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 1cdo_1_B DATA FIRST_RESID 1 DATA SEQUENCE ATVGKVIKCK AAVAWEANKP LVIEEIEVDV PHANEIRIKI IATGVCHTDL DATA SEQUENCE YHLFEGKHKD GFPVVLGHEG AGIVESVGPG VTEFQPGEKV IPLFISQCGE DATA SEQUENCE CRFCQSPKTN QCVKGWANES PDVMSPKETR FTCKGRKVLQ FLGTSTFSQY DATA SEQUENCE TVVNQIAVAK IDPSAPLDTV CLLGCGVSTG FGAAVNTAKV EPGSTCAVFG DATA SEQUENCE LGAVGLAAVM GCHSAGAKRI IAVDLNPDKF EKAKVFGATD FVNPNDHSEP DATA SEQUENCE ISQVLSKMTN GGVDFSLECV GNVGVMRNAL ESCLKGWGVS VLVGWTDLHD DATA SEQUENCE VATRPIQLIA GRTWKGSMFG GFKGKDGVPK MVKAYLDKKV KLDEFITHRM DATA SEQUENCE PLESVNDAID LMKHGKCIRT VLSL 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.573 177.584 -0.019 0.000 1.274 1 A CA 0.000 52.035 52.037 -0.004 0.000 0.836 1 A CB 0.000 19.000 19.000 -0.000 0.000 0.831 2 T N -1.002 113.537 114.554 -0.025 0.000 2.770 2 T HA 0.173 4.523 4.350 -0.000 0.000 0.263 2 T C 0.912 175.583 174.700 -0.047 0.000 1.039 2 T CA 0.984 63.046 62.100 -0.063 0.000 1.142 2 T CB -1.019 67.784 68.868 -0.107 0.000 0.868 2 T HN 0.611 nan 8.240 nan 0.000 0.435 3 V N 2.883 122.787 119.914 -0.017 0.000 2.678 3 V HA 0.312 4.432 4.120 -0.000 0.000 0.304 3 V C 1.823 177.911 176.094 -0.010 0.000 1.086 3 V CA 1.270 63.567 62.300 -0.005 0.000 1.246 3 V CB -0.566 31.264 31.823 0.011 0.000 0.861 3 V HN 1.026 nan 8.190 nan 0.000 0.491 4 G N 3.859 112.653 108.800 -0.009 0.000 2.162 4 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.260 4 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.260 4 G C 0.056 174.944 174.900 -0.019 0.000 0.976 4 G CA 0.602 45.695 45.100 -0.012 0.000 0.655 4 G HN 0.674 nan 8.290 nan 0.000 0.533 5 K N -0.709 119.674 120.400 -0.028 0.000 2.395 5 K HA 0.672 4.992 4.320 -0.000 0.000 0.247 5 K C 0.131 176.704 176.600 -0.046 0.000 0.973 5 K CA -1.013 55.253 56.287 -0.034 0.000 0.828 5 K CB 2.748 35.224 32.500 -0.039 0.000 1.272 5 K HN 0.027 nan 8.250 nan 0.000 0.439 6 V N 2.843 122.734 119.914 -0.037 0.000 2.715 6 V HA 0.180 4.300 4.120 -0.000 0.000 0.299 6 V C 0.267 176.314 176.094 -0.078 0.000 1.054 6 V CA -0.111 62.167 62.300 -0.038 0.000 1.077 6 V CB 0.444 32.258 31.823 -0.014 0.000 0.972 6 V HN 0.539 nan 8.190 nan 0.000 0.484 7 I N 4.421 124.921 120.570 -0.118 0.000 2.525 7 I HA 0.448 4.617 4.170 -0.000 0.000 0.301 7 I C 0.077 176.114 176.117 -0.133 0.000 0.992 7 I CA -0.675 60.511 61.300 -0.189 0.000 1.162 7 I CB 1.632 39.389 38.000 -0.405 0.000 1.332 7 I HN 0.515 nan 8.210 nan 0.000 0.458 8 K N 5.106 125.439 120.400 -0.112 0.000 2.358 8 K HA 0.619 4.939 4.320 -0.000 0.000 0.260 8 K C -1.099 175.467 176.600 -0.056 0.000 0.956 8 K CA -0.509 55.736 56.287 -0.071 0.000 0.834 8 K CB 1.746 34.221 32.500 -0.042 0.000 1.102 8 K HN 0.809 nan 8.250 nan 0.000 0.431 9 C N -0.222 119.049 119.300 -0.047 0.000 3.316 9 C HA 0.532 4.992 4.460 -0.000 0.000 0.360 9 C C -1.156 173.818 174.990 -0.026 0.000 1.560 9 C CA -1.296 57.724 59.018 0.003 0.000 1.229 9 C CB 0.902 28.707 27.740 0.107 0.000 1.823 9 C HN 0.717 nan 8.230 nan 0.000 0.440 10 K N 0.876 121.270 120.400 -0.009 0.000 2.098 10 K HA 0.782 5.102 4.320 -0.000 0.000 0.261 10 K C -0.356 176.210 176.600 -0.056 0.000 0.987 10 K CA 0.137 56.407 56.287 -0.029 0.000 0.916 10 K CB 1.702 34.193 32.500 -0.015 0.000 1.039 10 K HN 1.183 nan 8.250 nan 0.000 0.455 11 A N 0.640 123.423 122.820 -0.062 0.000 2.577 11 A HA 0.576 4.895 4.320 -0.000 0.000 0.297 11 A C -1.606 175.956 177.584 -0.037 0.000 1.060 11 A CA -0.807 51.192 52.037 -0.063 0.000 0.697 11 A CB 1.420 20.329 19.000 -0.153 0.000 1.281 11 A HN 0.664 nan 8.150 nan 0.000 0.402 12 A N 1.409 124.231 122.820 0.002 0.000 2.350 12 A HA 0.573 4.893 4.320 -0.000 0.000 0.293 12 A C -0.187 177.404 177.584 0.012 0.000 1.231 12 A CA -0.163 51.877 52.037 0.004 0.000 0.883 12 A CB -0.375 18.608 19.000 -0.028 0.000 1.133 12 A HN 1.356 nan 8.150 nan 0.000 0.533 13 V N 2.209 122.086 119.914 -0.062 0.000 2.472 13 V HA 0.591 4.711 4.120 -0.000 0.000 0.290 13 V C 0.622 176.618 176.094 -0.164 0.000 1.037 13 V CA -0.201 61.975 62.300 -0.206 0.000 0.908 13 V CB 1.555 33.087 31.823 -0.486 0.000 0.985 13 V HN 1.003 nan 8.190 nan 0.000 0.454 14 A N 3.778 126.514 122.820 -0.139 0.000 2.540 14 A HA 0.398 4.717 4.320 -0.000 0.000 0.340 14 A C 0.198 177.835 177.584 0.089 0.000 1.424 14 A CA -0.499 51.558 52.037 0.034 0.000 0.940 14 A CB -0.147 18.928 19.000 0.125 0.000 1.149 14 A HN 0.980 nan 8.150 nan 0.000 0.505 15 W N 1.523 122.887 121.300 0.107 0.000 2.425 15 W HA 0.028 4.688 4.660 -0.000 0.000 0.277 15 W C 1.276 177.827 176.519 0.054 0.000 1.231 15 W CA 1.452 58.852 57.345 0.091 0.000 1.248 15 W CB 0.359 29.837 29.460 0.030 0.000 1.117 15 W HN 0.779 nan 8.180 nan 0.000 0.568 16 E N -1.566 118.676 120.200 0.069 0.000 2.429 16 E HA 0.575 4.925 4.350 -0.000 0.000 0.280 16 E C -1.024 175.044 176.600 -0.887 0.000 1.068 16 E CA -1.123 55.007 56.400 -0.449 0.000 0.837 16 E CB 0.790 30.365 29.700 -0.207 0.000 1.357 16 E HN -0.199 nan 8.360 nan 0.000 0.455 17 A N 1.010 123.054 122.820 -1.293 0.000 2.425 17 A HA 0.256 4.576 4.320 -0.000 0.000 0.242 17 A C 0.218 177.580 177.584 -0.370 0.000 1.077 17 A CA 0.574 52.077 52.037 -0.890 0.000 0.781 17 A CB -0.713 17.883 19.000 -0.672 0.000 1.020 17 A HN 0.851 nan 8.150 nan 0.000 0.494 18 N N -0.992 117.573 118.700 -0.225 0.000 2.727 18 N HA -0.176 4.563 4.740 -0.000 0.000 0.249 18 N C -1.067 174.432 175.510 -0.018 0.000 1.048 18 N CA 1.677 54.707 53.050 -0.035 0.000 0.714 18 N CB -0.942 37.569 38.487 0.040 0.000 0.959 18 N HN 0.617 nan 8.380 nan 0.000 0.544 19 K N -0.139 120.224 120.400 -0.062 0.000 2.498 19 K HA 0.458 4.777 4.320 -0.000 0.000 0.254 19 K C -2.495 174.107 176.600 0.002 0.000 0.933 19 K CA -1.730 54.550 56.287 -0.011 0.000 0.806 19 K CB 1.758 34.248 32.500 -0.017 0.000 1.301 19 K HN -0.187 nan 8.250 nan 0.000 0.432 20 P HA 0.045 nan 4.420 nan 0.000 0.269 20 P C -0.624 176.701 177.300 0.043 0.000 1.209 20 P CA -0.487 62.634 63.100 0.035 0.000 0.776 20 P CB 0.442 32.167 31.700 0.042 0.000 0.876 21 L N 2.380 123.621 121.223 0.029 0.000 2.467 21 L HA 0.142 4.482 4.340 -0.000 0.000 0.270 21 L C 0.485 177.390 176.870 0.059 0.000 1.205 21 L CA 0.136 55.002 54.840 0.042 0.000 0.828 21 L CB 0.259 42.328 42.059 0.017 0.000 1.101 21 L HN 0.147 nan 8.230 nan 0.000 0.479 22 V N 3.756 123.730 119.914 0.099 0.000 2.487 22 V HA 0.370 4.489 4.120 -0.000 0.000 0.298 22 V C 0.004 176.149 176.094 0.084 0.000 1.028 22 V CA -0.818 61.553 62.300 0.119 0.000 0.860 22 V CB 1.745 33.710 31.823 0.237 0.000 0.991 22 V HN 0.388 nan 8.190 nan 0.000 0.427 23 I N 4.946 125.543 120.570 0.046 0.000 2.517 23 I HA 0.332 4.502 4.170 -0.000 0.000 0.285 23 I C 0.551 176.696 176.117 0.048 0.000 1.106 23 I CA 0.364 61.677 61.300 0.021 0.000 1.402 23 I CB -0.027 37.972 38.000 -0.002 0.000 1.399 23 I HN 0.666 nan 8.210 nan 0.000 0.535 24 E N 4.747 124.971 120.200 0.039 0.000 2.378 24 E HA 0.348 4.697 4.350 -0.000 0.000 0.265 24 E C -0.729 175.879 176.600 0.014 0.000 0.932 24 E CA -0.850 55.587 56.400 0.062 0.000 0.795 24 E CB 2.337 32.112 29.700 0.125 0.000 1.296 24 E HN 0.492 nan 8.360 nan 0.000 0.438 25 E N 2.093 122.308 120.200 0.024 0.000 2.146 25 E HA 0.365 4.715 4.350 -0.000 0.000 0.282 25 E C -0.460 176.131 176.600 -0.015 0.000 0.989 25 E CA -0.306 56.093 56.400 -0.003 0.000 0.799 25 E CB 0.442 30.147 29.700 0.008 0.000 1.088 25 E HN 0.445 nan 8.360 nan 0.000 0.397 26 I N 0.291 120.818 120.570 -0.073 0.000 3.133 26 I HA 0.616 4.786 4.170 -0.000 0.000 0.311 26 I C -0.909 175.145 176.117 -0.105 0.000 1.072 26 I CA -1.189 60.047 61.300 -0.107 0.000 1.015 26 I CB 1.926 39.774 38.000 -0.254 0.000 1.233 26 I HN 0.262 nan 8.210 nan 0.000 0.473 27 E N 1.734 121.884 120.200 -0.084 0.000 2.176 27 E HA 0.554 4.904 4.350 -0.000 0.000 0.267 27 E C -1.318 175.264 176.600 -0.030 0.000 0.893 27 E CA -0.587 55.783 56.400 -0.050 0.000 0.761 27 E CB 2.317 32.016 29.700 -0.002 0.000 1.133 27 E HN 0.442 nan 8.360 nan 0.000 0.409 28 V N 3.126 123.019 119.914 -0.034 0.000 2.370 28 V HA 0.220 4.340 4.120 -0.000 0.000 0.283 28 V C 0.019 176.159 176.094 0.077 0.000 1.023 28 V CA -0.868 61.479 62.300 0.078 0.000 0.857 28 V CB 1.577 33.434 31.823 0.057 0.000 0.985 28 V HN 0.661 nan 8.190 nan 0.000 0.443 29 D N 2.647 123.128 120.400 0.135 0.000 2.360 29 D HA 0.261 4.901 4.640 -0.000 0.000 0.242 29 D C 0.196 176.560 176.300 0.108 0.000 1.184 29 D CA -0.088 53.982 54.000 0.116 0.000 0.930 29 D CB 1.635 42.534 40.800 0.165 0.000 1.161 29 D HN 0.445 nan 8.370 nan 0.000 0.447 30 V N -0.286 119.685 119.914 0.094 0.000 3.051 30 V HA 0.416 4.536 4.120 -0.000 0.000 0.306 30 V C -2.123 174.066 176.094 0.159 0.000 1.083 30 V CA -1.343 61.002 62.300 0.074 0.000 1.104 30 V CB 0.530 32.365 31.823 0.020 0.000 1.027 30 V HN 0.519 nan 8.190 nan 0.000 0.483 31 P HA 0.236 nan 4.420 nan 0.000 0.276 31 P C -0.386 177.032 177.300 0.196 0.000 1.235 31 P CA 0.105 63.296 63.100 0.151 0.000 0.772 31 P CB 0.305 32.048 31.700 0.073 0.000 0.871 32 H N 0.848 119.914 119.070 -0.005 0.000 2.490 32 H HA 0.354 4.910 4.556 -0.000 0.000 0.354 32 H C 0.670 175.997 175.328 -0.001 0.000 1.365 32 H CA -1.065 54.981 56.048 -0.004 0.000 1.413 32 H CB 0.802 30.560 29.762 -0.008 0.000 1.631 32 H HN 0.512 nan 8.280 nan 0.000 0.607 33 A N 0.690 123.584 122.820 0.123 0.000 2.584 33 A HA -0.104 4.216 4.320 -0.000 0.000 0.239 33 A C 0.554 178.175 177.584 0.063 0.000 1.043 33 A CA 0.622 52.701 52.037 0.069 0.000 0.756 33 A CB -0.852 18.178 19.000 0.050 0.000 0.963 33 A HN 1.034 nan 8.150 nan 0.000 0.511 34 N N 0.009 118.741 118.700 0.052 0.000 2.782 34 N HA -0.167 4.573 4.740 -0.000 0.000 0.251 34 N C -0.488 175.039 175.510 0.029 0.000 1.101 34 N CA 1.291 54.369 53.050 0.046 0.000 0.764 34 N CB -0.996 37.512 38.487 0.036 0.000 1.122 34 N HN 0.889 nan 8.380 nan 0.000 0.561 35 E N -0.061 120.155 120.200 0.028 0.000 2.336 35 E HA 0.711 5.061 4.350 -0.000 0.000 0.267 35 E C -0.866 175.722 176.600 -0.020 0.000 0.906 35 E CA -0.829 55.566 56.400 -0.008 0.000 0.781 35 E CB 2.099 31.798 29.700 -0.001 0.000 1.261 35 E HN 0.031 nan 8.360 nan 0.000 0.436 36 I N 1.166 121.691 120.570 -0.076 0.000 2.533 36 I HA 0.280 4.449 4.170 -0.000 0.000 0.290 36 I C -0.551 175.535 176.117 -0.052 0.000 1.056 36 I CA -0.426 60.817 61.300 -0.094 0.000 1.057 36 I CB 1.861 39.694 38.000 -0.279 0.000 1.240 36 I HN 0.223 nan 8.210 nan 0.000 0.423 37 R N 6.782 127.286 120.500 0.008 0.000 2.265 37 R HA 0.698 5.038 4.340 -0.000 0.000 0.319 37 R C -1.363 174.988 176.300 0.085 0.000 1.006 37 R CA -0.403 55.738 56.100 0.069 0.000 0.880 37 R CB 0.696 31.055 30.300 0.100 0.000 1.077 37 R HN 0.586 nan 8.270 nan 0.000 0.454 38 I N 3.865 124.492 120.570 0.096 0.000 2.465 38 I HA 0.257 4.427 4.170 -0.000 0.000 0.291 38 I C -0.200 175.927 176.117 0.017 0.000 1.014 38 I CA -0.776 60.552 61.300 0.048 0.000 1.093 38 I CB 2.083 40.072 38.000 -0.019 0.000 1.267 38 I HN 0.418 nan 8.210 nan 0.000 0.431 39 K N 7.113 127.449 120.400 -0.106 0.000 2.273 39 K HA 0.352 4.671 4.320 -0.000 0.000 0.287 39 K C -0.568 175.874 176.600 -0.263 0.000 1.089 39 K CA -0.549 55.462 56.287 -0.460 0.000 0.909 39 K CB 0.544 32.767 32.500 -0.461 0.000 1.123 39 K HN 0.467 nan 8.250 nan 0.000 0.473 40 I N 6.529 126.959 120.570 -0.234 0.000 2.471 40 I HA -0.057 4.113 4.170 -0.000 0.000 0.286 40 I C 1.301 177.349 176.117 -0.115 0.000 1.079 40 I CA -0.027 61.203 61.300 -0.116 0.000 1.398 40 I CB 0.683 38.653 38.000 -0.050 0.000 1.403 40 I HN 0.724 nan 8.210 nan 0.000 0.530 41 I N 4.644 125.171 120.570 -0.073 0.000 3.081 41 I HA 0.190 4.359 4.170 -0.000 0.000 0.274 41 I C 0.994 177.089 176.117 -0.035 0.000 1.178 41 I CA 0.593 61.859 61.300 -0.057 0.000 1.460 41 I CB -0.422 37.554 38.000 -0.040 0.000 1.137 41 I HN 0.589 nan 8.210 nan 0.000 0.443 42 A N -0.461 122.346 122.820 -0.022 0.000 2.572 42 A HA 0.704 5.024 4.320 -0.000 0.000 0.295 42 A C -0.580 177.009 177.584 0.009 0.000 1.072 42 A CA -0.320 51.712 52.037 -0.009 0.000 0.691 42 A CB 1.949 20.945 19.000 -0.008 0.000 1.291 42 A HN 0.016 nan 8.150 nan 0.000 0.404 43 T N 0.183 114.752 114.554 0.024 0.000 3.032 43 T HA 0.604 4.954 4.350 -0.000 0.000 0.312 43 T C 0.149 174.889 174.700 0.066 0.000 1.078 43 T CA 0.360 62.500 62.100 0.067 0.000 1.028 43 T CB 0.976 69.951 68.868 0.178 0.000 1.091 43 T HN 1.681 nan 8.240 nan 0.000 0.457 44 G N 1.927 110.752 108.800 0.042 0.000 2.562 44 G HA2 0.581 4.541 3.960 -0.000 0.000 0.275 44 G HA3 0.581 4.541 3.960 -0.000 0.000 0.275 44 G C -0.739 174.210 174.900 0.082 0.000 1.196 44 G CA -0.425 44.692 45.100 0.029 0.000 0.908 44 G HN 0.772 nan 8.290 nan 0.000 0.524 45 V N -0.095 119.860 119.914 0.067 0.000 2.417 45 V HA 0.433 4.553 4.120 -0.000 0.000 0.291 45 V C 0.035 176.151 176.094 0.036 0.000 1.024 45 V CA -0.852 61.519 62.300 0.119 0.000 0.861 45 V CB 0.929 32.800 31.823 0.081 0.000 0.985 45 V HN 0.916 nan 8.190 nan 0.000 0.436 46 C N 4.167 123.473 119.300 0.010 0.000 2.562 46 C HA 0.470 4.930 4.460 -0.000 0.000 0.332 46 C C 1.853 176.913 174.990 0.116 0.000 1.201 46 C CA -0.437 58.605 59.018 0.040 0.000 1.803 46 C CB 1.321 29.021 27.740 -0.067 0.000 2.328 46 C HN 1.003 nan 8.230 nan 0.000 0.500 47 H N 1.131 120.284 