115 V HN 0.541 nan 8.190 nan 0.000 0.424 116 K N 3.754 124.133 120.400 -0.036 0.000 2.316 116 K HA 0.723 5.043 4.320 -0.000 0.000 0.289 116 K C 0.399 176.985 176.600 -0.024 0.000 1.070 116 K CA 0.198 56.468 56.287 -0.028 0.000 0.928 116 K CB 1.207 33.698 32.500 -0.015 0.000 1.039 116 K HN 1.070 nan 8.250 nan 0.000 0.480 117 G N 1.420 110.202 108.800 -0.030 0.000 2.325 117 G HA2 0.047 4.007 3.960 -0.000 0.000 0.297 117 G HA3 0.047 4.007 3.960 -0.000 0.000 0.297 117 G C -1.728 173.159 174.900 -0.021 0.000 1.448 117 G CA -0.822 44.267 45.100 -0.020 0.000 0.838 117 G HN 0.411 nan 8.290 nan 0.000 0.579 118 E N 0.101 120.301 120.200 -0.001 0.000 2.134 118 E HA 0.620 4.969 4.350 -0.000 0.000 0.278 118 E C 0.458 177.070 176.600 0.021 0.000 0.959 118 E CA -0.509 55.901 56.400 0.016 0.000 0.783 118 E CB 1.285 31.008 29.700 0.038 0.000 1.095 118 E HN 0.852 nan 8.360 nan 0.000 0.399 119 A N 4.301 127.121 122.820 0.000 0.000 2.304 119 A HA 0.429 4.749 4.320 -0.000 0.000 0.271 119 A C -1.352 176.271 177.584 0.066 0.000 1.091 119 A CA -0.209 51.802 52.037 -0.044 0.000 0.812 119 A CB 0.422 19.322 19.000 -0.167 0.000 1.056 119 A HN 0.717 nan 8.150 nan 0.000 0.489 120 Y N -0.229 119.979 120.300 -0.154 0.000 2.436 120 Y HA 0.484 5.034 4.550 -0.000 0.000 0.327 120 Y C -1.642 174.185 175.900 -0.121 0.000 1.138 120 Y CA -0.954 57.127 58.100 -0.032 0.000 1.042 120 Y CB 1.166 39.644 38.460 0.031 0.000 1.302 120 Y HN 0.587 nan 8.280 nan 0.000 0.439 121 F N 6.344 126.113 119.950 -0.302 0.000 2.438 121 F HA 0.239 4.766 4.527 -0.000 0.000 0.360 121 F C 1.210 177.017 175.800 0.012 0.000 1.118 121 F CA -0.152 57.804 58.000 -0.074 0.000 1.164 121 F CB 0.791 39.738 39.000 -0.088 0.000 1.131 121 F HN 0.456 nan 8.300 nan 0.000 0.527 122 V N -0.871 119.185 119.914 0.236 0.000 2.878 122 V HA 0.089 4.209 4.120 -0.000 0.000 0.250 122 V C 0.406 176.605 176.094 0.174 0.000 1.075 122 V CA 1.223 63.663 62.300 0.233 0.000 1.096 122 V CB -0.425 31.503 31.823 0.174 0.000 0.724 122 V HN 0.771 nan 8.190 nan 0.000 0.467 123 D N -1.434 119.071 120.400 0.175 0.000 2.713 123 D HA 0.321 4.961 4.640 -0.000 0.000 0.306 123 D C 0.497 176.905 176.300 0.181 0.000 1.299 123 D CA 0.047 54.125 54.000 0.131 0.000 0.823 123 D CB 1.526 42.365 40.800 0.065 0.000 1.353 123 D HN 0.153 nan 8.370 nan 0.000 0.447 124 A N 0.014 122.910 122.820 0.126 0.000 2.264 124 A HA 0.011 4.331 4.320 -0.000 0.000 0.207 124 A C 1.062 178.719 177.584 0.122 0.000 1.196 124 A CA 1.110 53.244 52.037 0.162 0.000 0.778 124 A CB -1.100 17.957 19.000 0.094 0.000 0.779 124 A HN 0.556 nan 8.150 nan 0.000 0.483 125 N N -2.344 116.306 118.700 -0.083 0.000 1.986 125 N HA 0.088 4.828 4.740 -0.000 0.000 0.227 125 N C -1.001 173.927 175.510 -0.971 0.000 1.387 125 N CA 0.316 52.994 53.050 -0.620 0.000 0.810 125 N CB 1.088 39.373 38.487 -0.336 0.000 1.140 125 N HN 0.126 nan 8.380 nan 0.000 0.504 126 T N -0.312 114.041 114.554 -0.335 0.000 2.956 126 T HA 0.471 4.821 4.350 -0.000 0.000 0.312 126 T C -1.313 173.474 174.700 0.145 0.000 1.151 126 T CA -0.444 61.594 62.100 -0.103 0.000 1.024 126 T CB 2.541 71.372 68.868 -0.062 0.000 1.140 126 T HN -0.292 nan 8.240 nan 0.000 0.473 127 V N 3.000 123.015 119.914 0.168 0.000 2.604 127 V HA 0.624 4.744 4.120 -0.000 0.000 0.305 127 V C -0.320 175.824 176.094 0.083 0.000 1.043 127 V CA -1.156 61.141 62.300 -0.006 0.000 0.888 127 V CB 1.972 33.660 31.823 -0.226 0.000 0.995 127 V HN 0.908 nan 8.190 nan 0.000 0.429 128 R N 3.988 124.539 120.500 0.086 0.000 2.312 128 R HA 0.750 5.090 4.340 -0.000 0.000 0.311 128 R C -1.417 174.936 176.300 0.088 0.000 1.004 128 R CA -0.450 55.720 56.100 0.117 0.000 0.902 128 R CB 1.332 31.703 30.300 0.119 0.000 1.073 128 R HN 0.316 nan 8.270 nan 0.000 0.457 129 V N 4.765 124.739 119.914 0.101 0.000 2.384 129 V HA 0.432 4.552 4.120 -0.000 0.000 0.287 129 V C -0.121 176.008 176.094 0.058 0.000 1.020 129 V CA -0.825 61.503 62.300 0.046 0.000 0.850 129 V CB 1.516 33.335 31.823 -0.007 0.000 0.987 129 V HN 0.736 nan 8.190 nan 0.000 0.436 130 V N 2.360 122.295 119.914 0.035 0.000 2.581 130 V HA 0.827 4.947 4.120 -0.000 0.000 0.303 130 V C -0.598 175.508 176.094 0.020 0.000 1.041 130 V CA -0.577 61.739 62.300 0.027 0.000 0.907 130 V CB 1.687 33.518 31.823 0.013 0.000 0.994 130 V HN 0.944 nan 8.190 nan 0.000 0.442 131 N N 2.632 121.344 118.700 0.020 0.000 2.578 131 N HA 0.598 5.338 4.740 -0.000 0.000 0.282 131 N C 0.012 175.530 175.510 0.013 0.000 1.119 131 N CA 0.707 53.766 53.050 0.015 0.000 0.948 131 N CB 1.794 40.291 38.487 0.017 0.000 1.546 131 N HN 1.661 nan 8.380 nan 0.000 0.525 132 G N 3.100 111.905 108.800 0.009 0.000 2.550 132 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.277 132 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.277 132 G C 0.113 175.017 174.900 0.007 0.000 1.190 132 G CA 0.562 45.666 45.100 0.007 0.000 0.971 132 G HN 0.837 nan 8.290 nan 0.000 0.559 133 D N 0.542 120.946 120.400 0.006 0.000 2.358 133 D HA 0.292 4.932 4.640 -0.000 0.000 0.224 133 D C 0.991 177.296 176.300 0.007 0.000 1.123 133 D CA 0.881 54.883 54.000 0.005 0.000 0.833 133 D CB -0.338 40.464 40.800 0.003 0.000 0.946 133 D HN 0.981 nan 8.370 nan 0.000 0.505 134 S N -0.616 115.091 115.700 0.012 0.000 2.472 134 S HA 0.791 5.261 4.470 -0.000 0.000 0.303 134 S C -0.386 174.230 174.600 0.026 0.000 1.099 134 S CA -0.915 57.296 58.200 0.017 0.000 1.077 134 S CB 2.195 65.406 63.200 0.020 0.000 1.031 134 S HN 0.353 nan 8.310 nan 0.000 0.487 135 A N 1.726 124.563 122.820 0.029 0.000 2.371 135 A HA 0.807 5.127 4.320 -0.000 0.000 0.311 135 A C -0.796 176.822 177.584 0.058 0.000 1.068 135 A CA -0.705 51.358 52.037 0.043 0.000 0.744 135 A CB 1.845 20.862 19.000 0.028 0.000 1.239 135 A HN 0.760 nan 8.150 nan 0.000 0.435 136 Q N 0.596 120.461 119.800 0.107 0.000 2.356 136 Q HA 0.607 4.947 4.340 -0.000 0.000 0.270 136 Q C -0.982 175.122 176.000 0.173 0.000 1.058 136 Q CA -0.084 55.786 55.803 0.112 0.000 0.802 136 Q CB 1.818 30.660 28.738 0.174 0.000 1.303 136 Q HN 0.646 nan 8.270 nan 0.000 0.444 137 T N 3.945 118.524 114.554 0.043 0.000 2.806 137 T HA 0.489 4.839 4.350 -0.000 0.000 0.290 137 T C -1.095 173.591 174.700 -0.024 0.000 0.966 137 T CA -0.009 62.134 62.100 0.072 0.000 1.060 137 T CB 0.172 69.049 68.868 0.016 0.000 0.927 137 T HN 0.362 nan 8.240 nan 0.000 0.485 138 Y N 1.224 121.540 120.300 0.026 0.000 2.350 138 Y HA 0.409 4.959 4.550 -0.000 0.000 0.338 138 Y C 0.611 176.545 175.900 0.057 0.000 0.961 138 Y CA -0.926 57.203 58.100 0.048 0.000 1.100 138 Y CB 1.785 40.287 38.460 0.069 0.000 1.179 138 Y HN 0.517 nan 8.280 nan 0.000 0.454 139 T N 5.710 120.327 114.554 0.106 0.000 2.758 139 T HA 0.521 4.871 4.350 -0.000 0.000 0.285 139 T C -0.613 174.100 174.700 0.021 0.000 0.981 139 T CA -0.561 61.510 62.100 -0.048 0.000 0.965 139 T CB -0.163 68.648 68.868 -0.094 0.000 0.927 139 T HN 0.388 nan 8.240 nan 0.000 0.448 140 F N 1.063 121.059 119.950 0.077 0.000 2.509 140 F HA 0.724 5.251 4.527 -0.000 0.000 0.334 140 F C 1.202 177.037 175.800 0.059 0.000 1.060 140 F CA -1.391 56.651 58.000 0.070 0.000 0.997 140 F CB 0.935 39.978 39.000 0.071 0.000 1.271 140 F HN 0.208 nan 8.300 nan 0.000 0.488 141 K N -0.126 120.449 120.400 0.290 0.000 2.168 141 K HA 0.224 4.544 4.320 -0.000 0.000 0.201 141 K C -0.460 176.317 176.600 0.295 0.000 1.049 141 K CA 0.670 57.067 56.287 0.182 0.000 0.974 141 K CB -0.037 32.531 32.500 0.115 0.000 0.792 141 K HN 0.758 nan 8.250 nan 0.000 0.463 142 N N -0.718 118.190 118.700 0.347 0.000 2.357 142 N HA 0.439 5.179 4.740 -0.000 0.000 0.284 142 N C -1.525 174.027 175.510 0.069 0.000 1.236 142 N CA -0.464 52.727 53.050 0.235 0.000 0.774 142 N CB 2.254 40.760 38.487 0.032 0.000 1.534 142 N HN 0.006 nan 8.380 nan 0.000 0.478 143 A N 0.983 123.757 122.820 -0.077 0.000 2.488 143 A HA 0.710 5.030 4.320 -0.000 0.000 0.298 143 A C -1.211 176.312 177.584 -0.102 0.000 1.044 143 A CA -0.568 51.272 52.037 -0.329 0.000 0.693 143 A CB 0.903 19.452 19.000 -0.752 0.000 1.272 143 A HN 0.566 nan 8.150 nan 0.000 0.402 144 I N 3.208 123.717 120.570 -0.102 0.000 2.411 144 I HA 0.316 4.486 4.170 -0.000 0.000 0.284 144 I C -0.728 175.391 176.117 0.004 0.000 1.012 144 I CA -0.276 61.013 61.300 -0.020 0.000 1.119 144 I CB 1.516 39.476 38.000 -0.066 0.000 1.261 144 I HN 0.501 nan 8.210 nan 0.000 0.448 145 I N 5.835 126.423 120.570 0.030 0.000 2.363 145 I HA 0.339 4.509 4.170 -0.000 0.000 0.292 145 I C 0.714 176.848 176.117 0.028 0.000 1.075 145 I CA 0.126 61.448 61.300 0.037 0.000 1.333 145 I CB 0.986 38.975 38.000 -0.019 0.000 1.415 145 I HN 0.699 nan 8.210 nan 0.000 0.502 146 A N 3.934 126.772 122.820 0.030 0.000 3.253 146 A HA 0.280 4.600 4.320 -0.000 0.000 0.290 146 A C 0.957 178.560 177.584 0.032 0.000 0.950 146 A CA -0.407 51.645 52.037 0.024 0.000 0.986 146 A CB -0.311 18.696 19.000 0.012 0.000 1.104 146 A HN 0.757 nan 8.150 nan 0.000 0.481 147 T N -2.829 111.747 114.554 0.038 0.000 3.113 147 T HA 0.424 4.774 4.350 -0.000 0.000 0.256 147 T C 1.334 176.057 174.700 0.039 0.000 1.131 147 T CA 0.991 63.117 62.100 0.042 0.000 1.074 147 T CB -0.277 68.623 68.868 0.053 0.000 0.944 147 T HN 2.049 nan 8.240 nan 0.000 0.516 148 G N 1.557 110.379 108.800 0.036 0.000 2.598 148 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.244 148 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.244 148 G C -0.088 174.835 174.900 0.038 0.000 1.302 148 G CA -0.021 45.102 45.100 0.038 0.000 0.903 148 G HN 1.524 nan 8.290 nan 0.000 0.575 149 S N -1.092 114.632 115.700 0.040 0.000 2.732 149 S HA 0.926 5.396 4.470 -0.000 0.000 0.293 149 S C -0.329 174.293 174.600 0.037 0.000 1.159 149 S CA 0.220 58.444 58.200 0.041 0.000 0.847 149 S CB 2.421 65.647 63.200 0.044 0.000 1.169 149 S HN 1.859 nan 8.310 nan 0.000 0.501 150 R N -0.966 119.558 120.500 0.040 0.000 2.739 150 R HA 0.676 5.016 4.340 -0.000 0.000 0.271 150 R C -3.378 172.952 176.300 0.050 0.000 1.010 150 R CA -2.031 54.091 56.100 0.036 0.000 0.897 150 R CB 1.144 31.470 30.300 0.043 0.000 1.236 150 R HN 0.452 nan 8.270 nan 0.000 0.466 151 P HA 0.120 nan 4.420 nan 0.000 0.272 151 P C -0.308 177.102 177.300 0.182 0.000 1.230 151 P CA -0.212 62.942 63.100 0.089 0.000 0.788 151 P CB 0.799 32.517 31.700 0.030 0.000 0.949 152 I N 1.397 122.079 120.570 0.187 0.000 2.337 152 I HA 0.147 4.317 4.170 -0.000 0.000 0.291 152 I C 1.185 177.403 176.117 0.168 0.000 1.046 152 I CA -0.176 61.217 61.300 0.155 0.000 1.324 152 I CB 0.146 38.196 38.000 0.083 0.000 1.409 152 I HN 0.314 nan 8.210 nan 0.000 0.494 153 E N 7.103 127.365 120.200 0.103 0.000 2.180 153 E HA 0.282 4.632 4.350 -0.000 0.000 0.283 153 E C -0.848 175.649 176.600 -0.173 0.000 1.061 153 E CA -0.482 55.762 56.400 -0.261 0.000 0.861 153 E CB 0.790 30.423 29.700 -0.112 0.000 1.056 153 E HN 0.499 nan 8.360 nan 0.000 0.407 154 L N 7.440 128.539 121.223 -0.207 0.000 2.326 154 L HA 0.338 4.678 4.340 -0.000 0.000 0.278 154 L C -1.833 175.027 176.870 -0.018 0.000 1.092 154 L CA -2.022 52.798 54.840 -0.034 0.000 0.810 154 L CB 0.857 42.960 42.059 0.073 0.000 1.153 154 L HN 0.445 nan 8.230 nan 0.000 0.439 155 P HA 0.025 nan 4.420 nan 0.000 0.272 155 P C -0.438 176.833 177.300 -0.047 0.000 1.223 155 P CA 0.004 63.086 63.100 -0.030 0.000 0.784 155 P CB 0.604 32.292 31.700 -0.019 0.000 0.923 156 N N -0.795 117.837 118.700 -0.113 0.000 2.800 156 N HA -0.209 4.531 4.740 -0.000 0.000 0.250 156 N C -0.635 174.575 175.510 -0.500 0.000 1.078 156 N CA 0.993 53.891 53.050 -0.252 0.000 0.804 156 N CB -1.566 36.773 38.487 -0.247 0.000 1.135 156 N HN 0.392 nan 8.380 nan 0.000 0.565 157 F N -0.237 119.644 119.950 -0.115 0.000 2.769 157 F HA 0.218 4.745 4.527 -0.000 0.000 0.341 157 F C -0.116 175.509 175.800 -0.291 0.000 1.279 157 F CA -0.677 57.229 58.000 -0.156 0.000 1.037 157 F CB 0.295 39.200 39.000 -0.158 0.000 1.333 157 F HN -0.226 nan 8.300 nan 0.000 0.505 158 K N 1.005 121.348 120.400 -0.095 0.000 2.453 158 K HA 0.089 4.409 4.320 -0.000 0.000 0.280 158 K C -0.285 176.275 176.600 -0.066 0.000 1.045 158 K CA 0.141 56.343 56.287 -0.141 0.000 1.059 158 K CB 0.142 32.611 32.500 -0.052 0.000 0.901 158 K HN -0.085 nan 8.250 nan 0.000 0.475 159 F N 1.871 121.873 119.950 0.087 0.000 2.623 159 F HA -0.042 4.485 4.527 -0.000 0.000 0.383 159 F C 1.333 177.171 