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 2wpf_1_A DATA FIRST_RESID -1 DATA SEQUENCE SHMSKAFDLV VIGAGSGGLE AGWNAATLYG KRVAVVDVQT SHGPPFYAAL DATA SEQUENCE GGTcVNVGcV PKKLMVTGAQ YMDHLRESAG FGWEFDGSSV KANWKKLIAA DATA SEQUENCE KNEAVLDINK SYEGMFNDTE GLDFFLGWGS LESKNVVVVR ETADPKSAVK DATA SEQUENCE ERLQADHILL ATGSWPQMPA IPGIEHCISS NEAFYLPEPP RRVLTVGGGF DATA SEQUENCE ISVEFAGIFN AYKPPGGKVT LCYRNNLILR GFDETIREEV TKQLTANGIE DATA SEQUENCE IMTNENPAKV SLNTDGSKHV TFESGKTLDV DVVMMAIGRI PRTNDLQLGN DATA SEQUENCE VGVKLTPKGG VQVDEFSRTN VPNIYAIGDI TDRLMLTPVA INEGAALVDT DATA SEQUENCE VFGNKPRKTD HTRVASAVFS IPPIGTCGLI EEVAAKEFEK VAVYMSSFTP DATA SEQUENCE LMHNISGSKY KKFVAKIVTN HSDGTVLGVH LLGDGAPEII QAVGVCLRLN DATA SEQUENCE AKISDFYNTI GVHPTSAEEL CSMRTPSYYY VKGEKMEKLP 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 S HA 0.000 nan 4.470 nan 0.000 0.327 -1 S C 0.000 174.335 174.600 -0.442 0.000 1.055 -1 S CA 0.000 57.992 58.200 -0.347 0.000 1.107 -1 S CB 0.000 63.139 63.200 -0.101 0.000 0.593 0 H N 2.681 121.763 119.070 0.020 0.000 2.581 0 H HA 0.384 4.939 4.556 -0.001 0.000 0.275 0 H C -0.170 175.164 175.328 0.010 0.000 1.126 0 H CA -0.008 56.050 56.048 0.016 0.000 1.097 0 H CB 0.206 29.976 29.762 0.012 0.000 1.626 0 H HN 0.431 nan 8.280 nan 0.000 0.565 1 M N 1.194 120.827 119.600 0.056 0.000 2.423 1 M HA 0.228 4.708 4.480 -0.001 0.000 0.335 1 M C 0.860 177.169 176.300 0.014 0.000 1.177 1 M CA -0.660 54.661 55.300 0.034 0.000 1.038 1 M CB 1.943 34.555 32.600 0.019 0.000 1.641 1 M HN 0.042 nan 8.290 nan 0.000 0.455 2 S N 2.150 117.853 115.700 0.004 0.000 2.596 2 S HA 0.319 4.789 4.470 -0.001 0.000 0.260 2 S C -0.418 174.169 174.600 -0.022 0.000 1.336 2 S CA -0.447 57.747 58.200 -0.011 0.000 0.993 2 S CB 0.654 63.844 63.200 -0.016 0.000 0.923 2 S HN 0.585 nan 8.310 nan 0.000 0.567 3 K N 0.475 120.864 120.400 -0.018 0.000 2.259 3 K HA 0.750 5.069 4.320 -0.001 0.000 0.249 3 K C -0.650 175.822 176.600 -0.214 0.000 0.942 3 K CA -0.746 55.485 56.287 -0.094 0.000 0.816 3 K CB 2.027 34.578 32.500 0.085 0.000 1.155 3 K HN 0.777 nan 8.250 nan 0.000 0.428 4 A N 2.274 124.776 122.820 -0.531 0.000 2.340 4 A HA 0.888 5.207 4.320 -0.001 0.000 0.331 4 A C -1.225 175.836 177.584 -0.872 0.000 1.140 4 A CA -0.580 51.212 52.037 -0.409 0.000 0.801 4 A CB 0.566 19.434 19.000 -0.220 0.000 1.234 4 A HN 0.572 nan 8.150 nan 0.000 0.469 5 F N -0.490 119.476 119.950 0.027 0.000 2.662 5 F HA 0.346 4.872 4.527 -0.001 0.000 0.312 5 F C 0.678 176.522 175.800 0.073 0.000 1.113 5 F CA -0.696 57.334 58.000 0.050 0.000 0.951 5 F CB 1.800 40.839 39.000 0.066 0.000 1.344 5 F HN 0.607 nan 8.300 nan 0.000 0.462 6 D N 0.428 120.975 120.400 0.245 0.000 2.183 6 D HA 0.009 4.649 4.640 -0.001 0.000 0.203 6 D C -0.090 176.451 176.300 0.401 0.000 0.969 6 D CA 1.529 55.683 54.000 0.256 0.000 0.842 6 D CB 0.537 41.373 40.800 0.059 0.000 0.957 6 D HN 0.143 nan 8.370 nan 0.000 0.484 7 L N 0.575 121.995 121.223 0.329 0.000 2.436 7 L HA 0.341 4.681 4.340 -0.001 0.000 0.268 7 L C -1.400 175.602 176.870 0.221 0.000 0.974 7 L CA -0.673 54.376 54.840 0.349 0.000 0.826 7 L CB 2.427 44.675 42.059 0.315 0.000 1.291 7 L HN -0.368 nan 8.230 nan 0.000 0.406 8 V N 5.452 125.472 119.914 0.177 0.000 2.417 8 V HA 0.595 4.715 4.120 -0.001 0.000 0.291 8 V C -0.477 175.664 176.094 0.079 0.000 1.024 8 V CA -0.660 61.657 62.300 0.028 0.000 0.861 8 V CB 1.901 33.709 31.823 -0.024 0.000 0.985 8 V HN 0.542 nan 8.190 nan 0.000 0.436 9 V N 6.282 126.230 119.914 0.058 0.000 2.435 9 V HA 0.495 4.614 4.120 -0.001 0.000 0.290 9 V C -0.097 176.030 176.094 0.055 0.000 1.030 9 V CA -0.449 61.910 62.300 0.098 0.000 0.881 9 V CB 1.807 33.711 31.823 0.136 0.000 0.983 9 V HN 0.659 nan 8.190 nan 0.000 0.445 10 I N 4.395 124.999 120.570 0.057 0.000 2.328 10 I HA 0.693 4.863 4.170 -0.001 0.000 0.287 10 I C 0.630 176.772 176.117 0.041 0.000 1.012 10 I CA -0.131 61.181 61.300 0.021 0.000 1.195 10 I CB 1.267 39.275 38.000 0.014 0.000 1.350 10 I HN 0.887 nan 8.210 nan 0.000 0.464 11 G N 4.518 113.339 108.800 0.035 0.000 3.435 11 G HA2 0.086 4.045 3.960 -0.001 0.000 0.683 11 G HA3 0.086 4.045 3.960 -0.001 0.000 0.683 11 G C -0.274 174.697 174.900 0.119 0.000 1.189 11 G CA -0.399 44.736 45.100 0.059 0.000 1.069 11 G HN 0.897 nan 8.290 nan 0.000 0.508 12 A N 1.692 124.607 122.820 0.159 0.000 3.197 12 A HA 0.743 5.063 4.320 -0.001 0.000 0.263 12 A C 1.367 179.046 177.584 0.159 0.000 1.524 12 A CA 1.180 53.347 52.037 0.218 0.000 1.176 12 A CB -0.312 18.886 19.000 0.330 0.000 1.096 12 A HN 1.981 nan 8.150 nan 0.000 0.655 13 G N -0.936 107.942 108.800 0.129 0.000 2.857 13 G HA2 0.398 4.357 3.960 -0.001 0.000 0.217 13 G HA3 0.398 4.357 3.960 -0.001 0.000 0.217 13 G C 1.025 175.975 174.900 0.084 0.000 1.357 13 G CA 0.448 45.617 45.100 0.115 0.000 1.033 13 G HN 0.242 nan 8.290 nan 0.000 0.571 14 S N -0.348 115.402 115.700 0.083 0.000 2.359 14 S HA -0.112 4.358 4.470 -0.001 0.000 0.224 14 S C 2.416 177.047 174.600 0.052 0.000 1.035 14 S CA 1.699 59.933 58.200 0.056 0.000 1.018 14 S CB -0.575 62.664 63.200 0.065 0.000 0.876 14 S HN 0.766 nan 8.310 nan 0.000 0.448 15 G N 1.029 109.874 108.800 0.075 0.000 2.394 15 G HA2 0.076 4.035 3.960 -0.001 0.000 0.214 15 G HA3 0.076 4.035 3.960 -0.001 0.000 0.214 15 G C 1.452 176.407 174.900 0.092 0.000 1.176 15 G CA 0.749 45.898 45.100 0.081 0.000 0.786 15 G HN 0.552 nan 8.290 nan 0.000 0.533 16 G N 0.990 109.852 108.800 0.103 0.000 2.446 16 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.217 16 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.217 16 G C 1.803 176.781 174.900 0.130 0.000 1.168 16 G CA 0.752 45.928 45.100 0.126 0.000 0.771 16 G HN 0.398 nan 8.290 nan 0.000 0.551 17 L N 0.022 121.298 121.223 0.088 0.000 2.093 17 L HA 0.005 4.344 4.340 -0.001 0.000 0.208 17 L C 2.765 179.662 176.870 0.047 0.000 1.085 17 L CA 1.363 56.223 54.840 0.034 0.000 0.755 17 L CB -0.270 41.709 42.059 -0.134 0.000 0.904 17 L HN 0.293 nan 8.230 nan 0.000 0.435 18 E N 0.661 120.886 120.200 0.043 0.000 2.047 18 E HA -0.200 4.150 4.350 -0.001 0.000 0.191 18 E C 2.131 178.823 176.600 0.153 0.000 0.987 18 E CA 1.540 57.986 56.400 0.077 0.000 0.799 18 E CB -0.073 29.659 29.700 0.052 0.000 0.752 18 E HN 0.345 nan 8.360 nan 0.000 0.449 19 A N 0.367 123.270 122.820 0.138 0.000 1.877 19 A HA -0.046 4.274 4.320 -0.001 0.000 0.216 19 A C 2.498 180.186 177.584 0.174 0.000 1.186 19 A CA 1.886 54.018 52.037 0.158 0.000 0.620 19 A CB -1.489 17.599 19.000 0.146 0.000 0.822 19 A HN 0.434 nan 8.150 nan 0.000 0.443 20 G N -1.308 107.598 108.800 0.176 0.000 2.459 20 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.217 20 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.217 20 G C 1.553 176.541 174.900 0.148 0.000 1.183 20 G CA 0.988 46.194 45.100 0.176 0.000 0.776 20 G HN 0.686 nan 8.290 nan 0.000 0.552 21 W N 1.719 122.992 121.300 -0.045 0.000 2.335 21 W HA -0.140 4.520 4.660 -0.001 0.000 0.311 21 W C 2.041 178.521 176.519 -0.064 0.000 1.213 21 W CA 1.530 58.817 57.345 -0.097 0.000 1.274 21 W CB -0.255 29.114 29.460 -0.152 0.000 1.148 21 W HN 0.178 nan 8.180 nan 0.000 0.498 22 N N 0.879 119.635 118.700 0.093 0.000 2.106 22 N HA -0.129 4.610 4.740 -0.001 0.000 0.188 22 N C 2.000 177.464 175.510 -0.076 0.000 1.029 22 N CA 2.437 55.469 53.050 -0.030 0.000 0.848 22 N CB -1.201 37.366 38.487 0.134 0.000 1.007 22 N HN 0.166 nan 8.380 nan 0.000 0.423 23 A N 0.848 123.701 122.820 0.055 0.000 1.883 23 A HA -0.071 4.248 4.320 -0.001 0.000 0.217 23 A C 2.320 179.835 177.584 -0.116 0.000 1.186 23 A CA 2.252 54.316 52.037 0.045 0.000 0.624 23 A CB -1.070 17.909 19.000 -0.034 0.000 0.822 23 A HN 0.334 nan 8.150 nan 0.000 0.444 24 A N -0.790 121.923 122.820 -0.177 0.000 1.855 24 A HA -0.062 4.258 4.320 -0.001 0.000 0.215 24 A C 2.456 179.838 177.584 -0.337 0.000 1.191 24 A CA 2.649 54.553 52.037 -0.223 0.000 0.613 24 A CB -1.189 17.688 19.000 -0.205 0.000 0.829 24 A HN 0.799 nan 8.150 nan 0.000 0.442 25 T N -2.488 111.729 114.554 -0.562 0.000 3.044 25 T HA 0.200 4.549 4.350 -0.001 0.000 0.255 25 T C 1.728 176.142 174.700 -0.476 0.000 1.073 25 T CA 0.935 62.657 62.100 -0.630 0.000 1.125 25 T CB -0.311 67.898 68.868 -1.097 0.000 0.908 25 T HN 0.255 nan 8.240 nan 0.000 0.480 26 L N -1.427 119.484 121.223 -0.519 0.000 2.249 26 L HA 0.257 4.597 4.340 -0.001 0.000 0.207 26 L C 1.566 178.017 176.870 -0.698 0.000 1.090 26 L CA 0.828 55.279 54.840 -0.649 0.000 0.802 26 L CB -0.321 41.179 