119.070 0.139 0.000 2.489 47 H HA -0.080 4.476 4.556 -0.000 0.000 0.293 47 H C 1.819 177.278 175.328 0.219 0.000 1.066 47 H CA 2.080 58.237 56.048 0.182 0.000 1.305 47 H CB 0.104 29.968 29.762 0.169 0.000 1.386 47 H HN 0.748 nan 8.280 nan 0.000 0.551 48 T N 0.376 115.105 114.554 0.292 0.000 2.951 48 T HA -0.087 4.263 4.350 -0.000 0.000 0.268 48 T C 1.458 176.336 174.700 0.298 0.000 1.073 48 T CA 0.814 63.046 62.100 0.220 0.000 1.134 48 T CB 0.002 68.856 68.868 -0.024 0.000 0.884 48 T HN 0.441 nan 8.240 nan 0.000 0.479 49 D N 1.415 121.966 120.400 0.251 0.000 2.149 49 D HA 0.012 4.652 4.640 -0.000 0.000 0.201 49 D C 2.127 178.421 176.300 -0.010 0.000 0.972 49 D CA 0.806 54.809 54.000 0.005 0.000 0.835 49 D CB -0.061 40.714 40.800 -0.041 0.000 0.966 49 D HN 0.371 nan 8.370 nan 0.000 0.476 50 L N -0.065 121.223 121.223 0.109 0.000 2.109 50 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 50 L C 2.594 179.605 176.870 0.236 0.000 1.086 50 L CA 0.770 55.686 54.840 0.127 0.000 0.760 50 L CB -0.753 41.486 42.059 0.302 0.000 0.910 50 L HN 0.007 nan 8.230 nan 0.000 0.437 51 Y N 0.840 121.278 120.300 0.231 0.000 2.165 51 Y HA -0.358 4.192 4.550 -0.000 0.000 0.286 51 Y C 2.878 178.917 175.900 0.232 0.000 1.155 51 Y CA 2.211 60.476 58.100 0.275 0.000 1.164 51 Y CB -0.331 38.296 38.460 0.278 0.000 0.978 51 Y HN 0.191 nan 8.280 nan 0.000 0.513 52 H N -0.596 118.563 119.070 0.149 0.000 2.357 52 H HA -0.131 4.425 4.556 -0.000 0.000 0.301 52 H C 2.004 177.332 175.328 0.001 0.000 1.082 52 H CA 1.936 58.002 56.048 0.031 0.000 1.342 52 H CB -0.446 29.263 29.762 -0.089 0.000 1.389 52 H HN 0.409 nan 8.280 nan 0.000 0.511 53 L N -0.715 120.427 121.223 -0.134 0.000 2.093 53 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 53 L C 1.221 177.842 176.870 -0.415 0.000 1.085 53 L CA 1.642 56.301 54.840 -0.302 0.000 0.755 53 L CB -0.566 41.135 42.059 -0.597 0.000 0.904 53 L HN 0.243 nan 8.230 nan 0.000 0.435 54 F N -0.704 119.226 119.950 -0.034 0.000 2.656 54 F HA 0.205 4.732 4.527 -0.001 0.000 0.291 54 F C 1.683 177.405 175.800 -0.129 0.000 1.122 54 F CA 0.137 58.097 58.000 -0.066 0.000 1.427 54 F CB -0.090 38.895 39.000 -0.026 0.000 1.125 54 F HN 0.117 nan 8.300 nan 0.000 0.583 55 E N -0.105 120.031 120.200 -0.106 0.000 2.789 55 E HA 0.259 4.608 4.350 -0.000 0.000 0.208 55 E C 0.509 176.983 176.600 -0.211 0.000 0.988 55 E CA -0.202 56.053 56.400 -0.242 0.000 1.092 55 E CB 0.696 30.067 29.700 -0.547 0.000 1.066 55 E HN 0.175 nan 8.360 nan 0.000 0.465 56 G N 1.247 109.982 108.800 -0.109 0.000 2.468 56 G HA2 0.145 4.105 3.960 -0.000 0.000 0.320 56 G HA3 0.145 4.105 3.960 -0.000 0.000 0.320 56 G C 0.358 175.294 174.900 0.059 0.000 1.137 56 G CA -0.423 44.682 45.100 0.008 0.000 0.984 56 G HN -0.028 nan 8.290 nan 0.000 0.462 57 K N 0.985 121.426 120.400 0.067 0.000 2.487 57 K HA -0.016 4.303 4.320 -0.000 0.000 0.192 57 K C 0.343 176.971 176.600 0.048 0.000 1.027 57 K CA -0.002 56.304 56.287 0.033 0.000 1.054 57 K CB 0.104 32.617 32.500 0.022 0.000 0.824 57 K HN 0.682 nan 8.250 nan 0.000 0.510 58 H N 0.855 120.000 119.070 0.125 0.000 3.216 58 H HA 0.035 4.590 4.556 -0.000 0.000 0.263 58 H C 0.679 176.133 175.328 0.211 0.000 1.601 58 H CA -0.243 55.896 56.048 0.152 0.000 1.509 58 H CB 0.292 30.147 29.762 0.155 0.000 1.759 58 H HN -0.144 nan 8.280 nan 0.000 0.533 59 K N 1.079 121.571 120.400 0.154 0.000 2.163 59 K HA -0.190 4.130 4.320 -0.000 0.000 0.210 59 K C 0.877 177.685 176.600 0.347 0.000 1.048 59 K CA 1.587 58.005 56.287 0.218 0.000 0.928 59 K CB 0.012 32.559 32.500 0.077 0.000 0.716 59 K HN 0.634 nan 8.250 nan 0.000 0.459 60 D N -1.138 119.529 120.400 0.445 0.000 2.352 60 D HA 0.017 4.657 4.640 -0.000 0.000 0.232 60 D C 1.211 177.643 176.300 0.219 0.000 1.055 60 D CA 0.662 54.862 54.000 0.334 0.000 0.891 60 D CB -0.026 40.968 40.800 0.323 0.000 0.897 60 D HN 0.361 nan 8.370 nan 0.000 0.529 61 G N -0.867 108.094 108.800 0.268 0.000 3.088 61 G HA2 0.181 4.141 3.960 -0.000 0.000 0.217 61 G HA3 0.181 4.141 3.960 -0.000 0.000 0.217 61 G C 0.053 174.796 174.900 -0.261 0.000 1.159 61 G CA -0.161 44.959 45.100 0.034 0.000 0.760 61 G HN 0.042 nan 8.290 nan 0.000 0.550 62 F N -0.673 119.350 119.950 0.122 0.000 2.599 62 F HA 0.491 5.018 4.527 -0.000 0.000 0.311 62 F C -2.434 173.410 175.800 0.073 0.000 1.076 62 F CA -2.500 55.544 58.000 0.073 0.000 0.937 62 F CB 1.991 41.020 39.000 0.050 0.000 1.282 62 F HN -0.241 nan 8.300 nan 0.000 0.460 63 P HA 0.373 nan 4.420 nan 0.000 0.272 63 P C -1.394 175.877 177.300 -0.047 0.000 1.223 63 P CA -0.279 62.886 63.100 0.108 0.000 0.784 63 P CB 1.309 32.949 31.700 -0.101 0.000 0.923 64 V N 2.774 122.622 119.914 -0.109 0.000 3.048 64 V HA 0.321 4.441 4.120 -0.000 0.000 0.303 64 V C -1.341 174.655 176.094 -0.164 0.000 1.214 64 V CA -0.798 61.399 62.300 -0.172 0.000 0.984 64 V CB 2.597 34.244 31.823 -0.293 0.000 1.054 64 V HN 0.122 nan 8.190 nan 0.000 0.430 65 V N 7.458 127.312 119.914 -0.101 0.000 2.333 65 V HA 0.429 4.548 4.120 -0.000 0.000 0.274 65 V C 0.511 176.509 176.094 -0.161 0.000 1.028 65 V CA -0.231 62.046 62.300 -0.039 0.000 0.851 65 V CB 0.930 32.850 31.823 0.161 0.000 1.000 65 V HN 0.751 nan 8.190 nan 0.000 0.456 66 L N 3.880 124.894 121.223 -0.348 0.000 2.598 66 L HA 0.784 5.124 4.340 -0.000 0.000 0.202 66 L C 0.925 177.198 176.870 -0.994 0.000 1.190 66 L CA 0.071 54.469 54.840 -0.736 0.000 0.869 66 L CB 0.008 41.540 42.059 -0.878 0.000 1.529 66 L HN 0.805 nan 8.230 nan 0.000 0.520 67 G N 0.126 108.279 108.800 -1.077 0.000 3.055 67 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.686 67 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.686 67 G C -0.577 174.228 174.900 -0.158 0.000 1.087 67 G CA -0.149 44.399 45.100 -0.920 0.000 0.779 67 G HN 1.224 nan 8.290 nan 0.000 0.599 68 H N 0.257 119.213 119.070 -0.190 0.000 3.411 68 H HA 0.396 4.952 4.556 -0.000 0.000 0.232 68 H C -0.248 175.062 175.328 -0.029 0.000 1.322 68 H CA 0.102 56.083 56.048 -0.111 0.000 1.077 68 H CB 0.215 29.857 29.762 -0.199 0.000 2.741 68 H HN 0.553 nan 8.280 nan 0.000 0.596 69 E N 0.947 121.047 120.200 -0.166 0.000 4.139 69 E HA 0.365 4.715 4.350 -0.000 0.000 0.227 69 E C -0.315 176.268 176.600 -0.029 0.000 1.187 69 E CA -0.360 55.977 56.400 -0.105 0.000 1.324 69 E CB 1.098 30.695 29.700 -0.171 0.000 1.207 69 E HN 0.613 nan 8.360 nan 0.000 0.422 70 G N 0.186 108.983 108.800 -0.005 0.000 2.600 70 G HA2 0.825 4.785 3.960 -0.000 0.000 0.303 70 G HA3 0.825 4.785 3.960 -0.000 0.000 0.303 70 G C -1.184 173.713 174.900 -0.005 0.000 1.253 70 G CA -0.507 44.596 45.100 0.005 0.000 0.974 70 G HN 0.210 nan 8.290 nan 0.000 0.483 71 A N -0.981 121.834 122.820 -0.009 0.000 2.475 71 A HA 1.007 5.327 4.320 -0.000 0.000 0.301 71 A C 0.098 177.671 177.584 -0.018 0.000 1.059 71 A CA 0.107 52.137 52.037 -0.012 0.000 0.710 71 A CB 1.866 20.859 19.000 -0.012 0.000 1.288 71 A HN 2.022 nan 8.150 nan 0.000 0.408 72 G N -0.309 108.480 108.800 -0.018 0.000 2.664 72 G HA2 0.607 4.567 3.960 -0.000 0.000 0.303 72 G HA3 0.607 4.567 3.960 -0.000 0.000 0.303 72 G C -1.661 173.231 174.900 -0.014 0.000 1.243 72 G CA -0.487 44.596 45.100 -0.030 0.000 0.826 72 G HN 0.792 nan 8.290 nan 0.000 0.498 73 I N 0.482 121.039 120.570 -0.020 0.000 2.533 73 I HA 0.337 4.507 4.170 -0.000 0.000 0.290 73 I C -0.185 175.943 176.117 0.018 0.000 1.056 73 I CA -1.030 60.274 61.300 0.007 0.000 1.057 73 I CB 2.466 40.471 38.000 0.008 0.000 1.240 73 I HN 0.175 nan 8.210 nan 0.000 0.423 74 V N 5.779 125.718 119.914 0.040 0.000 2.493 74 V HA -0.033 4.087 4.120 -0.000 0.000 0.292 74 V C 1.273 177.409 176.094 0.070 0.000 1.016 74 V CA 0.418 62.747 62.300 0.047 0.000 1.097 74 V CB 0.650 32.520 31.823 0.078 0.000 0.947 74 V HN 0.854 nan 8.190 nan 0.000 0.479 75 E N 3.284 123.539 120.200 0.091 0.000 2.166 75 E HA 0.032 4.382 4.350 -0.000 0.000 0.192 75 E C 0.643 177.295 176.600 0.086 0.000 0.967 75 E CA 1.035 57.508 56.400 0.122 0.000 0.840 75 E CB 0.802 30.640 29.700 0.231 0.000 0.795 75 E HN 0.876 nan 8.360 nan 0.000 0.470 76 S N -0.973 114.771 115.700 0.072 0.000 2.615 76 S HA 0.474 4.944 4.470 -0.000 0.000 0.268 76 S C -0.714 173.917 174.600 0.051 0.000 1.146 76 S CA -0.438 57.796 58.200 0.057 0.000 0.818 76 S CB 1.466 64.693 63.200 0.044 0.000 1.111 76 S HN 0.183 nan 8.310 nan 0.000 0.465 77 V N -1.005 118.940 119.914 0.052 0.000 2.914 77 V HA 1.018 5.138 4.120 -0.000 0.000 0.314 77 V C 0.445 176.568 176.094 0.048 0.000 1.084 77 V CA -0.015 62.318 62.300 0.054 0.000 0.963 77 V CB 1.184 33.060 31.823 0.088 0.000 1.025 77 V HN 1.547 nan 8.190 nan 0.000 0.432 78 G N 1.762 110.592 108.800 0.049 0.000 2.580 78 G HA2 0.625 4.585 3.960 -0.000 0.000 0.278 78 G HA3 0.625 4.585 3.960 -0.000 0.000 0.278 78 G C -2.836 172.089 174.900 0.041 0.000 1.212 78 G CA -1.746 43.382 45.100 0.046 0.000 0.939 78 G HN 0.728 nan 8.290 nan 0.000 0.513 79 P HA 0.180 nan 4.420 nan 0.000 0.264 79 P C 0.840 178.159 177.300 0.032 0.000 1.183 79 P CA 1.652 64.766 63.100 0.023 0.000 0.763 79 P CB 0.860 32.566 31.700 0.009 0.000 0.807 80 G N 1.379 110.197 108.800 0.030 0.000 2.148 80 G HA2 -0.201 3.758 3.960 -0.000 0.000 0.254 80 G HA3 -0.201 3.758 3.960 -0.000 0.000 0.254 80 G C -0.042 174.886 174.900 0.046 0.000 0.981 80 G CA -0.218 44.902 45.100 0.033 0.000 0.670 80 G HN 0.514 nan 8.290 nan 0.000 0.528 81 V N 1.666 121.615 119.914 0.059 0.000 2.333 81 V HA 0.570 4.689 4.120 -0.000 0.000 0.274 81 V C 1.282 177.425 176.094 0.081 0.000 1.028 81 V CA 0.619 62.973 62.300 0.089 0.000 0.851 81 V CB 1.111 33.001 31.823 0.112 0.000 1.000 81 V HN 0.627 nan 8.190 nan 0.000 0.456 82 T N -0.472 114.120 114.554 0.063 0.000 2.969 82 T HA 0.072 4.422 4.350 -0.000 0.000 0.250 82 T C 1.340 176.041 174.700 0.001 0.000 1.021 82 T CA 0.355 62.474 62.100 0.032 0.000 1.003 82 T CB 0.255 69.129 68.868 0.011 0.000 1.040 82 T HN 0.522 nan 8.240 nan 0.000 0.492 83 E N 0.204 120.397 120.200 -0.013 0.000 2.077 83 E HA -0.002 4.348 4.350 -0.000 0.000 0.193 83 E C -0.472 175.910 176.600 -0.362 0.000 0.989 83 E CA 0.862 57.144 56.400 -0.197 0.000 0.800 83 E CB 0.044 29.616 29.700 -0.214 0.000 0.746 83 E HN 0.539 nan 8.360 nan 0.000 0.452 84 F N -0.383 119.573 119.950 0.010 0.000 2.557 84 F HA 0.354 4.881 4.527 -0.000 0.000 0.336 84 F C -0.096 175.713 175.800 0.015 0.000 1.058 84 F CA -0.714 57.293 58.000 0.013 0.000 0.988 84 F CB 1.619 40.627 39.000 0.014 0.000 1.275 84 F HN -0.089 nan 8.300 nan 0.000 0.488 85 Q N -0.146 119.789 119.800 0.224 0.000 2.472 85 Q HA 0.483 4.823 4.340 -0.000 0.000 0.281 85 Q C -3.246 172.824 176.000 0.117 0.000 0.997 85 Q CA -2.427 53.454 55.803 0.130 0.000 0.828 85 Q CB 2.027 30.811 28.738 0.075 0.000 1.443 85 Q HN 0.159 nan 8.270 nan 0.000 0.390 86 P HA 0.017 nan 4.420 nan 0.000 0.263 86 P C 0.654 177.995 177.300 0.068 0.000 1.175 86 P CA 2.371 65.515 63.100 0.074 0.000 0.761 86 P CB 0.375 32.111 31.700 0.060 0.000 0.794 87 G N 1.761 110.600 108.800 0.065 0.000 2.254 87 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.225 87 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.225 87 G C -0.025 174.910 174.900 0.059 0.000 1.003 87 G CA -0.366 44.767 45.100 0.055 0.000 0.622 87 G HN 0.560 nan 8.290 nan 0.000 0.507 88 E N 1.446 121.695 120.200 0.082 0.000 2.373 88 E HA 0.417 4.767 4.350 -0.000 0.000 0.267 88 E C 0.144 176.799 176.600 0.092 0.000 1.032 88 E CA -0.080 56.376 56.400 0.094 0.000 0.889 88 E CB 0.743 30.527 29.700 0.139 0.000 0.984 88 E HN 0.309 nan 8.360 nan 0.000 0.425 89 K N 1.696 122.141 120.400 0.076 0.000 2.249 89 K HA 0.313 4.633 4.320 -0.000 0.000 0.280 89 K C -0.227 176.423 176.600 0.083 0.000 1.033 89 K CA -0.384 55.940 56.287 0.061 0.000 0.946 89 K CB 0.992 33.520 32.500 0.046 0.000 1.005 89 K HN 0.330 nan 8.250 nan 0.000 0.469 90 V N -0.457 119.492 119.914 0.058 0.000 3.181 90 V HA 0.628 4.748 4.120 -0.000 0.000 0.308 90 V C -0.823 175.282 176.094 0.018 0.000 1.214 90 V CA -1.130 61.206 62.300 0.059 0.000 1.053 90 V CB 1.914 33.756 31.823 0.032 0.000 1.069 90 V HN 0.666 nan 8.190 nan 0.000 0.441 91 I N 2.820 123.399 120.570 0.015 0.000 2.497 91 I HA 0.451 4.621 4.170 -0.000 0.000 0.284 91 I C -2.655 173.449 176.117 -0.022 0.000 1.060 91 I CA -1.847 59.452 61.300 -0.002 0.000 1.071 91 I CB 3.045 41.050 38.000 0.009 0.000 1.216 91 I HN 0.577 nan 8.210 nan 0.000 0.442 92 P HA 0.258 nan 4.420 nan 0.000 0.272 92 P C -1.180 176.083 177.300 -0.062 0.000 1.223 92 P CA -0.120 62.945 63.100 -0.058 0.000 0.784 92 P CB 1.126 32.795 31.700 -0.051 0.000 0.923 93 L N 2.438 123.595 121.223 -0.110 0.000 2.362 93 L HA 0.425 4.765 4.340 -0.000 0.000 0.271 93 L C 1.424 178.184 176.870 -0.183 0.000 1.002 93 L CA -0.857 53.840 54.840 -0.238 0.000 0.818 93 L CB 1.318 43.174 42.059 -0.338 0.000 1.298 93 L HN 0.340 nan 8.230 nan 0.000 0.420 94 F N 1.283 121.073 119.950 -0.268 0.000 2.811 94 F HA 0.385 4.911 4.527 -0.000 0.000 0.301 94 F C 0.394 176.156 175.800 -0.063 0.000 1.151 94 F CA -0.659 57.257 58.000 -0.141 0.000 1.412 94 F CB -0.421 38.467 39.000 -0.188 0.000 1.113 94 F HN 0.169 nan 8.300 nan 0.000 0.579 95 I N -1.938 118.311 120.570 -0.535 0.000 2.892 95 I HA 0.708 4.877 4.170 -0.000 0.000 0.306 95 I C -0.402 175.541 