175.800 0.064 0.000 1.077 159 F CA 0.541 58.586 58.000 0.075 0.000 1.268 159 F CB 0.314 39.346 39.000 0.053 0.000 1.053 159 F HN 0.496 nan 8.300 nan 0.000 0.571 160 S N 1.427 117.291 115.700 0.274 0.000 2.880 160 S HA 0.341 4.811 4.470 -0.000 0.000 0.308 160 S C 0.769 175.464 174.600 0.159 0.000 1.195 160 S CA -0.728 57.574 58.200 0.170 0.000 0.866 160 S CB 0.799 64.075 63.200 0.126 0.000 1.254 160 S HN 0.632 nan 8.310 nan 0.000 0.571 161 N N -0.226 118.550 118.700 0.127 0.000 2.443 161 N HA 0.039 4.779 4.740 -0.000 0.000 0.184 161 N C 1.196 176.839 175.510 0.222 0.000 1.037 161 N CA 0.649 53.782 53.050 0.138 0.000 0.896 161 N CB 0.015 38.563 38.487 0.102 0.000 0.959 161 N HN 0.320 nan 8.380 nan 0.000 0.442 162 R N -0.473 120.151 120.500 0.208 0.000 2.544 162 R HA 0.306 4.646 4.340 -0.000 0.000 0.303 162 R C -0.405 176.060 176.300 0.274 0.000 0.939 162 R CA -0.042 56.220 56.100 0.270 0.000 1.102 162 R CB 1.123 31.443 30.300 0.034 0.000 1.440 162 R HN 0.056 nan 8.270 nan 0.000 0.532 163 I N 2.887 123.606 120.570 0.248 0.000 2.388 163 I HA 0.254 4.424 4.170 -0.000 0.000 0.281 163 I C -0.313 176.024 176.117 0.365 0.000 1.046 163 I CA -0.415 61.057 61.300 0.286 0.000 1.187 163 I CB 0.919 39.087 38.000 0.280 0.000 1.351 163 I HN -0.128 nan 8.210 nan 0.000 0.472 164 L N 4.881 126.261 121.223 0.263 0.000 2.431 164 L HA 0.534 4.874 4.340 -0.000 0.000 0.260 164 L C -0.112 176.785 176.870 0.045 0.000 1.098 164 L CA -0.842 54.068 54.840 0.117 0.000 0.800 164 L CB 0.662 42.714 42.059 -0.012 0.000 1.210 164 L HN 0.504 nan 8.230 nan 0.000 0.465 165 D N -1.701 118.512 120.400 -0.311 0.000 2.525 165 D HA 0.217 4.857 4.640 -0.000 0.000 0.249 165 D C 0.689 176.862 176.300 -0.212 0.000 1.072 165 D CA -0.389 53.348 54.000 -0.437 0.000 1.067 165 D CB 1.044 41.252 40.800 -0.986 0.000 1.282 165 D HN 0.483 nan 8.370 nan 0.000 0.587 166 S N -0.570 115.035 115.700 -0.158 0.000 2.387 166 S HA -0.237 4.233 4.470 -0.000 0.000 0.230 166 S C 1.700 176.249 174.600 -0.086 0.000 1.035 166 S CA 1.886 60.028 58.200 -0.095 0.000 1.014 166 S CB -1.281 61.864 63.200 -0.091 0.000 0.836 166 S HN 0.624 nan 8.310 nan 0.000 0.466 167 T N 1.778 116.259 114.554 -0.123 0.000 2.821 167 T HA 0.061 4.411 4.350 -0.000 0.000 0.267 167 T C 2.042 176.686 174.700 -0.093 0.000 1.046 167 T CA 1.301 63.341 62.100 -0.100 0.000 1.139 167 T CB -0.977 67.822 68.868 -0.116 0.000 0.871 167 T HN 0.645 nan 8.240 nan 0.000 0.454 168 G N 1.003 109.726 108.800 -0.129 0.000 2.394 168 G HA2 0.043 4.003 3.960 -0.000 0.000 0.215 168 G HA3 0.043 4.003 3.960 -0.000 0.000 0.215 168 G C 1.816 176.648 174.900 -0.113 0.000 1.165 168 G CA 0.725 45.754 45.100 -0.119 0.000 0.784 168 G HN 0.565 nan 8.290 nan 0.000 0.535 169 A N 0.501 123.270 122.820 -0.086 0.000 1.930 169 A HA 0.161 4.481 4.320 -0.000 0.000 0.217 169 A C 2.366 180.028 177.584 0.130 0.000 1.175 169 A CA 0.977 52.991 52.037 -0.039 0.000 0.627 169 A CB -0.337 18.682 19.000 0.031 0.000 0.815 169 A HN 0.344 nan 8.150 nan 0.000 0.443 170 L N -0.351 120.920 121.223 0.081 0.000 2.201 170 L HA -0.106 4.234 4.340 -0.000 0.000 0.212 170 L C 0.901 177.810 176.870 0.064 0.000 1.105 170 L CA 0.768 55.660 54.840 0.085 0.000 0.775 170 L CB -0.282 41.783 42.059 0.010 0.000 0.913 170 L HN 0.310 nan 8.230 nan 0.000 0.440 171 N N -0.217 118.497 118.700 0.023 0.000 2.279 171 N HA 0.210 4.950 4.740 -0.000 0.000 0.226 171 N C -0.099 175.427 175.510 0.028 0.000 1.126 171 N CA 0.042 53.096 53.050 0.008 0.000 0.846 171 N CB 0.250 38.720 38.487 -0.028 0.000 1.050 171 N HN 0.188 nan 8.380 nan 0.000 0.502 172 L N 0.115 121.384 121.223 0.075 0.000 2.455 172 L HA 0.112 4.452 4.340 -0.000 0.000 0.272 172 L C 1.769 178.758 176.870 0.198 0.000 1.174 172 L CA -0.231 54.624 54.840 0.026 0.000 0.869 172 L CB 0.812 42.798 42.059 -0.121 0.000 1.130 172 L HN 0.202 nan 8.230 nan 0.000 0.474 173 G N 3.201 112.060 108.800 0.099 0.000 2.443 173 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.219 173 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.219 173 G C 0.357 175.384 174.900 0.212 0.000 1.131 173 G CA 0.399 45.587 45.100 0.147 0.000 0.775 173 G HN 0.772 nan 8.290 nan 0.000 0.547 174 E N -1.134 119.090 120.200 0.039 0.000 2.392 174 E HA 0.425 4.775 4.350 -0.000 0.000 0.279 174 E C -1.411 174.909 176.600 -0.467 0.000 0.964 174 E CA -1.045 55.255 56.400 -0.167 0.000 0.777 174 E CB 1.583 31.245 29.700 -0.063 0.000 1.249 174 E HN -0.154 nan 8.360 nan 0.000 0.449 175 V N 3.122 122.602 119.914 -0.723 0.000 2.434 175 V HA 0.104 4.224 4.120 -0.000 0.000 0.281 175 V C -1.581 174.365 176.094 -0.247 0.000 1.005 175 V CA -0.639 61.309 62.300 -0.588 0.000 1.089 175 V CB -0.528 30.984 31.823 -0.518 0.000 0.978 175 V HN 0.623 nan 8.190 nan 0.000 0.474 176 P HA 0.202 nan 4.420 nan 0.000 0.271 176 P C 0.245 177.526 177.300 -0.032 0.000 1.218 176 P CA -0.434 62.642 63.100 -0.040 0.000 0.780 176 P CB 1.303 33.021 31.700 0.030 0.000 0.901 177 K N 0.631 121.023 120.400 -0.013 0.000 2.103 177 K HA 0.018 4.338 4.320 -0.000 0.000 0.204 177 K C 0.980 177.584 176.600 0.007 0.000 1.052 177 K CA 1.051 57.336 56.287 -0.004 0.000 0.945 177 K CB -0.069 32.426 32.500 -0.009 0.000 0.722 177 K HN 0.622 nan 8.250 nan 0.000 0.443 178 S N -0.123 115.578 115.700 0.002 0.000 2.569 178 S HA 0.684 5.154 4.470 -0.000 0.000 0.280 178 S C -1.362 173.246 174.600 0.013 0.000 1.111 178 S CA -1.146 57.059 58.200 0.009 0.000 0.887 178 S CB 2.120 65.321 63.200 0.002 0.000 1.095 178 S HN 0.049 nan 8.310 nan 0.000 0.476 179 L N 1.265 122.498 121.223 0.016 0.000 2.588 179 L HA 0.664 5.004 4.340 -0.000 0.000 0.263 179 L C -1.890 174.988 176.870 0.014 0.000 0.935 179 L CA -0.336 54.514 54.840 0.016 0.000 0.891 179 L CB 1.960 43.999 42.059 -0.033 0.000 1.318 179 L HN 0.712 nan 8.230 nan 0.000 0.409 180 V N 5.070 124.994 119.914 0.017 0.000 2.435 180 V HA 0.630 4.750 4.120 -0.000 0.000 0.290 180 V C -0.471 175.607 176.094 -0.026 0.000 1.030 180 V CA -0.663 61.632 62.300 -0.007 0.000 0.881 180 V CB 1.783 33.609 31.823 0.005 0.000 0.983 180 V HN 0.504 nan 8.190 nan 0.000 0.445 181 V N 5.800 125.684 119.914 -0.049 0.000 2.378 181 V HA 0.441 4.561 4.120 -0.000 0.000 0.288 181 V C -0.209 175.825 176.094 -0.101 0.000 1.016 181 V CA -0.498 61.768 62.300 -0.057 0.000 0.840 181 V CB 1.686 33.493 31.823 -0.027 0.000 0.994 181 V HN 0.596 nan 8.190 nan 0.000 0.431 182 I N 4.536 125.023 120.570 -0.137 0.000 2.291 182 I HA 0.644 4.814 4.170 -0.000 0.000 0.290 182 I C 0.787 176.832 176.117 -0.121 0.000 1.050 182 I CA 0.281 61.474 61.300 -0.180 0.000 1.245 182 I CB 0.446 38.246 38.000 -0.333 0.000 1.405 182 I HN 0.897 nan 8.210 nan 0.000 0.478 183 G N 4.046 112.792 108.800 -0.089 0.000 3.435 183 G HA2 0.001 3.961 3.960 -0.000 0.000 0.683 183 G HA3 0.001 3.961 3.960 -0.000 0.000 0.683 183 G C 0.088 174.965 174.900 -0.039 0.000 1.189 183 G CA -0.546 44.520 45.100 -0.056 0.000 1.069 183 G HN 0.993 nan 8.290 nan 0.000 0.508 184 G N 0.894 109.681 108.800 -0.021 0.000 4.084 184 G HA2 0.665 4.625 3.960 -0.000 0.000 0.293 184 G HA3 0.665 4.625 3.960 -0.000 0.000 0.293 184 G C 0.879 175.793 174.900 0.024 0.000 1.303 184 G CA 0.864 45.961 45.100 -0.005 0.000 1.289 184 G HN 1.205 nan 8.290 nan 0.000 0.609 185 G N -0.215 108.598 108.800 0.022 0.000 2.510 185 G HA2 0.355 4.315 3.960 -0.000 0.000 0.280 185 G HA3 0.355 4.315 3.960 -0.000 0.000 0.280 185 G C 0.887 175.844 174.900 0.096 0.000 1.386 185 G CA -0.174 44.972 45.100 0.077 0.000 1.047 185 G HN 0.358 nan 8.290 nan 0.000 0.527 186 Y N -0.936 119.400 120.300 0.060 0.000 2.163 186 Y HA -0.002 4.548 4.550 -0.000 0.000 0.288 186 Y C 2.413 178.341 175.900 0.047 0.000 1.136 186 Y CA 1.407 59.537 58.100 0.050 0.000 1.147 186 Y CB -0.528 37.979 38.460 0.079 0.000 0.987 186 Y HN 0.199 nan 8.280 nan 0.000 0.509 187 I N 1.196 121.335 120.570 -0.717 0.000 2.264 187 I HA -0.231 3.939 4.170 -0.000 0.000 0.248 187 I C 2.721 178.735 176.117 -0.173 0.000 1.111 187 I CA 1.551 62.552 61.300 -0.499 0.000 1.382 187 I CB -0.953 36.706 38.000 -0.568 0.000 1.060 187 I HN 0.535 nan 8.210 nan 0.000 0.418 188 G N 1.345 110.070 108.800 -0.125 0.000 2.414 188 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.215 188 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.215 188 G C 1.568 176.465 174.900 -0.006 0.000 1.188 188 G CA 0.290 45.362 45.100 -0.048 0.000 0.783 188 G HN 0.144 nan 8.290 nan 0.000 0.537 189 I N 1.267 121.840 120.570 0.006 0.000 2.286 189 I HA -0.105 4.065 4.170 -0.000 0.000 0.248 189 I C 2.564 178.704 176.117 0.038 0.000 1.115 189 I CA 1.074 62.387 61.300 0.022 0.000 1.392 189 I CB -1.140 36.872 38.000 0.020 0.000 1.065 189 I HN 0.352 nan 8.210 nan 0.000 0.418 190 E N 0.768 121.000 120.200 0.053 0.000 2.007 190 E HA -0.183 4.167 4.350 -0.000 0.000 0.194 190 E C 2.398 179.034 176.600 0.060 0.000 0.999 190 E CA 1.040 57.485 56.400 0.075 0.000 0.811 190 E CB -0.200 29.569 29.700 0.115 0.000 0.762 190 E HN 0.386 nan 8.360 nan 0.000 0.450 191 L N 0.474 121.733 121.223 0.060 0.000 2.131 191 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 191 L C 2.495 179.477 176.870 0.186 0.000 1.092 191 L CA 1.042 55.952 54.840 0.116 0.000 0.759 191 L CB -0.624 41.511 42.059 0.125 0.000 0.903 191 L HN 0.265 nan 8.230 nan 0.000 0.435 192 G N -0.641 108.231 108.800 0.120 0.000 2.404 192 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.215 192 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.215 192 G C 1.567 176.531 174.900 0.107 0.000 1.174 192 G CA 1.134 46.306 45.100 0.121 0.000 0.780 192 G HN 0.274 nan 8.290 nan 0.000 0.537 193 T N 1.820 116.411 114.554 0.061 0.000 2.788 193 T HA 0.023 4.373 4.350 -0.000 0.000 0.268 193 T C 2.791 177.487 174.700 -0.006 0.000 1.044 193 T CA 1.452 63.571 62.100 0.032 0.000 1.139 193 T CB -0.367 68.519 68.868 0.029 0.000 0.867 193 T HN 0.372 nan 8.240 nan 0.000 0.454 194 A N 0.880 123.681 122.820 -0.031 0.000 1.851 194 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 194 A C 2.056 179.515 177.584 -0.209 0.000 1.195 194 A CA 1.562 53.493 52.037 -0.176 0.000 0.622 194 A CB -1.187 17.710 19.000 -0.171 0.000 0.831 194 A HN 0.533 nan 8.150 nan 0.000 0.444 195 Y N -0.101 120.280 120.300 0.135 0.000 2.352 195 Y HA -0.004 4.546 4.550 -0.000 0.000 0.292 195 Y C 2.817 178.781 175.900 0.107 0.000 1.136 195 Y CA 0.529 58.755 58.100 0.211 0.000 1.227 195 Y CB -0.507 38.031 38.460 0.131 0.000 0.991 195 Y HN 0.346 nan 8.280 nan 0.000 0.545 196 A N 0.239 123.153 122.820 0.158 0.000 1.930 196 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 196 A C 2.109 179.724 177.584 0.052 0.000 1.175 196 A CA 1.717 53.811 52.037 0.096 0.000 0.627 196 A CB -0.560 18.474 19.000 0.057 0.000 0.815 196 A HN 0.386 nan 8.150 nan 0.000 0.443 197 N N -0.486 118.178 118.700 -0.060 0.000 2.166 197 N HA -0.109 4.631 4.740 -0.000 0.000 0.186 197 N C 1.065 176.557 175.510 -0.030 0.000 1.019 197 N CA 1.235 54.218 53.050 -0.110 0.000 0.856 197 N CB -0.546 37.753 38.487 -0.313 0.000 0.993 197 N HN 0.476 nan 8.380 nan 0.000 0.426 198 F N -0.188 119.736 119.950 -0.043 0.000 2.699 198 F HA 0.171 4.698 4.527 -0.000 0.000 0.298 198 F C 1.922 177.636 175.800 -0.142 0.000 1.154 198 F CA 0.667 58.485 58.000 -0.303 0.000 1.457 198 F CB -0.339 38.510 39.000 -0.252 0.000 1.106 198 F HN 0.159 nan 8.300 nan 0.000 0.585 199 G N -0.709 108.201 108.800 0.183 0.000 2.192 199 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.193 199 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.193 199 G C 0.326 175.297 174.900 0.118 0.000 0.999 199 G CA -0.073 45.123 45.100 0.159 0.000 0.659 199 G HN 0.209 nan 8.290 nan 0.000 0.503 200 T N 3.000 117.635 114.554 0.136 0.000 2.870 200 T HA 0.437 4.787 4.350 -0.000 0.000 0.300 200 T C 0.277 175.028 174.700 0.086 0.000 0.989 200 T CA 0.029 62.192 62.100 0.104 0.000 1.139 200 T CB 1.262 70.213 68.868 0.138 0.000 0.920 200 T HN 0.082 nan 8.240 nan 0.000 0.537 201 K N 3.630 124.064 120.400 0.057 0.000 2.338 201 K HA 0.309 4.629 4.320 -0.000 0.000 0.290 201 K C -0.378 176.247 176.600 0.043 0.000 1.069 201 K CA -0.182 56.133 56.287 0.047 0.000 0.941 201 K CB 0.410 32.932 32.500 0.036 0.000 1.023 201 K HN 0.335 nan 8.250 nan 0.000 0.477 202 V N 2.597 122.538 119.914 0.045 0.000 2.612 202 V HA 0.416 4.536 4.120 -0.000 