42.059 -0.931 0.000 0.947 26 L HN 0.197 nan 8.230 nan 0.000 0.453 27 Y N -0.223 120.003 120.300 -0.123 0.000 2.557 27 Y HA 0.390 4.939 4.550 -0.001 0.000 0.247 27 Y C 1.616 177.441 175.900 -0.124 0.000 1.164 27 Y CA -0.330 57.714 58.100 -0.094 0.000 1.218 27 Y CB 0.162 38.593 38.460 -0.048 0.000 1.210 27 Y HN 0.176 nan 8.280 nan 0.000 0.529 28 G N 0.902 109.669 108.800 -0.056 0.000 2.225 28 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.267 28 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.267 28 G C 0.252 175.103 174.900 -0.083 0.000 1.024 28 G CA 0.060 45.119 45.100 -0.067 0.000 0.784 28 G HN 0.107 nan 8.290 nan 0.000 0.507 29 K N -0.287 120.025 120.400 -0.146 0.000 2.126 29 K HA 0.402 4.722 4.320 -0.001 0.000 0.257 29 K C 0.777 177.318 176.600 -0.098 0.000 1.007 29 K CA -0.536 55.619 56.287 -0.220 0.000 0.928 29 K CB 0.865 33.014 32.500 -0.584 0.000 1.013 29 K HN 0.307 nan 8.250 nan 0.000 0.473 30 R N 0.885 121.369 120.500 -0.027 0.000 2.229 30 R HA 0.356 4.696 4.340 -0.001 0.000 0.328 30 R C -0.635 175.829 176.300 0.273 0.000 1.009 30 R CA -0.483 55.690 56.100 0.123 0.000 0.864 30 R CB 0.972 31.318 30.300 0.078 0.000 1.085 30 R HN 0.213 nan 8.270 nan 0.000 0.453 31 V N 2.010 122.117 119.914 0.321 0.000 2.709 31 V HA 0.670 4.789 4.120 -0.001 0.000 0.308 31 V C -0.494 175.656 176.094 0.094 0.000 1.062 31 V CA -0.930 61.496 62.300 0.209 0.000 0.901 31 V CB 1.971 33.868 31.823 0.124 0.000 1.003 31 V HN 0.879 nan 8.190 nan 0.000 0.425 32 A N 3.701 126.353 122.820 -0.279 0.000 2.350 32 A HA 0.943 5.262 4.320 -0.001 0.000 0.324 32 A C -1.062 176.455 177.584 -0.112 0.000 1.118 32 A CA -0.598 51.162 52.037 -0.461 0.000 0.783 32 A CB 1.799 19.985 19.000 -1.357 0.000 1.236 32 A HN 0.727 nan 8.150 nan 0.000 0.457 33 V N 2.133 122.049 119.914 0.003 0.000 2.656 33 V HA 0.551 4.671 4.120 -0.001 0.000 0.307 33 V C -0.537 175.513 176.094 -0.074 0.000 1.051 33 V CA -0.549 61.787 62.300 0.059 0.000 0.893 33 V CB 1.744 33.742 31.823 0.290 0.000 0.999 33 V HN 0.706 nan 8.190 nan 0.000 0.426 34 V N 3.161 123.029 119.914 -0.076 0.000 2.555 34 V HA 0.677 4.796 4.120 -0.001 0.000 0.302 34 V C -0.544 175.489 176.094 -0.100 0.000 1.038 34 V CA -0.369 61.803 62.300 -0.213 0.000 0.887 34 V CB 1.853 33.573 31.823 -0.172 0.000 0.991 34 V HN 0.942 nan 8.190 nan 0.000 0.434 35 D N 1.254 121.582 120.400 -0.121 0.000 2.626 35 D HA 0.384 5.024 4.640 -0.001 0.000 0.278 35 D C 0.421 176.629 176.300 -0.153 0.000 1.211 35 D CA -0.244 53.749 54.000 -0.011 0.000 0.903 35 D CB 2.965 43.929 40.800 0.274 0.000 1.408 35 D HN 0.394 nan 8.370 nan 0.000 0.454 36 V N -1.157 118.567 119.914 -0.316 0.000 3.506 36 V HA 0.323 4.443 4.120 -0.001 0.000 0.263 36 V C 0.452 176.502 176.094 -0.073 0.000 1.203 36 V CA 0.747 62.713 62.300 -0.557 0.000 1.133 36 V CB 0.144 31.145 31.823 -1.370 0.000 0.802 36 V HN 0.440 nan 8.190 nan 0.000 0.459 37 Q N -0.345 119.509 119.800 0.090 0.000 2.426 37 Q HA 0.361 4.700 4.340 -0.001 0.000 0.278 37 Q C 0.568 176.654 176.000 0.143 0.000 1.007 37 Q CA 0.393 56.297 55.803 0.167 0.000 0.850 37 Q CB 2.307 31.169 28.738 0.208 0.000 1.427 37 Q HN 0.411 nan 8.270 nan 0.000 0.391 38 T N -2.055 112.558 114.554 0.097 0.000 3.009 38 T HA 0.155 4.504 4.350 -0.001 0.000 0.258 38 T C 0.749 175.443 174.700 -0.010 0.000 1.063 38 T CA 0.906 63.004 62.100 -0.003 0.000 1.139 38 T CB 0.055 68.928 68.868 0.008 0.000 0.890 38 T HN 0.480 nan 8.240 nan 0.000 0.471 39 S N 0.787 116.492 115.700 0.009 0.000 2.697 39 S HA 0.543 5.012 4.470 -0.001 0.000 0.289 39 S C -0.504 174.095 174.600 -0.002 0.000 1.149 39 S CA -1.126 57.087 58.200 0.022 0.000 0.850 39 S CB 0.892 64.095 63.200 0.006 0.000 1.151 39 S HN 0.758 nan 8.310 nan 0.000 0.491 40 H N -0.623 118.458 119.070 0.019 0.000 2.836 40 H HA 0.637 5.192 4.556 -0.001 0.000 0.368 40 H C 0.770 176.093 175.328 -0.008 0.000 1.164 40 H CA 0.267 56.349 56.048 0.058 0.000 1.425 40 H CB -0.235 29.597 29.762 0.117 0.000 1.414 40 H HN 1.523 nan 8.280 nan 0.000 0.614 41 G N 0.690 109.442 108.800 -0.080 0.000 2.422 41 G HA2 -0.083 3.876 3.960 -0.001 0.000 0.607 41 G HA3 -0.083 3.876 3.960 -0.001 0.000 0.607 41 G C -3.000 171.390 174.900 -0.849 0.000 1.270 41 G CA -0.838 43.900 45.100 -0.603 0.000 0.992 41 G HN 0.773 nan 8.290 nan 0.000 0.499 42 P HA 0.195 nan 4.420 nan 0.000 0.267 42 P C -1.597 175.321 177.300 -0.637 0.000 1.200 42 P CA -0.551 61.932 63.100 -1.029 0.000 0.772 42 P CB 0.441 31.753 31.700 -0.647 0.000 0.855 43 P HA 0.088 nan 4.420 nan 0.000 0.239 43 P C 0.393 177.400 177.300 -0.489 0.000 1.188 43 P CA 1.026 63.718 63.100 -0.680 0.000 0.794 43 P CB 0.181 31.365 31.700 -0.860 0.000 0.937 44 F N -2.828 117.075 119.950 -0.079 0.000 2.706 44 F HA 0.241 4.768 4.527 -0.001 0.000 0.308 44 F C 1.198 177.271 175.800 0.455 0.000 1.095 44 F CA -0.519 57.636 58.000 0.258 0.000 1.244 44 F CB -0.352 38.763 39.000 0.192 0.000 1.063 44 F HN -0.266 nan 8.300 nan 0.000 0.582 45 Y N -1.233 119.271 120.300 0.339 0.000 2.762 45 Y HA -0.368 4.182 4.550 -0.001 0.000 0.475 45 Y C 1.573 177.631 175.900 0.263 0.000 1.163 45 Y CA 0.071 58.331 58.100 0.268 0.000 2.761 45 Y CB -1.941 36.693 38.460 0.290 0.000 1.095 45 Y HN -0.016 nan 8.280 nan 0.000 0.592 46 A N 1.788 124.895 122.820 0.478 0.000 2.406 46 A HA 0.681 5.001 4.320 -0.001 0.000 0.243 46 A C 0.567 178.296 177.584 0.242 0.000 1.082 46 A CA 0.927 53.157 52.037 0.322 0.000 0.786 46 A CB 0.224 19.431 19.000 0.344 0.000 1.029 46 A HN 1.495 nan 8.150 nan 0.000 0.495 47 A N 0.039 122.966 122.820 0.177 0.000 2.806 47 A HA 0.565 4.884 4.320 -0.001 0.000 0.310 47 A C -0.794 176.864 177.584 0.125 0.000 1.169 47 A CA -0.556 51.562 52.037 0.135 0.000 0.621 47 A CB -0.274 18.799 19.000 0.122 0.000 1.412 47 A HN 1.821 nan 8.150 nan 0.000 0.576 48 L N 1.208 122.482 121.223 0.086 0.000 2.667 48 L HA 0.399 4.738 4.340 -0.001 0.000 0.278 48 L C 1.351 178.345 176.870 0.207 0.000 1.217 48 L CA 2.695 57.586 54.840 0.086 0.000 0.935 48 L CB -0.222 41.786 42.059 -0.085 0.000 1.193 48 L HN 2.144 nan 8.230 nan 0.000 0.493 49 G N 2.013 110.976 108.800 0.271 0.000 2.213 49 G HA2 0.089 4.048 3.960 -0.001 0.000 0.226 49 G HA3 0.089 4.048 3.960 -0.001 0.000 0.226 49 G C 1.145 176.164 174.900 0.199 0.000 0.992 49 G CA 0.216 45.528 45.100 0.353 0.000 0.632 49 G HN 2.032 nan 8.290 nan 0.000 0.511 50 G N -1.440 107.458 108.800 0.163 0.000 2.568 50 G HA2 0.073 4.033 3.960 -0.001 0.000 0.222 50 G HA3 0.073 4.033 3.960 -0.001 0.000 0.222 50 G C 0.742 175.725 174.900 0.138 0.000 1.321 50 G CA 0.882 46.069 45.100 0.145 0.000 0.893 50 G HN 1.206 nan 8.290 nan 0.000 0.569 51 T N -0.483 114.155 114.554 0.140 0.000 2.851 51 T HA -0.071 4.279 4.350 -0.001 0.000 0.262 51 T C 2.451 177.198 174.700 0.077 0.000 1.043 51 T CA 2.287 64.467 62.100 0.133 0.000 1.140 51 T CB -0.543 68.423 68.868 0.164 0.000 0.872 51 T HN 0.976 nan 8.240 nan 0.000 0.446 52 c N 1.362 120.013 118.600 0.086 0.000 2.393 52 c HA -0.107 4.462 4.570 -0.001 0.000 0.276 52 c C 2.742 176.831 174.090 -0.001 0.000 1.215 52 c CA 0.922 57.285 56.329 0.057 0.000 1.743 52 c CB -1.211 41.341 42.510 0.069 0.000 2.044 52 c HN 0.373 nan 8.230 nan 0.000 0.464 53 V N 1.636 121.560 119.914 0.016 0.000 2.332 53 V HA -0.193 3.927 4.120 -0.001 0.000 0.248 53 V C 2.268 178.302 176.094 -0.101 0.000 1.055 53 V CA 2.486 64.765 62.300 -0.035 0.000 1.038 53 V CB -0.658 31.177 31.823 0.019 0.000 0.651 53 V HN 0.609 nan 8.190 nan 0.000 0.450 54 N N -0.223 118.443 118.700 -0.057 0.000 2.439 54 N HA 0.042 4.782 4.740 -0.001 0.000 0.176 54 N C 0.862 176.240 175.510 -0.221 0.000 1.029 54 N CA 1.542 54.562 53.050 -0.050 0.000 0.886 54 N CB 1.259 39.814 38.487 0.114 0.000 1.057 54 N HN 0.530 nan 8.380 nan 0.000 0.437 55 V N -2.835 116.915 119.914 -0.273 0.000 3.342 55 V HA 0.698 4.818 4.120 -0.001 0.000 0.494 55 V C 0.133 176.020 176.094 -0.345 0.000 1.598 55 V CA -0.435 61.490 62.300 -0.624 0.000 1.948 55 V CB 0.565 32.354 31.823 -0.058 0.000 1.274 55 V HN 0.156 nan 8.190 nan 0.000 0.650 56 G N -0.213 108.447 108.800 -0.234 0.000 2.933 56 G HA2 0.324 4.283 3.960 -0.001 0.000 0.203 56 G HA3 0.324 4.283 3.960 -0.001 0.000 0.203 56 G C 0.750 175.691 174.900 0.068 0.000 1.170 56 G CA 0.541 45.685 45.100 0.073 0.000 0.880 56 G HN 0.337 nan 8.290 nan 0.000 0.573 57 c N -0.095 118.556 118.600 0.085 0.000 2.398 57 c HA -0.012 4.557 4.570 -0.001 0.000 0.276 57 c C 2.817 176.877 174.090 -0.050 0.000 1.222 57 c CA 1.006 57.368 56.329 0.055 