176.117 -0.290 0.000 1.078 95 I CA -1.162 59.885 61.300 -0.421 0.000 1.032 95 I CB 2.096 39.774 38.000 -0.538 0.000 1.229 95 I HN -0.203 nan 8.210 nan 0.000 0.435 96 S N 1.990 117.560 115.700 -0.217 0.000 2.651 96 S HA 0.426 4.896 4.470 -0.000 0.000 0.291 96 S C -0.510 174.033 174.600 -0.095 0.000 1.141 96 S CA -0.598 57.520 58.200 -0.137 0.000 1.027 96 S CB 1.465 64.596 63.200 -0.114 0.000 1.043 96 S HN 0.719 nan 8.310 nan 0.000 0.530 97 Q N 0.844 120.614 119.800 -0.049 0.000 3.244 97 Q HA 0.212 4.551 4.340 -0.000 0.000 0.249 97 Q C 0.638 176.639 176.000 0.002 0.000 0.951 97 Q CA -0.396 55.399 55.803 -0.012 0.000 0.740 97 Q CB -0.011 28.731 28.738 0.007 0.000 1.334 97 Q HN 1.019 nan 8.270 nan 0.000 0.448 98 C N 0.195 119.494 119.300 -0.001 0.000 2.419 98 C HA 0.203 4.662 4.460 -0.000 0.000 0.281 98 C C 1.675 176.672 174.990 0.012 0.000 1.336 98 C CA 0.921 59.942 59.018 0.005 0.000 1.770 98 C CB -1.175 26.566 27.740 0.002 0.000 1.929 98 C HN 1.009 nan 8.230 nan 0.000 0.509 99 G N 0.478 109.288 108.800 0.016 0.000 2.162 99 G HA2 -0.253 3.706 3.960 -0.000 0.000 0.260 99 G HA3 -0.253 3.706 3.960 -0.000 0.000 0.260 99 G C 0.519 175.424 174.900 0.008 0.000 0.976 99 G CA 0.761 45.871 45.100 0.016 0.000 0.655 99 G HN 0.736 nan 8.290 nan 0.000 0.533 100 E N -1.151 119.052 120.200 0.005 0.000 2.571 100 E HA 0.172 4.521 4.350 -0.000 0.000 0.222 100 E C 1.707 178.297 176.600 -0.017 0.000 0.904 100 E CA 0.231 56.627 56.400 -0.006 0.000 1.157 100 E CB 0.431 30.128 29.700 -0.005 0.000 1.158 100 E HN 0.771 nan 8.360 nan 0.000 0.540 101 C N 1.163 120.458 119.300 -0.009 0.000 2.480 101 C HA 0.336 4.796 4.460 -0.000 0.000 0.344 101 C C 2.162 177.097 174.990 -0.092 0.000 1.380 101 C CA -0.593 58.403 59.018 -0.037 0.000 2.386 101 C CB 1.014 28.763 27.740 0.015 0.000 2.210 101 C HN 0.417 nan 8.230 nan 0.000 0.640 102 R N -0.035 120.330 120.500 -0.225 0.000 2.120 102 R HA -0.088 4.251 4.340 -0.000 0.000 0.234 102 R C 1.458 177.553 176.300 -0.342 0.000 1.123 102 R CA 1.891 57.784 56.100 -0.345 0.000 0.975 102 R CB -0.700 29.271 30.300 -0.548 0.000 0.866 102 R HN 0.717 nan 8.270 nan 0.000 0.446 103 F N 1.157 121.092 119.950 -0.024 0.000 2.234 103 F HA 0.045 4.572 4.527 -0.000 0.000 0.296 103 F C 2.596 178.384 175.800 -0.020 0.000 1.089 103 F CA 0.232 58.217 58.000 -0.025 0.000 1.343 103 F CB -0.706 38.273 39.000 -0.036 0.000 1.040 103 F HN 0.019 nan 8.300 nan 0.000 0.498 104 C N -0.179 119.202 119.300 0.135 0.000 2.435 104 C HA -0.154 4.305 4.460 -0.000 0.000 0.279 104 C C 2.496 177.512 174.990 0.044 0.000 1.321 104 C CA 0.910 59.974 59.018 0.076 0.000 1.752 104 C CB -1.203 26.566 27.740 0.049 0.000 1.959 104 C HN 0.493 nan 8.230 nan 0.000 0.500 105 Q N 0.045 119.855 119.800 0.016 0.000 2.451 105 Q HA 0.032 4.372 4.340 -0.000 0.000 0.206 105 Q C 0.871 176.874 176.000 0.006 0.000 0.947 105 Q CA 0.181 55.985 55.803 0.002 0.000 0.937 105 Q CB 0.104 28.829 28.738 -0.021 0.000 1.025 105 Q HN 0.517 nan 8.270 nan 0.000 0.511 106 S N 1.523 117.236 115.700 0.021 0.000 2.457 106 S HA 0.223 4.693 4.470 -0.000 0.000 0.289 106 S C -1.838 172.786 174.600 0.040 0.000 1.163 106 S CA -1.877 56.339 58.200 0.027 0.000 1.078 106 S CB 0.938 64.161 63.200 0.039 0.000 0.987 106 S HN -0.007 nan 8.310 nan 0.000 0.482 107 P HA 0.045 nan 4.420 nan 0.000 0.242 107 P C 0.237 177.552 177.300 0.025 0.000 1.197 107 P CA 0.516 63.631 63.100 0.026 0.000 0.765 107 P CB 0.058 31.768 31.700 0.017 0.000 0.936 108 K N -0.952 119.469 120.400 0.034 0.000 2.444 108 K HA 0.138 4.457 4.320 -0.000 0.000 0.193 108 K C 0.768 177.389 176.600 0.036 0.000 1.024 108 K CA 0.343 56.649 56.287 0.033 0.000 1.077 108 K CB 0.319 32.844 32.500 0.042 0.000 0.833 108 K HN 0.086 nan 8.250 nan 0.000 0.517 109 T N 0.139 114.721 114.554 0.047 0.000 2.749 109 T HA 0.107 4.457 4.350 -0.000 0.000 0.310 109 T C -1.285 173.439 174.700 0.040 0.000 1.496 109 T CA -0.856 61.267 62.100 0.038 0.000 1.006 109 T CB 1.049 69.953 68.868 0.060 0.000 1.457 109 T HN 0.194 nan 8.240 nan 0.000 0.497 110 N N 1.458 120.168 118.700 0.017 0.000 2.234 110 N HA 0.148 4.888 4.740 -0.000 0.000 0.227 110 N C 0.129 175.627 175.510 -0.020 0.000 1.151 110 N CA -0.405 52.663 53.050 0.029 0.000 0.865 110 N CB 0.321 38.849 38.487 0.069 0.000 1.066 110 N HN 0.429 nan 8.380 nan 0.000 0.515 111 Q N 0.360 120.123 119.800 -0.061 0.000 2.443 111 Q HA 0.249 4.589 4.340 -0.000 0.000 0.232 111 Q C -0.550 175.404 176.000 -0.075 0.000 1.026 111 Q CA 0.014 55.704 55.803 -0.188 0.000 0.924 111 Q CB 1.626 30.078 28.738 -0.477 0.000 1.256 111 Q HN 0.370 nan 8.270 nan 0.000 0.519 112 C N -0.504 118.714 119.300 -0.137 0.000 3.311 112 C HA 0.398 4.858 4.460 -0.000 0.000 0.325 112 C C 1.132 176.117 174.990 -0.009 0.000 1.352 112 C CA -0.304 58.721 59.018 0.013 0.000 1.308 112 C CB 0.875 28.591 27.740 -0.039 0.000 1.619 112 C HN 0.720 nan 8.230 nan 0.000 0.469 113 V N 0.617 120.580 119.914 0.082 0.000 3.354 113 V HA 0.296 4.415 4.120 -0.000 0.000 0.258 113 V C 0.818 176.888 176.094 -0.040 0.000 1.159 113 V CA 0.926 63.254 62.300 0.046 0.000 1.125 113 V CB -0.727 31.152 31.823 0.093 0.000 0.774 113 V HN 0.700 nan 8.190 nan 0.000 0.464 114 K N 1.439 121.804 120.400 -0.058 0.000 2.148 114 K HA 0.722 5.042 4.320 -0.000 0.000 0.239 114 K C 0.447 176.956 176.600 -0.152 0.000 1.018 114 K CA 0.573 56.811 56.287 -0.083 0.000 0.923 114 K CB 0.795 33.262 32.500 -0.055 0.000 1.117 114 K HN 0.773 nan 8.250 nan 0.000 0.477 115 G N 0.501 109.217 108.800 -0.140 0.000 2.662 115 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.686 115 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.686 115 G C 0.640 175.396 174.900 -0.241 0.000 1.271 115 G CA -0.202 44.783 45.100 -0.192 0.000 0.816 115 G HN 0.690 nan 8.290 nan 0.000 0.608 116 W N -0.282 120.932 121.300 -0.144 0.000 2.350 116 W HA 0.037 4.697 4.660 -0.000 0.000 0.289 116 W C 1.913 178.344 176.519 -0.147 0.000 1.215 116 W CA 2.210 59.462 57.345 -0.156 0.000 1.236 116 W CB -1.465 27.873 29.460 -0.203 0.000 1.130 116 W HN 1.390 nan 8.180 nan 0.000 0.541 117 A N 1.532 123.478 122.820 -1.456 0.000 2.070 117 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 117 A C 1.915 179.179 177.584 -0.534 0.000 1.159 117 A CA 1.614 52.895 52.037 -1.260 0.000 0.656 117 A CB -0.754 17.441 19.000 -1.341 0.000 0.800 117 A HN 0.448 nan 8.150 nan 0.000 0.453 118 N N -1.520 116.950 118.700 -0.384 0.000 2.348 118 N HA -0.016 4.724 4.740 -0.000 0.000 0.183 118 N C 1.593 177.026 175.510 -0.127 0.000 1.094 118 N CA 0.749 53.670 53.050 -0.216 0.000 0.885 118 N CB 0.227 38.604 38.487 -0.182 0.000 1.065 118 N HN 0.777 nan 8.380 nan 0.000 0.472 119 E N 1.172 121.305 120.200 -0.112 0.000 2.099 119 E HA 0.009 4.359 4.350 -0.000 0.000 0.191 119 E C -0.336 176.253 176.600 -0.018 0.000 0.962 119 E CA 0.657 57.028 56.400 -0.049 0.000 0.826 119 E CB 0.372 30.053 29.700 -0.032 0.000 0.788 119 E HN 0.114 nan 8.360 nan 0.000 0.461 120 S N 0.458 116.166 115.700 0.014 0.000 2.680 120 S HA 0.256 4.726 4.470 -0.000 0.000 0.140 120 S C -2.156 172.526 174.600 0.137 0.000 1.357 120 S CA -0.968 57.259 58.200 0.045 0.000 1.201 120 S CB 1.372 64.588 63.200 0.027 0.000 1.547 120 S HN 0.104 nan 8.310 nan 0.000 0.411 121 P HA -0.026 nan 4.420 nan 0.000 0.225 121 P C 0.758 178.157 177.300 0.165 0.000 1.156 121 P CA 0.790 64.014 63.100 0.206 0.000 0.787 121 P CB 0.215 31.924 31.700 0.016 0.000 0.802 122 D N 0.716 121.145 120.400 0.049 0.000 2.117 122 D HA -0.120 4.520 4.640 -0.000 0.000 0.197 122 D C 1.801 178.003 176.300 -0.164 0.000 0.987 122 D CA 1.396 55.380 54.000 -0.026 0.000 0.829 122 D CB -0.324 40.426 40.800 -0.083 0.000 0.961 122 D HN 0.072 nan 8.370 nan 0.000 0.460 123 V N -2.739 117.043 119.914 -0.220 0.000 3.608 123 V HA 0.221 4.341 4.120 -0.000 0.000 0.269 123 V C 1.284 177.271 176.094 -0.178 0.000 1.245 123 V CA 0.181 62.347 62.300 -0.224 0.000 1.138 123 V CB -0.410 31.277 31.823 -0.227 0.000 0.841 123 V HN 0.178 nan 8.190 nan 0.000 0.451 124 M N 1.076 120.558 119.600 -0.196 0.000 2.751 124 M HA -0.166 4.314 4.480 -0.000 0.000 0.199 124 M C 0.176 175.817 176.300 -1.099 0.000 0.550 124 M CA 1.146 56.051 55.300 -0.658 0.000 0.640 124 M CB -2.100 30.126 32.600 -0.622 0.000 2.351 124 M HN 1.025 nan 8.290 nan 0.000 0.613 125 S N -1.585 113.743 115.700 -0.620 0.000 2.543 125 S HA 0.773 5.242 4.470 -0.000 0.000 0.274 125 S C -2.999 171.476 174.600 -0.209 0.000 1.149 125 S CA -1.275 56.584 58.200 -0.569 0.000 0.866 125 S CB 2.770 65.708 63.200 -0.437 0.000 1.111 125 S HN 0.073 nan 8.310 nan 0.000 0.457 126 P HA 0.209 nan 4.420 nan 0.000 0.270 126 P C 0.142 177.396 177.300 -0.078 0.000 1.223 126 P CA -0.281 62.796 63.100 -0.038 0.000 0.785 126 P CB 0.684 32.350 31.700 -0.056 0.000 0.923 127 K N 0.418 120.790 120.400 -0.047 0.000 2.026 127 K HA -0.076 4.244 4.320 -0.000 0.000 0.208 127 K C 0.893 177.454 176.600 -0.065 0.000 1.048 127 K CA 1.214 57.473 56.287 -0.047 0.000 0.929 127 K CB -0.023 32.462 32.500 -0.027 0.000 0.713 127 K HN 0.552 nan 8.250 nan 0.000 0.439 128 E N 1.082 121.233 120.200 -0.080 0.000 2.338 128 E HA 0.040 4.390 4.350 -0.000 0.000 0.272 128 E C -0.486 176.023 176.600 -0.152 0.000 1.029 128 E CA 0.202 56.539 56.400 -0.105 0.000 0.872 128 E CB 1.481 31.108 29.700 -0.121 0.000 1.015 128 E HN -0.038 nan 8.360 nan 0.000 0.417 129 T N 1.854 116.319 114.554 -0.148 0.000 2.900 129 T HA 0.331 4.680 4.350 -0.000 0.000 0.295 129 T C 0.107 174.709 174.700 -0.165 0.000 1.044 129 T CA -0.751 61.230 62.100 -0.198 0.000 0.995 129 T CB 0.870 69.641 68.868 -0.160 0.000 1.072 129 T HN 0.296 nan 8.240 nan 0.000 0.473 130 R N 2.276 122.644 120.500 -0.220 0.000 2.468 130 R HA 0.264 4.604 4.340 -0.000 0.000 0.280 130 R C -0.709 175.742 176.300 0.251 0.000 0.963 130 R CA -0.040 56.032 56.100 -0.047 0.000 1.083 130 R CB -0.015 30.241 30.300 -0.073 0.000 1.200 130 R HN 0.405 nan 8.270 nan 0.000 0.541 131 F N 0.150 120.075 119.950 -0.042 0.000 2.480 131 F HA 0.525 5.052 4.527 -0.000 0.000 0.329 131 F C 0.574 176.358 175.800 -0.027 0.000 1.091 131 F CA -1.182 56.797 58.000 -0.036 0.000 0.972 131 F CB 1.972 40.936 39.000 -0.060 0.000 1.150 131 F HN -0.325 nan 8.300 nan 0.000 0.467 132 T N 1.377 116.028 114.554 0.162 0.000 2.900 132 T HA 0.503 4.853 4.350 -0.000 0.000 0.303 132 T C -1.716 173.021 174.700 0.062 0.000 1.142 132 T CA -0.591 61.569 62.100 0.099 0.000 1.007 132 T CB 2.127 71.047 68.868 0.087 0.000 1.156 132 T HN 0.756 nan 8.240 nan 0.000 0.490 133 C N 3.266 122.626 119.300 0.101 0.000 2.832 133 C HA 0.527 4.987 4.460 -0.000 0.000 0.383 133 C C -0.510 174.628 174.990 0.246 0.000 1.046 133 C CA -0.657 58.446 59.018 0.141 0.000 1.242 133 C CB -0.436 27.371 27.740 0.112 0.000 1.693 133 C HN 1.065 nan 8.230 nan 0.000 0.497 134 K N 4.225 124.729 120.400 0.173 0.000 3.077 134 K HA -0.197 4.123 4.320 -0.000 0.000 0.264 134 K C 1.060 177.733 176.600 0.121 0.000 1.008 134 K CA 1.150 57.520 56.287 0.137 0.000 0.740 134 K CB -1.550 31.035 32.500 0.141 0.000 1.273 134 K HN 1.997 nan 8.250 nan 0.000 0.477 135 G N -0.330 108.533 108.800 0.105 0.000 2.189 135 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.267 135 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.267 135 G C -0.041 174.926 174.900 0.111 0.000 0.975 135 G CA 0.670 45.823 45.100 0.088 0.000 0.644 135 G HN 0.268 nan 8.290 nan 0.000 0.537 136 R N 0.260 120.860 120.500 0.167 0.000 2.604 136 R HA 0.487 4.827 4.340 -0.000 0.000 0.287 136 R C 0.196 176.586 176.300 0.150 0.000 0.970 136 R CA -0.781 55.433 56.100 0.190 0.000 0.946 136 R CB 1.003 31.505 30.300 0.337 0.000 1.127 136 R HN 0.172 nan 8.270 nan 0.000 0.473 137 K N 1.554 122.024 120.400 0.116 0.000 2.276 137 K HA 0.281 4.601 4.320 -0.000 0.000 0.283 137 K C -0.429 176.207 176.600 0.059 0.000 1.044 137 K CA -0.362 55.974 56.287 0.081 0.000 0.944 137 K CB 1.264 33.798 32.500 0.058 0.000 1.012 137 K HN 0.209 nan 8.250 nan 0.000 0.472 138 V N 5.360 125.298 119.914 0.041 0.000 2.444 138 V HA 0.261 4.380 4.120 -0.000 0.000 0.294 138 V C 0.272 176.363 176.094 -0.006 0.000 1.022 138 V CA -0.914 61.376 62.300 -0.016 0.000 0.850 138 V CB 1.336 33.118 31.823 -0.068 0.000 0.992 138 V HN 0.628 nan 8.190 nan 0.000 0.426 139 L N 4.006 125.189 121.223 -0.067 0.000 2.482 139 L HA 0.263 4.603 4.340 -0.000 0.000 0.273 139 L C 0.520 177.278 176.870 -0.187 0.000 1.228 139 L CA 0.100 54.860 54.840 -0.134 0.000 0.827 139 L CB 0.190 42.165 42.059 -0.141 0.000 1.099 139 L HN 0.625 nan 8.230 nan 0.000 0.494 140 Q N 1.972 121.598 119.800 -0.289 0.000 2.466 140 Q HA 0.252 4.592 4.340 -0.000 0.000 0.242 140 Q C -0.831 174.983 176.000 -0.311 0.000 1.046 140 Q CA -0.622 54.972 55.803 -0.349 0.000 0.841 140 Q CB 1.045 29.473 28.738 -0.517 0.000 1.193 140 Q HN 0.333 nan 8.270 nan 0.000 0.508 141 F N 3.816 123.489 119.950 -0.463 0.000 2.580 141 F HA -0.156 4.370 4.527 -0.000 0.000 0.398 141 F C 0.940 176.350 175.800 -0.650 0.000 1.023 141 F CA 0.643 58.276 58.000 -0.611 0.000 1.188 141 F CB 0.182 38.838 39.000 -0.573 0.000 1.005 141 F HN 0.649 nan 8.300 nan 0.000 0.546 142 L N 5.505 125.897 121.223 -1.385 0.000 4.137 142 L HA -0.340 3.999 4.340 -0.000 0.000 0.421 142 L C 1.365 177.834 176.870 -0.668 0.000 1.162 142 L CA 0.672 54.626 54.840 -1.476 0.000 0.978 142 L CB -2.373 38.982 42.059 -1.173 0.000 1.957 142 L HN 1.156 nan 8.230 nan 0.000 0.978 143 G N -0.923 107.573 108.800 -0.507 0.000 2.175 143 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.265 143 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.265 143 G C 0.744 175.525 174.900 -0.198 0.000 0.979 143 G CA 1.555 46.505 45.100 -0.251 0.000 0.663 143 G HN 0.659 nan 8.290 nan 0.000 0.533 144 T N -2.818 111.614 114.554 -0.203 0.000 3.085 144 T HA 0.359 4.709 4.350 -0.000 0.000 0.241 144 T C 1.556 176.201 174.700 -0.091 0.000 0.988 144 T CA 1.192 63.224 62.100 -0.115 0.000 1.117 144 T CB -0.374 68.465 68.868 -0.048 0.000 0.978 144 T HN 2.134 nan 8.240 nan 0.000 0.454 145 S N 2.344 117.984 115.700 -0.100 0.000 3.310 145 S HA -0.199 4.271 4.470 -0.000 0.000 0.381 145 S C 0.716 175.346 174.600 0.049 0.000 0.908 145 S CA 0.656 58.835 58.200 -0.035 0.000 1.333 145 S CB -2.795 60.399 63.200 -0.009 0.000 0.931 145 S HN 1.161 nan 8.310 nan 0.000 0.570 146 T N -2.395 112.151 114.554 -0.013 0.000 3.129 146 T HA 0.284 4.634 4.350 -0.000 0.000 0.251 146 T C 0.556 175.421 174.700 0.274 0.000 1.117 146 T CA -0.142 62.011 62.100 0.088 0.000 1.034 146 T CB -0.363 68.539 68.868 0.057 0.000 0.968 146 T HN 0.480 nan 8.240 nan 0.000 0.526 147 F N 2.415 122.373 119.950 0.014 0.000 2.676 147 F HA 0.537 5.064 4.527 -0.000 0.000 0.300 147 F C 1.006 176.791 175.800 -0.026 0.000 1.160 147 F CA -1.518 56.470 58.000 -0.020 0.000 1.401 147 F CB -0.897 38.078 39.000 -0.041 0.000 1.037 147 F HN 0.224 nan 8.300 nan 0.000 0.522 148 S N -0.779 115.020 115.700 0.165 0.000 2.542 148 S HA 0.314 4.784 4.470 -0.000 0.000 0.293 148 S C 0.883 175.496 174.600 0.021 0.000 1.089 148 S CA -0.458 57.767 58.200 0.042 0.000 0.961 148 S CB 1.660 64.852 63.200 -0.014 0.000 1.062 148 S HN 0.285 nan 8.310 nan 0.000 0.483 149 Q N 1.280 121.071 119.800 -0.015 0.000 2.170 149 Q HA -0.027 4.312 4.340 -0.000 0.000 0.203 149 Q C -0.673 175.198 176.000 -0.216 0.000 0.976 149 Q CA 1.403 57.152 55.803 -0.090 0.000 0.858 149 Q CB 0.050 28.769 28.738 -0.031 0.000 0.907 149 Q HN 0.690 nan 8.270 nan 0.000 0.433 150 Y N -1.248 119.042 120.300 -0.016 0.000 2.442 150 Y HA 0.382 4.931 4.550 -0.000 0.000 0.344 150 Y C -0.074 175.905 175.900 0.131 0.000 0.976 150 Y CA -0.634 57.484 58.100 0.029 0.000 1.040 150 Y CB 2.417 40.882 38.460 0.009 0.000 1.228 150 Y HN -0.294 nan 8.280 nan 0.000 0.451 151 T N 1.910 116.651 114.554 0.313 0.000 2.887 151 T HA 0.807 5.157 4.350 -0.000 0.000 0.292 151 T C -1.858 172.953 174.700 0.185 0.000 1.087 151 T CA -0.581 61.723 62.100 0.339 0.000 1.009 151 T CB 1.207 70.194 68.868 0.198 0.000 1.203 151 T HN 0.320 nan 8.240 nan 0.000 0.518 152 V N 2.905 122.856 119.914 0.062 0.000 2.525 152 V HA 0.674 4.793 4.120 -0.000 0.000 0.299 152 V C -0.658 175.375 176.094 -0.102 0.000 1.034 152 V CA -0.636 61.655 62.300 -0.015 0.000 0.863 152 V CB 1.513 33.328 31.823 -0.014 0.000 0.999 152 V HN 0.780 nan 8.190 nan 0.000 0.423 153 V N 3.146 123.000 119.914 -0.100 0.000 2.914 153 V HA 0.516 4.635 4.120 -0.000 0.000 0.314 153 V C -0.043 175.982 176.094 -0.115 0.000 1.084 153 V CA -0.959 61.269 62.300 -0.120 0.000 0.963 153 V CB 2.340 34.089 31.823 -0.123 0.000 1.025 153 V HN 0.855 nan 8.190 nan 0.000 0.432 154 N N 2.226 120.868 118.700 -0.096 0.000 2.513 154 N HA 0.057 4.797 4.740 -0.000 0.000 0.268 154 N C 1.313 176.781 175.510 -0.070 0.000 1.180 154 N CA 0.089 53.098 53.050 -0.069 0.000 0.948 154 N CB 1.584 40.039 38.487 -0.052 0.000 1.083 154 N HN 0.915 nan 8.380 nan 0.000 0.455 155 Q N 3.539 123.315 119.800 -0.041 0.000 2.248 155 Q HA -0.182 4.158 4.340 -0.000 0.000 0.208 155 Q C 1.494 177.535 176.000 0.069 0.000 0.984 155 Q CA 1.550 57.358 55.803 0.009 0.000 0.875 155 Q CB -0.496 28.329 28.738 0.145 0.000 0.910 155 Q HN 0.823 nan 8.270 nan 0.000 0.433 156 I N -3.039 117.549 120.570 0.029 0.000 3.444 156 I HA 0.276 4.446 4.170 -0.000 0.000 0.287 156 I C 1.112 177.222 176.117 -0.011 0.000 1.302 156 I CA 0.563 61.877 61.300 0.023 0.000 1.368 156 I CB 0.053 38.055 38.000 0.003 0.000 1.048 156 I HN 0.162 nan 8.210 nan 0.000 0.487 157 A N 0.987 123.787 122.820 -0.034 0.000 2.643 157 A HA 0.663 4.982 4.320 -0.000 0.000 0.295 157 A C -0.126 177.411 177.584 -0.078 0.000 1.065 157 A CA -0.220 51.774 52.037 -0.071 0.000 0.986 157 A CB 0.177 19.131 19.000 -0.078 0.000 1.212 157 A HN 0.167 nan 8.150 nan 0.000 0.516 158 V N 0.338 120.229 119.914 -0.039 0.000 2.638 158 V HA 0.748 4.868 4.120 -0.000 0.000 0.306 158 V C -0.110 176.064 176.094 0.134 0.000 1.052 158 V CA -0.429 61.840 62.300 -0.053 0.000 0.885 158 V CB 1.691 33.319 31.823 -0.325 0.000 0.999 158 V HN 0.584 nan 8.190 nan 0.000 0.424 159 A N 3.890 126.779 122.820 0.114 0.000 2.318 159 A HA 0.686 5.005 4.320 -0.000 0.000 0.317 159 A C -0.363 177.345 177.584 0.207 0.000 1.159 159 A CA -0.665 51.468 52.037 0.160 0.000 0.799 159 A CB 0.956 20.001 19.000 0.076 0.000 1.194 159 A HN 0.771 nan 8.150 nan 0.000 0.479 160 K N 3.472 124.023 120.400 0.251 0.000 2.276 160 K HA 0.520 4.839 4.320 -0.000 0.000 0.283 160 K C -0.283 176.371 176.600 0.090 0.000 1.044 160 K CA -0.234 56.178 56.287 0.209 0.000 0.944 160 K CB 0.328 32.882 32.500 0.091 0.000 1.012 160 K HN 0.757 nan 8.250 nan 0.000 0.472 161 I N -0.671 119.946 120.570 0.078 0.000 3.237 161 I HA 0.387 4.556 4.170 -0.000 0.000 0.308 161 I C -0.064 176.077 176.117 0.040 0.000 1.093 161 I CA -1.106 60.221 61.300 0.047 0.000 1.001 161 I CB 1.328 39.352 38.000 0.039 0.000 1.245 161 I HN 0.503 nan 8.210 nan 0.000 0.485 162 D N 3.400 123.821 120.400 0.034 0.000 2.533 162 D HA 0.047 4.686 4.640 -0.000 0.000 0.236 162 D C -1.563 174.758 176.300 0.035 0.000 1.137 162 D CA -1.114 52.905 54.000 0.031 0.000 0.867 162 D CB 1.344 42.164 40.800 0.033 0.000 1.170 162 D HN 0.395 nan 8.370 nan 0.000 0.474 163 P HA -0.091 nan 4.420 nan 0.000 0.234 163 P C 0.780 178.098 177.300 0.030 0.000 1.167 163 P CA 0.597 63.715 63.100 0.030 0.000 0.763 163 P CB 0.194 31.908 31.700 0.024 0.000 0.835 164 S N -1.619 114.099 115.700 0.030 0.000 2.535 164 S HA 0.358 4.828 4.470 -0.000 0.000 0.214 164 S C 1.164 175.792 174.600 0.046 0.000 0.980 164 S CA -0.290 57.928 58.200 0.030 0.000 0.907 164 S CB -0.523 62.689 63.200 0.019 0.000 0.790 164 S HN 0.158 nan 8.310 nan 0.000 0.510 165 A N 3.964 126.819 122.820 0.059 0.000 2.540 165 A HA 0.417 4.736 4.320 -0.000 0.000 0.239 165 A C -2.241 175.395 177.584 0.086 0.000 1.061 165 A CA -1.046 51.046 52.037 0.091 0.000 0.758 165 A CB -0.313 18.737 19.000 0.083 0.000 0.991 165 A HN 0.371 nan 8.150 nan 0.000 0.502 166 P HA 0.195 nan 4.420 nan 0.000 0.280 166 P C 0.626 177.960 177.300 0.055 0.000 1.386 166 P CA -0.201 62.957 63.100 0.096 0.000 0.899 166 P CB 0.686 32.477 31.700 0.151 0.000 1.098 167 L N 2.363 123.605 121.223 0.032 0.000 2.127 167 L HA -0.195 4.145 4.340 -0.000 0.000 0.211 167 L C 1.823 178.693 176.870 -0.001 0.000 1.089 167 L CA 1.715 56.561 54.840 0.010 0.000 0.757 167 L CB -0.798 41.263 42.059 0.004 0.000 0.899 167 L HN 0.343 nan 8.230 nan 0.000 0.434 168 D N -2.352 118.053 120.400 0.008 0.000 2.363 168 D HA -0.083 4.556 4.640 -0.000 0.000 0.226 168 D C 1.346 177.646 176.300 0.000 0.000 1.020 168 D CA 0.811 54.814 54.000 0.006 0.000 0.892 168 D CB 0.014 40.822 40.800 0.014 0.000 0.900 168 D HN 0.176 nan 8.370 nan 0.000 0.531 169 T N -1.010 113.533 114.554 -0.019 0.000 3.115 169 T HA 0.011 4.361 4.350 -0.000 0.000 0.256 169 T C 1.848 176.452 174.700 -0.160 0.000 0.970 169 T CA 0.602 62.661 62.100 -0.069 0.000 1.010 169 T CB 0.040 68.873 68.868 -0.058 0.000 1.151 169 T HN 0.128 nan 8.240 nan 0.000 0.479 170 V N 2.004 121.823 119.914 -0.158 0.000 2.867 170 V HA -0.152 3.968 4.120 -0.000 0.000 0.260 170 V C 2.648 178.677 176.094 -0.109 0.000 1.099 170 V CA 1.424 63.620 62.300 -0.174 0.000 1.122 170 V CB -2.199 29.570 31.823 -0.089 0.000 0.708 170 V HN 0.798 nan 8.190 nan 0.000 0.490 171 C N 0.055 119.312 119.300 -0.071 0.000 2.403 171 C HA -0.094 4.366 4.460 -0.000 0.000 0.282 171 C C 2.405 177.363 174.990 -0.054 0.000 1.297 171 C CA 0.793 59.784 59.018 -0.045 0.000 1.785 171 C CB -2.035 25.689 27.740 -0.027 0.000 1.963 171 C HN 0.588 nan 8.230 nan 0.000 0.507 172 L N 0.381 121.550 121.223 -0.089 0.000 2.362 172 L HA -0.020 4.319 4.340 -0.000 0.000 0.219 172 L C 2.688 179.500 176.870 -0.096 0.000 1.134 172 L CA 0.921 55.693 54.840 -0.113 0.000 0.807 172 L CB -0.523 41.426 42.059 -0.184 0.000 0.927 172 L HN 0.389 nan 8.230 nan 0.000 0.447 173 L N -0.296 120.875 121.223 -0.086 0.000 2.362 173 L HA -0.065 4.275 4.340 -0.000 0.000 0.219 173 L C 2.530 179.467 176.870 0.112 0.000 1.134 173 L CA 0.749 55.559 54.840 -0.050 0.000 0.807 173 L CB -0.873 41.125 42.059 -0.102 0.000 0.927 173 L HN 0.305 nan 8.230 nan 0.000 0.447 174 G N -1.355 107.506 108.800 0.103 0.000 2.470 174 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.220 174 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.220 174 G C 1.246 176.366 174.900 0.367 0.000 1.121 174 G CA 0.971 46.173 45.100 0.169 0.000 0.766 174 G HN 0.497 nan 8.290 nan 0.000 0.553 175 C N -2.532 116.979 119.300 0.351 0.000 3.337 175 C HA 0.506 4.966 4.460 -0.000 0.000 0.136 175 C C 2.902 178.076 174.990 0.306 0.000 2.675 175 C CA 1.533 60.849 59.018 0.496 0.000 0.861 175 C CB -0.374 27.543 27.740 0.296 0.000 1.366 175 C HN 0.404 nan 8.230 nan 0.000 0.677 176 G N 1.376 110.243 108.800 0.111 0.000 2.649 176 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.220 176 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.220 176 G C 1.517 176.389 174.900 -0.047 0.000 1.189 176 G CA 2.351 47.466 45.100 0.025 0.000 0.777 176 G HN 0.657 nan 8.290 nan 0.000 0.602 177 V N 0.464 120.272 119.914 -0.176 0.000 2.358 177 V HA -0.139 3.980 4.120 -0.000 0.000 0.246 177 V C 3.070 179.155 176.094 -0.015 0.000 1.047 177 V CA 2.199 64.360 62.300 -0.232 0.000 1.035 177 V CB -0.462 31.118 31.823 -0.404 0.000 0.658 177 V HN 0.376 nan 8.190 nan 0.000 0.452 178 S N -0.432 115.254 115.700 -0.022 0.000 2.402 178 S HA -0.169 4.301 4.470 -0.000 0.000 0.229 178 S C 2.084 176.741 174.600 0.096 0.000 1.021 178 S CA 1.761 59.939 58.200 -0.037 0.000 0.974 178 S CB -0.282 62.651 63.200 -0.444 0.000 0.800 178 S HN 0.697 nan 8.310 nan 0.000 0.484 179 T N 1.217 115.838 114.554 0.112 0.000 2.701 179 T HA -0.031 4.318 4.350 -0.000 0.000 0.263 179 T C 2.043 176.822 174.700 0.132 0.000 1.040 179 T CA 1.360 63.549 62.100 0.148 0.000 1.147 179 T CB -0.776 68.218 68.868 0.210 0.000 0.865 179 T HN 0.523 nan 8.240 nan 0.000 0.426 180 G N 0.372 109.256 108.800 0.139 0.000 2.404 180 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.215 180 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.215 180 G C 1.381 176.375 174.900 0.157 0.000 1.174 180 G CA 0.311 45.493 45.100 0.137 0.000 0.780 180 G HN 0.431 nan 8.290 nan 0.000 0.537 181 F N 2.208 122.209 119.950 0.086 0.000 2.069 181 F HA -0.004 4.523 4.527 -0.000 0.000 0.298 181 F C 2.665 178.493 175.800 0.047 0.000 1.113 181 F CA 1.969 60.034 58.000 0.109 0.000 1.214 181 F CB -0.384 38.718 39.000 0.169 0.000 0.978 181 F HN 0.133 nan 8.300 nan 0.000 0.474 182 G N -0.695 108.263 108.800 0.264 0.000 2.422 182 G HA2 -0.179 3.780 3.960 -0.000 0.000 0.218 182 G HA3 -0.179 3.780 3.960 -0.000 0.000 0.218 182 G C 1.783 176.550 174.900 -0.220 0.000 1.140 182 G CA 0.659 45.643 45.100 -0.194 0.000 0.775 182 G HN 0.607 nan 8.290 nan 0.000 0.545 183 A N 1.129 123.896 122.820 -0.089 0.000 1.940 183 A HA 0.231 4.551 4.320 -0.000 0.000 0.219 183 A C 2.773 180.297 177.584 -0.099 0.000 1.176 183 A CA 2.297 54.297 52.037 -0.062 0.000 0.631 183 A CB -0.660 18.347 19.000 0.013 0.000 0.814 183 A HN 0.700 nan 8.150 nan 0.000 0.446 184 A N -0.889 121.843 122.820 -0.147 0.000 1.872 184 A HA 0.117 4.436 4.320 -0.000 0.000 0.214 184 A C 2.245 179.653 177.584 -0.294 0.000 1.187 184 A CA 1.637 53.548 52.037 -0.210 0.000 0.614 184 A CB -0.804 18.051 19.000 -0.241 0.000 0.826 184 A HN 0.338 nan 8.150 nan 0.000 0.442 185 V N 0.603 120.307 119.914 -0.350 0.000 2.302 185 V HA -0.220 3.899 4.120 -0.000 0.000 0.243 185 V C 2.154 178.099 176.094 -0.248 0.000 1.036 185 V CA 2.353 64.461 62.300 -0.320 0.000 1.020 185 V CB -1.078 30.547 31.823 -0.331 0.000 0.657 185 V HN 0.649 nan 8.190 nan 0.000 0.453 186 N N -0.509 118.020 118.700 -0.285 0.000 2.220 186 N HA -0.094 4.646 4.740 -0.000 0.000 0.182 186 N C 1.792 177.206 175.510 -0.159 0.000 1.023 186 N CA 1.615 54.515 53.050 -0.250 0.000 0.856 186 N CB -0.257 37.996 38.487 -0.389 0.000 0.997 186 N HN 0.372 nan 8.380 nan 0.000 0.429 187 T N 0.413 114.882 114.554 -0.143 0.000 2.706 187 T HA 0.022 4.372 4.350 -0.000 0.000 0.255 187 T C 2.090 176.779 174.700 -0.017 0.000 1.048 187 T CA 1.193 63.255 62.100 -0.063 0.000 1.153 187 T CB -0.507 68.337 68.868 -0.040 0.000 0.865 187 T HN 0.262 nan 8.240 nan 0.000 0.414 188 A N 0.970 123.775 122.820 -0.026 0.000 1.969 188 A HA 0.041 4.361 4.320 -0.000 0.000 0.218 188 A C 0.987 178.548 177.584 -0.038 0.000 1.169 188 A CA 1.108 53.170 52.037 0.043 0.000 0.635 188 A CB -0.459 18.554 19.000 0.021 0.000 0.810 188 