0.000 0.301 202 V C 0.212 176.315 176.094 0.015 0.000 1.046 202 V CA -0.643 61.678 62.300 0.036 0.000 0.946 202 V CB 1.954 33.809 31.823 0.054 0.000 1.003 202 V HN 0.672 nan 8.190 nan 0.000 0.459 203 T N 5.158 119.711 114.554 -0.003 0.000 2.965 203 T HA 0.568 4.918 4.350 -0.000 0.000 0.306 203 T C -0.510 174.152 174.700 -0.063 0.000 0.991 203 T CA -0.117 61.964 62.100 -0.032 0.000 1.001 203 T CB 0.611 69.457 68.868 -0.035 0.000 0.984 203 T HN 0.385 nan 8.240 nan 0.000 0.446 204 I N 4.001 124.533 120.570 -0.064 0.000 2.336 204 I HA 0.433 4.603 4.170 -0.000 0.000 0.292 204 I C -0.440 175.607 176.117 -0.116 0.000 0.991 204 I CA -0.835 60.420 61.300 -0.075 0.000 1.227 204 I CB 1.216 39.191 38.000 -0.041 0.000 1.366 204 I HN 0.361 nan 8.210 nan 0.000 0.466 205 L N 6.296 127.429 121.223 -0.151 0.000 2.294 205 L HA 0.503 4.843 4.340 -0.000 0.000 0.283 205 L C -0.123 176.681 176.870 -0.111 0.000 1.015 205 L CA -0.444 54.286 54.840 -0.183 0.000 0.831 205 L CB 1.239 43.116 42.059 -0.304 0.000 1.217 205 L HN 0.535 nan 8.230 nan 0.000 0.420 206 E N 1.437 121.595 120.200 -0.070 0.000 2.183 206 E HA 0.319 4.669 4.350 -0.000 0.000 0.271 206 E C 0.571 177.158 176.600 -0.021 0.000 0.919 206 E CA -0.235 56.142 56.400 -0.038 0.000 0.781 206 E CB 2.381 32.070 29.700 -0.019 0.000 1.140 206 E HN 0.671 nan 8.360 nan 0.000 0.402 207 G N 2.491 111.285 108.800 -0.009 0.000 2.464 207 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.217 207 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.217 207 G C 0.691 175.598 174.900 0.013 0.000 1.138 207 G CA 0.762 45.867 45.100 0.009 0.000 0.793 207 G HN 0.551 nan 8.290 nan 0.000 0.539 208 A N -0.274 122.551 122.820 0.009 0.000 2.280 208 A HA 0.577 4.897 4.320 -0.000 0.000 0.268 208 A C 1.924 179.515 177.584 0.012 0.000 1.111 208 A CA 0.405 52.449 52.037 0.011 0.000 0.814 208 A CB 0.235 19.241 19.000 0.010 0.000 1.093 208 A HN 0.431 nan 8.150 nan 0.000 0.498 209 G N -1.532 107.276 108.800 0.013 0.000 2.471 209 G HA2 0.228 4.188 3.960 -0.000 0.000 0.219 209 G HA3 0.228 4.188 3.960 -0.000 0.000 0.219 209 G C 0.450 175.358 174.900 0.014 0.000 1.125 209 G CA 1.543 46.651 45.100 0.014 0.000 0.775 209 G HN 0.785 nan 8.290 nan 0.000 0.548 210 E N -0.899 119.310 120.200 0.015 0.000 2.390 210 E HA 0.452 4.802 4.350 -0.000 0.000 0.277 210 E C 0.064 176.677 176.600 0.021 0.000 0.939 210 E CA -0.980 55.431 56.400 0.018 0.000 0.769 210 E CB 1.349 31.063 29.700 0.023 0.000 1.251 210 E HN 0.138 nan 8.360 nan 0.000 0.450 211 I N 0.090 120.673 120.570 0.022 0.000 3.211 211 I HA 0.340 4.510 4.170 -0.000 0.000 0.297 211 I C 0.283 176.430 176.117 0.050 0.000 1.095 211 I CA -0.810 60.505 61.300 0.026 0.000 1.239 211 I CB 0.299 38.307 38.000 0.014 0.000 1.455 211 I HN 0.690 nan 8.210 nan 0.000 0.630 212 L N 1.756 123.021 121.223 0.069 0.000 3.795 212 L HA -0.192 4.148 4.340 -0.000 0.000 0.489 212 L C 0.469 177.440 176.870 0.169 0.000 1.259 212 L CA 0.193 55.114 54.840 0.134 0.000 0.765 212 L CB -1.610 40.504 42.059 0.093 0.000 1.519 212 L HN 0.879 nan 8.230 nan 0.000 0.842 213 S N -0.011 115.753 115.700 0.107 0.000 2.525 213 S HA 0.462 4.932 4.470 -0.000 0.000 0.285 213 S C 1.152 175.775 174.600 0.038 0.000 1.283 213 S CA 0.979 59.210 58.200 0.052 0.000 1.072 213 S CB 1.156 64.372 63.200 0.025 0.000 0.867 213 S HN 0.835 nan 8.310 nan 0.000 0.492 214 G N 4.453 113.204 108.800 -0.080 0.000 3.033 214 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.196 214 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.196 214 G C -0.100 174.458 174.900 -0.570 0.000 1.078 214 G CA -0.516 44.417 45.100 -0.279 0.000 0.805 214 G HN 0.605 nan 8.290 nan 0.000 0.472 215 F N 2.521 122.362 119.950 -0.181 0.000 2.371 215 F HA 0.589 5.116 4.527 -0.000 0.000 0.329 215 F C 1.042 176.782 175.800 -0.101 0.000 1.107 215 F CA -0.561 57.386 58.000 -0.088 0.000 1.137 215 F CB 0.805 39.851 39.000 0.077 0.000 1.214 215 F HN 0.043 nan 8.300 nan 0.000 0.536 216 E N 1.237 121.579 120.200 0.236 0.000 2.442 216 E HA -0.049 4.301 4.350 -0.000 0.000 0.262 216 E C 0.643 177.355 176.600 0.186 0.000 1.004 216 E CA -0.066 56.447 56.400 0.189 0.000 0.928 216 E CB 0.638 30.535 29.700 0.329 0.000 0.937 216 E HN 0.461 nan 8.360 nan 0.000 0.446 217 K N 2.109 122.579 120.400 0.116 0.000 2.160 217 K HA -0.260 4.060 4.320 -0.000 0.000 0.206 217 K C 1.805 178.476 176.600 0.119 0.000 1.047 217 K CA 1.524 57.867 56.287 0.095 0.000 0.930 217 K CB -0.143 32.392 32.500 0.059 0.000 0.720 217 K HN 0.378 nan 8.250 nan 0.000 0.450 218 Q N 0.135 120.032 119.800 0.161 0.000 2.084 218 Q HA -0.033 4.307 4.340 -0.000 0.000 0.202 218 Q C 2.070 178.222 176.000 0.253 0.000 0.978 218 Q CA 1.662 57.583 55.803 0.196 0.000 0.844 218 Q CB -0.261 28.603 28.738 0.210 0.000 0.898 218 Q HN 0.325 nan 8.270 nan 0.000 0.426 219 M N -0.048 119.714 119.600 0.269 0.000 2.086 219 M HA -0.126 4.354 4.480 -0.000 0.000 0.261 219 M C 2.318 178.643 176.300 0.041 0.000 1.067 219 M CA 1.514 56.891 55.300 0.128 0.000 1.116 219 M CB -0.401 32.266 32.600 0.111 0.000 1.348 219 M HN 0.305 nan 8.290 nan 0.000 0.407 220 A N 0.489 123.349 122.820 0.066 0.000 1.972 220 A HA -0.045 4.275 4.320 -0.000 0.000 0.219 220 A C 2.381 179.980 177.584 0.025 0.000 1.169 220 A CA 1.845 53.900 52.037 0.029 0.000 0.635 220 A CB -0.880 18.151 19.000 0.052 0.000 0.810 220 A HN 0.498 nan 8.150 nan 0.000 0.446 221 A N 0.355 123.206 122.820 0.050 0.000 1.858 221 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 221 A C 2.101 179.702 177.584 0.027 0.000 1.190 221 A CA 1.605 53.667 52.037 0.042 0.000 0.617 221 A CB -0.693 18.342 19.000 0.058 0.000 0.827 221 A HN 0.509 nan 8.150 nan 0.000 0.443 222 I N -0.264 120.327 120.570 0.035 0.000 2.208 222 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 222 I C 2.310 178.414 176.117 -0.023 0.000 1.097 222 I CA 1.412 62.718 61.300 0.009 0.000 1.363 222 I CB -0.437 37.564 38.000 0.002 0.000 1.051 222 I HN 0.309 nan 8.210 nan 0.000 0.413 223 I N 0.668 121.215 120.570 -0.038 0.000 2.226 223 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 223 I C 2.562 178.662 176.117 -0.027 0.000 1.100 223 I CA 1.501 62.771 61.300 -0.049 0.000 1.374 223 I CB -0.380 37.577 38.000 -0.073 0.000 1.057 223 I HN 0.201 nan 8.210 nan 0.000 0.413 224 K N 0.665 121.057 120.400 -0.014 0.000 2.057 224 K HA -0.193 4.127 4.320 -0.000 0.000 0.206 224 K C 2.187 178.783 176.600 -0.008 0.000 1.050 224 K CA 0.987 57.270 56.287 -0.007 0.000 0.935 224 K CB -0.179 32.321 32.500 0.001 0.000 0.715 224 K HN 0.218 nan 8.250 nan 0.000 0.439 225 K N 1.536 121.932 120.400 -0.006 0.000 2.009 225 K HA -0.226 4.094 4.320 -0.000 0.000 0.210 225 K C 2.260 178.851 176.600 -0.016 0.000 1.049 225 K CA 1.617 57.900 56.287 -0.007 0.000 0.929 225 K CB -0.048 32.450 32.500 -0.003 0.000 0.714 225 K HN -0.062 nan 8.250 nan 0.000 0.440 226 R N 0.274 120.761 120.500 -0.022 0.000 2.090 226 R HA -0.075 4.265 4.340 -0.000 0.000 0.228 226 R C 2.339 178.621 176.300 -0.029 0.000 1.110 226 R CA 0.773 56.856 56.100 -0.030 0.000 0.973 226 R CB -0.278 30.002 30.300 -0.033 0.000 0.869 226 R HN 0.167 nan 8.270 nan 0.000 0.440 227 L N 1.197 122.407 121.223 -0.021 0.000 2.131 227 L HA -0.122 4.218 4.340 -0.000 0.000 0.210 227 L C 1.508 178.370 176.870 -0.012 0.000 1.092 227 L CA 1.824 56.656 54.840 -0.014 0.000 0.759 227 L CB -0.210 41.843 42.059 -0.009 0.000 0.903 227 L HN 0.117 nan 8.230 nan 0.000 0.435 228 K N -0.849 119.544 120.400 -0.012 0.000 2.155 228 K HA -0.131 4.189 4.320 -0.000 0.000 0.203 228 K C 1.963 178.554 176.600 -0.015 0.000 1.052 228 K CA 1.075 57.357 56.287 -0.009 0.000 0.948 228 K CB -0.074 32.423 32.500 -0.005 0.000 0.728 228 K HN 0.315 nan 8.250 nan 0.000 0.448 229 K N 1.232 121.615 120.400 -0.027 0.000 2.148 229 K HA -0.106 4.213 4.320 -0.000 0.000 0.204 229 K C 1.595 178.162 176.600 -0.055 0.000 1.050 229 K CA 1.125 57.386 56.287 -0.044 0.000 0.942 229 K CB 0.031 32.495 32.500 -0.059 0.000 0.724 229 K HN 0.125 nan 8.250 nan 0.000 0.446 230 K N -0.326 120.047 120.400 -0.046 0.000 2.486 230 K HA 0.037 4.357 4.320 -0.000 0.000 0.194 230 K C 1.025 177.623 176.600 -0.004 0.000 1.033 230 K CA 0.660 56.924 56.287 -0.039 0.000 1.004 230 K CB 0.348 32.832 32.500 -0.028 0.000 0.798 230 K HN 0.338 nan 8.250 nan 0.000 0.495 231 G N 0.903 109.701 108.800 -0.002 0.000 2.176 231 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.232 231 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.232 231 G C 0.190 175.099 174.900 0.016 0.000 0.986 231 G CA -0.177 44.930 45.100 0.012 0.000 0.643 231 G HN 0.106 nan 8.290 nan 0.000 0.522 232 V N 0.868 120.790 119.914 0.012 0.000 2.686 232 V HA 0.492 4.612 4.120 -0.000 0.000 0.295 232 V C 0.619 176.717 176.094 0.007 0.000 1.055 232 V CA 0.255 62.563 62.300 0.013 0.000 1.050 232 V CB 1.725 33.555 31.823 0.012 0.000 0.984 232 V HN 0.436 nan 8.190 nan 0.000 0.482 233 E N 3.043 123.246 120.200 0.005 0.000 2.171 233 E HA 0.594 4.944 4.350 -0.000 0.000 0.271 233 E C -1.616 174.977 176.600 -0.013 0.000 0.916 233 E CA -0.550 55.851 56.400 0.002 0.000 0.774 233 E CB 1.889 31.595 29.700 0.009 0.000 1.128 233 E HN 0.466 nan 8.360 nan 0.000 0.403 234 V N 4.892 124.799 119.914 -0.011 0.000 2.378 234 V HA 0.331 4.451 4.120 -0.000 0.000 0.288 234 V C -0.595 175.486 176.094 -0.021 0.000 1.016 234 V CA -0.840 61.447 62.300 -0.022 0.000 0.840 234 V CB 1.520 33.336 31.823 -0.012 0.000 0.994 234 V HN 0.489 nan 8.190 nan 0.000 0.431 235 V N 4.446 124.331 119.914 -0.049 0.000 2.350 235 V HA 0.499 4.619 4.120 -0.000 0.000 0.285 235 V C 0.437 176.510 176.094 -0.035 0.000 1.014 235 V CA -0.400 61.877 62.300 -0.037 0.000 0.831 235 V CB 1.700 33.473 31.823 -0.084 0.000 1.000 235 V HN 0.995 nan 8.190 nan 0.000 0.433 236 T N 1.215 115.767 114.554 -0.003 0.000 2.944 236 T HA 0.462 4.812 4.350 -0.000 0.000 0.284 236 T C 0.579 175.291 174.700 0.021 0.000 1.010 236 T CA -0.602 61.500 62.100 0.003 0.000 1.025 236 T CB 1.098 69.971 68.868 0.008 0.000 1.079 236 T HN 0.606 nan 8.240 nan 0.000 0.516 237 N N -1.132 117.580 118.700 0.021 0.000 2.828 237 N HA -0.156 4.584 4.740 -0.000 0.000 0.248 237 N C 0.126 175.668 175.510 0.054 0.000 1.044 237 N CA 0.930 54.001 53.050 0.034 0.000 0.851 237 N CB -1.680 36.828 38.487 0.036 0.000 1.136 237 N HN 1.112 nan 8.380 nan 0.000 0.572 238 A N 0.365 123.215 122.820 0.050 0.000 2.371 238 A HA 0.545 4.865 4.320 -0.000 0.000 0.257 238 A C 0.328 177.968 177.584 0.094 0.000 1.089 238 A CA -0.152 51.941 52.037 0.094 0.000 0.794 238 A CB 0.627 19.624 19.000 -0.004 0.000 1.029 238 A HN 0.241 nan 8.150 nan 0.000 0.488 239 L N 2.675 123.993 121.223 0.159 0.000 2.366 239 L HA 0.615 4.955 4.340 -0.000 0.000 0.266 239 L C 0.402 177.393 176.870 0.201 0.000 1.010 239 L CA -0.077 54.844 54.840 0.135 0.000 0.879 239 L CB 0.749 42.871 42.059 0.105 0.000 1.228 239 L HN 0.809 nan 8.230 nan 0.000 0.439 240 A N 4.272 127.210 122.820 0.196 0.000 2.488 240 A HA 0.306 4.626 4.320 -0.000 0.000 0.249 240 A C 0.848 178.618 177.584 0.309 0.000 1.083 240 A CA 0.105 52.324 52.037 0.303 0.000 0.768 240 A CB 0.231 19.387 19.000 0.261 0.000 1.017 240 A HN 0.868 nan 8.150 nan 0.000 0.496 241 K N 1.392 121.942 120.400 0.250 0.000 2.313 241 K HA 0.345 4.665 4.320 -0.000 0.000 0.197 241 K C 0.902 177.461 176.600 -0.068 0.000 1.061 241 K CA 0.804 57.150 56.287 0.098 0.000 0.980 241 K CB 0.463 32.991 32.500 0.048 0.000 0.888 241 K HN 1.001 nan 8.250 nan 0.000 0.502 242 G N 0.007 108.700 108.800 -0.178 0.000 2.333 242 G HA2 0.496 4.456 3.960 -0.000 0.000 0.288 242 G HA3 0.496 4.456 3.960 -0.000 0.000 0.288 242 G C -1.943 172.706 174.900 -0.418 0.000 1.286 242 G CA -0.331 44.386 45.100 -0.637 0.000 0.865 242 G HN 0.151 nan 8.290 nan 0.000 0.506 243 A N -0.639 121.953 122.820 -0.380 0.000 2.547 243 A HA 0.800 5.120 4.320 -0.000 0.000 0.297 243 A C -1.038 176.489 177.584 -0.095 0.000 1.056 243 A CA -0.226 51.736 52.037 -0.125 0.000 0.688 243 A CB 1.964 20.971 19.000 0.011 0.000 1.282 243 A HN 0.876 nan 8.150 nan 0.000 0.400 244 E N 1.525 121.699 120.200 -0.043 0.000 2.063 244 E HA 0.289 4.639 4.350 -0.000 0.000 0.265 244 E C -0.458 176.129 176.600 -0.021 0.000 0.919 244 E CA -0.205 56.172 56.400 -0.038 0.000 0.756 244 E CB 0.621 30.301 29.700 -0.033 0.000 1.120 244 E HN 0.615 nan 