0.000 1.746 57 c CB -1.563 40.981 42.510 0.057 0.000 2.039 57 c HN 0.310 nan 8.230 nan 0.000 0.470 58 V N 3.047 122.914 119.914 -0.079 0.000 2.220 58 V HA -0.166 3.954 4.120 -0.001 0.000 0.246 58 V C 0.371 176.369 176.094 -0.159 0.000 1.049 58 V CA 2.858 65.080 62.300 -0.130 0.000 1.003 58 V CB -1.950 29.796 31.823 -0.129 0.000 0.634 58 V HN 0.419 nan 8.190 nan 0.000 0.444 59 P HA -0.127 nan 4.420 nan 0.000 0.225 59 P C 1.327 178.624 177.300 -0.005 0.000 1.156 59 P CA 1.391 64.393 63.100 -0.164 0.000 0.787 59 P CB 0.000 31.503 31.700 -0.328 0.000 0.802 60 K N 1.416 121.868 120.400 0.086 0.000 2.097 60 K HA -0.157 4.162 4.320 -0.001 0.000 0.205 60 K C 2.157 178.650 176.600 -0.178 0.000 1.050 60 K CA 1.671 57.969 56.287 0.017 0.000 0.938 60 K CB -0.905 31.643 32.500 0.080 0.000 0.718 60 K HN -0.127 nan 8.250 nan 0.000 0.442 61 K N 1.047 121.309 120.400 -0.229 0.000 2.097 61 K HA 0.046 4.366 4.320 -0.001 0.000 0.205 61 K C 1.877 178.307 176.600 -0.283 0.000 1.050 61 K CA 1.314 57.361 56.287 -0.399 0.000 0.938 61 K CB -0.339 31.839 32.500 -0.536 0.000 0.718 61 K HN 0.309 nan 8.250 nan 0.000 0.442 62 L N -0.119 120.980 121.223 -0.206 0.000 2.046 62 L HA -0.151 4.188 4.340 -0.001 0.000 0.208 62 L C 2.487 179.272 176.870 -0.143 0.000 1.077 62 L CA 1.493 56.237 54.840 -0.161 0.000 0.747 62 L CB -0.336 41.631 42.059 -0.154 0.000 0.896 62 L HN 0.264 nan 8.230 nan 0.000 0.432 63 M N -1.334 118.156 119.600 -0.184 0.000 2.156 63 M HA -0.148 4.331 4.480 -0.001 0.000 0.264 63 M C 2.276 178.492 176.300 -0.140 0.000 1.067 63 M CA 1.137 56.308 55.300 -0.215 0.000 1.131 63 M CB -0.282 32.118 32.600 -0.333 0.000 1.368 63 M HN 0.027 nan 8.290 nan 0.000 0.416 64 V N 0.180 119.988 119.914 -0.177 0.000 2.343 64 V HA -0.258 3.861 4.120 -0.001 0.000 0.247 64 V C 2.323 178.369 176.094 -0.080 0.000 1.051 64 V CA 2.252 64.482 62.300 -0.117 0.000 1.036 64 V CB -1.082 30.668 31.823 -0.121 0.000 0.654 64 V HN 0.505 nan 8.190 nan 0.000 0.451 65 T N 0.377 114.864 114.554 -0.112 0.000 2.720 65 T HA -0.162 4.187 4.350 -0.001 0.000 0.268 65 T C 1.898 176.557 174.700 -0.068 0.000 1.037 65 T CA 1.678 63.706 62.100 -0.120 0.000 1.144 65 T CB -0.679 68.128 68.868 -0.101 0.000 0.864 65 T HN 0.637 nan 8.240 nan 0.000 0.444 66 G N 0.975 109.850 108.800 0.126 0.000 2.418 66 G HA2 -0.036 3.923 3.960 -0.001 0.000 0.217 66 G HA3 -0.036 3.923 3.960 -0.001 0.000 0.217 66 G C 1.841 176.979 174.900 0.397 0.000 1.158 66 G CA 0.883 46.232 45.100 0.414 0.000 0.771 66 G HN 0.584 nan 8.290 nan 0.000 0.545 67 A N 0.491 123.498 122.820 0.311 0.000 1.940 67 A HA -0.132 4.187 4.320 -0.001 0.000 0.219 67 A C 2.303 179.880 177.584 -0.011 0.000 1.176 67 A CA 2.003 54.151 52.037 0.184 0.000 0.631 67 A CB -0.478 18.604 19.000 0.136 0.000 0.814 67 A HN 0.458 nan 8.150 nan 0.000 0.446 68 Q N -1.612 118.110 119.800 -0.129 0.000 2.152 68 Q HA -0.238 4.101 4.340 -0.001 0.000 0.206 68 Q C 1.755 177.525 176.000 -0.384 0.000 0.985 68 Q CA 1.901 57.509 55.803 -0.325 0.000 0.863 68 Q CB -0.402 28.089 28.738 -0.412 0.000 0.904 68 Q HN 0.845 nan 8.270 nan 0.000 0.422 69 Y N -0.003 120.272 120.300 -0.042 0.000 2.315 69 Y HA -0.235 4.314 4.550 -0.001 0.000 0.288 69 Y C 2.165 178.043 175.900 -0.037 0.000 1.154 69 Y CA 1.110 59.219 58.100 0.014 0.000 1.229 69 Y CB -0.382 38.086 38.460 0.012 0.000 0.980 69 Y HN 0.205 nan 8.280 nan 0.000 0.540 70 M N -0.025 119.604 119.600 0.049 0.000 2.080 70 M HA -0.274 4.206 4.480 -0.001 0.000 0.260 70 M C 1.319 177.642 176.300 0.039 0.000 1.068 70 M CA 2.161 57.476 55.300 0.025 0.000 1.109 70 M CB -0.132 32.456 32.600 -0.021 0.000 1.342 70 M HN 0.117 nan 8.290 nan 0.000 0.405 71 D N -0.626 119.747 120.400 -0.045 0.000 2.117 71 D HA -0.176 4.464 4.640 -0.001 0.000 0.197 71 D C 1.926 178.229 176.300 0.005 0.000 0.987 71 D CA 1.258 55.224 54.000 -0.056 0.000 0.829 71 D CB -0.446 40.254 40.800 -0.168 0.000 0.961 71 D HN 0.458 nan 8.370 nan 0.000 0.460 72 H N 0.208 119.320 119.070 0.071 0.000 2.321 72 H HA 0.002 4.558 4.556 -0.001 0.000 0.300 72 H C 2.399 177.793 175.328 0.111 0.000 1.087 72 H CA 0.688 56.777 56.048 0.068 0.000 1.319 72 H CB -0.631 29.160 29.762 0.047 0.000 1.379 72 H HN 0.166 nan 8.280 nan 0.000 0.501 73 L N 0.197 121.578 121.223 0.263 0.000 2.013 73 L HA -0.216 4.123 4.340 -0.001 0.000 0.212 73 L C 2.793 179.908 176.870 0.409 0.000 1.073 73 L CA 1.685 56.701 54.840 0.292 0.000 0.753 73 L CB -0.443 41.786 42.059 0.284 0.000 0.890 73 L HN 0.184 nan 8.230 nan 0.000 0.432 74 R N 0.580 121.249 120.500 0.280 0.000 2.073 74 R HA -0.146 4.194 4.340 -0.001 0.000 0.229 74 R C 2.055 178.508 176.300 0.254 0.000 1.120 74 R CA 1.350 57.589 56.100 0.232 0.000 0.967 74 R CB -0.021 30.375 30.300 0.160 0.000 0.862 74 R HN 0.365 nan 8.270 nan 0.000 0.436 75 E N 0.187 120.546 120.200 0.266 0.000 2.274 75 E HA -0.127 4.223 4.350 -0.001 0.000 0.194 75 E C 1.897 178.754 176.600 0.429 0.000 0.996 75 E CA 1.119 57.713 56.400 0.323 0.000 0.840 75 E CB 0.136 30.031 29.700 0.326 0.000 0.772 75 E HN 0.451 nan 8.360 nan 0.000 0.491 76 S N 1.108 117.038 115.700 0.384 0.000 2.374 76 S HA -0.240 4.230 4.470 -0.001 0.000 0.227 76 S C 2.251 177.218 174.600 0.612 0.000 1.037 76 S CA 1.080 59.550 58.200 0.449 0.000 1.024 76 S CB -0.316 63.040 63.200 0.260 0.000 0.861 76 S HN 0.282 nan 8.310 nan 0.000 0.456 77 A N 2.024 125.115 122.820 0.452 0.000 1.892 77 A HA 0.071 4.390 4.320 -0.001 0.000 0.218 77 A C 2.514 180.248 177.584 0.250 0.000 1.188 77 A CA 1.917 54.142 52.037 0.313 0.000 0.631 77 A CB -1.985 17.111 19.000 0.159 0.000 0.822 77 A HN 0.808 nan 8.150 nan 0.000 0.447 78 G N -2.045 106.888 108.800 0.221 0.000 2.499 78 G HA2 -0.141 3.819 3.960 -0.001 0.000 0.221 78 G HA3 -0.141 3.819 3.960 -0.001 0.000 0.221 78 G C 0.999 175.820 174.900 -0.130 0.000 1.109 78 G CA 1.029 46.136 45.100 0.011 0.000 0.749 78 G HN 0.501 nan 8.290 nan 0.000 0.568 79 F N -0.171 119.895 119.950 0.193 0.000 2.653 79 F HA 0.399 4.926 4.527 -0.001 0.000 0.304 79 F C 1.759 177.608 175.800 0.082 0.000 1.092 79 F CA 0.281 58.389 58.000 0.180 0.000 1.279 79 F CB 0.927 40.100 39.000 0.288 0.000 1.044 79 F HN 0.206 nan 8.300 nan 0.000 0.564 80 G N -0.898 108.010 108.800 0.179 0.000 2.144 80 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.218 80 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.218 80 G C -0.283 174.526 174.900 -0.152 0.000 0.988 80 G CA -0.823 44.255 45.100 -0.038 0.000 0.659 80 G HN 0.220 nan 8.290 nan 0.000 0.522 81 W N 1.446 122.863 121.300 0.195 0.000 2.304 81 W HA 0.611 5.271 4.660 -0.001 0.000 0.313 81 W C 0.649 177.322 176.519 0.257 0.000 1.323 81 W CA -0.257 57.230 57.345 0.236 0.000 1.223 81 W CB 0.604 30.230 29.460 0.276 0.000 1.237 81 W HN 0.147 nan 8.180 nan 0.000 0.535 82 E N 3.640 124.079 120.200 0.397 0.000 2.210 82 E HA 0.586 4.936 4.350 -0.001 0.000 0.266 82 E C -0.894 175.944 176.600 0.398 0.000 0.883 82 E CA -0.890 55.649 56.400 0.232 0.000 0.761 82 E CB 1.599 31.354 29.700 0.091 0.000 1.156 82 E HN 0.300 nan 8.360 nan 0.000 0.412 83 F N -1.075 118.947 119.950 0.120 0.000 2.817 83 F HA 0.338 4.864 4.527 -0.001 0.000 0.317 83 F C -1.138 174.705 175.800 0.071 0.000 1.168 83 F CA -1.494 56.565 58.000 0.099 0.000 0.911 83 F CB 0.655 39.722 39.000 0.112 0.000 1.337 83 F HN 0.127 nan 8.300 nan 0.000 0.464 84 D N 1.024 121.528 120.400 0.174 0.000 2.402 84 D HA 0.288 4.928 4.640 -0.001 0.000 0.235 84 D C 1.297 177.620 176.300 0.038 0.000 1.226 84 D CA 0.503 54.532 54.000 0.050 0.000 0.918 84 D CB 1.094 41.949 40.800 0.092 0.000 1.043 84 D HN 0.868 nan 8.370 nan 0.000 0.506 85 G N 2.251 110.948 108.800 -0.171 0.000 2.448 85 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.219 85 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.219 85 G C 1.352 176.257 174.900 0.009 0.000 1.127 85 G CA 0.972 45.987 45.100 -0.142 0.000 0.766 85 G HN 0.536 nan 8.290 nan 0.000 0.552 86 S N 0.431 116.136 115.700 0.008 0.000 2.558 86 S HA 0.029 4.498 4.470 -0.001 0.000 0.217 86 S C 2.154 176.783 174.600 0.049 0.000 0.975 86 S CA 1.004 59.218 58.200 0.024 0.000 0.912 86 S CB -0.087 63.119 63.200 0.010 0.000 0.776 86 S HN 0.449 nan 8.310 nan 0.000 0.526 87 S N 0.720 116.465 115.700 0.074 0.000 2.561 87 S HA 0.182 4.651 4.470 -0.001 0.000 0.225 87 S C 0.477 175.135 174.600 0.096 0.000 0.977 87 S CA -0.262 57.989 58.200 0.085 0.000 0.926 87 S CB -0.566 62.695 63.200 0.100 0.000 0.769 87 S HN 0.290 nan 8.310 nan 0.000 0.533 88 V N 2.828 122.811 119.914 