A HN 0.608 nan 8.150 nan 0.000 0.445 189 K N -0.974 119.318 120.400 -0.180 0.000 3.239 189 K HA -0.107 4.213 4.320 -0.000 0.000 0.270 189 K C -0.462 175.860 176.600 -0.463 0.000 1.049 189 K CA 0.307 56.467 56.287 -0.211 0.000 0.769 189 K CB -2.315 30.148 32.500 -0.061 0.000 1.305 189 K HN 0.266 nan 8.250 nan 0.000 0.469 190 V N 1.319 120.773 119.914 -0.767 0.000 2.720 190 V HA -0.115 4.005 4.120 -0.000 0.000 0.307 190 V C 1.104 176.859 176.094 -0.565 0.000 1.071 190 V CA 0.783 62.375 62.300 -1.180 0.000 1.199 190 V CB 0.563 31.940 31.823 -0.743 0.000 0.900 190 V HN 0.267 nan 8.190 nan 0.000 0.494 191 E N 5.366 125.339 120.200 -0.379 0.000 2.222 191 E HA 0.416 4.765 4.350 -0.000 0.000 0.267 191 E C -2.584 173.976 176.600 -0.066 0.000 0.963 191 E CA -2.118 54.220 56.400 -0.103 0.000 0.837 191 E CB 1.344 31.072 29.700 0.045 0.000 1.183 191 E HN 0.478 nan 8.360 nan 0.000 0.403 192 P HA 0.023 nan 4.420 nan 0.000 0.268 192 P C 0.396 177.678 177.300 -0.029 0.000 1.204 192 P CA 0.860 63.928 63.100 -0.053 0.000 0.768 192 P CB 0.515 32.185 31.700 -0.050 0.000 0.842 193 G N 1.650 110.434 108.800 -0.026 0.000 2.179 193 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.260 193 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.260 193 G C 0.444 175.355 174.900 0.018 0.000 0.977 193 G CA 0.404 45.498 45.100 -0.010 0.000 0.641 193 G HN 0.746 nan 8.290 nan 0.000 0.533 194 S N -0.689 115.043 115.700 0.053 0.000 2.655 194 S HA 0.719 5.189 4.470 -0.000 0.000 0.265 194 S C 0.111 174.781 174.600 0.117 0.000 1.240 194 S CA 0.379 58.654 58.200 0.125 0.000 0.986 194 S CB 1.814 65.198 63.200 0.308 0.000 0.985 194 S HN 0.521 nan 8.310 nan 0.000 0.562 195 T N 0.828 115.471 114.554 0.148 0.000 2.824 195 T HA 0.622 4.972 4.350 -0.000 0.000 0.280 195 T C -0.536 174.263 174.700 0.164 0.000 0.995 195 T CA -0.433 61.733 62.100 0.110 0.000 1.009 195 T CB 0.265 69.180 68.868 0.078 0.000 0.955 195 T HN 0.797 nan 8.240 nan 0.000 0.452 196 C N 1.987 121.357 119.300 0.116 0.000 2.971 196 C HA 0.989 5.448 4.460 -0.000 0.000 0.310 196 C C -0.212 174.816 174.990 0.064 0.000 1.285 196 C CA -0.908 58.194 59.018 0.140 0.000 1.593 196 C CB 1.342 29.152 27.740 0.117 0.000 2.076 196 C HN 1.024 nan 8.230 nan 0.000 0.472 197 A N 0.892 123.764 122.820 0.086 0.000 2.427 197 A HA 0.784 5.104 4.320 -0.000 0.000 0.298 197 A C -1.454 176.158 177.584 0.047 0.000 1.036 197 A CA -0.265 51.772 52.037 0.001 0.000 0.701 197 A CB 1.042 20.049 19.000 0.011 0.000 1.250 197 A HN 0.741 nan 8.150 nan 0.000 0.412 198 V N 2.463 122.340 119.914 -0.061 0.000 2.448 198 V HA 0.492 4.612 4.120 -0.000 0.000 0.295 198 V C -1.167 174.888 176.094 -0.066 0.000 1.025 198 V CA -0.292 62.035 62.300 0.046 0.000 0.859 198 V CB 1.149 33.008 31.823 0.059 0.000 0.988 198 V HN 0.710 nan 8.190 nan 0.000 0.431 199 F N 2.944 122.946 119.950 0.087 0.000 2.385 199 F HA 0.737 5.263 4.527 -0.001 0.000 0.360 199 F C 0.845 176.700 175.800 0.092 0.000 1.122 199 F CA -0.121 57.935 58.000 0.092 0.000 1.090 199 F CB 1.492 40.542 39.000 0.083 0.000 1.150 199 F HN 0.771 nan 8.300 nan 0.000 0.472 200 G N 3.856 112.781 108.800 0.208 0.000 3.338 200 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.686 200 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.686 200 G C -1.004 173.974 174.900 0.131 0.000 1.053 200 G CA -1.131 44.064 45.100 0.159 0.000 0.852 200 G HN 0.691 nan 8.290 nan 0.000 0.545 201 L N 3.015 124.307 121.223 0.116 0.000 3.030 201 L HA 0.502 4.842 4.340 -0.000 0.000 0.252 201 L C 1.500 178.427 176.870 0.094 0.000 1.316 201 L CA 0.014 54.920 54.840 0.110 0.000 0.975 201 L CB 0.241 42.387 42.059 0.144 0.000 1.357 201 L HN 0.789 nan 8.230 nan 0.000 0.534 202 G N -0.234 108.624 108.800 0.097 0.000 2.582 202 G HA2 0.418 4.378 3.960 -0.000 0.000 0.232 202 G HA3 0.418 4.378 3.960 -0.000 0.000 0.232 202 G C 1.032 176.016 174.900 0.141 0.000 1.458 202 G CA 0.349 45.517 45.100 0.113 0.000 1.062 202 G HN 0.263 nan 8.290 nan 0.000 0.566 203 A N -1.525 121.400 122.820 0.175 0.000 1.930 203 A HA 0.087 4.407 4.320 -0.000 0.000 0.217 203 A C 2.503 180.180 177.584 0.156 0.000 1.175 203 A CA 1.883 54.056 52.037 0.228 0.000 0.627 203 A CB -0.658 18.419 19.000 0.128 0.000 0.815 203 A HN 0.415 nan 8.150 nan 0.000 0.443 204 V N -0.092 119.887 119.914 0.108 0.000 2.307 204 V HA -0.161 3.959 4.120 -0.000 0.000 0.245 204 V C 2.818 178.981 176.094 0.115 0.000 1.045 204 V CA 1.975 64.335 62.300 0.100 0.000 1.024 204 V CB -1.442 30.439 31.823 0.098 0.000 0.651 204 V HN 0.586 nan 8.190 nan 0.000 0.449 205 G N -0.346 108.521 108.800 0.111 0.000 2.421 205 G HA2 -0.186 3.773 3.960 -0.000 0.000 0.216 205 G HA3 -0.186 3.773 3.960 -0.000 0.000 0.216 205 G C 1.610 176.557 174.900 0.080 0.000 1.171 205 G CA 0.811 45.975 45.100 0.106 0.000 0.775 205 G HN 0.441 nan 8.290 nan 0.000 0.543 206 L N 0.676 121.924 121.223 0.041 0.000 2.079 206 L HA -0.097 4.243 4.340 -0.000 0.000 0.210 206 L C 3.374 180.176 176.870 -0.113 0.000 1.081 206 L CA 1.048 55.795 54.840 -0.156 0.000 0.752 206 L CB -0.332 41.445 42.059 -0.469 0.000 0.896 206 L HN 0.327 nan 8.230 nan 0.000 0.433 207 A N -0.277 122.643 122.820 0.167 0.000 1.969 207 A HA -0.077 4.242 4.320 -0.000 0.000 0.218 207 A C 2.501 180.227 177.584 0.236 0.000 1.169 207 A CA 1.434 53.661 52.037 0.317 0.000 0.635 207 A CB -0.498 18.651 19.000 0.247 0.000 0.810 207 A HN 0.400 nan 8.150 nan 0.000 0.445 208 A N -0.496 122.407 122.820 0.139 0.000 1.898 208 A HA 0.032 4.351 4.320 -0.000 0.000 0.216 208 A C 2.184 179.805 177.584 0.062 0.000 1.181 208 A CA 1.642 53.727 52.037 0.081 0.000 0.620 208 A CB -0.824 18.226 19.000 0.083 0.000 0.819 208 A HN 0.346 nan 8.150 nan 0.000 0.442 209 V N -0.200 119.767 119.914 0.088 0.000 2.343 209 V HA -0.307 3.812 4.120 -0.000 0.000 0.247 209 V C 2.585 178.776 176.094 0.161 0.000 1.051 209 V CA 2.282 64.644 62.300 0.103 0.000 1.036 209 V CB -0.644 31.247 31.823 0.113 0.000 0.654 209 V HN 0.723 nan 8.190 nan 0.000 0.451 210 M N 0.265 120.007 119.600 0.236 0.000 2.175 210 M HA -0.078 4.402 4.480 -0.000 0.000 0.264 210 M C 1.971 178.429 176.300 0.264 0.000 1.063 210 M CA 2.102 57.626 55.300 0.372 0.000 1.119 210 M CB -0.454 32.492 32.600 0.576 0.000 1.377 210 M HN 0.387 nan 8.290 nan 0.000 0.415 211 G N -0.374 108.420 108.800 -0.010 0.000 2.404 211 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.215 211 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.215 211 G C 1.406 176.113 174.900 -0.320 0.000 1.174 211 G CA 0.959 45.689 45.100 -0.617 0.000 0.780 211 G HN 0.556 nan 8.290 nan 0.000 0.537 212 C N -0.202 119.016 119.300 -0.137 0.000 2.413 212 C HA -0.055 4.405 4.460 -0.000 0.000 0.276 212 C C 2.538 177.506 174.990 -0.037 0.000 1.248 212 C CA 1.108 60.067 59.018 -0.099 0.000 1.742 212 C CB -1.166 26.558 27.740 -0.027 0.000 2.017 212 C HN 0.693 nan 8.230 nan 0.000 0.481 213 H N 0.860 119.914 119.070 -0.026 0.000 2.321 213 H HA -0.115 4.441 4.556 -0.000 0.000 0.300 213 H C 2.271 177.611 175.328 0.020 0.000 1.087 213 H CA 2.191 58.250 56.048 0.018 0.000 1.319 213 H CB -0.103 29.706 29.762 0.078 0.000 1.379 213 H HN 0.321 nan 8.280 nan 0.000 0.501 214 S N -0.197 115.556 115.700 0.088 0.000 2.382 214 S HA -0.121 4.349 4.470 -0.000 0.000 0.228 214 S C 2.262 176.831 174.600 -0.052 0.000 1.027 214 S CA 0.782 59.025 58.200 0.072 0.000 0.991 214 S CB -0.416 62.934 63.200 0.249 0.000 0.823 214 S HN 0.660 nan 8.310 nan 0.000 0.469 215 A N 0.385 123.128 122.820 -0.127 0.000 2.121 215 A HA 0.384 4.704 4.320 -0.000 0.000 0.218 215 A C 1.671 179.174 177.584 -0.134 0.000 1.154 215 A CA 1.107 53.055 52.037 -0.148 0.000 0.679 215 A CB -0.773 18.092 19.000 -0.224 0.000 0.795 215 A HN 1.005 nan 8.150 nan 0.000 0.458 216 G N -2.144 106.562 108.800 -0.155 0.000 2.140 216 G HA2 0.176 4.136 3.960 -0.000 0.000 0.211 216 G HA3 0.176 4.136 3.960 -0.000 0.000 0.211 216 G C 0.306 175.138 174.900 -0.114 0.000 1.013 216 G CA 0.166 45.174 45.100 -0.153 0.000 0.705 216 G HN 1.550 nan 8.290 nan 0.000 0.508 217 A N 0.151 122.910 122.820 -0.101 0.000 2.540 217 A HA 0.552 4.872 4.320 -0.000 0.000 0.239 217 A C 1.474 179.041 177.584 -0.028 0.000 1.061 217 A CA 1.300 53.311 52.037 -0.043 0.000 0.758 217 A CB 0.477 19.464 19.000 -0.022 0.000 0.991 217 A HN 0.512 nan 8.150 nan 0.000 0.502 218 K N 1.305 121.702 120.400 -0.005 0.000 2.167 218 K HA -0.008 4.312 4.320 -0.000 0.000 0.203 218 K C 0.634 177.236 176.600 0.003 0.000 1.052 218 K CA 0.939 57.224 56.287 -0.003 0.000 0.956 218 K CB 0.093 32.595 32.500 0.003 0.000 0.735 218 K HN 0.721 nan 8.250 nan 0.000 0.451 219 R N 0.263 120.767 120.500 0.008 0.000 2.621 219 R HA 0.416 4.756 4.340 -0.000 0.000 0.284 219 R C -1.475 174.817 176.300 -0.012 0.000 0.998 219 R CA -0.470 55.624 56.100 -0.011 0.000 0.895 219 R CB 1.355 31.647 30.300 -0.015 0.000 1.195 219 R HN 0.016 nan 8.270 nan 0.000 0.450 220 I N 6.266 126.806 120.570 -0.050 0.000 2.517 220 I HA 0.304 4.474 4.170 -0.000 0.000 0.280 220 I C -0.532 175.495 176.117 -0.151 0.000 1.061 220 I CA -0.481 60.785 61.300 -0.055 0.000 1.091 220 I CB 1.808 39.802 38.000 -0.010 0.000 1.205 220 I HN 0.469 nan 8.210 nan 0.000 0.459 221 I N 5.377 125.854 120.570 -0.154 0.000 2.312 221 I HA 0.430 4.600 4.170 -0.000 0.000 0.291 221 I C 0.721 176.697 176.117 -0.235 0.000 1.031 221 I CA -0.238 60.917 61.300 -0.241 0.000 1.293 221 I CB 1.255 39.136 38.000 -0.199 0.000 1.403 221 I HN 0.574 nan 8.210 nan 0.000 0.484 222 A N 7.221 129.880 122.820 -0.269 0.000 2.289 222 A HA 0.658 4.978 4.320 -0.000 0.000 0.298 222 A C -0.351 177.182 177.584 -0.085 0.000 1.208 222 A CA -0.386 51.583 52.037 -0.115 0.000 0.845 222 A CB 0.589 19.610 19.000 0.035 0.000 1.125 222 A HN 0.495 nan 8.150 nan 0.000 0.517 223 V N 3.407 123.258 119.914 -0.106 0.000 2.495 223 V HA 0.634 4.754 4.120 -0.000 0.000 0.298 223 V C -0.541 175.624 176.094 0.119 0.000 1.031 223 V CA -0.505 61.749 62.300 -0.078 0.000 0.871 223 V CB 1.675 33.176 31.823 -0.536 0.000 0.988 223 V HN 0.983 nan 8.190 nan 0.000 0.432 224 D N 2.442 123.002 120.400 0.266 0.000 2.745 224 D HA 0.280 4.920 4.640 -0.000 0.000 0.221 224 D C 0.387 176.766 176.300 0.133 0.000 1.237 224 D CA -0.549 53.563 54.000 0.186 0.000 0.781 224 D CB 2.374 43.260 40.800 0.144 0.000 1.575 224 D HN 0.312 nan 8.370 nan 0.000 0.482 225 L N 1.400 122.671 121.223 0.080 0.000 2.141 225 L HA -0.036 4.303 4.340 -0.000 0.000 0.209 225 L C 1.163 178.014 176.870 -0.031 0.000 1.094 225 L CA 0.756 55.627 54.840 0.052 0.000 0.763 225 L CB -0.214 41.877 42.059 0.052 0.000 0.908 225 L HN 0.223 nan 8.230 nan 0.000 0.437 226 N N 0.946 119.587 118.700 -0.098 0.000 2.469 226 N HA 0.094 4.834 4.740 -0.000 0.000 0.239 226 N C -1.600 173.647 175.510 -0.437 0.000 1.053 226 N CA -2.228 50.716 53.050 -0.177 0.000 0.937 226 N CB 0.998 39.422 38.487 -0.105 0.000 1.163 226 N HN -0.066 nan 8.380 nan 0.000 0.509 227 P HA -0.078 nan 4.420 nan 0.000 0.223 227 P C -0.024 176.928 177.300 -0.580 0.000 1.144 227 P CA 0.803 63.417 63.100 -0.810 0.000 0.783 227 P CB 0.526 32.067 31.700 -0.264 0.000 0.771 228 D N -0.094 120.113 120.400 -0.321 0.000 2.348 228 D HA -0.058 4.581 4.640 -0.000 0.000 0.216 228 D C 1.603 177.814 176.300 -0.148 0.000 0.970 228 D CA 0.771 54.668 54.000 -0.172 0.000 0.889 228 D CB -0.070 40.675 40.800 -0.091 0.000 0.912 228 D HN 0.157 nan 8.370 nan 0.000 0.524 229 K N -0.223 120.033 120.400 -0.239 0.000 2.393 229 K HA 0.070 4.390 4.320 -0.000 0.000 0.193 229 K C 1.350 177.994 176.600 0.073 0.000 1.026 229 K CA -0.042 56.197 56.287 -0.079 0.000 1.064 229 K CB -0.067 32.398 32.500 -0.059 0.000 0.833 229 K HN 0.149 nan 8.250 nan 0.000 0.521 230 F N 1.863 121.820 119.950 0.011 0.000 2.186 230 F HA -0.102 4.425 4.527 -0.000 0.000 0.299 230 F C 2.389 178.106 175.800 -0.140 0.000 1.090 230 F CA 0.832 58.803 58.000 -0.048 0.000 1.307 230 F CB -0.798 38.064 39.000 -0.230 0.000 1.019 230 F HN 0.078 nan 8.300 nan 0.000 0.489 231 E N 0.768 120.996 120.200 0.046 0.000 2.058 231 E HA -0.186 4.164 4.350 -0.000 0.000 0.194 231 E C 2.140 178.779 176.600 0.066 0.000 0.997 231 E CA 1.519 57.914 56.400 -0.008 0.000 0.801 231 E CB -0.188 29.500 29.700 -0.019 0.000 0.746 231 E HN 0.187 nan 8.360 nan 0.000 0.450 232 K N -0.526 119.944 120.400 0.116 0.000 2.097 232 K HA -0.065 4.255 4.320 -0.000 0.000 0.206 232 K C 2.075 178.865 176.600 0.316 0.000 1.049 232 K CA 0.936 57.336 56.287 0.187 0.000 0.933 232 K CB -0.162 32.458 32.500 0.199 0.000 0.717 232 K HN 0.175 nan 8.250 nan 0.000 0.442 233 A N 1.872 124.877 122.820 0.308 0.000 1.933 233 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 233 A C 2.043 179.852 177.584 0.374 0.000 1.175 233 A CA 1.625 53.878 52.037 0.360 0.000 0.628 233 A CB -0.340 18.916 19.000 0.426 0.000 0.814 233 A HN 0.237 nan 8.150 nan 0.000 0.444 234 K N -0.199 120.426 120.400 0.375 0.000 2.057 234 K HA -0.076 4.244 4.320 -0.000 0.000 0.206 234 K C 1.721 178.398 176.600 0.129 0.000 1.050 234 K CA 1.520 58.003 56.287 0.326 0.000 0.935 234 K CB -0.235 32.398 32.500 0.223 0.000 0.715 234 K HN 0.228 nan 8.250 nan 0.000 0.439 235 V N 0.883 120.831 119.914 0.056 0.000 2.490 235 V HA -0.197 3.922 4.120 -0.000 0.000 0.250 235 V C 1.721 