8.360 nan 0.000 0.414 245 E N 4.824 125.013 120.200 -0.020 0.000 2.166 245 E HA 0.089 4.439 4.350 -0.000 0.000 0.279 245 E C -0.475 176.112 176.600 -0.021 0.000 1.095 245 E CA -0.236 56.156 56.400 -0.013 0.000 0.888 245 E CB 0.486 30.187 29.700 0.001 0.000 1.041 245 E HN 0.422 nan 8.360 nan 0.000 0.414 246 R N 2.947 123.429 120.500 -0.031 0.000 2.543 246 R HA 0.116 4.456 4.340 -0.000 0.000 0.268 246 R C 0.438 176.714 176.300 -0.040 0.000 1.067 246 R CA -0.459 55.621 56.100 -0.033 0.000 1.142 246 R CB 0.645 30.922 30.300 -0.038 0.000 1.110 246 R HN 0.549 nan 8.270 nan 0.000 0.549 247 E N 1.892 122.071 120.200 -0.034 0.000 2.424 247 E HA -0.057 4.293 4.350 -0.000 0.000 0.237 247 E C -0.630 175.941 176.600 -0.048 0.000 1.381 247 E CA 0.126 56.506 56.400 -0.033 0.000 1.587 247 E CB -0.164 29.524 29.700 -0.020 0.000 1.398 247 E HN 0.604 nan 8.360 nan 0.000 0.439 248 D N -1.481 118.875 120.400 -0.073 0.000 2.902 248 D HA 0.093 4.733 4.640 -0.000 0.000 0.331 248 D C 0.340 176.561 176.300 -0.132 0.000 1.519 248 D CA 0.082 54.026 54.000 -0.092 0.000 0.925 248 D CB -0.226 40.538 40.800 -0.061 0.000 1.620 248 D HN 0.260 nan 8.370 nan 0.000 0.390 249 G N -0.537 108.173 108.800 -0.151 0.000 2.341 249 G HA2 0.416 4.376 3.960 -0.000 0.000 0.293 249 G HA3 0.416 4.376 3.960 -0.000 0.000 0.293 249 G C -2.133 172.700 174.900 -0.110 0.000 1.298 249 G CA -0.259 44.739 45.100 -0.168 0.000 0.868 249 G HN 0.290 nan 8.290 nan 0.000 0.540 250 V N -0.186 119.682 119.914 -0.077 0.000 2.760 250 V HA 0.711 4.831 4.120 -0.000 0.000 0.309 250 V C -0.266 175.833 176.094 0.009 0.000 1.077 250 V CA -0.691 61.597 62.300 -0.020 0.000 0.910 250 V CB 2.201 34.032 31.823 0.015 0.000 1.008 250 V HN 0.933 nan 8.190 nan 0.000 0.424 251 T N 3.677 118.243 114.554 0.019 0.000 2.770 251 T HA 0.516 4.866 4.350 -0.000 0.000 0.297 251 T C -0.272 174.468 174.700 0.067 0.000 0.997 251 T CA -0.291 61.829 62.100 0.034 0.000 0.949 251 T CB 1.118 69.993 68.868 0.012 0.000 0.941 251 T HN 0.377 nan 8.240 nan 0.000 0.457 252 V N 4.166 124.150 119.914 0.117 0.000 2.439 252 V HA 0.464 4.584 4.120 -0.000 0.000 0.282 252 V C 0.532 176.750 176.094 0.207 0.000 1.039 252 V CA -0.625 61.789 62.300 0.191 0.000 0.913 252 V CB 1.523 33.493 31.823 0.245 0.000 0.983 252 V HN 0.875 nan 8.190 nan 0.000 0.460 253 T N 5.267 119.929 114.554 0.181 0.000 2.823 253 T HA 0.744 5.094 4.350 -0.000 0.000 0.279 253 T C -0.950 173.878 174.700 0.214 0.000 0.998 253 T CA -0.301 61.864 62.100 0.108 0.000 0.994 253 T CB 1.036 69.913 68.868 0.015 0.000 0.960 253 T HN 0.735 nan 8.240 nan 0.000 0.448 254 Y N -0.365 119.968 120.300 0.056 0.000 2.581 254 Y HA 0.681 5.231 4.550 -0.000 0.000 0.337 254 Y C -1.016 174.906 175.900 0.038 0.000 1.108 254 Y CA -1.314 56.822 58.100 0.061 0.000 1.033 254 Y CB 1.407 39.908 38.460 0.069 0.000 1.318 254 Y HN 0.498 nan 8.280 nan 0.000 0.459 255 E N 2.228 122.486 120.200 0.098 0.000 2.129 255 E HA 0.701 5.051 4.350 -0.000 0.000 0.268 255 E C -1.520 175.163 176.600 0.138 0.000 0.900 255 E CA -0.891 55.518 56.400 0.016 0.000 0.755 255 E CB 1.372 31.084 29.700 0.021 0.000 1.117 255 E HN 0.944 nan 8.360 nan 0.000 0.410 256 A N 3.308 126.197 122.820 0.115 0.000 2.311 256 A HA 0.532 4.852 4.320 -0.000 0.000 0.306 256 A C 0.437 178.070 177.584 0.081 0.000 1.189 256 A CA 0.270 52.407 52.037 0.167 0.000 0.791 256 A CB 0.263 19.442 19.000 0.299 0.000 1.172 256 A HN 1.035 nan 8.150 nan 0.000 0.481 257 N N 1.035 119.774 118.700 0.065 0.000 2.714 257 N HA 0.237 4.976 4.740 -0.000 0.000 0.253 257 N C 1.996 177.521 175.510 0.025 0.000 1.024 257 N CA 1.621 54.695 53.050 0.041 0.000 0.726 257 N CB -1.704 36.807 38.487 0.040 0.000 0.908 257 N HN 2.777 nan 8.380 nan 0.000 0.542 258 G N -3.819 104.993 108.800 0.021 0.000 2.153 258 G HA2 0.393 4.353 3.960 -0.000 0.000 0.252 258 G HA3 0.393 4.353 3.960 -0.000 0.000 0.252 258 G C 0.056 174.952 174.900 -0.007 0.000 0.994 258 G CA 1.714 46.818 45.100 0.007 0.000 0.698 258 G HN 2.510 nan 8.290 nan 0.000 0.521 259 E N -0.160 120.031 120.200 -0.016 0.000 2.218 259 E HA 0.726 5.076 4.350 -0.000 0.000 0.263 259 E C -0.177 176.363 176.600 -0.101 0.000 0.879 259 E CA 0.088 56.461 56.400 -0.046 0.000 0.762 259 E CB 1.254 30.932 29.700 -0.037 0.000 1.166 259 E HN 0.509 nan 8.360 nan 0.000 0.415 260 T N 3.191 117.678 114.554 -0.112 0.000 2.794 260 T HA 0.464 4.814 4.350 -0.000 0.000 0.296 260 T C -0.150 174.404 174.700 -0.243 0.000 0.949 260 T CA 0.068 62.065 62.100 -0.172 0.000 1.101 260 T CB 0.231 69.034 68.868 -0.109 0.000 0.905 260 T HN 0.472 nan 8.240 nan 0.000 0.516 261 K N 1.321 121.448 120.400 -0.456 0.000 2.372 261 K HA 0.737 5.057 4.320 -0.000 0.000 0.251 261 K C -0.651 175.716 176.600 -0.388 0.000 1.055 261 K CA -0.852 55.169 56.287 -0.443 0.000 0.879 261 K CB 2.178 34.373 32.500 -0.507 0.000 1.384 261 K HN 0.394 nan 8.250 nan 0.000 0.465 262 T N 0.864 115.313 114.554 -0.174 0.000 2.933 262 T HA 0.567 4.917 4.350 -0.000 0.000 0.305 262 T C -1.308 173.441 174.700 0.082 0.000 1.092 262 T CA -0.581 61.506 62.100 -0.022 0.000 1.008 262 T CB 0.797 69.650 68.868 -0.025 0.000 1.102 262 T HN 0.322 nan 8.240 nan 0.000 0.469 263 I N 2.731 123.389 120.570 0.146 0.000 2.512 263 I HA 0.325 4.495 4.170 -0.000 0.000 0.287 263 I C -0.973 175.194 176.117 0.085 0.000 1.069 263 I CA -0.880 60.500 61.300 0.134 0.000 1.056 263 I CB 2.089 40.200 38.000 0.184 0.000 1.229 263 I HN 0.462 nan 8.210 nan 0.000 0.429 264 D N 5.457 125.887 120.400 0.049 0.000 2.256 264 D HA 0.725 5.365 4.640 -0.000 0.000 0.250 264 D C -0.292 176.017 176.300 0.015 0.000 1.093 264 D CA 0.218 54.232 54.000 0.023 0.000 0.882 264 D CB 1.953 42.757 40.800 0.007 0.000 1.185 264 D HN 0.642 nan 8.370 nan 0.000 0.437 265 A N 1.775 124.593 122.820 -0.003 0.000 2.602 265 A HA 0.438 4.758 4.320 -0.000 0.000 0.290 265 A C 0.065 177.601 177.584 -0.080 0.000 1.114 265 A CA -0.596 51.430 52.037 -0.018 0.000 0.683 265 A CB 1.167 20.174 19.000 0.011 0.000 1.281 265 A HN 0.321 nan 8.150 nan 0.000 0.416 266 D N -0.842 119.490 120.400 -0.112 0.000 2.137 266 D HA 0.166 4.806 4.640 -0.000 0.000 0.202 266 D C -0.356 175.605 176.300 -0.565 0.000 0.970 266 D CA 2.164 55.979 54.000 -0.309 0.000 0.837 266 D CB -0.042 40.621 40.800 -0.229 0.000 0.981 266 D HN 0.476 nan 8.370 nan 0.000 0.475 267 Y N -1.383 118.889 120.300 -0.046 0.000 2.644 267 Y HA 0.511 5.061 4.550 -0.000 0.000 0.338 267 Y C -0.412 175.478 175.900 -0.017 0.000 1.119 267 Y CA -1.153 56.926 58.100 -0.034 0.000 1.060 267 Y CB 1.877 40.290 38.460 -0.078 0.000 1.294 267 Y HN -0.442 nan 8.280 nan 0.000 0.472 268 V N 2.501 122.533 119.914 0.197 0.000 2.656 268 V HA 0.479 4.599 4.120 -0.000 0.000 0.307 268 V C -1.431 174.723 176.094 0.099 0.000 1.051 268 V CA -0.745 61.625 62.300 0.116 0.000 0.893 268 V CB 2.088 33.998 31.823 0.145 0.000 0.999 268 V HN 0.504 nan 8.190 nan 0.000 0.426 269 L N 6.092 127.333 121.223 0.030 0.000 2.342 269 L HA 0.653 4.993 4.340 -0.000 0.000 0.276 269 L C -0.600 176.266 176.870 -0.007 0.000 0.997 269 L CA -0.128 54.727 54.840 0.026 0.000 0.838 269 L CB 1.691 43.749 42.059 -0.001 0.000 1.224 269 L HN 0.428 nan 8.230 nan 0.000 0.416 270 V N 4.191 124.148 119.914 0.072 0.000 2.334 270 V HA 0.388 4.508 4.120 -0.000 0.000 0.267 270 V C 0.549 176.685 176.094 0.070 0.000 1.040 270 V CA 0.021 62.331 62.300 0.016 0.000 0.866 270 V CB 0.648 32.483 31.823 0.019 0.000 1.019 270 V HN 0.863 nan 8.190 nan 0.000 0.468 271 T N 0.537 115.084 114.554 -0.012 0.000 3.444 271 T HA 0.228 4.578 4.350 -0.000 0.000 0.265 271 T C 0.526 175.210 174.700 -0.028 0.000 1.537 271 T CA -0.103 61.986 62.100 -0.019 0.000 1.530 271 T CB 0.674 69.510 68.868 -0.054 0.000 0.958 271 T HN 0.523 nan 8.240 nan 0.000 0.684 272 V N -1.567 118.342 119.914 -0.009 0.000 3.633 272 V HA 0.746 4.866 4.120 -0.000 0.000 0.283 272 V C 0.922 177.022 176.094 0.010 0.000 1.305 272 V CA 0.433 62.726 62.300 -0.012 0.000 1.153 272 V CB -0.939 30.871 31.823 -0.023 0.000 0.950 272 V HN 1.098 nan 8.190 nan 0.000 0.432 273 G N 0.219 109.029 108.800 0.017 0.000 2.357 273 G HA2 0.296 4.256 3.960 -0.000 0.000 0.289 273 G HA3 0.296 4.256 3.960 -0.000 0.000 0.289 273 G C -1.222 173.702 174.900 0.040 0.000 1.302 273 G CA -0.903 44.214 45.100 0.028 0.000 0.936 273 G HN 0.427 nan 8.290 nan 0.000 0.513 274 R N -0.192 120.335 120.500 0.045 0.000 2.604 274 R HA 0.567 4.907 4.340 -0.000 0.000 0.281 274 R C -0.065 176.265 176.300 0.050 0.000 1.020 274 R CA -0.990 55.139 56.100 0.050 0.000 0.899 274 R CB 2.410 32.737 30.300 0.045 0.000 1.205 274 R HN 0.830 nan 8.270 nan 0.000 0.450 275 R N 1.476 122.008 120.500 0.053 0.000 2.532 275 R HA 0.550 4.890 4.340 -0.000 0.000 0.295 275 R C -2.787 173.540 176.300 0.044 0.000 0.968 275 R CA -2.218 53.910 56.100 0.047 0.000 0.916 275 R CB 1.304 31.634 30.300 0.051 0.000 1.124 275 R HN 0.166 nan 8.270 nan 0.000 0.463 276 P HA 0.048 nan 4.420 nan 0.000 0.271 276 P C -0.866 176.456 177.300 0.036 0.000 1.218 276 P CA -0.344 62.777 63.100 0.034 0.000 0.780 276 P CB 0.467 32.182 31.700 0.025 0.000 0.901 277 N N 1.492 120.214 118.700 0.037 0.000 3.245 277 N HA 0.061 4.801 4.740 -0.000 0.000 0.296 277 N C 0.513 176.046 175.510 0.038 0.000 1.254 277 N CA 0.237 53.313 53.050 0.043 0.000 1.190 277 N CB -0.388 38.127 38.487 0.047 0.000 1.460 277 N HN 0.438 nan 8.380 nan 0.000 0.538 278 T N -3.975 110.596 114.554 0.029 0.000 3.040 278 T HA 0.074 4.424 4.350 -0.000 0.000 0.266 278 T C 0.204 174.913 174.700 0.015 0.000 1.005 278 T CA -0.509 61.596 62.100 0.009 0.000 0.906 278 T CB 0.035 68.898 68.868 -0.008 0.000 1.082 278 T HN 0.191 nan 8.240 nan 0.000 0.531 279 D N 1.147 121.571 120.400 0.040 0.000 2.283 279 D HA 0.397 5.037 4.640 -0.000 0.000 0.248 279 D C 0.186 176.542 176.300 0.094 0.000 1.072 279 D CA -0.647 53.387 54.000 0.056 0.000 0.929 279 D CB 0.418 41.253 40.800 0.058 0.000 1.182 279 D HN 0.071 nan 8.370 nan 0.000 0.433 280 E N -0.155 120.120 120.200 0.125 0.000 2.160 280 E HA -0.223 4.127 4.350 -0.000 0.000 0.180 280 E C -0.972 175.808 176.600 0.301 0.000 1.452 280 E CA 0.445 56.989 56.400 0.241 0.000 0.683 280 E CB -1.174 28.651 29.700 0.209 0.000 1.072 280 E HN 0.690 nan 8.360 nan 0.000 0.332 281 L N -0.267 121.003 121.223 0.077 0.000 3.327 281 L HA 0.325 4.665 4.340 -0.000 0.000 0.299 281 L C 1.604 178.103 176.870 -0.619 0.000 1.201 281 L CA 0.501 55.273 54.840 -0.114 0.000 1.059 281 L CB 0.419 42.492 42.059 0.023 0.000 1.488 281 L HN 0.617 nan 8.230 nan 0.000 0.609 282 G N 0.172 108.659 108.800 -0.521 0.000 2.195 282 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.246 282 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.246 282 G C 0.891 175.691 174.900 -0.165 0.000 0.984 282 G CA 0.477 45.334 45.100 -0.405 0.000 0.633 282 G HN 0.224 nan 8.290 nan 0.000 0.525 283 L N 0.206 121.316 121.223 -0.189 0.000 2.129 283 L HA -0.106 4.234 4.340 -0.000 0.000 0.212 283 L C 2.794 179.600 176.870 -0.106 0.000 1.087 283 L CA 2.228 56.946 54.840 -0.203 0.000 0.757 283 L CB -0.490 41.449 42.059 -0.201 0.000 0.896 283 L HN 0.387 nan 8.230 nan 0.000 0.434 284 E N -0.095 120.072 120.200 -0.056 0.000 2.051 284 E HA -0.244 4.106 4.350 -0.000 0.000 0.192 284 E C 2.178 178.774 176.600 -0.007 0.000 0.991 284 E CA 1.118 57.507 56.400 -0.018 0.000 0.799 284 E CB -0.219 29.489 29.700 0.013 0.000 0.748 284 E HN 0.382 nan 8.360 nan 0.000 0.449 285 Q N 0.460 120.265 119.800 0.009 0.000 2.016 285 Q HA -0.046 4.294 4.340 -0.000 0.000 0.200 285 Q C 2.288 178.300 176.000 0.020 0.000 0.978 285 Q CA 1.347 57.169 55.803 0.031 0.000 0.833 285 Q CB -0.520 28.260 28.738 0.070 0.000 0.895 285 Q HN 0.603 nan 8.270 nan 0.000 0.427 286 I N -2.989 117.584 120.570 0.006 0.000 3.241 286 I HA 0.194 4.364 4.170 -0.000 0.000 0.280 286 I C 0.598 176.707 176.117 -0.012 0.000 1.320 286 I CA 0.705 62.011 61.300 0.010 0.000 1.413 286 I CB -0.886 37.126 38.000 0.019 0.000 1.060 286 I HN 0.225 nan 8.210 nan 0.000 0.500 287 G N 2.765 111.552 108.800 -0.023 0.000 2.401 287 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.283 287 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.283 287 G C -0.329 174.543 174.900 -0.046 0.000 1.117 287 G CA -0.308 44.777 45.100 -0.026 0.000 1.051 287 G HN 0.339 nan 8.290 nan 0.000 0.510 288 I N 0.803 121.333 120.570 -0.067 0.000 2.330 288 I HA 0.263 4.433 4.170 -0.000 0.000 0.286 288 I C 0.808 176.888 176.117 -0.062 0.000 1.025 288 I CA -0.972 60.278 61.300 -0.084 0.000 1.197 288 I CB 1.421 39.341 38.000 -0.133 0.000 1.358 288 I HN 0.237 nan 8.210 nan 0.000 0.467 289 K N 7.966 128.335 120.400 -0.051 0.000 2.363 289 K HA 0.283 4.603 4.320 -0.000 0.000 0.289 289 K C -0.469 176.107 176.600 -0.039 0.000 1.063 289 K CA -0.116 56.148 56.287 -0.039 0.000 0.967 289 K CB 0.489 32.969 32.500 -0.034 0.000 0.987 289 K HN 0.544 nan 8.250 nan 0.000 0.473 290 M N 2.576 122.157 119.600 -0.032 0.000 2.409 290 M HA 0.139 4.619 4.480 -0.000 0.000 0.329 290 M C 0.754 177.043 176.300 -0.018 0.000 1.180 290 M CA -0.725 54.559 55.300 -0.027 0.000 1.053 290 M CB 1.655 34.241 32.600 -0.023 0.000 1.586 290 M HN 0.650 nan 8.290 nan 0.000 0.461 291 T N -1.858 112.687 114.554 -0.015 0.000 2.788 291 T HA 0.226 4.576 4.350 -0.000 0.000 0.280 291 T C 0.775 175.473 174.700 -0.004 0.000 0.984 291 T CA -0.646 61.448 62.100 -0.010 0.000 0.972 291 T CB 0.385 69.248 68.868 -0.008 0.000 1.039 291 T HN 0.652 nan 8.240 nan 0.000 0.530 292 N N 0.947 119.646 118.700 -0.002 0.000 2.132 292 N HA -0.152 4.588 4.740 -0.000 0.000 0.191 292 N C 1.651 177.164 175.510 0.005 0.000 1.015 292 N CA 1.371 54.422 53.050 0.002 0.000 0.864 292 N CB -0.421 38.068 38.487 0.002 0.000 1.006 292 N HN 0.681 nan 8.380 nan 0.000 0.430 293 R N -0.180 120.323 120.500 0.006 0.000 2.568 293 R HA 0.313 4.653 4.340 -0.000 0.000 0.288 293 R C 0.666 176.974 176.300 0.012 0.000 1.077 293 R CA 0.577 56.684 56.100 0.011 0.000 1.102 293 R CB -0.465 29.843 30.300 0.013 0.000 1.278 293 R HN 0.195 nan 8.270 nan 0.000 0.560 294 G N 1.140 109.945 108.800 0.008 0.000 2.234 294 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.260 294 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.260 294 G C 0.233 175.135 174.900 0.002 0.000 0.987 294 G CA 0.311 45.415 45.100 0.007 0.000 0.625 294 G HN 0.294 nan 8.290 nan 0.000 0.532 295 L N 0.599 121.823 121.223 0.002 0.000 2.476 295 L HA 0.437 4.776 4.340 -0.000 0.000 0.264 295 L C 1.091 177.953 176.870 -0.013 0.000 1.224 295 L CA -0.281 54.559 54.840 -0.001 0.000 0.821 295 L CB 0.488 42.550 42.059 0.004 0.000 1.101 295 L HN 0.083 nan 8.230 nan 0.000 0.488 296 I N 1.319 121.877 120.570 -0.020 0.000 2.321 296 I HA 0.149 4.319 4.170 -0.000 0.000 0.291 296 I C 0.291 176.386 176.117 -0.037 0.000 0.998 296 I CA -0.550 60.728 61.300 -0.037 0.000 1.227 296 I CB 1.335 39.304 38.000 -0.052 0.000 1.368 296 I HN 0.524 nan 8.210 nan 0.000 0.466 297 E N 6.393 126.568 120.200 -0.042 0.000 2.360 297 E HA 0.288 4.638 4.350 -0.000 0.000 0.269 297 E C -0.869 175.693 176.600 -0.065 0.000 1.022 297 E CA 0.010 56.384 56.400 -0.044 0.000 0.887 297 E CB 1.361 31.036 29.700 -0.041 0.000 0.990 297 E HN 0.425 nan 8.360 nan 0.000 0.426 298 V N 0.666 120.540 119.914 -0.066 0.000 3.130 298 V HA 0.520 4.640 4.120 -0.000 0.000 0.310 298 V C -0.125 175.914 176.094 -0.093 0.000 1.158 298 V CA -1.097 61.142 62.300 -0.101 0.000 1.029 298 V CB 1.905 33.671 31.823 -0.094 0.000 1.057 298 V HN 0.627 nan 8.190 nan 0.000 0.436 299 D N 0.360 120.683 120.400 -0.129 0.000 2.478 299 D HA 0.140 4.780 4.640 -0.000 0.000 0.274 299 D C 0.884 177.141 176.300 -0.072 0.000 1.234 299 D CA -0.309 53.632 54.000 -0.098 0.000 1.069 299 D CB 0.648 41.382 40.800 -0.111 0.000 1.113 299 D HN 0.725 nan 8.370 nan 0.000 0.571 300 Q N -1.436 118.335 119.800 -0.049 0.000 2.561 300 Q HA -0.127 4.213 4.340 -0.000 0.000 0.217 300 Q C 0.737 176.737 176.000 -0.000 0.000 0.980 300 Q CA 0.977 56.766 55.803 -0.022 0.000 0.927 300 Q CB 0.029 28.756 28.738 -0.019 0.000 0.980 300 Q HN 0.433 nan 8.270 nan 0.000 0.525 301 Q N -2.017 117.766 119.800 -0.028 0.000 2.159 301 Q HA 0.148 4.488 4.340 -0.000 0.000 0.217 301 Q C 0.126 176.122 176.000 -0.007 0.000 0.818 301 Q CA -0.179 55.639 55.803 0.025 0.000 1.008 301 Q CB 0.905 29.678 28.738 0.058 0.000 1.148 301 Q HN 0.381 nan 8.270 nan 0.000 0.491 302 C N 1.765 121.019 119.300 -0.077 0.000 4.397 302 C HA -0.176 4.284 4.460 -0.000 0.000 0.291 302 C C 0.653 175.414 174.990 -0.381 0.000 1.408 302 C CA 0.570 59.535 59.018 -0.088 0.000 1.971 302 C CB -2.348 25.449 27.740 0.095 0.000 1.258 302 C HN 0.501 nan 8.230 nan 0.000 0.795 303 R N 1.094 121.183 120.500 -0.684 0.000 2.297 303 R HA 0.474 4.814 4.340 -0.000 0.000 0.308 303 R C 0.991 177.042 176.300 -0.416 0.000 1.029 303 R CA 0.636 56.151 56.100 -0.974 0.000 0.929 303 R CB 0.989 30.692 30.300 -0.994 0.000 1.046 303 R HN 0.614 nan 8.270 nan 0.000 0.461 304 T N 0.615 114.993 114.554 -0.293 0.000 2.753 304 T HA 0.068 4.418 4.350 -0.000 0.000 0.309 304 T C 1.153 175.773 174.700 -0.133 0.000 1.043 304 T CA -0.381 61.620 62.100 -0.164 0.000 0.964 304 T CB 0.779 69.573 68.868 -0.124 0.000 1.206 304 T HN 0.522 nan 8.240 nan 0.000 0.528 305 S N -0.602 115.042 115.700 -0.093 0.000 2.507 305 S HA 0.099 4.569 4.470 -0.000 0.000 0.235 305 S C 0.510 175.080 174.600 -0.049 0.000 0.988 305 S CA 0.044 58.203 58.200 -0.068 0.000 0.944 305 S CB -0.307 62.861 63.200 -0.054 0.000 0.762 305 S HN 0.540 nan 8.310 nan 0.000 0.526 306 V N 2.650 122.537 119.914 -0.046 0.000 2.304 306 V HA 0.218 4.338 4.120 -0.000 0.000 0.278 306 V C -1.731 174.371 176.094 0.013 0.000 1.018 306 V CA -1.805 60.493 62.300 -0.003 0.000 0.814 306 V CB 1.296 33.128 31.823 0.015 0.000 1.021 306 V HN 0.042 nan 8.190 nan 0.000 0.440 307 P HA -0.258 nan 4.420 nan 0.000 0.221 307 P C 1.266 178.669 177.300 0.171 0.000 1.160 307 P CA 1.890 65.016 63.100 0.044 0.000 0.933 307 P CB -0.003 31.731 31.700 0.057 0.000 0.793 308 N N -0.510 118.313 118.700 0.204 0.000 2.567 308 N HA -0.052 4.688 4.740 -0.000 0.000 0.195 308 N C 0.002 175.720 175.510 0.346 0.000 1.242 308 N CA 0.633 53.857 53.050 0.290 0.000 0.884 308 N CB -0.449 38.193 38.487 0.259 0.000 1.007 308 N HN 0.253 nan 8.380 nan 0.000 0.450 309 I N 0.842 121.598 120.570 0.311 0.000 2.478 309 I HA 0.334 4.503 4.170 -0.000 0.000 0.287 309 I C -0.930 175.349 176.117 0.270 0.000 1.042 309 I CA -0.798 60.652 61.300 0.250 0.000 1.067 309 I CB 1.030 39.078 38.000 0.081 0.000 1.233 309 I HN -0.259 nan 8.210 nan 0.000 0.431 310 F N 3.998 123.921 119.950 -0.045 0.000 2.557 310 F HA 0.852 5.379 4.527 -0.000 0.000 0.336 310 F C 0.396 176.160 175.800 -0.059 0.000 1.058 310 F CA -0.999 56.974 58.000 -0.045 0.000 0.988 310 F CB 1.828 40.806 39.000 -0.037 0.000 1.275 310 F HN 0.381 nan 8.300 nan 0.000 0.488 311 A N 1.710 124.601 122.820 0.118 0.000 2.486 311 A HA 0.877 5.197 4.320 -0.000 0.000 0.300 311 A C -1.153 176.468 177.584 0.062 0.000 1.048 311 A CA -0.535 51.531 52.037 0.048 0.000 0.696 311 A CB 1.374 20.368 19.000 -0.011 0.000 1.278 311 A HN 0.746 nan 8.150 nan 0.000 0.405 312 I N -1.304 119.296 120.570 0.050 0.000 3.191 312 I HA 0.926 5.096 4.170 -0.000 0.000 0.313 312 I C 0.617 176.760 176.117 0.043 0.000 1.193 312 I CA -0.386 60.946 61.300 0.053 0.000 0.968 312 I CB 1.747 39.774 38.000 0.045 0.000 1.262 312 I HN 1.909 nan 8.210 nan 0.000 0.456 313 G N 2.259 111.091 108.800 0.052 0.000 2.527 313 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.268 313 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.268 313 G C 0.137 175.066 174.900 0.047 0.000 1.175 313 G CA 0.839 45.967 45.100 0.047 0.000 0.962 313 G HN 0.841 nan 8.290 nan 0.000 0.560 314 D N 0.791 121.217 120.400 0.043 0.000 2.263 314 D HA -0.045 4.595 4.640 -0.000 0.000 0.208 314 D C 2.429 178.752 176.300 0.038 0.000 0.971 314 D CA 1.505 55.531 54.000 0.044 0.000 0.867 314 D CB -0.221 40.607 40.800 0.048 0.000 0.929 314 D HN 0.692 nan 8.370 nan 0.000 0.492 315 I N -2.718 117.870 120.570 0.031 0.000 3.578 315 I HA 0.071 4.241 4.170 -0.000 0.000 0.295 315 I C 0.597 176.723 176.117 0.016 0.000 1.280 315 I CA -0.026 61.286 61.300 0.021 0.000 1.347 315 I CB 0.098 38.106 38.000 0.012 0.000 1.051 315 I HN -0.295 nan 8.210 nan 0.000 0.460 316 V N 1.978 121.907 119.914 0.025 0.000 2.713 316 V HA 0.437 4.557 4.120 -0.000 0.000 0.307 316 V C -2.063 174.049 176.094 0.031 0.000 1.052 316 V CA -1.768 60.546 62.300 0.024 0.000 0.967 316 V CB 1.707 33.551 31.823 0.034 0.000 1.019 316 V HN 0.058 nan 8.190 nan 0.000 0.459 317 P HA 0.428 nan 4.420 nan 0.000 0.267 317 P C 0.074 177.399 177.300 0.042 0.000 1.200 317 P CA 1.069 64.183 63.100 0.025 0.000 0.772 317 P CB 0.386 32.093 31.700 0.012 0.000 0.855 318 G N 2.082 110.904 108.800 0.038 0.000 2.384 318 G HA2 0.027 3.987 3.960 -0.000 0.000 0.668 318 G HA3 0.027 3.987 3.960 -0.000 0.000 0.668 318 G C -3.051 171.871 174.900 0.036 0.000 1.280 318 G CA -0.948 44.181 45.100 0.049 0.000 0.992 318 G HN 0.510 nan 8.290 nan 0.000 0.512 319 P HA 0.490 nan 4.420 nan 0.000 0.271 319 P C 0.140 177.449 177.300 0.015 0.000 1.233 319 P CA 0.621 63.723 63.100 0.004 0.000 0.764 319 P CB 1.134 32.815 31.700 -0.032 0.000 0.825 320 A N 5.566 128.407 122.820 0.036 0.000 3.030 320 A HA 0.305 4.625 4.320 -0.000 0.000 0.273 320 A C 0.267 177.878 177.584 0.045 0.000 1.841 320 A CA -0.090 51.979 52.037 0.055 0.000 1.479 320 A CB -1.181 17.870 19.000 0.086 0.000 1.048 320 A HN 0.546 nan 8.150 nan 0.000 0.612 321 L N 0.169 121.400 121.223 0.013 0.000 2.341 321 L HA 0.534 4.874 4.340 -0.000 0.000 0.267 321 L C 1.556 178.434 176.870 0.012 0.000 1.009 321 L CA -0.677 54.157 54.840 -0.010 0.000 0.819 321 L CB 1.788 43.809 42.059 -0.063 0.000 1.323 321 L HN 0.474 nan 8.230 nan 0.000 0.425 322 A N 0.447 123.270 122.820 0.004 0.000 1.892 322 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 322 A C 1.966 179.607 177.584 0.095 0.000 1.188 322 A CA 1.828 53.883 52.037 0.029 0.000 0.631 322 A CB -0.989 18.011 19.000 0.000 0.000 0.822 322 A HN 0.921 nan 8.150 nan 0.000 0.447 323 H N -1.171 117.876 119.070 -0.040 0.000 2.387 323 H HA -0.106 4.450 4.556 -0.000 0.000 0.299 323 H C 2.240 177.541 175.328 -0.046 0.000 1.090 323 H CA 1.277 57.294 56.048 -0.053 0.000 1.332 323 H CB 0.090 29.800 29.762 -0.087 0.000 1.386 323 H HN 0.494 nan 8.280 nan 0.000 0.516 324 K N 0.906 121.335 120.400 0.049 0.000 2.063 324 K HA -0.159 4.161 4.320 -0.000 0.000 0.208 324 K C 2.341 179.007 176.600 0.109 0.000 1.048 324 K CA 0.986 57.282 56.287 0.014 0.000 0.928 324 K CB -0.078 32.420 32.500 -0.003 0.000 0.713 324 K HN 0.201 nan 8.250 nan 0.000 0.442 325 A N 1.237 124.101 122.820 0.073 0.000 1.841 325 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 325 A C 2.197 179.791 177.584 0.017 0.000 1.199 325 A CA 2.592 54.657 52.037 0.046 0.000 0.621 325 A CB -1.091 17.924 19.000 0.025 0.000 0.835 325 A HN 0.578 nan 8.150 nan 0.000 0.445 326 S N -1.483 114.216 115.700 -0.003 0.000 2.383 326 S HA -0.263 4.207 4.470 -0.000 0.000 0.229 326 S C 1.925 176.494 174.600 -0.051 0.000 1.030 326 S CA 1.633 59.787 58.200 -0.077 0.000 1.002 326 S CB -0.908 62.240 63.200 -0.086 0.000 0.829 326 S HN 0.650 nan 8.310 nan 0.000 0.467 327 Y N 2.662 122.903 120.300 -0.099 0.000 2.070 327 Y HA -0.121 4.429 4.550 -0.000 0.000 0.279 327 Y C 2.358 178.244 175.900 -0.023 0.000 1.134 327 Y CA 2.112 60.164 58.100 -0.080 0.000 1.113 327 Y CB -0.671 37.734 38.460 -0.092 0.000 0.981 327 Y HN 0.300 nan 8.280 nan 0.000 0.487 328 E N -0.256 119.991 120.200 0.077 0.000 2.209 328 E HA -0.163 4.187 4.350 -0.000 0.000 0.196 328 E C 2.316 178.872 176.600 -0.074 0.000 0.993 328 E CA 0.700 57.106 56.400 0.010 0.000 0.819 328 E CB -0.461 29.328 29.700 0.149 0.000 0.745 328 E HN 0.707 nan 8.360 nan 0.000 0.477 329 G N 2.221 110.970 108.800 -0.084 0.000 2.480 329 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.216 329 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.216 329 G C 1.497 176.304 174.900 -0.154 0.000 1.200 329 G CA 0.611 45.647 45.100 -0.107 0.000 0.782 329 G HN 0.034 nan 8.290 nan 0.000 0.554 330 K N 0.367 120.644 120.400 -0.206 0.000 2.001 330 K HA -0.090 4.230 4.320 -0.000 0.000 0.214 330 K C 2.628 179.082 176.600 -0.244 0.000 1.050 330 K CA 1.142 57.290 56.287 -0.231 0.000 0.934 330 K CB -1.321 31.022 32.500 -0.262 0.000 0.718 330 K HN 0.225 nan 8.250 nan 0.000 0.443 331 V N 1.888 121.616 119.914 -0.310 0.000 2.250 331 V HA -0.349 3.771 4.120 -0.000 0.000 0.253 331 V C 2.582 178.619 176.094 -0.094 0.000 1.065 331 V CA 2.298 64.463 62.300 -0.226 0.000 1.039 331 V CB -0.968 30.705 