0.115 0.000 2.508 88 V HA 0.341 4.460 4.120 -0.001 0.000 0.281 88 V C 0.169 176.304 176.094 0.068 0.000 1.041 88 V CA -0.042 62.328 62.300 0.116 0.000 1.016 88 V CB 0.764 32.688 31.823 0.167 0.000 0.984 88 V HN 0.446 nan 8.190 nan 0.000 0.478 89 K N 4.245 124.676 120.400 0.051 0.000 2.371 89 K HA 0.761 5.081 4.320 -0.001 0.000 0.251 89 K C -0.742 175.878 176.600 0.034 0.000 0.934 89 K CA -0.752 55.563 56.287 0.047 0.000 0.798 89 K CB 2.102 34.636 32.500 0.057 0.000 1.204 89 K HN 0.670 nan 8.250 nan 0.000 0.427 90 A N 3.712 126.553 122.820 0.034 0.000 2.294 90 A HA 0.201 4.521 4.320 -0.001 0.000 0.316 90 A C -0.460 177.275 177.584 0.252 0.000 1.359 90 A CA -0.610 51.440 52.037 0.021 0.000 0.956 90 A CB -0.052 18.820 19.000 -0.213 0.000 1.155 90 A HN 0.697 nan 8.150 nan 0.000 0.544 91 N N 3.461 122.328 118.700 0.279 0.000 2.602 91 N HA -0.027 4.712 4.740 -0.001 0.000 0.238 91 N C 0.908 176.661 175.510 0.405 0.000 1.084 91 N CA -0.585 52.641 53.050 0.293 0.000 0.952 91 N CB 0.099 38.686 38.487 0.167 0.000 1.244 91 N HN 0.886 nan 8.380 nan 0.000 0.512 92 W N 4.645 126.104 121.300 0.265 0.000 2.321 92 W HA -0.206 4.454 4.660 -0.001 0.000 0.306 92 W C 0.742 177.265 176.519 0.006 0.000 1.217 92 W CA 1.186 58.573 57.345 0.070 0.000 1.257 92 W CB 0.258 29.772 29.460 0.091 0.000 1.145 92 W HN 0.484 nan 8.180 nan 0.000 0.509 93 K N 0.037 120.577 120.400 0.233 0.000 2.097 93 K HA -0.183 4.137 4.320 -0.001 0.000 0.206 93 K C 2.162 178.739 176.600 -0.037 0.000 1.049 93 K CA 1.095 57.430 56.287 0.081 0.000 0.933 93 K CB -0.284 32.305 32.500 0.149 0.000 0.717 93 K HN -0.116 nan 8.250 nan 0.000 0.442 94 K N 1.148 121.550 120.400 0.003 0.000 2.057 94 K HA -0.121 4.199 4.320 -0.001 0.000 0.206 94 K C 2.143 178.680 176.600 -0.105 0.000 1.050 94 K CA 0.822 57.093 56.287 -0.026 0.000 0.935 94 K CB -0.413 32.097 32.500 0.017 0.000 0.715 94 K HN 0.058 nan 8.250 nan 0.000 0.439 95 L N 1.736 122.860 121.223 -0.166 0.000 1.990 95 L HA -0.225 4.114 4.340 -0.001 0.000 0.213 95 L C 2.086 178.715 176.870 -0.402 0.000 1.072 95 L CA 1.675 56.327 54.840 -0.312 0.000 0.755 95 L CB -0.558 41.154 42.059 -0.578 0.000 0.889 95 L HN 0.077 nan 8.230 nan 0.000 0.432 96 I N -0.052 120.193 120.570 -0.542 0.000 2.179 96 I HA -0.251 3.918 4.170 -0.001 0.000 0.242 96 I C 2.724 178.700 176.117 -0.234 0.000 1.088 96 I CA 1.510 62.529 61.300 -0.469 0.000 1.357 96 I CB -2.057 35.621 38.000 -0.537 0.000 1.051 96 I HN 0.394 nan 8.210 nan 0.000 0.409 97 A N 1.079 123.810 122.820 -0.149 0.000 1.883 97 A HA -0.146 4.173 4.320 -0.001 0.000 0.217 97 A C 2.599 180.130 177.584 -0.088 0.000 1.186 97 A CA 2.257 54.250 52.037 -0.072 0.000 0.624 97 A CB -0.859 18.117 19.000 -0.039 0.000 0.822 97 A HN 0.427 nan 8.150 nan 0.000 0.444 98 A N -0.231 122.521 122.820 -0.113 0.000 1.877 98 A HA -0.179 4.141 4.320 -0.001 0.000 0.216 98 A C 2.183 179.685 177.584 -0.137 0.000 1.186 98 A CA 2.055 54.028 52.037 -0.107 0.000 0.620 98 A CB -0.452 18.488 19.000 -0.100 0.000 0.822 98 A HN 0.425 nan 8.150 nan 0.000 0.443 99 K N 0.074 120.364 120.400 -0.184 0.000 2.097 99 K HA -0.182 4.138 4.320 -0.001 0.000 0.206 99 K C 1.385 177.837 176.600 -0.246 0.000 1.049 99 K CA 1.805 57.960 56.287 -0.219 0.000 0.933 99 K CB -0.446 31.898 32.500 -0.261 0.000 0.717 99 K HN 0.420 nan 8.250 nan 0.000 0.442 100 N N 1.276 119.859 118.700 -0.195 0.000 2.270 100 N HA -0.141 4.599 4.740 -0.001 0.000 0.181 100 N C 1.689 177.111 175.510 -0.147 0.000 1.016 100 N CA 1.031 53.969 53.050 -0.185 0.000 0.870 100 N CB -0.118 38.434 38.487 0.109 0.000 0.979 100 N HN 0.341 nan 8.380 nan 0.000 0.431 101 E N 1.118 121.264 120.200 -0.090 0.000 2.072 101 E HA 0.074 4.424 4.350 -0.001 0.000 0.190 101 E C 1.774 178.312 176.600 -0.103 0.000 0.982 101 E CA 1.155 57.520 56.400 -0.059 0.000 0.803 101 E CB -0.363 29.308 29.700 -0.048 0.000 0.755 101 E HN 0.233 nan 8.360 nan 0.000 0.453 102 A N 0.190 122.927 122.820 -0.138 0.000 1.908 102 A HA -0.152 4.167 4.320 -0.001 0.000 0.218 102 A C 2.485 179.952 177.584 -0.195 0.000 1.181 102 A CA 1.795 53.739 52.037 -0.155 0.000 0.627 102 A CB -0.762 18.145 19.000 -0.155 0.000 0.818 102 A HN 0.214 nan 8.150 nan 0.000 0.445 103 V N -0.570 119.185 119.914 -0.266 0.000 2.323 103 V HA -0.172 3.947 4.120 -0.001 0.000 0.244 103 V C 2.427 178.394 176.094 -0.213 0.000 1.041 103 V CA 1.678 63.789 62.300 -0.315 0.000 1.025 103 V CB -0.718 30.789 31.823 -0.526 0.000 0.656 103 V HN 0.570 nan 8.190 nan 0.000 0.451 104 L N 0.636 121.783 121.223 -0.127 0.000 2.051 104 L HA -0.255 4.084 4.340 -0.001 0.000 0.214 104 L C 2.105 178.939 176.870 -0.060 0.000 1.076 104 L CA 2.202 57.062 54.840 0.035 0.000 0.758 104 L CB -0.976 41.148 42.059 0.108 0.000 0.890 104 L HN 0.333 nan 8.230 nan 0.000 0.433 105 D N -0.450 119.890 120.400 -0.099 0.000 2.123 105 D HA -0.215 4.424 4.640 -0.001 0.000 0.196 105 D C 2.278 178.462 176.300 -0.194 0.000 0.992 105 D CA 1.977 55.904 54.000 -0.121 0.000 0.833 105 D CB -0.165 40.564 40.800 -0.119 0.000 0.954 105 D HN 0.471 nan 8.370 nan 0.000 0.455 106 I N 0.891 121.302 120.570 -0.265 0.000 2.142 106 I HA -0.279 3.891 4.170 -0.001 0.000 0.240 106 I C 1.924 177.716 176.117 -0.542 0.000 1.078 106 I CA 1.023 62.038 61.300 -0.475 0.000 1.343 106 I CB -0.413 37.278 38.000 -0.516 0.000 1.046 106 I HN -0.014 nan 8.210 nan 0.000 0.405 107 N N 0.988 119.508 118.700 -0.300 0.000 2.049 107 N HA -0.259 4.481 4.740 -0.001 0.000 0.198 107 N C 1.753 177.192 175.510 -0.118 0.000 1.030 107 N CA 1.663 54.617 53.050 -0.161 0.000 0.870 107 N CB -0.177 38.293 38.487 -0.029 0.000 1.045 107 N HN 0.360 nan 8.380 nan 0.000 0.434 108 K N 0.285 120.625 120.400 -0.099 0.000 2.103 108 K HA -0.047 4.272 4.320 -0.001 0.000 0.204 108 K C 2.417 178.990 176.600 -0.046 0.000 1.052 108 K CA 1.252 57.508 56.287 -0.052 0.000 0.945 108 K CB -0.141 32.334 32.500 -0.042 0.000 0.722 108 K HN 0.194 nan 8.250 nan 0.000 0.443 109 S N 0.459 116.098 115.700 -0.102 0.000 2.382 109 S HA -0.180 4.290 4.470 -0.001 0.000 0.228 109 S C 1.914 176.552 174.600 0.064 0.000 1.027 109 S CA 0.914 59.077 58.200 -0.061 0.000 0.991 109 S CB -0.365 62.764 63.200 -0.117 0.000 0.823 109 S HN 0.218 nan 8.310 nan 0.000 0.469 110 Y N 1.909 122.156 120.300 -0.088 0.000 2.263 110 Y HA 0.164 4.714 4.550 -0.001 0.000 0.292 110 Y C 2.640 178.523 175.900 -0.029 0.000 1.130 110 Y CA 0.555 58.588 58.100 -0.112 0.000 1.179 110 Y CB -1.182 37.220 38.460 -0.097 0.000 0.998 110 Y HN 0.558 nan 8.280 nan 0.000 0.532 111 E N -0.239 120.055 120.200 0.157 0.000 2.077 111 E HA -0.148 4.202 4.350 -0.001 0.000 0.193 111 E C 2.511 179.192 176.600 0.136 0.000 0.989 111 E CA 1.259 57.727 56.400 0.113 0.000 0.800 111 E CB -0.453 29.253 29.700 0.009 0.000 0.746 111 E HN 0.416 nan 8.360 nan 0.000 0.452 112 G N 0.957 109.808 108.800 0.084 0.000 2.421 112 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.216 112 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.216 112 G C 1.593 176.540 174.900 0.078 0.000 1.171 112 G CA 1.124 46.264 45.100 0.067 0.000 0.775 112 G HN 0.218 nan 8.290 nan 0.000 0.543 113 M N -0.348 119.283 119.600 0.051 0.000 2.108 113 M HA -0.005 4.475 4.480 -0.001 0.000 0.261 113 M C 2.363 178.680 176.300 0.028 0.000 1.066 113 M CA 1.233 56.539 55.300 0.011 0.000 1.107 113 M CB -0.529 32.009 32.600 -0.102 0.000 1.356 113 M HN 0.163 nan 8.290 nan 0.000 0.406 114 F N 1.399 121.389 119.950 0.068 0.000 2.126 114 F HA -0.225 4.302 4.527 -0.001 0.000 0.299 114 F C 2.269 178.100 175.800 0.052 0.000 1.096 114 F CA 1.504 59.544 58.000 0.066 0.000 1.255 114 F CB -0.965 38.066 39.000 0.051 0.000 0.997 114 F HN 0.222 nan 8.300 nan 0.000 0.479 115 N N 0.032 118.871 118.700 0.232 0.000 2.149 115 N HA -0.158 4.581 4.740 -0.001 0.000 0.188 115 N C 1.241 176.813 175.510 0.103 0.000 1.019 115 N CA 1.569 54.699 53.050 0.134 0.000 0.857 115 N CB -0.563 37.980 38.487 0.093 0.000 0.997 115 N HN 0.262 nan 8.380 nan 0.000 0.426 116 D N -0.495 119.963 120.400 0.096 0.000 2.349 116 D HA 0.042 4.682 4.640 -0.001 0.000 0.215 116 D C -0.152 176.187 176.300 0.065 0.000 1.016 116 D CA 0.581 54.624 54.000 0.071 0.000 0.870 116 D CB 0.155 40.996 40.800 0.068 0.000 0.917 116 D HN 0.087 nan 8.370 nan 0.000 0.524 117 T N 1.103 115.705 114.554 0.080 0.000 2.788 117 T HA 0.200 4.550 4.350 -0.001 0.000 0.296 117 T C -0.035 174.685 174.700 0.032 0.000 1.009 117 T CA -0.672 61.450 62.100 0.037 0.000 0.949 117 T CB 2.134 71.019 68.868 0.029 0.000 0.946 