177.659 176.094 -0.259 0.000 1.061 235 V CA 1.573 63.798 62.300 -0.125 0.000 1.064 235 V CB -0.508 31.188 31.823 -0.212 0.000 0.670 235 V HN 0.252 nan 8.190 nan 0.000 0.461 236 F N 0.098 120.011 119.950 -0.061 0.000 2.789 236 F HA 0.392 4.919 4.527 -0.001 0.000 0.300 236 F C 1.847 177.562 175.800 -0.142 0.000 1.132 236 F CA 0.953 58.900 58.000 -0.088 0.000 1.404 236 F CB 0.404 39.367 39.000 -0.061 0.000 1.114 236 F HN 0.267 nan 8.300 nan 0.000 0.584 237 G N -0.475 108.320 108.800 -0.009 0.000 2.227 237 G HA2 -0.036 3.923 3.960 -0.000 0.000 0.168 237 G HA3 -0.036 3.923 3.960 -0.000 0.000 0.168 237 G C 0.278 175.207 174.900 0.048 0.000 1.006 237 G CA -0.413 44.623 45.100 -0.107 0.000 0.684 237 G HN 0.473 nan 8.290 nan 0.000 0.489 238 A N 0.765 123.630 122.820 0.074 0.000 2.462 238 A HA 0.620 4.940 4.320 -0.000 0.000 0.243 238 A C 1.594 179.069 177.584 -0.182 0.000 1.076 238 A CA 1.644 53.649 52.037 -0.052 0.000 0.773 238 A CB 0.377 19.335 19.000 -0.070 0.000 1.010 238 A HN 1.402 nan 8.150 nan 0.000 0.493 239 T N -0.930 113.449 114.554 -0.291 0.000 3.015 239 T HA 0.231 4.580 4.350 -0.000 0.000 0.250 239 T C 0.017 174.376 174.700 -0.568 0.000 1.057 239 T CA 0.921 62.850 62.100 -0.285 0.000 1.066 239 T CB -0.210 68.581 68.868 -0.129 0.000 0.959 239 T HN 0.604 nan 8.240 nan 0.000 0.488 240 D N -0.070 119.834 120.400 -0.827 0.000 2.601 240 D HA 0.609 5.249 4.640 -0.000 0.000 0.230 240 D C -1.603 173.944 176.300 -1.256 0.000 1.106 240 D CA -0.558 52.937 54.000 -0.840 0.000 0.873 240 D CB 1.650 42.217 40.800 -0.388 0.000 1.515 240 D HN 0.218 nan 8.370 nan 0.000 0.468 241 F N 0.573 120.304 119.950 -0.365 0.000 2.507 241 F HA 0.587 5.114 4.527 -0.000 0.000 0.328 241 F C -0.624 174.821 175.800 -0.591 0.000 1.136 241 F CA -1.012 56.528 58.000 -0.768 0.000 0.930 241 F CB 1.495 39.727 39.000 -1.281 0.000 1.166 241 F HN -0.028 nan 8.300 nan 0.000 0.436 242 V N 2.560 122.310 119.914 -0.274 0.000 2.588 242 V HA 0.444 4.564 4.120 -0.000 0.000 0.304 242 V C -0.928 175.345 176.094 0.298 0.000 1.042 242 V CA -0.820 61.502 62.300 0.036 0.000 0.877 242 V CB 2.029 33.846 31.823 -0.010 0.000 0.996 242 V HN 0.706 nan 8.190 nan 0.000 0.425 243 N N 5.540 124.477 118.700 0.395 0.000 2.444 243 N HA 0.445 5.185 4.740 -0.000 0.000 0.262 243 N C -2.034 173.651 175.510 0.292 0.000 0.974 243 N CA -2.220 51.050 53.050 0.367 0.000 0.933 243 N CB 2.596 41.274 38.487 0.319 0.000 1.137 243 N HN 0.174 nan 8.380 nan 0.000 0.498 244 P HA -0.059 nan 4.420 nan 0.000 0.216 244 P C 0.662 178.080 177.300 0.196 0.000 1.150 244 P CA 0.979 64.228 63.100 0.248 0.000 0.837 244 P CB 0.374 32.189 31.700 0.193 0.000 0.786 245 N N -0.531 118.245 118.700 0.127 0.000 2.272 245 N HA -0.129 4.611 4.740 -0.000 0.000 0.185 245 N C 0.887 176.404 175.510 0.013 0.000 1.014 245 N CA 1.135 54.226 53.050 0.068 0.000 0.870 245 N CB -0.809 37.707 38.487 0.049 0.000 0.975 245 N HN 0.194 nan 8.380 nan 0.000 0.433 246 D N -0.219 120.151 120.400 -0.050 0.000 2.363 246 D HA 0.002 4.642 4.640 -0.000 0.000 0.226 246 D C -0.308 175.669 176.300 -0.538 0.000 1.020 246 D CA 0.592 54.426 54.000 -0.278 0.000 0.892 246 D CB -0.045 40.537 40.800 -0.363 0.000 0.900 246 D HN 0.434 nan 8.370 nan 0.000 0.531 247 H N -1.765 117.335 119.070 0.051 0.000 2.759 247 H HA 0.214 4.770 4.556 -0.000 0.000 0.354 247 H C 1.048 176.399 175.328 0.039 0.000 1.074 247 H CA -0.504 55.570 56.048 0.042 0.000 1.226 247 H CB 1.794 31.582 29.762 0.044 0.000 1.648 247 H HN -0.251 nan 8.280 nan 0.000 0.529 248 S N 1.312 117.089 115.700 0.128 0.000 2.428 248 S HA -0.099 4.370 4.470 -0.000 0.000 0.230 248 S C 0.745 175.394 174.600 0.081 0.000 1.014 248 S CA 0.261 58.511 58.200 0.083 0.000 0.957 248 S CB -0.128 63.105 63.200 0.055 0.000 0.784 248 S HN 0.711 nan 8.310 nan 0.000 0.499 249 E N 2.800 123.056 120.200 0.094 0.000 2.283 249 E HA 0.388 4.738 4.350 -0.000 0.000 0.271 249 E C -2.828 173.811 176.600 0.065 0.000 1.031 249 E CA -2.915 53.523 56.400 0.062 0.000 0.868 249 E CB -0.417 29.308 29.700 0.042 0.000 1.094 249 E HN 0.092 nan 8.360 nan 0.000 0.401 250 P HA -0.058 nan 4.420 nan 0.000 0.266 250 P C 0.933 178.262 177.300 0.048 0.000 1.193 250 P CA -0.207 62.922 63.100 0.048 0.000 0.770 250 P CB 0.640 32.356 31.700 0.027 0.000 0.836 251 I N 3.163 123.782 120.570 0.082 0.000 2.315 251 I HA -0.302 3.868 4.170 -0.000 0.000 0.251 251 I C 2.261 178.427 176.117 0.082 0.000 1.125 251 I CA 2.247 63.606 61.300 0.099 0.000 1.392 251 I CB -0.692 37.438 38.000 0.217 0.000 1.065 251 I HN 0.454 nan 8.210 nan 0.000 0.424 252 S N -0.520 115.221 115.700 0.067 0.000 2.382 252 S HA -0.249 4.221 4.470 -0.000 0.000 0.228 252 S C 1.903 176.503 174.600 0.000 0.000 1.027 252 S CA 1.158 59.382 58.200 0.039 0.000 0.991 252 S CB -0.746 62.452 63.200 -0.003 0.000 0.823 252 S HN 0.647 nan 8.310 nan 0.000 0.469 253 Q N 0.613 120.406 119.800 -0.011 0.000 2.119 253 Q HA -0.021 4.319 4.340 -0.000 0.000 0.201 253 Q C 2.448 178.418 176.000 -0.050 0.000 0.972 253 Q CA 1.547 57.334 55.803 -0.027 0.000 0.847 253 Q CB -0.494 28.233 28.738 -0.017 0.000 0.903 253 Q HN 0.531 nan 8.270 nan 0.000 0.433 254 V N 1.376 121.242 119.914 -0.080 0.000 2.261 254 V HA -0.261 3.859 4.120 -0.000 0.000 0.246 254 V C 2.246 178.264 176.094 -0.127 0.000 1.047 254 V CA 1.573 63.772 62.300 -0.168 0.000 1.015 254 V CB -0.583 31.023 31.823 -0.362 0.000 0.642 254 V HN 0.343 nan 8.190 nan 0.000 0.446 255 L N -0.101 121.074 121.223 -0.079 0.000 2.093 255 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 255 L C 2.726 179.570 176.870 -0.042 0.000 1.085 255 L CA 1.712 56.520 54.840 -0.054 0.000 0.755 255 L CB -0.709 41.349 42.059 -0.002 0.000 0.904 255 L HN 0.401 nan 8.230 nan 0.000 0.435 256 S N 0.101 115.778 115.700 -0.038 0.000 2.359 256 S HA -0.255 4.215 4.470 -0.000 0.000 0.224 256 S C 2.108 176.682 174.600 -0.044 0.000 1.035 256 S CA 1.678 59.853 58.200 -0.042 0.000 1.018 256 S CB -0.067 63.106 63.200 -0.044 0.000 0.876 256 S HN 0.317 nan 8.310 nan 0.000 0.448 257 K N 0.066 120.438 120.400 -0.047 0.000 2.057 257 K HA -0.033 4.286 4.320 -0.000 0.000 0.207 257 K C 2.251 178.828 176.600 -0.038 0.000 1.049 257 K CA 1.536 57.798 56.287 -0.041 0.000 0.931 257 K CB -0.244 32.231 32.500 -0.041 0.000 0.714 257 K HN 0.434 nan 8.250 nan 0.000 0.440 258 M N 0.259 119.829 119.600 -0.049 0.000 2.213 258 M HA -0.114 4.366 4.480 -0.000 0.000 0.263 258 M C 1.782 178.062 176.300 -0.034 0.000 1.062 258 M CA 2.013 57.286 55.300 -0.045 0.000 1.105 258 M CB -0.134 32.428 32.600 -0.063 0.000 1.385 258 M HN 0.271 nan 8.290 nan 0.000 0.417 259 T N -4.024 110.511 114.554 -0.032 0.000 3.054 259 T HA 0.197 4.547 4.350 -0.000 0.000 0.255 259 T C 0.268 174.958 174.700 -0.017 0.000 1.035 259 T CA -0.377 61.711 62.100 -0.019 0.000 0.941 259 T CB -0.013 68.847 68.868 -0.014 0.000 1.026 259 T HN 0.372 nan 8.240 nan 0.000 0.533 260 N N 1.228 119.913 118.700 -0.025 0.000 2.806 260 N HA -0.137 4.603 4.740 -0.000 0.000 0.248 260 N C 0.891 176.373 175.510 -0.046 0.000 1.081 260 N CA 0.904 53.937 53.050 -0.029 0.000 0.680 260 N CB -1.667 36.810 38.487 -0.016 0.000 0.941 260 N HN 0.999 nan 8.380 nan 0.000 0.554 261 G N -1.811 106.956 108.800 -0.056 0.000 2.211 261 G HA2 0.276 4.236 3.960 -0.000 0.000 0.201 261 G HA3 0.276 4.236 3.960 -0.000 0.000 0.201 261 G C 0.421 175.266 174.900 -0.091 0.000 0.997 261 G CA 0.587 45.638 45.100 -0.082 0.000 0.652 261 G HN 1.627 nan 8.290 nan 0.000 0.500 262 G N -1.978 106.783 108.800 -0.064 0.000 2.406 262 G HA2 0.500 4.460 3.960 -0.000 0.000 0.680 262 G HA3 0.500 4.460 3.960 -0.000 0.000 0.680 262 G C 0.008 174.891 174.900 -0.029 0.000 1.338 262 G CA 0.277 45.345 45.100 -0.053 0.000 0.941 262 G HN 1.894 nan 8.290 nan 0.000 0.633 263 V N -1.422 118.492 119.914 -0.000 0.000 3.214 263 V HA 0.672 4.792 4.120 -0.000 0.000 0.306 263 V C 1.012 177.122 176.094 0.025 0.000 1.078 263 V CA 0.630 62.952 62.300 0.037 0.000 1.077 263 V CB 1.576 33.441 31.823 0.069 0.000 1.121 263 V HN 0.670 nan 8.190 nan 0.000 0.468 264 D N 0.437 120.869 120.400 0.053 0.000 2.137 264 D HA 0.137 4.776 4.640 -0.000 0.000 0.202 264 D C 0.057 176.091 176.300 -0.444 0.000 0.970 264 D CA 1.719 55.655 54.000 -0.108 0.000 0.837 264 D CB 0.011 40.752 40.800 -0.098 0.000 0.981 264 D HN 0.566 nan 8.370 nan 0.000 0.475 265 F N -0.342 119.665 119.950 0.095 0.000 2.578 265 F HA 0.355 4.882 4.527 -0.001 0.000 0.311 265 F C 0.049 175.902 175.800 0.089 0.000 1.094 265 F CA -1.050 56.998 58.000 0.080 0.000 0.923 265 F CB 2.171 41.202 39.000 0.052 0.000 1.230 265 F HN -0.330 nan 8.300 nan 0.000 0.450 266 S N 2.283 118.155 115.700 0.286 0.000 2.564 266 S HA 0.935 5.405 4.470 -0.000 0.000 0.274 266 S C -1.661 173.092 174.600 0.255 0.000 1.124 266 S CA -0.759 57.602 58.200 0.269 0.000 0.869 266 S CB 1.922 65.286 63.200 0.274 0.000 1.105 266 S HN 0.539 nan 8.310 nan 0.000 0.472 267 L N 1.667 123.057 121.223 0.278 0.000 2.436 267 L HA 0.590 4.930 4.340 -0.000 0.000 0.268 267 L C -0.354 176.681 176.870 0.275 0.000 0.974 267 L CA -0.402 54.575 54.840 0.228 0.000 0.826 267 L CB 2.054 44.212 42.059 0.165 0.000 1.291 267 L HN 0.750 nan 8.230 nan 0.000 0.406 268 E N 1.799 122.119 120.200 0.199 0.000 2.115 268 E HA 0.295 4.644 4.350 -0.000 0.000 0.282 268 E C -1.000 175.695 176.600 0.159 0.000 0.987 268 E CA -0.181 56.322 56.400 0.173 0.000 0.797 268 E CB 1.364 31.112 29.700 0.080 0.000 1.086 268 E HN 0.769 nan 8.360 nan 0.000 0.397 269 C N 4.406 123.813 119.300 0.179 0.000 2.660 269 C HA 0.277 4.737 4.460 -0.000 0.000 0.265 269 C C 1.362 176.420 174.990 0.113 0.000 1.573 269 C CA -0.447 58.653 59.018 0.138 0.000 1.751 269 C CB -0.794 27.028 27.740 0.136 0.000 3.033 269 C HN 0.538 nan 8.230 nan 0.000 0.511 270 V N 0.159 120.136 119.914 0.105 0.000 2.854 270 V HA 0.480 4.599 4.120 -0.000 0.000 0.236 270 V C 1.716 177.836 176.094 0.045 0.000 1.157 270 V CA 1.437 63.780 62.300 0.072 0.000 1.187 270 V CB -0.451 31.425 31.823 0.088 0.000 0.949 270 V HN 0.561 nan 8.190 nan 0.000 0.488 271 G N 2.198 111.026 108.800 0.047 0.000 2.215 271 G HA2 -0.193 3.766 3.960 -0.000 0.000 0.198 271 G HA3 -0.193 3.766 3.960 -0.000 0.000 0.198 271 G C -0.243 174.636 174.900 -0.035 0.000 1.047 271 G CA 0.230 45.349 45.100 0.031 0.000 0.747 271 G HN 0.515 nan 8.290 nan 0.000 0.495 272 N N -0.012 118.666 118.700 -0.036 0.000 2.410 272 N HA 0.393 5.133 4.740 -0.000 0.000 0.287 272 N C 1.614 177.087 175.510 -0.063 0.000 1.044 272 N CA 0.064 53.073 53.050 -0.068 0.000 0.881 272 N CB 2.208 40.678 38.487 -0.029 0.000 1.405 272 N HN 0.551 nan 8.380 nan 0.000 0.490 273 V N 2.469 122.327 119.914 -0.093 0.000 2.469 273 V HA 0.017 4.137 4.120 -0.000 0.000 0.251 273 V C 1.984 178.080 176.094 0.003 0.000 1.064 273 V CA 2.116 64.391 62.300 -0.041 0.000 1.066 273 V CB -1.022 30.780 31.823 -0.035 0.000 0.667 273 V HN 0.626 nan 8.190 nan 0.000 0.461 274 G N 0.024 108.821 108.800 -0.005 0.000 2.421 274 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.217 274 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.217 274 G C 1.482 176.371 174.900 -0.019 0.000 1.143 274 G CA 1.171 46.275 45.100 0.006 0.000 0.784 274 G HN 0.496 nan 8.290 nan 0.000 0.541 275 V N 0.902 120.796 119.914 -0.034 0.000 2.488 275 V HA -0.070 4.050 4.120 -0.000 0.000 0.246 275 V C 2.807 178.790 176.094 -0.185 0.000 1.046 275 V CA 1.478 63.719 62.300 -0.100 0.000 1.053 275 V CB -0.360 31.446 31.823 -0.029 0.000 0.679 275 V HN 0.331 nan 8.190 nan 0.000 0.458 276 M N -0.277 119.289 119.600 -0.056 0.000 2.149 276 M HA -0.211 4.269 4.480 -0.000 0.000 0.261 276 M C 2.446 178.808 176.300 0.103 0.000 1.064 276 M CA 1.918 57.247 55.300 0.048 0.000 1.102 276 M CB -0.486 32.185 32.600 0.119 0.000 1.369 276 M HN 0.212 nan 8.290 nan 0.000 0.408 277 R N 0.528 121.065 120.500 0.062 0.000 2.062 277 R HA -0.120 4.220 4.340 -0.000 0.000 0.231 277 R C 1.895 178.111 176.300 -0.141 0.000 1.136 277 R CA 1.453 57.552 56.100 -0.002 0.000 0.948 277 R CB -0.174 30.136 30.300 0.017 0.000 0.845 277 R HN 0.402 nan 8.270 nan 0.000 0.430 278 N N 0.514 119.118 118.700 -0.160 0.000 2.223 278 N HA -0.161 4.579 4.740 -0.000 0.000 0.185 278 N C 1.614 176.934 175.510 -0.316 0.000 1.016 278 N CA 1.347 54.283 53.050 -0.190 0.000 0.863 278 N CB -0.141 38.265 38.487 -0.135 0.000 0.983 278 N HN 0.319 nan 8.380 nan 0.000 0.429 279 A N 1.215 123.700 122.820 -0.560 0.000 1.902 279 A HA -0.109 4.210 4.320 -0.000 0.000 0.217 279 A C 2.287 179.740 177.584 -0.219 0.000 1.181 279 A CA 0.943 52.608 52.037 -0.619 0.000 0.623 279 A CB -0.640 18.003 19.000 -0.595 0.000 0.818 279 A HN 0.251 nan 8.150 nan 0.000 0.443 280 L N -0.006 121.062 121.223 -0.259 0.000 2.027 280 L HA -0.087 4.253 4.340 -0.000 0.000 0.206 280 L C 2.051 178.744 176.870 -0.296 0.000 1.074 280 L CA 2.299 56.910 54.840 -0.382 0.000 0.745 280 L CB -0.512 41.044 42.059 -0.838 0.000 0.898 280 L HN 0.485 nan 8.230 nan 0.000 0.433 281 E N -1.015 119.032 120.200 -0.254 0.000 2.409 281 E HA -0.106 4.244 4.350 -0.000 0.000 0.198 281 E C 1.900 178.434 176.600 -0.110 0.000 1.024 281 E CA 0.796 57.088 56.400 -0.180 0.000 0.861 281 E CB 0.011 29.619 29.700 -0.152 0.000 0.788 281 E HN 0.455 nan 8.360 nan 0.000 0.521 282 S N 0.062 