31.823 -0.249 0.000 0.647 331 V HN 0.429 nan 8.190 nan 0.000 0.446 332 A N -0.191 122.598 122.820 -0.052 0.000 1.859 332 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 332 A C 2.441 179.857 177.584 -0.280 0.000 1.198 332 A CA 2.744 54.761 52.037 -0.033 0.000 0.629 332 A CB -1.103 17.900 19.000 0.005 0.000 0.830 332 A HN 0.690 nan 8.150 nan 0.000 0.446 333 A N -0.679 121.997 122.820 -0.239 0.000 1.978 333 A HA -0.173 4.147 4.320 -0.000 0.000 0.220 333 A C 1.936 179.403 177.584 -0.195 0.000 1.170 333 A CA 1.757 53.653 52.037 -0.235 0.000 0.636 333 A CB -0.464 18.429 19.000 -0.178 0.000 0.810 333 A HN 0.579 nan 8.150 nan 0.000 0.448 334 E N -0.002 120.088 120.200 -0.184 0.000 2.017 334 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 334 E C 2.409 178.984 176.600 -0.042 0.000 0.997 334 E CA 1.308 57.608 56.400 -0.166 0.000 0.804 334 E CB -0.754 28.810 29.700 -0.227 0.000 0.757 334 E HN 0.569 nan 8.360 nan 0.000 0.448 335 A N 1.645 124.458 122.820 -0.010 0.000 1.986 335 A HA -0.183 4.137 4.320 -0.000 0.000 0.220 335 A C 2.207 179.806 177.584 0.024 0.000 1.171 335 A CA 1.138 53.227 52.037 0.087 0.000 0.640 335 A CB -0.488 18.679 19.000 0.278 0.000 0.811 335 A HN 0.135 nan 8.150 nan 0.000 0.451 336 I N -0.298 120.175 120.570 -0.163 0.000 2.163 336 I HA -0.175 3.995 4.170 -0.000 0.000 0.240 336 I C 2.507 178.587 176.117 -0.062 0.000 1.081 336 I CA 1.493 62.674 61.300 -0.198 0.000 1.353 336 I CB -1.480 36.323 38.000 -0.328 0.000 1.054 336 I HN 0.339 nan 8.210 nan 0.000 0.407 337 A N 0.198 122.991 122.820 -0.044 0.000 2.268 337 A HA 0.364 4.684 4.320 -0.000 0.000 0.221 337 A C 1.887 179.506 177.584 0.058 0.000 1.287 337 A CA 0.833 52.876 52.037 0.011 0.000 0.902 337 A CB -1.122 17.890 19.000 0.019 0.000 0.877 337 A HN 0.638 nan 8.150 nan 0.000 0.487 338 G N -0.591 108.242 108.800 0.056 0.000 2.855 338 G HA2 -0.415 3.545 3.960 -0.000 0.000 0.231 338 G HA3 -0.415 3.545 3.960 -0.000 0.000 0.231 338 G C 0.418 175.379 174.900 0.102 0.000 1.242 338 G CA 0.703 45.843 45.100 0.066 0.000 0.789 338 G HN 1.022 nan 8.290 nan 0.000 0.517 339 H N 4.372 123.439 119.070 -0.004 0.000 3.188 339 H HA 0.221 4.777 4.556 -0.000 0.000 0.255 339 H C -1.610 173.719 175.328 0.002 0.000 0.815 339 H CA 0.163 56.208 56.048 -0.006 0.000 1.436 339 H CB 0.518 30.269 29.762 -0.018 0.000 1.378 339 H HN 0.351 nan 8.280 nan 0.000 0.510 340 P HA -0.012 nan 4.420 nan 0.000 0.267 340 P C -1.090 176.295 177.300 0.142 0.000 1.209 340 P CA 0.166 63.333 63.100 0.111 0.000 0.763 340 P CB 1.056 32.789 31.700 0.056 0.000 0.816 341 S N 1.589 117.344 115.700 0.092 0.000 2.588 341 S HA 0.869 5.339 4.470 -0.000 0.000 0.269 341 S C -1.422 173.206 174.600 0.046 0.000 1.157 341 S CA -0.841 57.394 58.200 0.059 0.000 0.824 341 S CB 1.688 64.894 63.200 0.010 0.000 1.126 341 S HN 0.697 nan 8.310 nan 0.000 0.464 342 A N 0.388 123.232 122.820 0.040 0.000 2.604 342 A HA 0.711 5.031 4.320 -0.000 0.000 0.295 342 A C 0.066 177.706 177.584 0.093 0.000 1.067 342 A CA -0.298 51.769 52.037 0.049 0.000 0.683 342 A CB 1.099 20.123 19.000 0.040 0.000 1.281 342 A HN 2.048 nan 8.150 nan 0.000 0.407 343 V N -0.808 119.180 119.914 0.123 0.000 3.413 343 V HA 0.210 4.330 4.120 -0.000 0.000 0.344 343 V C -0.033 176.144 176.094 0.140 0.000 1.225 343 V CA 0.612 63.112 62.300 0.333 0.000 1.324 343 V CB -1.555 30.459 31.823 0.319 0.000 1.161 343 V HN 0.661 nan 8.190 nan 0.000 0.432 344 D N 0.992 121.440 120.400 0.081 0.000 2.608 344 D HA 0.181 4.821 4.640 -0.000 0.000 0.224 344 D C 0.082 176.349 176.300 -0.056 0.000 1.123 344 D CA -0.444 53.507 54.000 -0.081 0.000 1.030 344 D CB -0.697 40.084 40.800 -0.031 0.000 1.093 344 D HN 0.706 nan 8.370 nan 0.000 0.497 345 Y N -1.602 118.669 120.300 -0.050 0.000 2.340 345 Y HA 0.462 5.012 4.550 0.000 0.000 0.327 345 Y C 1.059 176.894 175.900 -0.108 0.000 1.321 345 Y CA -1.413 56.593 58.100 -0.157 0.000 1.433 345 Y CB 0.223 38.398 38.460 -0.475 0.000 1.373 345 Y HN -0.132 nan 8.280 nan 0.000 0.538 346 V N 0.009 120.019 119.914 0.160 0.000 2.685 346 V HA 0.420 4.540 4.120 -0.000 0.000 0.244 346 V C 0.603 176.775 176.094 0.130 0.000 1.054 346 V CA 0.911 63.264 62.300 0.089 0.000 1.076 346 V CB -0.287 31.569 31.823 0.054 0.000 0.725 346 V HN 1.024 nan 8.190 nan 0.000 0.467 347 A N -0.474 122.448 122.820 0.169 0.000 2.586 347 A HA 0.652 4.971 4.320 -0.000 0.000 0.296 347 A C -1.434 176.080 177.584 -0.117 0.000 1.040 347 A CA -0.505 51.567 52.037 0.058 0.000 0.701 347 A CB 0.806 19.794 19.000 -0.020 0.000 1.277 347 A HN 0.115 nan 8.150 nan 0.000 0.413 348 I N 3.309 123.758 120.570 -0.202 0.000 2.339 348 I HA 0.417 4.587 4.170 -0.000 0.000 0.290 348 I C -1.944 174.082 176.117 -0.151 0.000 0.994 348 I CA -1.903 59.240 61.300 -0.263 0.000 1.191 348 I CB 2.028 39.816 38.000 -0.354 0.000 1.343 348 I HN 0.504 nan 8.210 nan 0.000 0.458 349 P HA 0.322 nan 4.420 nan 0.000 0.275 349 P C -1.050 176.192 177.300 -0.096 0.000 1.228 349 P CA -0.330 62.713 63.100 -0.095 0.000 0.786 349 P CB 1.592 33.250 31.700 -0.069 0.000 0.927 350 A N 2.339 125.111 122.820 -0.080 0.000 2.350 350 A HA 0.678 4.998 4.320 -0.000 0.000 0.324 350 A C -0.838 176.734 177.584 -0.021 0.000 1.118 350 A CA -0.642 51.355 52.037 -0.067 0.000 0.783 350 A CB 1.378 20.343 19.000 -0.059 0.000 1.236 350 A HN 0.342 nan 8.150 nan 0.000 0.457 351 V N 1.692 121.547 119.914 -0.099 0.000 2.841 351 V HA 0.599 4.719 4.120 -0.000 0.000 0.310 351 V C -0.777 175.150 176.094 -0.278 0.000 1.090 351 V CA -0.540 61.630 62.300 -0.217 0.000 0.930 351 V CB 2.021 33.631 31.823 -0.355 0.000 1.014 351 V HN 0.731 nan 8.190 nan 0.000 0.425 352 V N 3.553 123.241 119.914 -0.377 0.000 2.531 352 V HA 0.462 4.582 4.120 -0.000 0.000 0.301 352 V C -0.781 175.091 176.094 -0.368 0.000 1.034 352 V CA -0.405 61.743 62.300 -0.254 0.000 0.865 352 V CB 1.739 33.416 31.823 -0.243 0.000 0.995 352 V HN 0.742 nan 8.190 nan 0.000 0.424 353 F N 3.087 123.015 119.950 -0.037 0.000 2.660 353 F HA 0.297 4.824 4.527 -0.000 0.000 0.342 353 F C 1.373 177.138 175.800 -0.058 0.000 1.195 353 F CA -0.241 57.725 58.000 -0.058 0.000 1.300 353 F CB 0.080 39.060 39.000 -0.034 0.000 1.616 353 F HN 0.553 nan 8.300 nan 0.000 0.592 354 S N -1.670 114.021 115.700 -0.015 0.000 2.686 354 S HA 0.130 4.600 4.470 -0.000 0.000 0.270 354 S C 1.207 175.793 174.600 -0.024 0.000 1.194 354 S CA -0.897 57.290 58.200 -0.022 0.000 0.990 354 S CB 1.244 64.390 63.200 -0.091 0.000 1.029 354 S HN 0.403 nan 8.310 nan 0.000 0.560 355 D N 1.734 122.135 120.400 0.003 0.000 2.106 355 D HA -0.028 4.612 4.640 -0.000 0.000 0.194 355 D C -1.722 174.544 176.300 -0.056 0.000 0.988 355 D CA 1.091 55.120 54.000 0.049 0.000 0.845 355 D CB -1.490 39.358 40.800 0.079 0.000 0.990 355 D HN 0.346 nan 8.370 nan 0.000 0.448 356 P HA 0.143 nan 4.420 nan 0.000 0.275 356 P C -0.616 176.551 177.300 -0.221 0.000 1.276 356 P CA 0.073 63.066 63.100 -0.179 0.000 0.782 356 P CB 0.584 32.167 31.700 -0.196 0.000 0.851 357 E N 2.005 122.063 120.200 -0.237 0.000 2.467 357 E HA 0.029 4.379 4.350 -0.000 0.000 0.264 357 E C -0.553 175.843 176.600 -0.339 0.000 1.020 357 E CA 0.364 56.594 56.400 -0.284 0.000 0.945 357 E CB 0.354 29.891 29.700 -0.272 0.000 0.942 357 E HN 0.420 nan 8.360 nan 0.000 0.449 358 C N 2.217 121.279 119.300 -0.397 0.000 2.614 358 C HA 0.911 5.371 4.460 -0.000 0.000 0.320 358 C C -0.611 174.198 174.990 -0.300 0.000 1.200 358 C CA -0.181 58.592 59.018 -0.407 0.000 1.700 358 C CB 1.082 28.421 27.740 -0.669 0.000 2.275 358 C HN 0.773 nan 8.230 nan 0.000 0.492 359 A N 2.000 124.757 122.820 -0.105 0.000 2.594 359 A HA 0.854 5.174 4.320 -0.000 0.000 0.296 359 A C -0.822 176.827 177.584 0.107 0.000 1.056 359 A CA -0.149 51.895 52.037 0.011 0.000 0.693 359 A CB 1.165 20.105 19.000 -0.099 0.000 1.278 359 A HN 1.511 nan 8.150 nan 0.000 0.408 360 S N -0.221 115.519 115.700 0.066 0.000 2.550 360 S HA 0.873 5.343 4.470 -0.000 0.000 0.270 360 S C -1.313 173.183 174.600 -0.173 0.000 1.145 360 S CA -0.331 57.794 58.200 -0.125 0.000 0.852 360 S CB 1.386 64.395 63.200 -0.319 0.000 1.119 360 S HN 2.328 nan 8.310 nan 0.000 0.465 361 V N 0.907 120.685 119.914 -0.227 0.000 2.969 361 V HA 0.794 4.914 4.120 -0.000 0.000 0.304 361 V C 0.401 176.385 176.094 -0.183 0.000 1.192 361 V CA 1.049 63.249 62.300 -0.166 0.000 0.962 361 V CB 1.090 32.853 31.823 -0.099 0.000 1.045 361 V HN 2.626 nan 8.190 nan 0.000 0.428 362 G N 4.159 112.873 108.800 -0.144 0.000 2.750 362 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.228 362 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.228 362 G C -0.710 174.107 174.900 -0.137 0.000 1.367 362 G CA 0.250 45.290 45.100 -0.100 0.000 0.871 362 G HN 1.379 nan 8.290 nan 0.000 0.560 363 Y N -0.816 119.447 120.300 -0.063 0.000 2.578 363 Y HA 0.464 5.014 4.550 -0.000 0.000 0.339 363 Y C 1.228 177.094 175.900 -0.057 0.000 1.231 363 Y CA 0.499 58.600 58.100 0.001 0.000 1.461 363 Y CB 0.285 38.764 38.460 0.031 0.000 1.323 363 Y HN 0.432 nan 8.280 nan 0.000 0.590 364 F N 0.592 120.636 119.950 0.156 0.000 2.378 364 F HA 0.158 4.685 4.527 -0.000 0.000 0.325 364 F C 1.631 177.500 175.800 0.114 0.000 1.097 364 F CA -0.586 57.473 58.000 0.098 0.000 1.079 364 F CB 0.934 39.962 39.000 0.045 0.000 1.240 364 F HN 0.612 nan 8.300 nan 0.000 0.519 365 E N 0.889 121.250 120.200 0.269 0.000 2.114 365 E HA -0.315 4.035 4.350 -0.000 0.000 0.199 365 E C 1.820 178.507 176.600 0.145 0.000 1.008 365 E CA 2.130 58.626 56.400 0.160 0.000 0.810 365 E CB 0.044 29.820 29.700 0.126 0.000 0.739 365 E HN 0.829 nan 8.360 nan 0.000 0.456 366 Q N 0.489 120.390 119.800 0.168 0.000 1.891 366 Q HA -0.315 4.025 4.340 -0.000 0.000 0.214 366 Q C 2.330 178.404 176.000 0.123 0.000 0.995 366 Q CA 1.879 57.749 55.803 0.111 0.000 0.866 366 Q CB -0.941 27.837 28.738 0.067 0.000 0.931 366 Q HN 0.414 nan 8.270 nan 0.000 0.422 367 Q N 0.596 120.499 119.800 0.172 0.000 2.325 367 Q HA -0.183 4.157 4.340 -0.000 0.000 0.211 367 Q C 1.963 178.123 176.000 0.266 0.000 0.988 367 Q CA 1.559 57.489 55.803 0.212 0.000 0.887 367 Q CB -0.343 28.542 28.738 0.245 0.000 0.915 367 Q HN 0.481 nan 8.270 nan 0.000 0.440 368 A N 1.281 124.223 122.820 0.205 0.000 1.874 368 A HA -0.098 4.222 4.320 -0.000 0.000 0.214 368 A C 2.073 179.624 177.584 -0.055 0.000 1.189 368 A CA 1.298 53.298 52.037 -0.062 0.000 0.615 368 A CB -0.386 18.539 19.000 -0.126 0.000 0.830 368 A HN 0.323 nan 8.150 nan 0.000 0.443 369 K N -0.369 120.034 120.400 0.004 0.000 2.026 369 K HA -0.173 4.147 4.320 -0.000 0.000 0.208 369 K C 1.231 177.835 176.600 0.007 0.000 1.048 369 K CA 1.667 57.953 56.287 -0.001 0.000 0.929 369 K CB -0.170 32.340 32.500 0.015 0.000 0.713 369 K HN 0.328 nan 8.250 nan 0.000 0.439 370 D N 0.349 120.767 120.400 0.030 0.000 2.309 370 D HA -0.129 4.511 4.640 -0.000 0.000 0.212 370 D C 1.152 177.471 176.300 0.032 0.000 0.968 370 D CA 0.931 54.949 54.000 0.030 0.000 0.882 370 D CB 0.081 40.903 40.800 0.037 0.000 0.918 370 D HN 0.274 nan 8.370 nan 0.000 0.503 371 E N -0.319 119.903 120.200 0.038 0.000 2.476 371 E HA 0.185 4.535 4.350 -0.000 0.000 0.191 371 E C 0.854 177.452 176.600 -0.004 0.000 1.064 371 E CA 0.273 56.697 56.400 0.039 0.000 0.866 371 E CB -0.138 29.610 29.700 0.081 0.000 0.952 371 E HN 0.181 nan 8.360 nan 0.000 0.492 372 G N 1.028 109.820 108.800 -0.013 0.000 2.225 372 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.264 372 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.264 372 G C 0.006 174.877 174.900 -0.047 0.000 1.060 372 G CA 0.367 45.454 45.100 -0.023 0.000 0.833 372 G HN 0.280 nan 8.290 nan 0.000 0.498 373 I N 1.367 121.890 120.570 -0.077 0.000 2.377 373 I HA 0.246 4.416 4.170 -0.000 0.000 0.293 373 I C 0.127 176.194 176.117 -0.083 0.000 0.987 373 I CA -0.997 60.236 61.300 -0.112 0.000 1.185 373 I CB 1.331 39.196 38.000 -0.225 0.000 1.341 373 I HN 0.300 nan 8.210 nan 0.000 0.455 374 D N 7.531 127.890 120.400 -0.067 0.000 2.346 374 D HA 0.241 4.881 4.640 -0.000 0.000 0.260 374 D C -0.271 175.999 176.300 -0.050 0.000 1.252 374 D CA -0.092 53.880 54.000 -0.046 0.000 0.895 374 D CB 1.345 42.124 40.800 -0.035 0.000 1.097 374 D HN 0.284 nan 8.370 nan 0.000 0.489 375 V N -0.121 119.769 119.914 -0.039 0.000 3.078 375 V HA 0.739 4.859 4.120 -0.000 0.000 0.311 375 V C -0.307 175.779 176.094 -0.012 0.000 1.138 375 V CA -1.227 61.053 62.300 -0.032 0.000 1.007 375 V CB 2.009 33.809 31.823 -0.039 0.000 1.045 375 V HN 0.584 nan 8.190 nan 0.000 0.432 376 I N 0.661 121.228 120.570 -0.005 0.000 2.646 376 I HA 1.013 5.183 4.170 -0.000 0.000 0.299 376 I C -0.152 175.974 176.117 0.014 0.000 1.036 376 I CA -0.980 60.322 61.300 0.004 0.000 1.074 376 I CB 2.035 40.037 38.000 0.003 0.000 1.258 376 I HN 1.015 nan 8.210 nan 0.000 0.430 377 A N 4.554 127.386 122.820 0.020 0.000 2.304 377 A HA 0.878 5.198 4.320 -0.000 0.000 0.314 377 A C -0.330 177.273 177.584 0.032 0.000 1.187 377 A CA -0.540 51.517 52.037 0.033 0.000 0.810 377 A CB 1.053 20.076 19.000 0.038 0.000 1.183 377 A HN 1.100 nan 8.150 nan 0.000 0.487 378 A N 2.884 125.732 122.820 0.048 0.000 2.303 378 A HA 0.712 5.032 4.320 -0.000 0.000 0.320 378 A C -0.164 177.476 177.584 0.093 0.000 1.192 378 A CA -0.586 51.486 52.037 0.059 0.000 0.821 378 A CB 0.734 19.767 19.000 0.055 0.000 1.188 378 A HN 0.805 nan 8.150 nan 0.000 0.492 379 K N 2.404 122.857 120.400 0.089 0.000 2.378 379 K HA 0.648 4.968 4.320 -0.000 0.000 0.252 379 K C -2.194 174.514 176.600 0.181 0.000 0.931 379 K CA -0.464 55.895 56.287 0.121 0.000 0.794 379 K CB 1.403 33.868 32.500 -0.058 0.000 1.181 379 K HN 0.569 nan 8.250 nan 0.000 0.425 380 F N 5.752 125.766 119.950 0.105 0.000 2.539 380 F HA 0.454 4.981 4.527 -0.000 0.000 0.318 380 F C -2.368 173.522 175.800 0.149 0.000 1.135 380 F CA -2.063 55.979 58.000 0.069 0.000 0.915 380 F CB 1.866 40.866 39.000 0.001 0.000 1.176 380 F HN 0.386 nan 8.300 nan 0.000 0.440 381 P HA 0.108 nan 4.420 nan 0.000 0.280 381 P C 0.349 177.664 177.300 0.026 0.000 1.244 381 P CA 0.002 63.063 63.100 -0.065 0.000 0.784 381 P CB 0.929 32.510 31.700 -0.198 0.000 0.913 382 F N 2.351 122.334 119.950 0.055 0.000 2.293 382 F HA -0.108 4.419 4.527 -0.000 0.000 0.300 382 F C 2.619 178.440 175.800 0.036 0.000 1.086 382 F CA 1.707 59.756 58.000 0.082 0.000 1.375 382 F CB -1.320 37.713 39.000 0.055 0.000 1.045 382 F HN 0.368 nan 8.300 nan 0.000 0.516 383 A N -0.096 122.819 122.820 0.158 0.000 1.978 383 A HA -0.001 4.319 4.320 -0.000 0.000 0.220 383 A C 1.992 179.588 177.584 0.020 0.000 1.170 383 A CA 1.440 53.517 52.037 0.068 0.000 0.636 383 A CB -1.054 17.964 19.000 0.028 0.000 0.810 383 A HN 0.202 nan 8.150 nan 0.000 0.448 384 A N -0.075 122.719 122.820 -0.045 0.000 2.929 384 A HA 0.371 4.691 4.320 -0.000 0.000 0.279 384 A C 0.242 177.905 177.584 0.132 0.000 1.418 384 A CA -0.346 51.680 52.037 -0.019 0.000 1.035 384 A CB -0.587 18.300 19.000 -0.189 0.000 1.047 384 A HN 0.443 nan 8.150 nan 0.000 0.609 385 N N -0.320 118.441 118.700 0.101 0.000 2.397 385 N HA 0.238 4.978 4.740 -0.000 0.000 0.291 385 N C 0.990 176.519 175.510 0.032 0.000 1.065 385 N CA 0.378 53.477 53.050 0.080 0.000 0.884 385 N CB 1.866 40.381 38.487 0.046 0.000 1.551 385 N HN 0.082 nan 8.380 nan 0.000 0.487 386 G N 2.715 111.509 108.800 -0.009 0.000 2.442 386 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.219 386 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.219 386 G C 1.405 176.289 174.900 -0.028 0.000 1.141 386 G CA 0.778 45.864 45.100 -0.024 0.000 0.763 386 G HN 0.591 nan 8.290 nan 0.000 0.554 387 R N 1.083 121.550 120.500 -0.054 0.000 2.075 387 R HA 0.149 4.489 4.340 -0.000 0.000 0.232 387 R C 2.777 179.097 176.300 0.034 0.000 1.126 387 R CA 1.802 57.887 56.100 -0.025 0.000 0.963 387 R CB -0.893 29.380 30.300 -0.045 0.000 0.858 387 R HN 0.224 nan 8.270 nan 0.000 0.435 388 A N 0.279 123.141 122.820 0.071 0.000 1.902 388 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 388 A C 2.056 179.696 177.584 0.093 0.000 1.181 388 A CA 1.450 53.572 52.037 0.143 0.000 0.623 388 A CB -0.639 18.508 19.000 0.245 0.000 0.818 388 A HN 0.304 nan 8.150 nan 0.000 0.443 389 L N -0.356 120.906 121.223 0.067 0.000 2.042 389 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 389 L C 2.989 179.882 176.870 0.038 0.000 1.076 389 L CA 1.871 56.740 54.840 0.048 0.000 0.749 389 L CB -0.711 41.371 42.059 0.037 0.000 0.893 389 L HN 0.397 nan 8.230 nan 0.000 0.432 390 A N -0.966 121.873 122.820 0.031 0.000 1.933 390 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 390 A C 2.232 179.834 177.584 0.031 0.000 1.175 390 A CA 1.479 53.532 52.037 0.025 0.000 0.628 390 A CB -0.732 18.278 19.000 0.016 0.000 0.814 390 A HN 0.397 nan 8.150 nan 0.000 0.444 391 L N -1.510 119.738 121.223 0.041 0.000 2.478 391 L HA -0.021 4.318 4.340 -0.000 0.000 0.223 391 L C 0.876 177.772 176.870 0.042 0.000 1.140 391 L CA 0.625 55.491 54.840 0.044 0.000 0.842 391 L CB -0.402 41.691 42.059 0.057 0.000 0.953 391 L HN 0.588 nan 8.230 nan 0.000 0.452 392 N N 0.708 119.433 118.700 0.041 0.000 2.758 392 N HA -0.222 4.518 4.740 -0.000 0.000 0.248 392 N C -0.530 175.001 175.510 0.035 0.000 1.076 392 N CA 0.559 53.630 53.050 0.035 0.000 0.696 392 N CB -0.904 37.600 38.487 0.028 0.000 0.979 392 N HN 0.249 nan 8.380 nan 0.000 0.550 393 D N -0.745 119.682 120.400 0.044 0.000 2.405 393 D HA 0.250 4.890 4.640 -0.000 0.000 0.264 393 D C 0.896 177.224 176.300 0.047 0.000 1.240 393 D CA 0.235 54.252 54.000 0.029 0.000 0.893 393 D CB 0.140 40.949 40.800 0.015 0.000 1.198 393 D HN 0.326 nan 8.370 nan 0.000 0.514 394 T N -1.579 113.003 114.554 0.047 0.000 3.100 394 T HA 0.065 4.415 4.350 -0.000 0.000 0.253 394 T C 0.513 175.248 174.700 0.059 0.000 1.118 394 T CA -0.168 61.979 62.100 0.078 0.000 1.058 394 T CB 0.308 69.212 68.868 0.059 0.000 0.953 394 T HN 0.064 nan 8.240 nan 0.000 0.515 395 D N 2.038 122.434 120.400 -0.007 0.000 2.351 395 D HA 0.540 5.180 4.640 -0.000 0.000 0.251 395 D C 0.744 176.957 176.300 -0.144 0.000 1.137 395 D CA 0.836 54.814 54.000 -0.036 0.000 0.879 395 D CB 1.004 41.772 40.800 -0.053 0.000 1.181 395 D HN 0.607 nan 8.370 nan 0.000 0.448 396 G N 0.688 109.446 108.800 -0.072 0.000 2.326 396 G HA2 0.374 4.334 3.960 -0.000 0.000 0.413 396 G HA3 0.374 4.334 3.960 -0.000 0.000 0.413 396 G C -1.438 173.600 174.900 0.230 0.000 1.444 396 G CA -0.937 44.016 45.100 -0.245 0.000 1.002 396 G HN 0.443 nan 8.290 nan 0.000 0.649 397 F N -1.305 118.767 119.950 0.204 0.000 2.741 397 F HA 0.871 5.398 4.527 -0.000 0.000 0.311 397 F C -1.653 174.385 175.800 0.396 0.000 1.149 397 F CA -1.581 56.647 58.000 0.379 0.000 0.930 397 F CB 1.601 40.700 39.000 0.165 0.000 1.312 397 F HN 0.704 nan 8.300 nan 0.000 0.450 398 L N 2.702 124.296 121.223 0.618 0.000 2.362 398 L HA 0.631 4.971 4.340 -0.000 0.000 0.275 398 L C -1.123 176.033 176.870 0.476 0.000 0.998 398 L CA -0.595 54.484 54.840 0.397 0.000 0.820 398 L CB 1.668 43.875 42.059 0.246 0.000 1.270 398 L HN 0.897 nan 8.230 nan 0.000 0.415 399 K N 4.411 125.051 120.400 0.401 0.000 2.259 399 K HA 0.647 4.967 4.320 -0.000 0.000 0.252 399 K C -1.908 174.790 176.600 0.164 0.000 0.936 399 K CA -0.701 55.776 56.287 0.317 0.000 0.810 399 K CB 1.827 34.571 32.500 0.407 0.000 1.143 399 K HN 0.508 nan 8.250 nan 0.000 0.427 400 L N 4.525 125.817 121.223 0.115 0.000 2.409 400 L HA 0.420 4.760 4.340 -0.000 0.000 0.272 400 L C -1.401 175.501 176.870 0.053 0.000 0.980 400 L CA -0.701 54.178 54.840 0.066 0.000 0.826 400 L CB 2.034 44.125 42.059 0.053 0.000 1.268 400 L HN 0.464 nan 8.230 nan 0.000 0.407 401 V N 4.227 124.164 119.914 0.038 0.000 2.350 401 V HA 0.815 4.935 4.120 -0.000 0.000 0.285 401 V C -0.625 175.479 176.094 0.016 0.000 1.014 401 V CA -0.650 61.669 62.300 0.032 0.000 0.831 401 V CB 1.443 33.294 31.823 0.045 0.000 1.000 401 V HN 0.621 nan 8.190 nan 0.000 0.433 402 V N 3.429 123.347 119.914 0.007 0.000 2.667 402 V HA 0.645 4.765 4.120 -0.000 0.000 0.308 402 V C 0.242 176.325 176.094 -0.019 0.000 1.048 402 V CA -1.071 61.227 62.300 -0.003 0.000 0.928 402 V CB 1.734 33.558 31.823 0.002 0.000 1.004 402 V HN 1.110 nan 8.190 nan 0.000 0.444 403 R N 3.100 123.582 120.500 -0.029 0.000 2.404 403 R HA 0.156 4.496 4.340 -0.000 0.000 0.315 403 R C 1.282 177.565 176.300 -0.028 0.000 1.032 403 R CA 0.227 56.301 56.100 -0.043 0.000 0.992 403 R CB 0.402 30.674 30.300 -0.048 0.000 0.959 403 R HN 0.979 nan 8.270 nan 0.000 0.428 404 K N 2.556 122.939 120.400 -0.028 0.000 2.211 404 K HA -0.194 4.126 4.320 -0.000 0.000 0.204 404 K C 0.569 177.159 176.600 -0.017 0.000 1.047 404 K CA 1.546 57.821 56.287 -0.019 0.000 0.935 404 K CB 0.207 32.696 32.500 -0.019 0.000 0.728 404 K HN 0.429 nan 8.250 nan 0.000 0.452 405 E N 0.595 120.782 120.200 -0.021 0.000 2.296 405 E HA -0.047 4.303 4.350 -0.000 0.000 0.196 405 E C -1.032 175.559 176.600 -0.015 0.000 1.143 405 E CA 0.482 56.872 56.400 -0.018 0.000 1.145 405 E CB 0.132 29.820 29.700 -0.021 0.000 1.215 405 E HN 0.461 nan 8.360 nan 0.000 0.447 406 D N -4.543 115.850 120.400 -0.012 0.000 4.383 406 D HA -0.063 4.577 4.640 -0.000 0.000 0.154 406 D C 1.039 177.334 176.300 -0.007 0.000 0.416 406 D CA 0.400 54.395 54.000 -0.009 0.000 0.604 406 D CB -1.410 39.385 40.800 -0.008 0.000 1.641 406 D HN 0.171 nan 8.370 nan 0.000 0.062 407 G N 0.305 109.100 108.800 -0.008 0.000 2.180 407 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.263 407 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.263 407 G C 0.368 175.266 174.900 -0.003 0.000 0.989 407 G CA 0.511 45.607 45.100 -0.005 0.000 0.692 407 G HN 0.824 nan 8.290 nan 0.000 0.526 408 V N 1.519 121.430 119.914 -0.005 0.000 2.637 408 V HA 0.264 4.384 4.120 -0.000 0.000 0.296 408 V C 1.371 177.467 176.094 0.002 0.000 1.046 408 V CA -0.142 62.158 62.300 0.000 0.000 1.066 408 V CB 1.187 33.010 31.823 -0.000 0.000 0.968 408 V HN 0.316 nan 8.190 nan 0.000 0.483 409 I N 6.172 126.748 120.570 0.010 0.000 2.471 409 I HA 0.165 4.335 4.170 -0.000 0.000 0.286 409 I C 1.086 177.220 176.117 0.028 0.000 1.079 409 I CA 0.268 61.578 61.300 0.016 0.000 1.398 409 I CB 0.700 38.710 38.000 0.016 0.000 1.403 409 I HN 0.679 nan 8.210 nan 0.000 0.530 410 I N 2.076 122.669 120.570 0.038 0.000 4.456 410 I HA 0.523 4.693 4.170 -0.000 0.000 0.329 410 I C 0.668 176.866 176.117 0.135 0.000 1.313 410 I CA -0.145 61.211 61.300 0.093 0.000 1.205 410 I CB 0.762 38.796 38.000 0.056 0.000 1.179 410 I HN 0.543 nan 8.210 nan 0.000 0.419 411 G N 1.300 110.138 108.800 0.064 0.000 2.732 411 G HA2 0.746 4.706 3.960 -0.000 0.000 0.296 411 G HA3 0.746 4.706 3.960 -0.000 0.000 0.296 411 G C -1.921 172.958 174.900 -0.035 0.000 1.448 411 G CA -0.155 44.950 45.100 0.007 0.000 0.911 411 G HN 0.381 nan 8.290 nan 0.000 0.528 412 A N 0.785 123.548 122.820 -0.095 0.000 2.488 412 A HA 0.867 5.187 4.320 -0.000 0.000 0.298 412 A C -1.102 176.412 177.584 -0.117 0.000 1.044 412 A CA -0.642 51.358 52.037 -0.061 0.000 0.693 412 A CB 2.226 21.212 19.000 -0.023 0.000 1.272 412 A HN 0.613 nan 8.150 nan 0.000 0.402 413 Q N 0.518 120.291 119.800 -0.045 0.000 2.323 413 Q HA 0.766 5.106 4.340 -0.000 0.000 0.271 413 Q C -1.208 174.785 176.000 -0.012 0.000 1.048 413 Q CA -0.011 55.769 55.803 -0.038 0.000 0.792 413 Q CB 2.481 31.231 28.738 0.020 0.000 1.280 413 Q HN 0.672 nan 8.270 nan 0.000 0.441 414 I N 2.362 122.894 120.570 -0.064 0.000 2.582 414 I HA 0.578 4.748 4.170 -0.000 0.000 0.292 414 I C -1.004 174.960 176.117 -0.255 0.000 1.066 414 I CA -0.953 60.286 61.300 -0.103 0.000 1.053 414 I CB 2.045 40.053 38.000 0.013 0.000 1.241 414 I HN 0.542 nan 8.210 nan 0.000 0.421 415 I N 4.886 125.194 120.570 -0.437 0.000 2.497 415 I HA 0.807 4.977 4.170 -0.000 0.000 0.284 415 I C -0.347 175.380 176.117 -0.650 0.000 1.060 415 I CA 0.295 61.293 61.300 -0.503 0.000 1.071 415 I CB 1.297 38.958 38.000 -0.565 0.000 1.216 415 I HN 0.835 nan 8.210 nan 0.000 0.442 416 G N 6.268 114.698 108.800 -0.616 0.000 2.343 416 G HA2 0.175 4.135 3.960 -0.000 0.000 0.289 416 G HA3 0.175 4.135 3.960 -0.000 0.000 0.289 416 G C -3.417 171.196 174.900 -0.479 0.000 1.295 416 G CA -0.803 43.776 45.100 -0.868 0.000 0.869 416 G HN 0.305 nan 8.290 nan 0.000 0.522 417 P HA 0.224 nan 4.420 nan 0.000 0.268 417 P C 0.006 177.306 177.300 -0.000 0.000 1.204 417 P CA 0.290 63.330 63.100 -0.101 0.000 0.768 417 P CB 0.312 32.012 31.700 -0.000 0.000 0.842 418 N N 1.034 119.724 118.700 -0.017 0.000 2.708 418 N HA -0.247 4.493 4.740 -0.000 0.000 0.251 418 N C 0.983 176.498 175.510 0.008 0.000 1.123 418 N CA 1.168 54.228 53.050 0.017 0.000 0.739 418 N CB -1.599 36.921 38.487 0.055 0.000 1.113 418 N HN 