117 T HN -0.124 nan 8.240 nan 0.000 0.453 118 E N 2.201 122.401 120.200 -0.000 0.000 2.465 118 E HA 0.337 4.687 4.350 -0.001 0.000 0.260 118 E C 1.343 177.943 176.600 0.000 0.000 0.980 118 E CA 1.364 57.768 56.400 0.007 0.000 0.927 118 E CB -0.266 29.426 29.700 -0.012 0.000 0.934 118 E HN 0.863 nan 8.360 nan 0.000 0.459 119 G N 3.204 112.037 108.800 0.054 0.000 2.176 119 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.253 119 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.253 119 G C -0.272 174.705 174.900 0.128 0.000 0.979 119 G CA 0.211 45.355 45.100 0.075 0.000 0.641 119 G HN 0.640 nan 8.290 nan 0.000 0.530 120 L N 1.532 122.846 121.223 0.152 0.000 2.388 120 L HA 0.774 5.113 4.340 -0.001 0.000 0.267 120 L C -1.413 175.694 176.870 0.396 0.000 0.995 120 L CA -1.039 53.949 54.840 0.247 0.000 0.864 120 L CB 1.511 43.657 42.059 0.145 0.000 1.216 120 L HN 0.024 nan 8.230 nan 0.000 0.430 121 D N 3.720 124.310 120.400 0.317 0.000 2.248 121 D HA 0.380 5.019 4.640 -0.001 0.000 0.246 121 D C -1.240 174.910 176.300 -0.249 0.000 1.027 121 D CA 0.198 54.252 54.000 0.089 0.000 0.853 121 D CB 1.822 42.685 40.800 0.106 0.000 1.243 121 D HN 0.290 nan 8.370 nan 0.000 0.462 122 F N 2.449 121.913 119.950 -0.810 0.000 2.420 122 F HA 0.592 5.119 4.527 -0.001 0.000 0.342 122 F C -1.433 173.788 175.800 -0.965 0.000 1.113 122 F CA -0.829 56.499 58.000 -1.120 0.000 1.059 122 F CB 0.480 38.562 39.000 -1.530 0.000 1.128 122 F HN 0.140 nan 8.300 nan 0.000 0.475 123 F N 6.464 125.632 119.950 -1.304 0.000 2.540 123 F HA 0.480 5.007 4.527 -0.001 0.000 0.317 123 F C -0.898 174.081 175.800 -1.369 0.000 1.104 123 F CA -1.057 56.365 58.000 -0.963 0.000 0.913 123 F CB 1.747 40.435 39.000 -0.520 0.000 1.170 123 F HN 0.324 nan 8.300 nan 0.000 0.450 124 L N 3.152 123.956 121.223 -0.698 0.000 2.276 124 L HA 0.873 5.212 4.340 -0.001 0.000 0.286 124 L C 0.075 176.848 176.870 -0.162 0.000 1.061 124 L CA 0.535 55.156 54.840 -0.365 0.000 0.807 124 L CB 0.419 42.444 42.059 -0.057 0.000 1.177 124 L HN 0.788 nan 8.230 nan 0.000 0.429 125 G N 2.927 111.620 108.800 -0.179 0.000 2.350 125 G HA2 0.003 3.963 3.960 -0.001 0.000 0.282 125 G HA3 0.003 3.963 3.960 -0.001 0.000 0.282 125 G C -2.185 172.568 174.900 -0.245 0.000 1.314 125 G CA -0.854 44.196 45.100 -0.084 0.000 0.915 125 G HN 0.489 nan 8.290 nan 0.000 0.499 126 W N 0.772 121.995 121.300 -0.129 0.000 2.429 126 W HA 0.615 5.275 4.660 -0.000 0.000 0.314 126 W C 0.632 177.081 176.519 -0.116 0.000 1.062 126 W CA 0.361 57.617 57.345 -0.148 0.000 1.211 126 W CB 2.047 31.404 29.460 -0.172 0.000 1.305 126 W HN 0.869 nan 8.180 nan 0.000 0.476 127 G N 1.832 110.655 108.800 0.039 0.000 2.367 127 G HA2 0.623 4.583 3.960 -0.001 0.000 0.314 127 G HA3 0.623 4.583 3.960 -0.001 0.000 0.314 127 G C -0.664 174.260 174.900 0.040 0.000 1.130 127 G CA -0.510 44.592 45.100 0.004 0.000 0.864 127 G HN 0.448 nan 8.290 nan 0.000 0.486 128 S N 0.322 116.033 115.700 0.018 0.000 2.671 128 S HA 0.659 5.128 4.470 -0.001 0.000 0.277 128 S C -1.366 173.233 174.600 -0.002 0.000 1.165 128 S CA -0.904 57.306 58.200 0.016 0.000 0.822 128 S CB 1.561 64.772 63.200 0.017 0.000 1.150 128 S HN 0.353 nan 8.310 nan 0.000 0.479 129 L N 1.921 123.142 121.223 -0.002 0.000 2.260 129 L HA 0.539 4.879 4.340 -0.001 0.000 0.289 129 L C 1.317 178.179 176.870 -0.012 0.000 1.057 129 L CA 0.166 55.001 54.840 -0.009 0.000 0.811 129 L CB 0.680 42.734 42.059 -0.008 0.000 1.184 129 L HN 1.078 nan 8.230 nan 0.000 0.429 130 E N 1.773 121.964 120.200 -0.015 0.000 2.099 130 E HA 0.062 4.412 4.350 -0.001 0.000 0.191 130 E C 0.196 176.786 176.600 -0.017 0.000 0.962 130 E CA 0.683 57.073 56.400 -0.016 0.000 0.826 130 E CB 0.556 30.246 29.700 -0.017 0.000 0.788 130 E HN 0.712 nan 8.360 nan 0.000 0.461 131 S N -1.679 114.010 115.700 -0.018 0.000 2.705 131 S HA 0.291 4.761 4.470 -0.001 0.000 0.280 131 S C 0.392 174.977 174.600 -0.024 0.000 1.174 131 S CA -0.769 57.419 58.200 -0.020 0.000 0.823 131 S CB 1.154 64.342 63.200 -0.020 0.000 1.162 131 S HN 0.086 nan 8.310 nan 0.000 0.487 132 K N 0.541 120.922 120.400 -0.031 0.000 2.163 132 K HA -0.191 4.129 4.320 -0.001 0.000 0.210 132 K C 0.418 176.994 176.600 -0.040 0.000 1.048 132 K CA 2.340 58.601 56.287 -0.043 0.000 0.928 132 K CB -0.459 32.012 32.500 -0.048 0.000 0.716 132 K HN 0.674 nan 8.250 nan 0.000 0.459 133 N N -1.111 117.572 118.700 -0.028 0.000 2.238 133 N HA 0.119 4.859 4.740 -0.001 0.000 0.235 133 N C -1.723 173.787 175.510 -0.001 0.000 1.209 133 N CA -0.321 52.719 53.050 -0.017 0.000 0.879 133 N CB 1.854 40.327 38.487 -0.023 0.000 1.136 133 N HN -0.174 nan 8.380 nan 0.000 0.517 134 V N 1.100 121.010 119.914 -0.006 0.000 2.569 134 V HA 0.381 4.500 4.120 -0.001 0.000 0.301 134 V C -0.608 175.477 176.094 -0.016 0.000 1.044 134 V CA -0.825 61.471 62.300 -0.007 0.000 0.874 134 V CB 2.237 34.052 31.823 -0.013 0.000 1.002 134 V HN -0.229 nan 8.190 nan 0.000 0.424 135 V N 5.630 125.529 119.914 -0.025 0.000 2.483 135 V HA 0.562 4.682 4.120 -0.001 0.000 0.295 135 V C -0.160 175.897 176.094 -0.063 0.000 1.035 135 V CA -0.449 61.826 62.300 -0.041 0.000 0.896 135 V CB 2.177 33.966 31.823 -0.057 0.000 0.986 135 V HN 0.640 nan 8.190 nan 0.000 0.447 136 V N 5.276 125.160 119.914 -0.049 0.000 2.547 136 V HA 0.537 4.657 4.120 -0.001 0.000 0.299 136 V C -0.269 175.795 176.094 -0.050 0.000 1.040 136 V CA -0.681 61.589 62.300 -0.050 0.000 0.913 136 V CB 1.934 33.742 31.823 -0.027 0.000 0.992 136 V HN 0.556 nan 8.190 nan 0.000 0.449 137 V N 5.060 124.937 119.914 -0.061 0.000 2.378 137 V HA 0.542 4.661 4.120 -0.001 0.000 0.288 137 V C 0.107 176.207 176.094 0.009 0.000 1.016 137 V CA -0.614 61.661 62.300 -0.041 0.000 0.840 137 V CB 1.345 33.107 31.823 -0.102 0.000 0.994 137 V HN 0.842 nan 8.190 nan 0.000 0.431 138 R N 2.348 122.887 120.500 0.065 0.000 2.856 138 R HA 0.483 4.822 4.340 -0.001 0.000 0.258 138 R C 0.701 177.080 176.300 0.132 0.000 1.066 138 R CA -0.796 55.345 56.100 0.069 0.000 1.045 138 R CB 1.879 32.199 30.300 0.034 0.000 1.178 138 R HN 0.673 nan 8.270 nan 0.000 0.499 139 E N 0.177 120.431 120.200 0.091 0.000 2.204 139 E HA -0.097 4.253 4.350 -0.001 0.000 0.194 139 E C 0.487 177.186 176.600 0.166 0.000 0.989 139 E CA 1.348 57.826 56.400 0.130 0.000 0.824 139 E CB 0.315 30.061 29.700 0.077 0.000 0.756 139 E HN 0.601 nan 8.360 nan 0.000 0.477 140 T N -4.884 109.636 114.554 -0.057 0.000 2.812 140 T HA 0.541 4.891 4.350 -0.001 0.000 0.294 140 T C 0.719 174.838 174.700 -0.969 0.000 1.159 140 T CA -0.312 61.468 62.100 -0.534 0.000 1.008 140 T CB 1.489 70.156 68.868 -0.335 0.000 1.289 140 T HN -0.130 nan 8.240 nan 0.000 0.514 141 A N 0.073 121.871 122.820 -1.703 0.000 2.070 141 A HA 0.092 4.412 4.320 -0.001 0.000 0.220 141 A C 1.059 178.330 177.584 -0.522 0.000 1.159 141 A CA 1.006 52.319 52.037 -1.208 0.000 0.656 141 A CB -0.994 17.147 19.000 -1.431 0.000 0.800 141 A HN 0.856 nan 8.150 nan 0.000 0.453 142 D N 0.345 120.501 120.400 -0.406 0.000 2.412 142 D HA 0.079 4.719 4.640 -0.001 0.000 0.257 142 D C -1.652 174.554 176.300 -0.158 0.000 1.217 142 D CA -1.631 52.234 54.000 -0.225 0.000 0.897 142 D CB 1.056 41.752 40.800 -0.173 0.000 1.132 142 D HN 0.148 nan 8.370 nan 0.000 0.493 143 P HA -0.036 nan 4.420 nan 0.000 0.239 143 P C 0.469 177.734 177.300 -0.058 0.000 1.184 143 P CA 0.587 63.642 63.100 -0.074 0.000 0.760 143 P CB 0.225 31.891 31.700 -0.056 0.000 0.884 144 K N -0.127 120.235 120.400 -0.063 0.000 2.374 144 K HA 0.099 4.419 4.320 -0.001 0.000 0.196 144 K C 1.000 177.574 176.600 -0.043 0.000 1.023 144 K CA -0.016 56.243 56.287 -0.046 0.000 1.103 144 K CB 0.240 32.715 32.500 -0.042 0.000 0.848 144 K HN 0.209 nan 8.250 nan 0.000 0.528 145 S N 0.688 116.354 115.700 -0.057 0.000 2.596 145 S HA 0.329 4.799 4.470 -0.001 0.000 0.260 145 S C 0.417 175.005 174.600 -0.020 0.000 1.336 145 S CA -0.907 57.266 58.200 -0.044 0.000 0.993 145 S CB 1.070 64.229 63.200 -0.069 0.000 0.923 145 S HN 0.180 nan 8.310 nan 0.000 0.567 146 A N 1.116 123.934 122.820 -0.003 0.000 2.498 146 A HA 0.452 4.771 4.320 -0.001 0.000 0.239 146 A C 0.164 177.756 177.584 0.014 0.000 1.068 146 A CA -0.664 51.378 52.037 0.007 0.000 0.766 146 A CB -0.314 18.697 19.000 0.017 0.000 1.003 146 A HN 0.908 nan 8.150 nan 0.000 0.497 147 V N 3.891 123.812 119.914 0.011 0.000 2.470 147 V HA 0.044 4.163 4.120 -0.001 0.000 0.276 147 V C 1.067 177.174 176.094 0.022 0.000 1.040 147 V CA 0.306 62.613 62.300 0.011 0.000 1.008 