115.721 115.700 -0.067 0.000 2.501 282 S HA 0.011 4.481 4.470 -0.000 0.000 0.220 282 S C 0.818 175.410 174.600 -0.013 0.000 0.997 282 S CA -0.170 58.037 58.200 0.012 0.000 0.919 282 S CB 0.154 63.452 63.200 0.164 0.000 0.778 282 S HN 0.272 nan 8.310 nan 0.000 0.523 283 C N 1.908 121.173 119.300 -0.059 0.000 2.595 283 C HA 0.415 4.875 4.460 -0.000 0.000 0.384 283 C C 0.629 175.537 174.990 -0.137 0.000 1.289 283 C CA -0.973 57.997 59.018 -0.081 0.000 2.372 283 C CB -0.303 27.373 27.740 -0.106 0.000 2.593 283 C HN 0.402 nan 8.230 nan 0.000 0.639 284 L N 3.027 124.146 121.223 -0.174 0.000 2.417 284 L HA 0.296 4.635 4.340 -0.000 0.000 0.268 284 L C 0.583 177.231 176.870 -0.370 0.000 1.158 284 L CA 0.305 54.976 54.840 -0.282 0.000 0.819 284 L CB 0.341 42.185 42.059 -0.359 0.000 1.112 284 L HN 0.756 nan 8.230 nan 0.000 0.458 285 K N 2.686 122.863 120.400 -0.372 0.000 2.230 285 K HA 0.509 4.829 4.320 -0.000 0.000 0.253 285 K C 0.827 177.131 176.600 -0.494 0.000 1.008 285 K CA 0.031 56.114 56.287 -0.341 0.000 0.910 285 K CB 0.097 32.438 32.500 -0.265 0.000 0.994 285 K HN 0.817 nan 8.250 nan 0.000 0.495 286 G N 1.294 109.898 108.800 -0.327 0.000 2.708 286 G HA2 -0.312 3.647 3.960 -0.000 0.000 0.229 286 G HA3 -0.312 3.647 3.960 -0.000 0.000 0.229 286 G C 0.309 175.158 174.900 -0.085 0.000 1.236 286 G CA 0.640 45.576 45.100 -0.273 0.000 0.749 286 G HN 1.036 nan 8.290 nan 0.000 0.515 287 W N 0.472 121.707 121.300 -0.109 0.000 1.780 287 W HA 0.647 5.307 4.660 -0.001 0.000 0.256 287 W C 0.771 177.160 176.519 -0.216 0.000 0.844 287 W CA -0.571 56.690 57.345 -0.139 0.000 1.227 287 W CB -0.369 29.010 29.460 -0.135 0.000 1.006 287 W HN 0.773 nan 8.180 nan 0.000 0.493 288 G N 1.925 110.657 108.800 -0.113 0.000 2.380 288 G HA2 0.393 4.353 3.960 -0.000 0.000 0.242 288 G HA3 0.393 4.353 3.960 -0.000 0.000 0.242 288 G C -0.896 173.944 174.900 -0.099 0.000 1.298 288 G CA 0.240 45.262 45.100 -0.129 0.000 0.878 288 G HN 0.084 nan 8.290 nan 0.000 0.542 289 V N 1.343 121.191 119.914 -0.111 0.000 2.588 289 V HA 0.627 4.747 4.120 -0.000 0.000 0.304 289 V C 0.022 176.183 176.094 0.111 0.000 1.042 289 V CA -0.742 61.574 62.300 0.027 0.000 0.877 289 V CB 1.909 33.801 31.823 0.115 0.000 0.996 289 V HN 0.805 nan 8.190 nan 0.000 0.425 290 S N 3.279 119.064 115.700 0.141 0.000 2.521 290 S HA 0.811 5.281 4.470 -0.000 0.000 0.295 290 S C -1.039 173.750 174.600 0.316 0.000 1.098 290 S CA -0.441 57.877 58.200 0.197 0.000 0.999 290 S CB 1.640 64.885 63.200 0.075 0.000 1.034 290 S HN 0.496 nan 8.310 nan 0.000 0.483 291 V N 5.922 125.989 119.914 0.255 0.000 2.448 291 V HA 0.463 4.583 4.120 -0.000 0.000 0.295 291 V C -0.414 175.780 176.094 0.167 0.000 1.025 291 V CA -0.776 61.644 62.300 0.199 0.000 0.859 291 V CB 1.477 33.384 31.823 0.139 0.000 0.988 291 V HN 0.796 nan 8.190 nan 0.000 0.431 292 L N 4.938 126.226 121.223 0.107 0.000 2.278 292 L HA 0.364 4.704 4.340 -0.000 0.000 0.287 292 L C 0.732 177.648 176.870 0.076 0.000 1.072 292 L CA -0.068 54.810 54.840 0.064 0.000 0.819 292 L CB 1.090 43.118 42.059 -0.051 0.000 1.176 292 L HN 0.527 nan 8.230 nan 0.000 0.435 293 V N 1.999 121.972 119.914 0.100 0.000 2.854 293 V HA 0.170 4.289 4.120 -0.000 0.000 0.236 293 V C 1.343 177.514 176.094 0.128 0.000 1.157 293 V CA 0.547 62.911 62.300 0.108 0.000 1.187 293 V CB -0.053 31.836 31.823 0.110 0.000 0.949 293 V HN 0.840 nan 8.190 nan 0.000 0.488 294 G N -0.903 107.972 108.800 0.126 0.000 2.554 294 G HA2 0.220 4.180 3.960 -0.000 0.000 0.238 294 G HA3 0.220 4.180 3.960 -0.000 0.000 0.238 294 G C -1.159 173.864 174.900 0.206 0.000 1.259 294 G CA 0.035 45.221 45.100 0.143 0.000 0.843 294 G HN 0.441 nan 8.290 nan 0.000 0.582 295 W N 0.793 122.071 121.300 -0.036 0.000 3.033 295 W HA 0.626 5.285 4.660 -0.001 0.000 0.336 295 W C -0.504 175.971 176.519 -0.074 0.000 1.173 295 W CA -0.651 56.657 57.345 -0.062 0.000 1.185 295 W CB 2.287 31.703 29.460 -0.074 0.000 1.425 295 W HN 0.830 nan 8.180 nan 0.000 0.536 296 T N 2.072 116.076 114.554 -0.917 0.000 2.769 296 T HA 0.198 4.547 4.350 -0.000 0.000 0.306 296 T C -1.136 172.726 174.700 -1.396 0.000 1.400 296 T CA -0.281 61.124 62.100 -1.159 0.000 1.007 296 T CB 1.858 70.428 68.868 -0.497 0.000 1.392 296 T HN 0.661 nan 8.240 nan 0.000 0.500 297 D N 0.361 120.195 120.400 -0.942 0.000 2.335 297 D HA 0.144 4.784 4.640 -0.000 0.000 0.284 297 D C 2.011 178.206 176.300 -0.174 0.000 1.096 297 D CA 0.152 53.845 54.000 -0.511 0.000 0.844 297 D CB 0.428 41.016 40.800 -0.354 0.000 1.454 297 D HN 0.542 nan 8.370 nan 0.000 0.526 298 L N 0.702 121.872 121.223 -0.088 0.000 2.151 298 L HA -0.157 4.183 4.340 -0.000 0.000 0.215 298 L C 0.336 177.424 176.870 0.364 0.000 1.084 298 L CA 1.365 56.308 54.840 0.172 0.000 0.764 298 L CB -0.524 41.691 42.059 0.260 0.000 0.891 298 L HN 0.113 nan 8.230 nan 0.000 0.435 299 H N -1.864 117.135 119.070 -0.117 0.000 2.747 299 H HA 0.410 4.966 4.556 -0.001 0.000 0.371 299 H C -0.779 174.486 175.328 -0.105 0.000 1.161 299 H CA -1.860 54.136 56.048 -0.088 0.000 1.167 299 H CB 0.666 30.389 29.762 -0.066 0.000 1.732 299 H HN -0.173 nan 8.280 nan 0.000 0.544 300 D N 0.513 120.946 120.400 0.056 0.000 2.341 300 D HA 0.207 4.846 4.640 -0.000 0.000 0.245 300 D C -0.079 176.223 176.300 0.005 0.000 1.106 300 D CA -0.247 53.751 54.000 -0.004 0.000 0.905 300 D CB 2.010 42.810 40.800 0.000 0.000 1.202 300 D HN 0.168 nan 8.370 nan 0.000 0.426 301 V N 0.464 120.355 119.914 -0.038 0.000 2.612 301 V HA 0.762 4.882 4.120 -0.000 0.000 0.301 301 V C -0.729 175.413 176.094 0.079 0.000 1.046 301 V CA -0.209 62.091 62.300 0.001 0.000 0.946 301 V CB 1.278 33.040 31.823 -0.102 0.000 1.003 301 V HN 0.702 nan 8.190 nan 0.000 0.459 302 A N 4.063 126.996 122.820 0.189 0.000 2.594 302 A HA 0.905 5.225 4.320 -0.000 0.000 0.291 302 A C -0.512 177.204 177.584 0.220 0.000 1.105 302 A CA -0.139 52.023 52.037 0.208 0.000 0.694 302 A CB 2.193 21.255 19.000 0.103 0.000 1.291 302 A HN 1.097 nan 8.150 nan 0.000 0.410 303 T N -0.317 114.329 114.554 0.153 0.000 2.769 303 T HA 0.509 4.859 4.350 -0.000 0.000 0.306 303 T C -1.385 173.318 174.700 0.006 0.000 1.400 303 T CA -0.665 61.447 62.100 0.019 0.000 1.007 303 T CB 1.093 69.871 68.868 -0.151 0.000 1.392 303 T HN 0.620 nan 8.240 nan 0.000 0.500 304 R N 1.908 122.386 120.500 -0.037 0.000 2.390 304 R HA 0.304 4.643 4.340 -0.000 0.000 0.291 304 R C -1.753 174.527 176.300 -0.033 0.000 1.070 304 R CA -1.928 54.155 56.100 -0.028 0.000 1.014 304 R CB 0.836 31.112 30.300 -0.039 0.000 1.007 304 R HN 0.484 nan 8.270 nan 0.000 0.466 305 P HA -0.202 nan 4.420 nan 0.000 0.217 305 P C 1.269 178.550 177.300 -0.032 0.000 1.151 305 P CA 0.900 63.993 63.100 -0.011 0.000 0.849 305 P CB 0.107 31.806 31.700 -0.002 0.000 0.787 306 I N -0.551 119.994 120.570 -0.041 0.000 2.335 306 I HA -0.265 3.904 4.170 -0.000 0.000 0.251 306 I C 1.978 178.049 176.117 -0.077 0.000 1.129 306 I CA 1.723 62.991 61.300 -0.053 0.000 1.402 306 I CB -0.784 37.184 38.000 -0.052 0.000 1.069 306 I HN -0.072 nan 8.210 nan 0.000 0.424 307 Q N 0.087 119.827 119.800 -0.099 0.000 2.077 307 Q HA -0.191 4.148 4.340 -0.000 0.000 0.206 307 Q C 2.348 178.264 176.000 -0.140 0.000 0.989 307 Q CA 1.954 57.670 55.803 -0.144 0.000 0.853 307 Q CB -0.571 28.044 28.738 -0.206 0.000 0.907 307 Q HN 0.526 nan 8.270 nan 0.000 0.418 308 L N -0.405 120.754 121.223 -0.106 0.000 2.162 308 L HA -0.021 4.319 4.340 -0.000 0.000 0.205 308 L C 2.382 179.223 176.870 -0.048 0.000 1.086 308 L CA 0.357 55.156 54.840 -0.070 0.000 0.778 308 L CB -0.295 41.753 42.059 -0.018 0.000 0.928 308 L HN 0.133 nan 8.230 nan 0.000 0.446 309 I N 0.472 121.016 120.570 -0.043 0.000 2.361 309 I HA -0.237 3.933 4.170 -0.000 0.000 0.251 309 I C 2.417 178.505 176.117 -0.049 0.000 1.133 309 I CA 1.029 62.308 61.300 -0.035 0.000 1.413 309 I CB -0.285 37.698 38.000 -0.029 0.000 1.073 309 I HN 0.187 nan 8.210 nan 0.000 0.424 310 A N 0.149 122.927 122.820 -0.070 0.000 2.235 310 A HA 0.282 4.601 4.320 -0.000 0.000 0.208 310 A C 1.739 179.262 177.584 -0.103 0.000 1.172 310 A CA 0.922 52.906 52.037 -0.088 0.000 0.786 310 A CB -0.508 18.428 19.000 -0.105 0.000 0.804 310 A HN 0.579 nan 8.150 nan 0.000 0.479 311 G N -1.216 107.534 108.800 -0.083 0.000 2.192 311 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.193 311 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.193 311 G C 0.255 175.108 174.900 -0.079 0.000 0.999 311 G CA -0.145 44.909 45.100 -0.076 0.000 0.659 311 G HN 0.544 nan 8.290 nan 0.000 0.503 312 R N 0.545 120.983 120.500 -0.103 0.000 2.531 312 R HA 0.596 4.935 4.340 -0.000 0.000 0.273 312 R C -0.469 175.799 176.300 -0.053 0.000 1.070 312 R CA 0.204 56.239 56.100 -0.109 0.000 1.112 312 R CB 0.863 31.055 30.300 -0.181 0.000 1.049 312 R HN 0.121 nan 8.270 nan 0.000 0.508 313 T N 1.618 116.164 114.554 -0.014 0.000 2.792 313 T HA 0.220 4.569 4.350 -0.000 0.000 0.280 313 T C -1.301 173.490 174.700 0.151 0.000 0.990 313 T CA -0.526 61.616 62.100 0.069 0.000 0.960 313 T CB 0.848 69.766 68.868 0.084 0.000 0.939 313 T HN 0.340 nan 8.240 nan 0.000 0.439 314 W N 4.152 125.459 121.300 0.013 0.000 2.429 314 W HA 0.589 5.248 4.660 -0.001 0.000 0.314 314 W C -0.142 176.390 176.519 0.022 0.000 1.062 314 W CA -1.417 55.936 57.345 0.014 0.000 1.211 314 W CB 0.802 30.263 29.460 0.002 0.000 1.305 314 W HN 0.611 nan 8.180 nan 0.000 0.476 315 K N 2.160 122.725 120.400 0.274 0.000 2.399 315 K HA 0.910 5.230 4.320 -0.000 0.000 0.260 315 K C -0.311 176.310 176.600 0.036 0.000 1.049 315 K CA -1.148 55.204 56.287 0.109 0.000 0.890 315 K CB 2.294 34.864 32.500 0.118 0.000 1.430 315 K HN 0.478 nan 8.250 nan 0.000 0.459 316 G N -0.174 108.632 108.800 0.011 0.000 2.673 316 G HA2 0.530 4.490 3.960 -0.000 0.000 0.292 316 G HA3 0.530 4.490 3.960 -0.000 0.000 0.292 316 G C -1.543 173.364 174.900 0.011 0.000 1.450 316 G CA -0.558 44.543 45.100 0.001 0.000 0.837 316 G HN 0.578 nan 8.290 nan 0.000 0.505 317 S N -0.970 114.747 115.700 0.028 0.000 2.596 317 S HA 0.765 5.235 4.470 -0.000 0.000 0.270 317 S C -0.576 174.060 174.600 0.060 0.000 1.155 317 S CA -0.821 57.395 58.200 0.027 0.000 0.827 317 S CB 1.684 64.889 63.200 0.009 0.000 1.130 317 S HN 1.437 nan 8.310 nan 0.000 0.467 318 M N 0.744 120.387 119.600 0.071 0.000 2.311 318 M HA 0.774 5.254 4.480 -0.000 0.000 0.325 318 M C -0.488 175.963 176.300 0.252 0.000 1.061 318 M CA -0.590 54.797 55.300 0.144 0.000 0.957 318 M CB 0.894 33.550 32.600 0.092 0.000 1.646 318 M HN 0.919 nan 8.290 nan 0.000 0.434 319 F N 3.190 123.239 119.950 0.165 0.000 3.074 319 F HA -0.182 4.345 4.527 -0.001 0.000 0.287 319 F C 1.041 176.957 175.800 0.193 0.000 0.932 319 F CA 1.697 59.804 58.000 0.178 0.000 0.995 319 F CB -1.400 37.556 39.000 -0.073 0.000 0.966 319 F HN 1.241 nan 8.300 nan 0.000 0.721 320 G N 0.278 109.115 108.800 0.062 0.000 2.225 320 G HA2 0.044 4.004 3.960 -0.000 0.000 0.272 320 G HA3 0.044 4.004 3.960 -0.000 0.000 0.272 320 G C 2.318 177.089 174.900 -0.215 0.000 0.996 320 G CA 1.318 46.378 45.100 -0.067 0.000 0.710 320 G HN 2.428 nan 8.290 nan 0.000 0.522 321 G N -2.217 106.530 108.800 -0.088 0.000 2.184 321 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.264 321 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.264 321 G C 0.365 175.204 174.900 -0.101 0.000 0.975 321 G CA 0.433 45.471 45.100 -0.103 0.000 0.642 321 G HN 1.114 nan 8.290 nan 0.000 0.536 322 F N 1.262 121.158 119.950 -0.091 0.000 2.484 322 F HA 0.406 4.933 4.527 -0.000 0.000 0.360 322 F C 1.320 177.169 175.800 0.082 0.000 1.101 322 F CA 0.099 58.059 58.000 -0.067 0.000 1.251 322 F CB 0.807 39.639 39.000 -0.280 0.000 1.132 322 F HN -0.116 nan 8.300 nan 0.000 0.570 323 K N 2.862 123.436 120.400 0.291 0.000 2.250 323 K HA 0.152 4.472 4.320 -0.000 0.000 0.285 323 K C 1.298 178.031 176.600 0.222 0.000 1.097 323 K CA -0.017 56.387 56.287 0.195 0.000 0.913 323 K CB 0.645 33.221 32.500 0.127 0.000 1.179 323 K HN 0.940 nan 8.250 nan 0.000 0.462 324 G N 3.496 112.444 108.800 0.247 0.000 2.649 324 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.220 324 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.220 324 G C 1.160 176.126 174.900 0.110 0.000 1.189 324 G CA 0.945 46.176 45.100 0.219 0.000 0.777 324 G HN 0.573 nan 8.290 nan 0.000 0.602 325 K N 0.237 120.682 120.400 0.076 0.000 2.280 325 K HA -0.049 4.271 4.320 -0.000 0.000 0.202 325 K C 1.777 178.410 176.600 0.055 0.000 1.047 325 K CA 1.299 57.625 56.287 0.066 0.000 0.942 325 K CB 0.019 32.556 32.500 0.062 0.000 0.739 325 K HN 0.396 nan 8.250 nan 0.000 0.457 326 D N -0.732 119.709 120.400 0.068 0.000 2.431 326 D HA -0.009 4.630 4.640 -0.000 0.000 0.235 326 D C 1.983 178.316 176.300 0.055 0.000 0.980 326 D CA 0.755 54.793 54.000 0.063 0.000 0.912 326 D CB 0.029 40.877 40.800 0.079 0.000 1.056 326 D HN 0.242 nan 8.370 nan 0.000 0.494 327 G N 1.441 110.284 108.800 0.071 0.000 2.402 327 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.216 327 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.216 327 G C 1.848 176.556 174.900 -0.321 0.000 1.162 327 G CA 0.519 45.578 45.100 -0.068 0.000 0.777 327 G HN 0.145 nan 8.290 nan 0.000 0.539 328 V N 1.958 121.742 119.914 -0.216 0.000 