0.526 nan 8.380 nan 0.000 0.561 419 A N 0.199 122.989 122.820 -0.052 0.000 2.024 419 A HA -0.159 4.161 4.320 -0.000 0.000 0.220 419 A C 2.194 179.725 177.584 -0.088 0.000 1.164 419 A CA 2.078 54.081 52.037 -0.056 0.000 0.643 419 A CB -0.527 18.389 19.000 -0.140 0.000 0.806 419 A HN 0.659 nan 8.150 nan 0.000 0.451 420 S N -0.589 115.026 115.700 -0.141 0.000 2.447 420 S HA -0.115 4.355 4.470 -0.000 0.000 0.233 420 S C 1.199 175.782 174.600 -0.029 0.000 1.006 420 S CA 1.267 59.384 58.200 -0.138 0.000 0.957 420 S CB -0.196 62.876 63.200 -0.214 0.000 0.773 420 S HN 0.533 nan 8.310 nan 0.000 0.507 421 D N 1.179 121.580 120.400 0.002 0.000 2.338 421 D HA 0.227 4.867 4.640 -0.000 0.000 0.224 421 D C 1.987 178.298 176.300 0.017 0.000 0.967 421 D CA 0.728 54.742 54.000 0.022 0.000 0.896 421 D CB -0.289 40.532 40.800 0.036 0.000 1.028 421 D HN 0.380 nan 8.370 nan 0.000 0.493 422 M N 0.331 119.946 119.600 0.025 0.000 2.149 422 M HA -0.132 4.348 4.480 -0.000 0.000 0.261 422 M C 2.131 178.443 176.300 0.020 0.000 1.064 422 M CA 0.819 56.140 55.300 0.035 0.000 1.102 422 M CB -0.127 32.515 32.600 0.069 0.000 1.369 422 M HN -0.030 nan 8.290 nan 0.000 0.408 423 I N 1.009 121.581 120.570 0.003 0.000 2.423 423 I HA -0.240 3.930 4.170 -0.000 0.000 0.254 423 I C 2.416 178.528 176.117 -0.009 0.000 1.151 423 I CA 1.293 62.586 61.300 -0.011 0.000 1.421 423 I CB -0.500 37.479 38.000 -0.036 0.000 1.079 423 I HN 0.195 nan 8.210 nan 0.000 0.431 424 A N -0.211 122.607 122.820 -0.003 0.000 1.892 424 A HA -0.328 3.992 4.320 -0.000 0.000 0.218 424 A C 2.385 179.966 177.584 -0.004 0.000 1.188 424 A CA 2.188 54.224 52.037 -0.001 0.000 0.631 424 A CB -0.914 18.089 19.000 0.006 0.000 0.822 424 A HN 0.616 nan 8.150 nan 0.000 0.447 425 E N -0.161 120.038 120.200 -0.002 0.000 2.023 425 E HA -0.204 4.146 4.350 -0.000 0.000 0.196 425 E C 1.980 178.581 176.600 0.003 0.000 1.003 425 E CA 1.466 57.862 56.400 -0.006 0.000 0.809 425 E CB -0.285 29.413 29.700 -0.003 0.000 0.755 425 E HN 0.608 nan 8.360 nan 0.000 0.449 426 L N 0.330 121.559 121.223 0.010 0.000 2.127 426 L HA -0.134 4.206 4.340 -0.000 0.000 0.211 426 L C 2.618 179.486 176.870 -0.003 0.000 1.089 426 L CA 1.145 55.990 54.840 0.008 0.000 0.757 426 L CB -0.579 41.484 42.059 0.007 0.000 0.899 426 L HN 0.325 nan 8.230 nan 0.000 0.434 427 G N -0.028 108.766 108.800 -0.010 0.000 2.402 427 G HA2 -0.257 3.702 3.960 -0.000 0.000 0.216 427 G HA3 -0.257 3.702 3.960 -0.000 0.000 0.216 427 G C 1.549 176.444 174.900 -0.009 0.000 1.162 427 G CA 0.569 45.660 45.100 -0.016 0.000 0.777 427 G HN 0.195 nan 8.290 nan 0.000 0.539 428 L N 1.433 122.653 121.223 -0.005 0.000 2.017 428 L HA 0.165 4.505 4.340 -0.000 0.000 0.208 428 L C 3.102 179.974 176.870 0.002 0.000 1.073 428 L CA 2.059 56.898 54.840 -0.003 0.000 0.745 428 L CB -0.885 41.170 42.059 -0.006 0.000 0.894 428 L HN 0.245 nan 8.230 nan 0.000 0.432 429 A N -0.097 122.725 122.820 0.004 0.000 1.865 429 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 429 A C 2.297 179.888 177.584 0.012 0.000 1.191 429 A CA 2.327 54.369 52.037 0.009 0.000 0.623 429 A CB -1.005 18.004 19.000 0.014 0.000 0.826 429 A HN 0.498 nan 8.150 nan 0.000 0.444 430 I N -0.352 120.225 120.570 0.012 0.000 2.194 430 I HA -0.279 3.891 4.170 -0.000 0.000 0.246 430 I C 2.667 178.798 176.117 0.023 0.000 1.093 430 I CA 1.895 63.207 61.300 0.019 0.000 1.355 430 I CB -0.342 37.667 38.000 0.015 0.000 1.046 430 I HN 0.552 nan 8.210 nan 0.000 0.413 431 E N 1.672 121.882 120.200 0.017 0.000 2.152 431 E HA -0.176 4.174 4.350 -0.000 0.000 0.192 431 E C 2.021 178.634 176.600 0.021 0.000 0.983 431 E CA 1.343 57.756 56.400 0.021 0.000 0.818 431 E CB 0.096 29.805 29.700 0.015 0.000 0.758 431 E HN 0.457 nan 8.360 nan 0.000 0.467 432 A N 0.256 123.085 122.820 0.016 0.000 2.238 432 A HA 0.242 4.562 4.320 -0.000 0.000 0.208 432 A C 1.617 179.210 177.584 0.014 0.000 1.177 432 A CA 0.954 52.999 52.037 0.014 0.000 0.804 432 A CB -0.491 18.515 19.000 0.010 0.000 0.823 432 A HN 0.408 nan 8.150 nan 0.000 0.482 433 G N -0.585 108.226 108.800 0.017 0.000 2.225 433 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.267 433 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.267 433 G C 0.182 175.090 174.900 0.013 0.000 1.024 433 G CA 0.566 45.676 45.100 0.017 0.000 0.784 433 G HN 0.468 nan 8.290 nan 0.000 0.507 434 M N 1.217 120.824 119.600 0.012 0.000 2.248 434 M HA 0.326 4.806 4.480 -0.000 0.000 0.337 434 M C 1.351 177.657 176.300 0.010 0.000 1.121 434 M CA 0.686 55.993 55.300 0.011 0.000 1.155 434 M CB 0.445 33.052 32.600 0.012 0.000 1.514 434 M HN 0.429 nan 8.290 nan 0.000 0.452 435 T N -0.577 113.981 114.554 0.008 0.000 2.918 435 T HA 0.512 4.862 4.350 -0.000 0.000 0.283 435 T C 1.123 175.827 174.700 0.007 0.000 1.001 435 T CA -0.499 61.604 62.100 0.006 0.000 1.041 435 T CB 1.430 70.300 68.868 0.003 0.000 1.028 435 T HN 0.696 nan 8.240 nan 0.000 0.511 436 A N 0.392 123.214 122.820 0.004 0.000 1.917 436 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 436 A C 2.237 179.820 177.584 -0.001 0.000 1.182 436 A CA 2.152 54.190 52.037 0.001 0.000 0.633 436 A CB -1.196 17.803 19.000 -0.001 0.000 0.819 436 A HN 1.043 nan 8.150 nan 0.000 0.448 437 E N -0.478 119.721 120.200 -0.001 0.000 2.110 437 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 437 E C 1.306 177.909 176.600 0.004 0.000 0.988 437 E CA 1.168 57.566 56.400 -0.002 0.000 0.804 437 E CB -0.134 29.564 29.700 -0.002 0.000 0.745 437 E HN 0.552 nan 8.360 nan 0.000 0.458 438 D N 0.277 120.683 120.400 0.009 0.000 2.149 438 D HA -0.159 4.481 4.640 -0.000 0.000 0.198 438 D C 1.950 178.268 176.300 0.030 0.000 0.990 438 D CA 0.969 54.978 54.000 0.015 0.000 0.839 438 D CB -0.009 40.799 40.800 0.013 0.000 0.948 438 D HN 0.348 nan 8.370 nan 0.000 0.460 439 I N 0.741 121.332 120.570 0.036 0.000 2.333 439 I HA -0.155 4.015 4.170 -0.000 0.000 0.246 439 I C 2.466 178.618 176.117 0.059 0.000 1.106 439 I CA 0.618 61.964 61.300 0.077 0.000 1.411 439 I CB -0.183 37.853 38.000 0.060 0.000 1.082 439 I HN -0.110 nan 8.210 nan 0.000 0.420 440 A N 0.974 123.791 122.820 -0.004 0.000 2.019 440 A HA -0.102 4.218 4.320 -0.000 0.000 0.219 440 A C 2.231 179.805 177.584 -0.016 0.000 1.164 440 A CA 1.204 53.216 52.037 -0.042 0.000 0.644 440 A CB -0.607 18.366 19.000 -0.045 0.000 0.805 440 A HN 0.402 nan 8.150 nan 0.000 0.449 441 L N -0.479 120.749 121.223 0.009 0.000 2.341 441 L HA 0.001 4.341 4.340 -0.000 0.000 0.214 441 L C 0.467 177.358 176.870 0.035 0.000 1.115 441 L CA 0.325 55.173 54.840 0.013 0.000 0.820 441 L CB -0.765 41.300 42.059 0.009 0.000 0.944 441 L HN 0.167 nan 8.230 nan 0.000 0.452 442 T N 2.021 116.618 114.554 0.072 0.000 2.851 442 T HA 0.283 4.633 4.350 -0.000 0.000 0.298 442 T C 0.354 175.172 174.700 0.196 0.000 0.977 442 T CA -0.099 62.062 62.100 0.102 0.000 1.126 442 T CB 0.975 69.899 68.868 0.093 0.000 0.916 442 T HN -0.009 nan 8.240 nan 0.000 0.529 443 I N 4.691 125.332 120.570 0.118 0.000 2.363 443 I HA 0.161 4.331 4.170 -0.000 0.000 0.292 443 I C 1.131 177.345 176.117 0.161 0.000 1.075 443 I CA -0.352 61.026 61.300 0.130 0.000 1.333 443 I CB 0.187 38.219 38.000 0.053 0.000 1.415 443 I HN 0.578 nan 8.210 nan 0.000 0.502 444 H N 4.389 123.448 119.070 -0.018 0.000 2.508 444 H HA 0.490 5.046 4.556 -0.000 0.000 0.358 444 H C 0.316 175.649 175.328 0.008 0.000 1.212 444 H CA -1.032 55.007 56.048 -0.015 0.000 1.356 444 H CB 1.344 31.084 29.762 -0.037 0.000 1.525 444 H HN 0.682 nan 8.280 nan 0.000 0.578 445 A N 0.840 123.730 122.820 0.117 0.000 2.386 445 A HA 0.125 4.445 4.320 -0.000 0.000 0.246 445 A C -0.358 177.308 177.584 0.136 0.000 1.089 445 A CA 0.273 52.366 52.037 0.094 0.000 0.790 445 A CB -0.029 19.001 19.000 0.050 0.000 1.042 445 A HN 0.894 nan 8.150 nan 0.000 0.497 446 H N 0.104 119.183 119.070 0.016 0.000 2.954 446 H HA 0.573 5.129 4.556 -0.000 0.000 0.361 446 H C -2.803 172.530 175.328 0.009 0.000 1.122 446 H CA -1.317 54.736 56.048 0.008 0.000 1.217 446 H CB 1.713 31.476 29.762 0.002 0.000 1.776 446 H HN 0.608 nan 8.280 nan 0.000 0.533 447 P HA 0.282 nan 4.420 nan 0.000 0.301 447 P C -1.162 176.020 177.300 -0.198 0.000 1.348 447 P CA -0.472 62.303 63.100 -0.542 0.000 0.826 447 P CB 1.709 33.084 31.700 -0.541 0.000 0.945 448 T N -1.088 113.374 114.554 -0.154 0.000 2.865 448 T HA 0.395 4.745 4.350 -0.000 0.000 0.294 448 T C 1.122 175.778 174.700 -0.072 0.000 1.119 448 T CA -0.909 61.151 62.100 -0.066 0.000 1.007 448 T CB 0.876 69.734 68.868 -0.016 0.000 1.225 448 T HN 0.094 nan 8.240 nan 0.000 0.515 449 L N 0.518 121.721 121.223 -0.033 0.000 2.156 449 L HA 0.188 4.528 4.340 -0.000 0.000 0.208 449 L C 2.918 179.731 176.870 -0.095 0.000 1.095 449 L CA 1.381 56.183 54.840 -0.063 0.000 0.770 449 L CB -0.853 41.244 42.059 0.064 0.000 0.914 449 L HN 1.001 nan 8.230 nan 0.000 0.439 450 G N -0.345 108.445 108.800 -0.016 0.000 2.432 450 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.219 450 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.219 450 G C 1.407 176.338 174.900 0.051 0.000 1.135 450 G CA 0.674 45.799 45.100 0.042 0.000 0.767 450 G HN 0.437 nan 8.290 nan 0.000 0.550 451 E N 0.115 120.299 120.200 -0.027 0.000 2.187 451 E HA -0.177 4.173 4.350 -0.000 0.000 0.199 451 E C 2.369 178.777 176.600 -0.320 0.000 1.004 451 E CA 0.850 57.170 56.400 -0.133 0.000 0.813 451 E CB -0.217 29.415 29.700 -0.113 0.000 0.736 451 E HN 0.586 nan 8.360 nan 0.000 0.468 452 I N 0.730 121.116 120.570 -0.306 0.000 2.208 452 I HA -0.316 3.854 4.170 -0.000 0.000 0.245 452 I C 2.569 178.453 176.117 -0.389 0.000 1.097 452 I CA 1.078 62.127 61.300 -0.418 0.000 1.363 452 I CB -0.438 37.334 38.000 -0.382 0.000 1.051 452 I HN 0.192 nan 8.210 nan 0.000 0.413 453 A N 0.442 123.115 122.820 -0.244 0.000 1.908 453 A HA -0.284 4.036 4.320 -0.000 0.000 0.218 453 A C 2.423 179.828 177.584 -0.299 0.000 1.181 453 A CA 2.057 53.997 52.037 -0.162 0.000 0.627 453 A CB -0.651 18.359 19.000 0.017 0.000 0.818 453 A HN 0.474 nan 8.150 nan 0.000 0.445 454 M N -1.039 118.193 119.600 -0.613 0.000 2.099 454 M HA -0.119 4.361 4.480 -0.000 0.000 0.262 454 M C 1.641 177.684 176.300 -0.428 0.000 1.067 454 M CA 1.733 56.645 55.300 -0.646 0.000 1.124 454 M CB -0.185 31.820 32.600 -0.991 0.000 1.353 454 M HN 0.300 nan 8.290 nan 0.000 0.410 455 E N 0.288 120.165 120.200 -0.539 0.000 2.338 455 E HA -0.069 4.281 4.350 -0.000 0.000 0.197 455 E C 1.750 178.018 176.600 -0.554 0.000 1.007 455 E CA 1.037 57.060 56.400 -0.629 0.000 0.849 455 E CB -0.083 29.004 29.700 -1.021 0.000 0.774 455 E HN 0.618 nan 8.360 nan 0.000 0.506 456 A N 1.036 123.619 122.820 -0.395 0.000 1.878 456 A HA 0.152 4.472 4.320 -0.000 0.000 0.213 456 A C 2.376 179.925 177.584 -0.059 0.000 1.192 456 A CA 1.164 53.135 52.037 -0.110 0.000 0.619 456 A CB -0.412 18.579 19.000 -0.015 0.000 0.837 456 A HN 0.231 nan 8.150 nan 0.000 0.446 457 A N -0.156 122.609 122.820 -0.092 0.000 1.978 457 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 457 A C 1.861 179.413 177.584 -0.053 0.000 1.170 457 A CA 2.082 54.086 52.037 -0.054 0.000 0.636 457 A CB -0.494 18.472 19.000 -0.056 0.000 0.810 457 A HN 0.582 nan 8.150 nan 0.000 0.448 458 E N -0.337 119.809 120.200 -0.090 0.000 2.038 458 E HA -0.156 4.194 4.350 -0.000 0.000 0.195 458 E C 1.860 178.445 176.600 -0.024 0.000 1.000 458 E CA 1.737 58.096 56.400 -0.068 0.000 0.803 458 E CB -0.281 29.357 29.700 -0.104 0.000 0.750 458 E HN 0.297 nan 8.360 nan 0.000 0.448 459 V N 0.668 120.582 119.914 -0.001 0.000 2.568 459 V HA -0.246 3.874 4.120 -0.000 0.000 0.253 459 V C 2.039 178.147 176.094 0.025 0.000 1.072 459 V CA 1.628 63.951 62.300 0.039 0.000 1.084 459 V CB -0.733 31.148 31.823 0.098 0.000 0.676 459 V HN 0.400 nan 8.190 nan 0.000 0.469 460 A N -0.952 121.876 122.820 0.013 0.000 2.235 460 A HA 0.277 4.597 4.320 -0.000 0.000 0.208 460 A C 0.957 178.543 177.584 0.003 0.000 1.172 460 A CA 0.551 52.594 52.037 0.010 0.000 0.786 460 A CB -0.298 18.708 19.000 0.009 0.000 0.804 460 A HN 0.503 nan 8.150 nan 0.000 0.479 461 L N 0.000 121.223 121.223 0.000 0.000 2.949 461 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 461 L CA 0.000 54.839 54.840 -0.002 0.000 0.813 461 L CB 0.000 42.055 42.059 -0.007 0.000 0.961 461 L HN 0.000 nan 8.230 nan 0.000 0.502