147 V CB 0.618 32.443 31.823 0.003 0.000 0.990 147 V HN 1.046 nan 8.190 nan 0.000 0.477 148 K N 2.734 123.148 120.400 0.023 0.000 2.166 148 K HA 0.209 4.528 4.320 -0.001 0.000 0.201 148 K C 0.268 176.879 176.600 0.018 0.000 1.052 148 K CA 0.547 56.853 56.287 0.033 0.000 0.969 148 K CB 0.368 32.892 32.500 0.040 0.000 0.761 148 K HN 0.633 nan 8.250 nan 0.000 0.459 149 E N 0.137 120.323 120.200 -0.024 0.000 2.407 149 E HA 0.305 4.654 4.350 -0.001 0.000 0.279 149 E C -1.258 175.283 176.600 -0.098 0.000 1.012 149 E CA -0.543 55.813 56.400 -0.073 0.000 0.800 149 E CB 2.214 31.800 29.700 -0.190 0.000 1.276 149 E HN -0.020 nan 8.360 nan 0.000 0.452 150 R N 1.149 121.590 120.500 -0.098 0.000 2.534 150 R HA 0.585 4.924 4.340 -0.001 0.000 0.301 150 R C -0.668 175.572 176.300 -0.100 0.000 0.961 150 R CA -0.585 55.465 56.100 -0.084 0.000 0.871 150 R CB 1.313 31.590 30.300 -0.039 0.000 1.170 150 R HN 0.287 nan 8.270 nan 0.000 0.446 151 L N 4.021 125.185 121.223 -0.099 0.000 2.316 151 L HA 0.378 4.717 4.340 -0.001 0.000 0.280 151 L C -0.222 176.687 176.870 0.065 0.000 1.006 151 L CA -0.812 54.013 54.840 -0.024 0.000 0.836 151 L CB 1.822 43.756 42.059 -0.208 0.000 1.221 151 L HN 0.458 nan 8.230 nan 0.000 0.418 152 Q N 2.492 122.355 119.800 0.104 0.000 2.352 152 Q HA 0.655 4.995 4.340 -0.001 0.000 0.260 152 Q C -0.254 175.840 176.000 0.157 0.000 0.976 152 Q CA -0.254 55.596 55.803 0.078 0.000 0.881 152 Q CB 1.666 30.419 28.738 0.025 0.000 1.235 152 Q HN 0.712 nan 8.270 nan 0.000 0.419 153 A N 1.870 124.755 122.820 0.108 0.000 2.459 153 A HA 0.308 4.628 4.320 -0.001 0.000 0.296 153 A C -0.664 176.967 177.584 0.077 0.000 1.039 153 A CA -0.727 51.399 52.037 0.148 0.000 0.698 153 A CB 1.310 20.391 19.000 0.135 0.000 1.261 153 A HN 0.709 nan 8.150 nan 0.000 0.405 154 D N 0.608 121.064 120.400 0.094 0.000 2.149 154 D HA 0.013 4.652 4.640 -0.001 0.000 0.201 154 D C 0.059 176.178 176.300 -0.301 0.000 0.972 154 D CA 1.711 55.657 54.000 -0.090 0.000 0.835 154 D CB 0.081 40.871 40.800 -0.017 0.000 0.966 154 D HN 0.633 nan 8.370 nan 0.000 0.476 155 H N -0.821 118.386 119.070 0.229 0.000 2.667 155 H HA 0.441 4.997 4.556 -0.001 0.000 0.353 155 H C -0.381 175.099 175.328 0.254 0.000 1.072 155 H CA -0.551 55.674 56.048 0.294 0.000 1.214 155 H CB 1.839 31.901 29.762 0.499 0.000 1.600 155 H HN -0.133 nan 8.280 nan 0.000 0.527 156 I N 3.618 124.343 120.570 0.259 0.000 2.406 156 I HA 0.107 4.276 4.170 -0.001 0.000 0.290 156 I C -0.633 175.638 176.117 0.257 0.000 0.999 156 I CA -0.879 60.536 61.300 0.192 0.000 1.124 156 I CB 2.186 40.225 38.000 0.065 0.000 1.289 156 I HN 0.153 nan 8.210 nan 0.000 0.441 157 L N 7.903 129.285 121.223 0.264 0.000 2.265 157 L HA 0.495 4.834 4.340 -0.001 0.000 0.289 157 L C -0.818 176.149 176.870 0.162 0.000 1.033 157 L CA -0.175 54.822 54.840 0.261 0.000 0.814 157 L CB 0.946 43.159 42.059 0.255 0.000 1.203 157 L HN 0.428 nan 8.230 nan 0.000 0.423 158 L N 6.236 127.546 121.223 0.145 0.000 2.278 158 L HA 0.630 4.970 4.340 -0.001 0.000 0.287 158 L C 0.463 177.401 176.870 0.113 0.000 1.072 158 L CA -0.228 54.674 54.840 0.104 0.000 0.819 158 L CB 1.082 43.193 42.059 0.085 0.000 1.176 158 L HN 0.856 nan 8.230 nan 0.000 0.435 159 A N 1.117 123.998 122.820 0.102 0.000 3.106 159 A HA 0.240 4.559 4.320 -0.001 0.000 0.227 159 A C 0.812 178.456 177.584 0.099 0.000 0.920 159 A CA -0.200 51.901 52.037 0.108 0.000 1.088 159 A CB -0.081 18.989 19.000 0.116 0.000 1.233 159 A HN 0.716 nan 8.150 nan 0.000 0.503 160 T N -3.091 111.518 114.554 0.092 0.000 3.129 160 T HA 0.449 4.798 4.350 -0.001 0.000 0.251 160 T C 1.361 176.136 174.700 0.124 0.000 1.117 160 T CA 1.069 63.220 62.100 0.085 0.000 1.034 160 T CB -0.140 68.768 68.868 0.066 0.000 0.968 160 T HN 2.064 nan 8.240 nan 0.000 0.526 161 G N 1.753 110.635 108.800 0.138 0.000 2.539 161 G HA2 -0.085 3.874 3.960 -0.001 0.000 0.256 161 G HA3 -0.085 3.874 3.960 -0.001 0.000 0.256 161 G C -0.054 174.964 174.900 0.197 0.000 1.233 161 G CA 0.084 45.285 45.100 0.169 0.000 0.936 161 G HN 1.561 nan 8.290 nan 0.000 0.571 162 S N -1.539 114.310 115.700 0.248 0.000 2.732 162 S HA 0.810 5.280 4.470 -0.001 0.000 0.293 162 S C -0.929 173.930 174.600 0.431 0.000 1.159 162 S CA 0.091 58.459 58.200 0.281 0.000 0.847 162 S CB 2.649 65.978 63.200 0.215 0.000 1.169 162 S HN 1.667 nan 8.310 nan 0.000 0.501 163 W N 0.695 122.064 121.300 0.114 0.000 3.107 163 W HA 0.451 5.111 4.660 -0.001 0.000 0.331 163 W C -3.334 173.240 176.519 0.092 0.000 1.204 163 W CA -2.322 55.091 57.345 0.114 0.000 1.184 163 W CB 1.936 31.469 29.460 0.121 0.000 1.421 163 W HN 0.486 nan 8.180 nan 0.000 0.544 164 P HA -0.004 nan 4.420 nan 0.000 0.271 164 P C -0.928 176.368 177.300 -0.006 0.000 1.216 164 P CA 0.425 63.410 63.100 -0.191 0.000 0.771 164 P CB 0.672 32.164 31.700 -0.348 0.000 0.864 165 Q N 3.043 122.865 119.800 0.036 0.000 2.267 165 Q HA 0.373 4.713 4.340 -0.001 0.000 0.255 165 Q C -0.970 175.054 176.000 0.041 0.000 0.923 165 Q CA -0.447 55.401 55.803 0.075 0.000 0.925 165 Q CB 0.458 29.243 28.738 0.078 0.000 1.195 165 Q HN 0.290 nan 8.270 nan 0.000 0.417 166 M N 6.269 125.904 119.600 0.057 0.000 2.101 166 M HA 0.386 4.865 4.480 -0.001 0.000 0.340 166 M C -2.209 174.110 176.300 0.032 0.000 1.057 166 M CA -2.488 52.833 55.300 0.034 0.000 0.984 166 M CB 0.739 33.365 32.600 0.043 0.000 1.560 166 M HN 0.603 nan 8.290 nan 0.000 0.435 167 P HA 0.279 nan 4.420 nan 0.000 0.272 167 P C -0.755 176.551 177.300 0.010 0.000 1.223 167 P CA -0.419 62.693 63.100 0.019 0.000 0.784 167 P CB 0.761 32.469 31.700 0.013 0.000 0.923 168 A N 3.845 126.671 122.820 0.011 0.000 3.015 168 A HA 0.459 4.778 4.320 -0.001 0.000 0.293 168 A C 0.717 178.299 177.584 -0.003 0.000 1.572 168 A CA -0.672 51.368 52.037 0.006 0.000 1.274 168 A CB -1.402 17.604 19.000 0.010 0.000 1.156 168 A HN 0.565 nan 8.150 nan 0.000 0.562 169 I N -1.859 118.704 120.570 -0.011 0.000 2.693 169 I HA 0.639 4.809 4.170 -0.001 0.000 0.303 169 I C -2.836 173.270 176.117 -0.019 0.000 1.025 169 I CA -3.213 58.076 61.300 -0.017 0.000 1.086 169 I CB 1.758 39.740 38.000 -0.029 0.000 1.268 169 I HN 0.040 nan 8.210 nan 0.000 0.440 170 P HA 0.127 nan 4.420 nan 0.000 0.260 170 P C 0.640 177.940 177.300 0.001 0.000 1.185 170 P CA 1.011 64.107 63.100 -0.007 0.000 0.763 170 P CB 0.409 32.111 31.700 0.003 0.000 0.776 171 G N 3.318 112.107 108.800 -0.017 0.000 2.131 171 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.223 171 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.223 171 G C 0.725 175.576 174.900 -0.082 0.000 0.990 171 G CA 0.052 45.149 45.100 -0.004 0.000 0.671 171 G HN 0.550 nan 8.290 nan 0.000 0.521 172 I N 1.658 122.175 120.570 -0.088 0.000 2.454 172 I HA -0.059 4.110 4.170 -0.001 0.000 0.254 172 I C 2.511 178.568 176.117 -0.098 0.000 1.156 172 I CA 2.285 63.546 61.300 -0.066 0.000 1.433 172 I CB -0.093 37.883 38.000 -0.040 0.000 1.082 172 I HN 0.473 nan 8.210 nan 0.000 0.432 173 E N -0.492 119.591 120.200 -0.195 0.000 2.409 173 E HA -0.254 4.095 4.350 -0.001 0.000 0.198 173 E C 1.229 177.688 176.600 -0.236 0.000 1.024 173 E CA 1.235 57.506 56.400 -0.214 0.000 0.861 173 E CB -0.910 28.638 29.700 -0.254 0.000 0.788 173 E HN 0.610 nan 8.360 nan 0.000 0.521 174 H N -0.052 119.010 119.070 -0.014 0.000 2.551 174 H HA 0.170 4.725 4.556 -0.001 0.000 0.266 174 H C 0.494 175.801 175.328 -0.035 0.000 0.977 174 H CA 0.115 56.150 56.048 -0.022 0.000 1.163 174 H CB -0.094 29.652 29.762 -0.027 0.000 1.381 174 H HN 0.158 nan 8.280 nan 0.000 0.581 175 C N 1.567 120.885 119.300 0.030 0.000 2.358 175 C HA 0.598 5.057 4.460 -0.001 0.000 0.354 175 C C 1.169 176.144 174.990 -0.025 0.000 1.183 175 C CA -0.916 58.097 59.018 -0.009 0.000 2.150 175 C CB 1.203 28.927 27.740 -0.027 0.000 2.361 175 C HN 0.405 nan 8.230 nan 0.000 0.535 176 I N 0.158 120.696 120.570 -0.053 0.000 3.264 176 I HA 0.885 5.054 4.170 -0.001 0.000 0.309 176 I C 0.021 176.066 176.117 -0.120 0.000 1.099 176 I CA -0.224 61.032 61.300 -0.072 0.000 0.989 176 I CB 1.908 39.868 38.000 -0.068 0.000 1.250 176 I HN 0.691 nan 8.210 nan 0.000 0.478 177 S N 0.058 115.653 115.700 -0.175 0.000 2.806 177 S HA 0.372 4.842 4.470 -0.001 0.000 0.315 177 S C 0.957 175.363 174.600 -0.324 0.000 1.127 177 S CA 0.018 58.076 58.200 -0.236 0.000 0.918 177 S CB 1.071 64.106 63.200 -0.275 0.000 1.240 177 S HN 0.932 nan 8.310 nan 0.000 0.552 178 S N 1.433 116.905 115.700 -0.381 0.000 2.402 178 S HA -0.237 4.233 4.470 -0.001 0.000 0.233 178 S C 1.467 175.923 174.600 -0.240 0.000 1.030 178 S CA 1.581 59.472 58.200 -0.515 0.000 1.003 178 S CB -1.195 61.848 63.200 -0.262 0.000 0.813 178 S HN 0.698 nan 8.310 nan 0.000 0.477 179 N N 2.187 120.750 118.700 -0.229 0.000 2.061 179 N HA -0.123 4.616 4.740 -0.001 0.000 0.193 179 N C 1.711 177.157 175.510 -0.108 0.000 1.030 179 N CA 1.971 54.854 53.050 -0.279 0.000 0.856 179 N CB -0.618 37.195 38.487 -1.124 0.000 1.023 179 N HN 0.606 nan 8.380 nan 0.000 0.424 180 E N 0.604 120.680 120.200 -0.207 0.000 2.152 180 E HA 0.105 4.455 4.350 -0.001 0.000 0.192 180 E C 1.939 178.650 176.600 0.186 0.000 0.983 180 E CA 0.787 57.240 56.400 0.088 0.000 0.818 180 E CB -0.293 29.424 29.700 0.028 0.000 0.758 180 E HN 0.359 nan 8.360 nan 0.000 0.467 181 A N 0.341 123.136 122.820 -0.043 0.000 1.948 181 A HA -0.210 4.109 4.320 -0.001 0.000 0.220 181 A C 1.736 179.380 177.584 0.099 0.000 1.177 181 A CA 1.295 53.289 52.037 -0.072 0.000 0.636 181 A CB -0.848 17.689 19.000 -0.772 0.000 0.815 181 A HN 0.261 nan 8.150 nan 0.000 0.449 182 F N -2.372 117.672 119.950 0.157 0.000 2.451 182 F HA -0.052 4.474 4.527 -0.001 0.000 0.299 182 F C 1.283 176.857 175.800 -0.377 0.000 1.101 182 F CA 1.077 59.019 58.000 -0.097 0.000 1.436 182 F CB -0.234 38.629 39.000 -0.228 0.000 1.074 182 F HN 0.338 nan 8.300 nan 0.000 0.553 183 Y N -1.118 119.422 120.300 0.399 0.000 2.588 183 Y HA 0.316 4.866 4.550 -0.001 0.000 0.247 183 Y C 0.438 176.539 175.900 0.335 0.000 1.157 183 Y CA -0.874 57.424 58.100 0.330 0.000 1.215 183 Y CB -0.218 38.437 38.460 0.326 0.000 1.245 183 Y HN -0.279 nan 8.280 nan 0.000 0.534 184 L N 2.960 124.484 121.223 0.501 0.000 2.640 184 L HA -0.067 4.272 4.340 -0.001 0.000 0.280 184 L C -1.445 175.745 176.870 0.534 0.000 1.229 184 L CA -0.716 54.391 54.840 0.445 0.000 0.919 184 L CB 0.534 42.805 42.059 0.353 0.000 1.168 184 L HN 0.021 nan 8.230 nan 0.000 0.496 185 P HA -0.040 nan 4.420 nan 0.000 0.221 185 P C -0.371 177.114 177.300 0.308 0.000 1.150 185 P CA 1.155 64.428 63.100 0.287 0.000 0.800 185 P CB 0.412 32.217 31.700 0.175 0.000 0.787 186 E N -1.021 119.280 120.200 0.169 0.000 2.340 186 E HA 0.325 4.675 4.350 -0.001 0.000 0.273 186 E C -2.758 173.569 176.600 -0.456 0.000 0.891 186 E CA -2.608 53.790 56.400 -0.004 0.000 0.757 186 E CB 1.990 31.685 29.700 -0.008 0.000 1.231 186 E HN -0.083 nan 8.360 nan 0.000 0.439 187 P HA 0.191 nan 4.420 nan 0.000 0.280 187 P C -2.585 174.429 177.300 -0.477 0.000 1.244 187 P CA -1.586 60.896 63.100 -1.030 0.000 0.784 187 P CB 0.013 31.320 31.700 -0.655 0.000 0.913 188 P HA 0.227 nan 4.420 nan 0.000 0.280 188 P C 0.929 178.086 177.300 -0.238 0.000 1.244 188 P CA -0.308 62.584 63.100 -0.348 0.000 0.784 188 P CB 1.347 32.763 31.700 -0.473 0.000 0.913 189 R N 2.752 123.158 120.500 -0.157 0.000 2.080 189 R HA -0.099 4.241 4.340 -0.001 0.000 0.236 189 R C 0.430 176.667 176.300 -0.105 0.000 1.137 189 R CA 1.408 57.448 56.100 -0.100 0.000 0.943 189 R CB 0.133 30.391 30.300 -0.070 0.000 0.846 189 R HN 0.516 nan 8.270 nan 0.000 0.431 190 R N -0.179 120.246 120.500 -0.126 0.000 2.437 190 R HA 0.396 4.735 4.340 -0.001 0.000 0.310 190 R C -1.460 174.731 176.300 -0.182 0.000 0.955 190 R CA -0.461 55.569 56.100 -0.118 0.000 0.851 190 R CB 2.728 32.981 30.300 -0.077 0.000 1.161 190 R HN -0.008 nan 8.270 nan 0.000 0.446 191 V N 4.623 124.422 119.914 -0.191 0.000 2.760 191 V HA 0.490 4.609 4.120 -0.001 0.000 0.309 191 V C -1.645 174.368 176.094 -0.135 0.000 1.077 191 V CA -1.046 61.090 62.300 -0.274 0.000 0.910 191 V CB 2.044 33.498 31.823 -0.615 0.000 1.008 191 V HN 0.613 nan 8.190 nan 0.000 0.424 192 L N 6.587 127.747 121.223 -0.106 0.000 2.272 192 L HA 0.757 5.097 4.340 -0.001 0.000 0.289 192 L C 0.308 177.171 176.870 -0.011 0.000 1.032 192 L CA 0.448 55.277 54.840 -0.019 0.000 0.810 192 L CB 1.600 43.671 42.059 0.019 0.000 1.205 192 L HN 0.928 nan 8.230 nan 0.000 0.422 193 T N 2.427 117.009 114.554 0.047 0.000 2.795 193 T HA 0.641 4.991 4.350 -0.001 0.000 0.282 193 T C -0.300 174.443 174.700 0.071 0.000 0.980 193 T CA -0.740 61.399 62.100 0.064 0.000 1.012 193 T CB 1.172 70.115 68.868 0.125 0.000 0.936 193 T HN 0.323 nan 8.240 nan 0.000 0.457 194 V N 3.124 123.070 119.914 0.053 0.000 2.347 194 V HA 0.831 4.951 4.120 -0.001 0.000 0.280 194 V C 0.778 176.923 176.094 0.087 0.000 1.021 194 V CA 0.099 62.449 62.300 0.083 0.000 0.847 194 V CB 0.296 32.152 31.823 0.054 0.000 0.990 194 V HN 1.503 nan 8.190 nan 0.000 0.444 195 G N 3.339 112.227 108.800 0.147 0.000 2.326 195 G HA2 0.345 4.305 3.960 -0.001 0.000 0.478 195 G HA3 0.345 4.305 3.960 -0.001 0.000 0.478 195 G C 0.177 175.102 174.900 0.043 0.000 1.551 195 G CA -0.294 44.892 45.100 0.143 0.000 0.946 195 G HN 0.974 nan 8.290 nan 0.000 0.671 196 G N -0.426 108.252 108.800 -0.202 0.000 3.126 196 G HA2 0.578 4.538 3.960 -0.001 0.000 0.224 196 G HA3 0.578 4.538 3.960 -0.001 0.000 0.224 196 G C 0.940 175.618 174.900 -0.370 0.000 1.142 196 G CA 1.195 45.886 45.100 -0.682 0.000 0.759 196 G HN 1.297 nan 8.290 nan 0.000 0.550 197 G N 0.064 108.765 108.800 -0.164 0.000 2.525 197 G HA2 0.391 4.350 3.960 -0.001 0.000 0.287 197 G HA3 0.391 4.350 3.960 -0.001 0.000 0.287 197 G C 0.824 175.732 174.900 0.013 0.000 1.350 197 G CA -0.276 44.827 45.100 0.005 0.000 1.039 197 G HN 0.213 nan 8.290 nan 0.000 0.513 198 F N -1.104 118.861 119.950 0.024 0.000 2.234 198 F HA 0.075 4.601 4.527 -0.001 0.000 0.299 198 F C 2.105 177.930 175.800 0.043 0.000 1.087 198 F CA 0.790 58.784 58.000 -0.011 0.000 1.340 198 F CB -0.542 38.473 39.000 0.026 0.000 1.031 198 F HN 0.181 nan 8.300 nan 0.000 0.500 199 I N 0.126 120.187 120.570 -0.847 0.000 2.252 199 I HA -0.247 3.923 4.170 -0.001 0.000 0.245 199 I C 2.838 178.915 176.117 -0.067 0.000 1.102 199 I CA 1.506 62.502 61.300 -0.507 0.000 1.385 199 I CB -0.645 37.039 38.000 -0.526 0.000 1.064 199 I HN 0.393 nan 8.210 nan 0.000 0.414 200 S N 0.507 116.155 115.700 -0.087 0.000 2.355 200 S HA -0.128 4.342 4.470 -0.001 0.000 0.222 200 S C 2.137 176.768 174.600 0.051 0.000 1.031 200 S CA 1.320 59.529 58.200 0.016 0.000 0.993 200 S CB -0.261 62.934 63.200 -0.009 0.000 0.859 200 S HN 0.208 nan 8.310 nan 0.000 0.453 201 V N 1.878 121.792 119.914 -0.000 0.000 2.287 201 V HA -0.186 3.933 4.120 -0.001 0.000 0.248 201 V C 2.521 178.620 176.094 0.009 0.000 1.053 201 V CA 2.312 64.611 62.300 -0.002 0.000 1.027 201 V CB -0.815 30.983 31.823 -0.041 0.000 0.646 201 V HN 0.547 nan 8.190 nan 0.000 0.447 202 E N -0.804 119.400 120.200 0.007 0.000 2.047 202 E HA -0.161 4.188 4.350 -0.001 0.000 0.191 202 E C 2.096 178.601 176.600 -0.159 0.000 0.987 202 E CA 1.257 57.629 56.400 -0.047 0.000 0.799 202 E CB -0.202 29.486 29.700 -0.020 0.000 0.752 202 E HN 0.571 nan 8.360 nan 0.000 0.449 203 F N 1.059 120.925 119.950 -0.141 0.000 2.216 203 F HA -0.175 4.352 4.527 -0.001 0.000 0.300 203 F C 2.344 178.056 175.800 -0.146 0.000 1.085 203 F CA 1.049 58.887 58.000 -0.270 0.000 1.326 203 F CB -0.380 38.456 39.000 -0.273 0.000 1.027 203 F HN 0.014 nan 8.300 nan 0.000 0.497 204 A N 0.096 123.014 122.820 0.164 0.000 1.883 204 A HA -0.155 4.165 4.320 -0.001 0.000 0.217 204 A C 2.557 180.215 177.584 0.124 0.000 1.186 204 A CA 1.986 54.134 52.037 0.184 0.000 0.624 204 A CB -1.600 17.466 19.000 0.110 0.000 0.822 204 A HN 0.404 nan 8.150 nan 0.000 0.444 205 G N -0.571 108.254 108.800 0.041 0.000 2.448 205 G HA2 -0.050 3.909 3.960 -0.001 0.000 0.218 205 G HA3 -0.050 3.909 3.960 -0.001 0.000 0.218 205 G C 1.496 176.417 174.900 0.035 0.000 1.135 205 G CA 0.898 46.016 45.100 0.030 0.000 0.784 205 G HN 0.476 nan 8.290 nan 0.000 0.543 206 I N -0.090 120.447 120.570 -0.055 0.000 2.179 206 I HA -0.116 4.054 4.170 -0.001 0.000 0.242 206 I C 2.325 178.545 176.117 0.171 0.000 1.088 206 I CA 0.909 62.187 61.300 -0.036 0.000 1.357 206 I CB -0.230 37.548 38.000 -0.369 0.000 1.051 206 I HN 0.040 nan 8.210 nan 0.000 0.409 207 F N 0.924 120.984 119.950 0.183 0.000 2.234 207 F HA -0.180 4.346 4.527 -0.001 0.000 0.299 207 F C 2.317 178.176 175.800 0.099 0.000 1.087 207 F CA 1.288 59.355 58.000 0.112 0.000 1.340 207 F CB -1.191 37.830 39.000 0.034 0.000 1.031 207 F HN 0.136 nan 8.300 nan 0.000 0.500 208 N N 0.432 119.289 118.700 0.262 0.000 2.149 208 N HA -0.163 4.577 4.740 -0.001 0.000 0.188 208 N C 1.758 177.343 175.510 0.125 0.000 1.019 208 N CA 1.478 54.618 53.050 0.149 0.000 0.857 208 N CB -0.226 38.319 38.487 0.096 0.000 0.997 208 N HN 0.180 