2.343 328 V HA -0.106 4.014 4.120 -0.000 0.000 0.247 328 V C 0.284 176.311 176.094 -0.112 0.000 1.051 328 V CA 2.116 64.307 62.300 -0.181 0.000 1.036 328 V CB -1.085 30.717 31.823 -0.034 0.000 0.654 328 V HN 0.281 nan 8.190 nan 0.000 0.451 329 P HA -0.129 nan 4.420 nan 0.000 0.217 329 P C 1.578 178.862 177.300 -0.028 0.000 1.150 329 P CA 1.363 64.451 63.100 -0.021 0.000 0.832 329 P CB -0.038 31.662 31.700 -0.000 0.000 0.787 330 K N -1.365 119.010 120.400 -0.042 0.000 2.155 330 K HA 0.002 4.322 4.320 -0.000 0.000 0.203 330 K C 1.983 178.551 176.600 -0.054 0.000 1.052 330 K CA 1.102 57.375 56.287 -0.023 0.000 0.948 330 K CB -0.328 32.181 32.500 0.015 0.000 0.728 330 K HN 0.090 nan 8.250 nan 0.000 0.448 331 M N 0.470 119.986 119.600 -0.139 0.000 2.200 331 M HA -0.089 4.390 4.480 -0.000 0.000 0.265 331 M C 2.238 178.493 176.300 -0.075 0.000 1.066 331 M CA 1.135 56.325 55.300 -0.183 0.000 1.127 331 M CB -0.489 31.904 32.600 -0.344 0.000 1.379 331 M HN -0.069 nan 8.290 nan 0.000 0.420 332 V N 0.642 120.530 119.914 -0.043 0.000 2.295 332 V HA -0.279 3.841 4.120 -0.000 0.000 0.246 332 V C 2.483 178.630 176.094 0.088 0.000 1.049 332 V CA 1.894 64.218 62.300 0.039 0.000 1.024 332 V CB -0.737 31.102 31.823 0.027 0.000 0.648 332 V HN 0.477 nan 8.190 nan 0.000 0.447 333 K N 0.287 120.710 120.400 0.038 0.000 2.097 333 K HA -0.155 4.165 4.320 -0.000 0.000 0.206 333 K C 2.134 178.754 176.600 0.033 0.000 1.049 333 K CA 1.510 57.816 56.287 0.032 0.000 0.933 333 K CB -0.317 32.193 32.500 0.017 0.000 0.717 333 K HN 0.414 nan 8.250 nan 0.000 0.442 334 A N 0.441 123.281 122.820 0.033 0.000 1.902 334 A HA -0.193 4.126 4.320 -0.000 0.000 0.217 334 A C 2.059 179.687 177.584 0.072 0.000 1.181 334 A CA 1.438 53.496 52.037 0.036 0.000 0.623 334 A CB -0.880 18.122 19.000 0.003 0.000 0.818 334 A HN 0.617 nan 8.150 nan 0.000 0.443 335 Y N 0.134 120.416 120.300 -0.030 0.000 2.145 335 Y HA -0.135 4.415 4.550 -0.001 0.000 0.286 335 Y C 1.803 177.706 175.900 0.004 0.000 1.145 335 Y CA 1.590 59.686 58.100 -0.007 0.000 1.148 335 Y CB -0.426 38.029 38.460 -0.009 0.000 0.981 335 Y HN 0.168 nan 8.280 nan 0.000 0.507 336 L N 0.619 121.757 121.223 -0.142 0.000 2.191 336 L HA -0.176 4.164 4.340 -0.000 0.000 0.212 336 L C 1.459 178.236 176.870 -0.155 0.000 1.103 336 L CA 1.680 56.389 54.840 -0.219 0.000 0.769 336 L CB -0.954 41.071 42.059 -0.058 0.000 0.908 336 L HN 0.226 nan 8.230 nan 0.000 0.438 337 D N -0.244 120.107 120.400 -0.080 0.000 2.340 337 D HA -0.015 4.624 4.640 -0.000 0.000 0.220 337 D C 0.703 176.974 176.300 -0.049 0.000 1.039 337 D CA 0.066 54.038 54.000 -0.048 0.000 0.866 337 D CB 0.217 41.010 40.800 -0.011 0.000 0.913 337 D HN 0.049 nan 8.370 nan 0.000 0.523 338 K N -0.675 119.673 120.400 -0.088 0.000 3.341 338 K HA -0.220 4.100 4.320 -0.000 0.000 0.305 338 K C 0.826 177.433 176.600 0.013 0.000 1.270 338 K CA 0.562 56.811 56.287 -0.063 0.000 0.897 338 K CB -2.014 30.451 32.500 -0.059 0.000 1.264 338 K HN 0.337 nan 8.250 nan 0.000 0.468 339 K N 0.148 120.574 120.400 0.043 0.000 2.361 339 K HA 0.133 4.453 4.320 -0.000 0.000 0.196 339 K C 0.672 177.356 176.600 0.139 0.000 1.039 339 K CA 0.515 56.857 56.287 0.091 0.000 1.001 339 K CB 0.670 33.223 32.500 0.088 0.000 0.795 339 K HN -0.041 nan 8.250 nan 0.000 0.495 340 V N 1.976 121.975 119.914 0.141 0.000 2.709 340 V HA 0.200 4.320 4.120 -0.000 0.000 0.308 340 V C -0.661 175.608 176.094 0.291 0.000 1.062 340 V CA -1.087 61.326 62.300 0.189 0.000 0.901 340 V CB 2.048 33.907 31.823 0.060 0.000 1.003 340 V HN 0.044 nan 8.190 nan 0.000 0.425 341 K N 3.507 124.094 120.400 0.311 0.000 2.098 341 K HA 0.670 4.990 4.320 -0.000 0.000 0.261 341 K C -0.121 176.762 176.600 0.471 0.000 0.987 341 K CA -0.426 56.057 56.287 0.326 0.000 0.916 341 K CB 1.724 34.283 32.500 0.099 0.000 1.039 341 K HN 0.504 nan 8.250 nan 0.000 0.455 342 L N 0.619 122.086 121.223 0.407 0.000 2.627 342 L HA -0.004 4.336 4.340 -0.000 0.000 0.253 342 L C 0.842 177.931 176.870 0.366 0.000 1.042 342 L CA 0.148 55.207 54.840 0.364 0.000 1.110 342 L CB 0.228 42.149 42.059 -0.230 0.000 2.151 342 L HN 0.529 nan 8.230 nan 0.000 0.539 343 D N 1.229 121.783 120.400 0.256 0.000 2.133 343 D HA -0.210 4.430 4.640 -0.000 0.000 0.195 343 D C 1.591 178.004 176.300 0.188 0.000 0.997 343 D CA 1.351 55.468 54.000 0.195 0.000 0.840 343 D CB 0.049 40.950 40.800 0.169 0.000 0.947 343 D HN 0.206 nan 8.370 nan 0.000 0.452 344 E N -0.717 119.575 120.200 0.153 0.000 2.333 344 E HA -0.108 4.242 4.350 -0.000 0.000 0.198 344 E C 1.439 178.153 176.600 0.191 0.000 1.007 344 E CA 0.435 56.885 56.400 0.084 0.000 0.845 344 E CB -0.238 29.357 29.700 -0.176 0.000 0.766 344 E HN 0.375 nan 8.360 nan 0.000 0.507 345 F N 0.003 120.126 119.950 0.289 0.000 2.335 345 F HA 0.124 4.650 4.527 -0.001 0.000 0.296 345 F C 0.825 176.703 175.800 0.131 0.000 1.091 345 F CA 0.243 58.361 58.000 0.198 0.000 1.399 345 F CB 0.078 39.155 39.000 0.129 0.000 1.067 345 F HN -0.117 nan 8.300 nan 0.000 0.520 346 I N 1.436 122.179 120.570 0.289 0.000 2.311 346 I HA 0.013 4.183 4.170 -0.000 0.000 0.297 346 I C 1.278 177.475 176.117 0.132 0.000 1.131 346 I CA 0.069 61.480 61.300 0.186 0.000 1.289 346 I CB 0.303 38.384 38.000 0.135 0.000 1.446 346 I HN 0.113 nan 8.210 nan 0.000 0.524 347 T N 0.669 115.313 114.554 0.150 0.000 3.051 347 T HA 0.124 4.474 4.350 -0.000 0.000 0.255 347 T C 0.469 175.082 174.700 -0.145 0.000 1.085 347 T CA 0.484 62.611 62.100 0.045 0.000 1.109 347 T CB -0.057 68.892 68.868 0.136 0.000 0.921 347 T HN 0.506 nan 8.240 nan 0.000 0.488 348 H N -0.207 118.893 119.070 0.050 0.000 2.961 348 H HA 0.787 5.343 4.556 -0.000 0.000 0.371 348 H C -0.745 174.596 175.328 0.022 0.000 1.190 348 H CA -0.871 55.194 56.048 0.030 0.000 1.138 348 H CB 1.591 31.367 29.762 0.023 0.000 1.816 348 H HN 0.039 nan 8.280 nan 0.000 0.551 349 R N 1.961 122.539 120.500 0.130 0.000 2.604 349 R HA 0.678 5.018 4.340 -0.000 0.000 0.281 349 R C -1.230 175.098 176.300 0.045 0.000 1.020 349 R CA -0.887 55.252 56.100 0.066 0.000 0.899 349 R CB 2.277 32.601 30.300 0.040 0.000 1.205 349 R HN 0.761 nan 8.270 nan 0.000 0.450 350 M N -0.132 119.476 119.600 0.013 0.000 2.643 350 M HA 0.547 5.027 4.480 -0.000 0.000 0.276 350 M C -3.038 173.241 176.300 -0.034 0.000 1.200 350 M CA -2.334 52.962 55.300 -0.007 0.000 0.863 350 M CB 2.301 34.897 32.600 -0.008 0.000 1.711 350 M HN 0.155 nan 8.290 nan 0.000 0.492 351 P HA 0.123 nan 4.420 nan 0.000 0.272 351 P C 0.584 177.835 177.300 -0.082 0.000 1.230 351 P CA -0.536 62.534 63.100 -0.050 0.000 0.788 351 P CB 0.533 32.211 31.700 -0.038 0.000 0.949 352 L N 2.129 123.295 121.223 -0.095 0.000 2.129 352 L HA -0.223 4.117 4.340 -0.000 0.000 0.212 352 L C 1.624 178.415 176.870 -0.131 0.000 1.087 352 L CA 2.093 56.848 54.840 -0.141 0.000 0.757 352 L CB -1.124 40.866 42.059 -0.115 0.000 0.896 352 L HN 0.287 nan 8.230 nan 0.000 0.434 353 E N -0.743 119.407 120.200 -0.084 0.000 2.268 353 E HA -0.075 4.274 4.350 -0.000 0.000 0.195 353 E C 1.824 178.384 176.600 -0.068 0.000 0.995 353 E CA 1.099 57.460 56.400 -0.065 0.000 0.836 353 E CB -0.140 29.536 29.700 -0.040 0.000 0.763 353 E HN 0.455 nan 8.360 nan 0.000 0.491 354 S N -0.169 115.484 115.700 -0.078 0.000 2.634 354 S HA 0.043 4.513 4.470 -0.000 0.000 0.221 354 S C 1.655 176.197 174.600 -0.097 0.000 0.952 354 S CA -0.101 58.057 58.200 -0.070 0.000 0.930 354 S CB 0.344 63.512 63.200 -0.053 0.000 0.780 354 S HN 0.124 nan 8.310 nan 0.000 0.498 355 V N 3.195 123.023 119.914 -0.143 0.000 2.370 355 V HA -0.282 3.837 4.120 -0.000 0.000 0.252 355 V C 1.851 177.874 176.094 -0.118 0.000 1.068 355 V CA 1.957 64.137 62.300 -0.200 0.000 1.061 355 V CB -0.465 31.175 31.823 -0.305 0.000 0.656 355 V HN 0.547 nan 8.190 nan 0.000 0.455 356 N N 0.095 118.753 118.700 -0.070 0.000 2.244 356 N HA -0.132 4.608 4.740 -0.000 0.000 0.183 356 N C 1.415 176.912 175.510 -0.022 0.000 1.016 356 N CA 1.695 54.730 53.050 -0.025 0.000 0.866 356 N CB -0.356 38.127 38.487 -0.006 0.000 0.980 356 N HN 0.595 nan 8.380 nan 0.000 0.430 357 D N 1.010 121.383 120.400 -0.045 0.000 2.149 357 D HA -0.014 4.625 4.640 -0.000 0.000 0.201 357 D C 1.868 178.124 176.300 -0.072 0.000 0.972 357 D CA 0.668 54.636 54.000 -0.054 0.000 0.835 357 D CB -0.221 40.548 40.800 -0.051 0.000 0.966 357 D HN 0.187 nan 8.370 nan 0.000 0.476 358 A N 0.700 123.472 122.820 -0.079 0.000 1.930 358 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 358 A C 2.313 179.864 177.584 -0.056 0.000 1.175 358 A CA 0.695 52.677 52.037 -0.092 0.000 0.627 358 A CB -0.631 18.308 19.000 -0.102 0.000 0.815 358 A HN 0.173 nan 8.150 nan 0.000 0.443 359 I N -0.488 120.072 120.570 -0.017 0.000 2.394 359 I HA -0.218 3.951 4.170 -0.000 0.000 0.251 359 I C 2.167 178.341 176.117 0.095 0.000 1.136 359 I CA 1.786 63.118 61.300 0.055 0.000 1.425 359 I CB -0.337 37.719 38.000 0.092 0.000 1.079 359 I HN 0.355 nan 8.210 nan 0.000 0.425 360 D N 0.938 121.371 120.400 0.055 0.000 2.123 360 D HA -0.126 4.514 4.640 -0.000 0.000 0.200 360 D C 2.282 178.601 176.300 0.033 0.000 0.976 360 D CA 1.087 55.119 54.000 0.054 0.000 0.831 360 D CB 0.076 40.846 40.800 -0.051 0.000 0.974 360 D HN 0.162 nan 8.370 nan 0.000 0.469 361 L N -0.340 120.850 121.223 -0.055 0.000 2.017 361 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 361 L C 2.473 179.351 176.870 0.014 0.000 1.073 361 L CA 1.049 55.840 54.840 -0.082 0.000 0.745 361 L CB -0.417 41.497 42.059 -0.241 0.000 0.894 361 L HN 0.177 nan 8.230 nan 0.000 0.432 362 M N 0.046 119.643 119.600 -0.005 0.000 2.080 362 M HA -0.254 4.225 4.480 -0.000 0.000 0.260 362 M C 2.301 178.630 176.300 0.049 0.000 1.068 362 M CA 1.821 57.114 55.300 -0.012 0.000 1.109 362 M CB -0.267 32.262 32.600 -0.119 0.000 1.342 362 M HN -0.003 nan 8.290 nan 0.000 0.405 363 K N -1.329 119.132 120.400 0.102 0.000 2.103 363 K HA -0.215 4.104 4.320 -0.000 0.000 0.207 363 K C 0.692 177.333 176.600 0.068 0.000 1.048 363 K CA 1.742 58.093 56.287 0.106 0.000 0.930 363 K CB -0.160 32.415 32.500 0.126 0.000 0.716 363 K HN 0.490 nan 8.250 nan 0.000 0.444 364 H N -1.192 117.887 119.070 0.014 0.000 2.519 364 H HA 0.242 4.797 4.556 -0.000 0.000 0.289 364 H C 0.452 175.806 175.328 0.043 0.000 1.040 364 H CA 0.368 56.427 56.048 0.018 0.000 1.165 364 H CB 0.696 30.459 29.762 0.001 0.000 1.462 364 H HN 0.430 nan 8.280 nan 0.000 0.555 365 G N 1.485 110.385 108.800 0.167 0.000 2.356 365 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.296 365 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.296 365 G C 0.807 175.782 174.900 0.124 0.000 1.022 365 G CA 0.600 45.791 45.100 0.151 0.000 0.961 365 G HN 0.492 nan 8.290 nan 0.000 0.510 366 K N -0.973 119.493 120.400 0.109 0.000 2.387 366 K HA 0.379 4.698 4.320 -0.000 0.000 0.198 366 K C 1.102 177.774 176.600 0.120 0.000 1.022 366 K CA 0.554 56.895 56.287 0.090 0.000 1.128 366 K CB 0.149 32.674 32.500 0.042 0.000 0.853 366 K HN 0.849 nan 8.250 nan 0.000 0.523 367 C N -3.259 116.115 119.300 0.124 0.000 3.320 367 C HA 0.464 4.924 4.460 -0.000 0.000 0.335 367 C C 0.939 176.040 174.990 0.185 0.000 1.430 367 C CA -1.126 58.010 59.018 0.196 0.000 1.271 367 C CB 0.324 28.137 27.740 0.123 0.000 1.609 367 C HN -0.094 nan 8.230 nan 0.000 0.457 368 I N 0.292 120.990 120.570 0.214 0.000 2.956 368 I HA 0.306 4.475 4.170 -0.000 0.000 0.233 368 I C 1.058 177.299 176.117 0.208 0.000 1.054 368 I CA 1.052 62.481 61.300 0.214 0.000 1.456 368 I CB -0.717 37.427 38.000 0.240 0.000 1.297 368 I HN 0.620 nan 8.210 nan 0.000 0.448 369 R N 0.333 120.962 120.500 0.215 0.000 2.750 369 R HA 0.541 4.881 4.340 -0.000 0.000 0.281 369 R C -1.081 175.313 176.300 0.157 0.000 0.972 369 R CA -0.403 55.793 56.100 0.159 0.000 0.912 369 R CB 1.892 32.274 30.300 0.136 0.000 1.187 369 R HN 0.093 nan 8.270 nan 0.000 0.464 370 T N 1.396 116.008 114.554 0.097 0.000 2.809 370 T HA 0.400 4.749 4.350 -0.000 0.000 0.284 370 T C -0.522 174.207 174.700 0.048 0.000 0.992 370 T CA -0.439 61.711 62.100 0.084 0.000 0.957 370 T CB 1.645 70.522 68.868 0.014 0.000 0.942 370 T HN 0.103 nan 8.240 nan 0.000 0.439 371 V N 5.475 125.420 119.914 0.051 0.000 2.435 371 V HA 0.504 4.624 4.120 -0.000 0.000 0.290 371 V C -0.112 175.981 176.094 -0.000 0.000 1.030 371 V CA -0.779 61.535 62.300 0.024 0.000 0.881 371 V CB 1.317 33.158 31.823 0.030 0.000 0.983 371 V HN 0.710 nan 8.190 nan 0.000 0.445 372 L N 4.055 125.261 121.223 -0.029 0.000 2.344 372 L HA 0.652 4.992 4.340 -0.000 0.000 0.272 372 L C 0.396 177.240 176.870 -0.043 0.000 1.035 372 L CA -0.332 54.472 54.840 -0.061 0.000 0.807 372 L CB 2.072 44.046 42.059 -0.141 0.000 1.237 372 L HN 0.744 nan 8.230 nan 0.000 0.442 373 S N 1.726 117.400 115.700 -0.045 0.000 2.565 373 S HA 0.843 5.313 4.470 -0.000 0.000 0.290 373 S C -0.607 173.964 174.600 -0.048 0.000 1.150 373 S CA -0.802 57.377 58.200 -0.036 0.000 1.058 373 S CB 1.852 65.037 63.200 -0.026 0.000 1.032 373 S HN 0.324 nan 8.310 nan 0.000 0.510 374 L N 0.000 121.195 121.223 -0.046 0.000 2.949 374 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 374 L CA 0.000 54.809 54.840 -0.052 0.000 0.813 374 L CB 0.000 42.026 42.059 -0.055 0.000 0.961 374 L HN 0.000 nan 8.230 nan 0.000 0.502