nan 8.380 nan 0.000 0.426 209 A N -1.714 121.199 122.820 0.156 0.000 2.021 209 A HA 0.065 4.385 4.320 -0.001 0.000 0.216 209 A C 1.228 178.788 177.584 -0.039 0.000 1.163 209 A CA 0.647 52.709 52.037 0.041 0.000 0.676 209 A CB -0.406 18.609 19.000 0.024 0.000 0.818 209 A HN 0.451 nan 8.150 nan 0.000 0.453 210 Y N 0.693 121.095 120.300 0.170 0.000 2.467 210 Y HA 0.142 4.692 4.550 -0.001 0.000 0.250 210 Y C 0.715 176.681 175.900 0.110 0.000 1.155 210 Y CA -0.234 57.991 58.100 0.209 0.000 1.249 210 Y CB 0.271 38.985 38.460 0.423 0.000 1.146 210 Y HN 0.276 nan 8.280 nan 0.000 0.524 211 K N 2.265 122.776 120.400 0.184 0.000 2.524 211 K HA 0.066 4.386 4.320 -0.001 0.000 0.279 211 K C -2.655 173.975 176.600 0.050 0.000 0.993 211 K CA -1.279 55.049 56.287 0.068 0.000 1.030 211 K CB -0.159 32.365 32.500 0.040 0.000 0.891 211 K HN -0.028 nan 8.250 nan 0.000 0.488 212 P HA 0.145 nan 4.420 nan 0.000 0.275 212 P C -2.476 174.833 177.300 0.016 0.000 1.270 212 P CA -1.477 61.638 63.100 0.026 0.000 0.791 212 P CB -0.752 30.954 31.700 0.009 0.000 1.089 213 P HA 0.069 nan 4.420 nan 0.000 0.264 213 P C 0.881 178.182 177.300 0.002 0.000 1.183 213 P CA 1.504 64.612 63.100 0.012 0.000 0.763 213 P CB -0.386 31.322 31.700 0.014 0.000 0.807 214 G N 1.758 110.558 108.800 0.001 0.000 2.143 214 G HA2 -0.137 3.823 3.960 -0.001 0.000 0.248 214 G HA3 -0.137 3.823 3.960 -0.001 0.000 0.248 214 G C 0.573 175.467 174.900 -0.011 0.000 0.991 214 G CA -0.228 44.869 45.100 -0.005 0.000 0.689 214 G HN 0.889 nan 8.290 nan 0.000 0.522 215 G N -0.886 107.908 108.800 -0.010 0.000 2.528 215 G HA2 0.676 4.635 3.960 -0.001 0.000 0.289 215 G HA3 0.676 4.635 3.960 -0.001 0.000 0.289 215 G C -0.365 174.526 174.900 -0.015 0.000 1.192 215 G CA 0.145 45.234 45.100 -0.019 0.000 0.921 215 G HN 0.698 nan 8.290 nan 0.000 0.512 216 K N -0.570 119.816 120.400 -0.023 0.000 2.525 216 K HA 0.512 4.831 4.320 -0.001 0.000 0.254 216 K C -1.343 175.247 176.600 -0.018 0.000 0.934 216 K CA -0.549 55.728 56.287 -0.016 0.000 0.802 216 K CB 2.124 34.613 32.500 -0.018 0.000 1.295 216 K HN 0.321 nan 8.250 nan 0.000 0.433 217 V N 3.345 123.263 119.914 0.006 0.000 2.435 217 V HA 0.590 4.709 4.120 -0.001 0.000 0.290 217 V C -0.561 175.545 176.094 0.019 0.000 1.030 217 V CA -0.515 61.798 62.300 0.022 0.000 0.881 217 V CB 1.836 33.709 31.823 0.084 0.000 0.983 217 V HN 0.882 nan 8.190 nan 0.000 0.445 218 T N 5.961 120.526 114.554 0.019 0.000 2.841 218 T HA 0.621 4.970 4.350 -0.001 0.000 0.283 218 T C -0.750 173.978 174.700 0.048 0.000 1.000 218 T CA -0.352 61.762 62.100 0.023 0.000 0.977 218 T CB 1.661 70.542 68.868 0.021 0.000 0.979 218 T HN 0.515 nan 8.240 nan 0.000 0.446 219 L N 3.601 124.852 121.223 0.047 0.000 2.341 219 L HA 0.763 5.102 4.340 -0.001 0.000 0.278 219 L C -0.399 176.518 176.870 0.077 0.000 1.005 219 L CA -0.659 54.222 54.840 0.069 0.000 0.818 219 L CB 0.549 42.642 42.059 0.058 0.000 1.259 219 L HN 0.983 nan 8.230 nan 0.000 0.418 220 C N 2.716 122.088 119.300 0.121 0.000 2.529 220 C HA 0.770 5.230 4.460 -0.001 0.000 0.329 220 C C -0.789 174.335 174.990 0.223 0.000 1.194 220 C CA -0.969 58.131 59.018 0.136 0.000 1.779 220 C CB 0.965 28.822 27.740 0.194 0.000 2.322 220 C HN 0.825 nan 8.230 nan 0.000 0.500 221 Y N 2.352 122.671 120.300 0.032 0.000 2.513 221 Y HA 0.525 5.074 4.550 -0.001 0.000 0.340 221 Y C 1.133 177.054 175.900 0.035 0.000 1.055 221 Y CA -1.020 57.103 58.100 0.039 0.000 1.020 221 Y CB 1.383 39.862 38.460 0.031 0.000 1.301 221 Y HN 0.913 nan 8.280 nan 0.000 0.453 222 R N 1.974 122.141 120.500 -0.555 0.000 2.235 222 R HA 0.069 4.408 4.340 -0.001 0.000 0.213 222 R C -0.684 175.268 176.300 -0.580 0.000 1.059 222 R CA 1.119 56.961 56.100 -0.430 0.000 0.997 222 R CB -0.309 29.860 30.300 -0.218 0.000 0.884 222 R HN 0.659 nan 8.270 nan 0.000 0.462 223 N N 0.452 118.450 118.700 -1.170 0.000 2.823 223 N HA 0.035 4.775 4.740 -0.001 0.000 0.324 223 N C 0.249 175.598 175.510 -0.268 0.000 1.336 223 N CA -0.498 52.208 53.050 -0.575 0.000 0.861 223 N CB 0.291 38.553 38.487 -0.375 0.000 1.157 223 N HN 0.035 nan 8.380 nan 0.000 0.585 224 N N 0.269 118.959 118.700 -0.017 0.000 2.405 224 N HA 0.004 4.743 4.740 -0.001 0.000 0.175 224 N C -0.577 175.012 175.510 0.133 0.000 1.051 224 N CA 0.520 53.596 53.050 0.043 0.000 0.899 224 N CB 0.399 38.896 38.487 0.018 0.000 1.000 224 N HN 0.361 nan 8.380 nan 0.000 0.451 225 L N 1.455 122.826 121.223 0.246 0.000 2.482 225 L HA 0.464 4.804 4.340 -0.001 0.000 0.263 225 L C -0.368 176.633 176.870 0.218 0.000 0.957 225 L CA -0.975 53.983 54.840 0.197 0.000 0.836 225 L CB 1.777 43.902 42.059 0.109 0.000 1.324 225 L HN 0.108 nan 8.230 nan 0.000 0.406 226 I N 1.967 122.573 120.570 0.060 0.000 3.112 226 I HA 0.274 4.444 4.170 -0.001 0.000 0.284 226 I C 0.251 176.287 176.117 -0.134 0.000 1.227 226 I CA -0.531 60.649 61.300 -0.200 0.000 1.369 226 I CB 0.174 38.080 38.000 -0.158 0.000 1.376 226 I HN 0.815 nan 8.210 nan 0.000 0.608 227 L N 1.323 122.429 121.223 -0.194 0.000 3.533 227 L HA -0.177 4.163 4.340 -0.001 0.000 0.477 227 L C 0.382 177.370 176.870 0.196 0.000 1.306 227 L CA 0.222 55.086 54.840 0.040 0.000 0.850 227 L CB -1.617 40.413 42.059 -0.049 0.000 1.654 227 L HN 0.738 nan 8.230 nan 0.000 0.863 228 R N 0.524 121.080 120.500 0.094 0.000 2.756 228 R HA 0.283 4.623 4.340 -0.001 0.000 0.264 228 R C 1.438 177.801 176.300 0.106 0.000 1.026 228 R CA 0.768 56.937 56.100 0.115 0.000 1.121 228 R CB 0.265 30.640 30.300 0.124 0.000 0.999 228 R HN 0.508 nan 8.270 nan 0.000 0.449 229 G N 1.034 109.841 108.800 0.011 0.000 2.317 229 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.227 229 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.227 229 G C -0.017 174.698 174.900 -0.308 0.000 1.042 229 G CA -0.223 44.784 45.100 -0.156 0.000 0.623 229 G HN 0.466 nan 8.290 nan 0.000 0.509 230 F N 1.993 121.927 119.950 -0.026 0.000 2.380 230 F HA 0.494 5.020 4.527 -0.001 0.000 0.319 230 F C 0.954 176.691 175.800 -0.106 0.000 1.113 230 F CA -0.276 57.694 58.000 -0.049 0.000 1.056 230 F CB 0.454 39.432 39.000 -0.035 0.000 1.289 230 F HN 0.064 nan 8.300 nan 0.000 0.515 231 D N 1.420 121.829 120.400 0.014 0.000 2.493 231 D HA -0.096 4.544 4.640 -0.001 0.000 0.240 231 D C 0.888 177.177 176.300 -0.020 0.000 1.142 231 D CA 0.232 54.140 54.000 -0.153 0.000 0.872 231 D CB 0.873 41.530 40.800 -0.239 0.000 1.173 231 D HN 0.805 nan 8.370 nan 0.000 0.467 232 E N 2.250 122.439 120.200 -0.019 0.000 2.077 232 E HA -0.195 4.154 4.350 -0.001 0.000 0.193 232 E C 1.378 177.993 176.600 0.024 0.000 0.989 232 E CA 1.608 58.020 56.400 0.020 0.000 0.800 232 E CB 0.156 29.875 29.700 0.032 0.000 0.746 232 E HN 0.591 nan 8.360 nan 0.000 0.452 233 T N 1.350 115.922 114.554 0.029 0.000 2.720 233 T HA -0.158 4.192 4.350 -0.001 0.000 0.268 233 T C 1.929 176.633 174.700 0.007 0.000 1.037 233 T CA 1.454 63.572 62.100 0.030 0.000 1.144 233 T CB -0.261 68.638 68.868 0.051 0.000 0.864 233 T HN 0.198 nan 8.240 nan 0.000 0.444 234 I N 0.858 121.427 120.570 -0.002 0.000 2.208 234 I HA -0.232 3.937 4.170 -0.001 0.000 0.245 234 I C 2.825 178.923 176.117 -0.033 0.000 1.097 234 I CA 1.416 62.700 61.300 -0.027 0.000 1.363 234 I CB -0.321 37.670 38.000 -0.016 0.000 1.051 234 I HN 0.189 nan 8.210 nan 0.000 0.413 235 R N 0.690 121.189 120.500 -0.003 0.000 2.080 235 R HA -0.200 4.140 4.340 -0.001 0.000 0.236 235 R C 2.201 178.495 176.300 -0.011 0.000 1.137 235 R CA 1.726 57.822 56.100 -0.006 0.000 0.943 235 R CB -0.440 29.878 30.300 0.031 0.000 0.846 235 R HN 0.435 nan 8.270 nan 0.000 0.431 236 E N 0.295 120.496 120.200 0.002 0.000 2.058 236 E HA -0.213 4.136 4.350 -0.001 0.000 0.194 236 E C 2.073 178.668 176.600 -0.008 0.000 0.997 236 E CA 0.997 57.399 56.400 0.002 0.000 0.801 236 E CB -0.011 29.694 29.700 0.009 0.000 0.746 236 E HN 0.224 nan 8.360 nan 0.000 0.450 237 E N 0.441 120.631 120.200 -0.015 0.000 2.072 237 E HA -0.117 4.233 4.350 -0.001 0.000 0.191 237 E C 2.128 178.711 176.600 -0.028 0.000 0.985 237 E CA 0.473 56.861 56.400 -0.021 0.000 0.801 237 E CB -0.250 29.427 29.700 -0.039 0.000 0.750 237 E HN 0.078 nan 8.360 nan 0.000 0.452 238 V N 0.594 120.479 119.914 -0.048 0.000 2.591 238 V HA -0.180 3.939 4.120 -0.001 0.000 0.249 238 V C 2.015 178.084 176.094 -0.042 0.000 1.053 238 V CA 1.915 64.179 62.300 -0.060 0.000 1.068 238 V CB -0.406 31.355 31.823 -0.104 0.000 0.689 238 V HN 0.299 nan 8.190 nan 0.000 0.462 239 T N 0.132 114.665 114.554 -0.036 0.000 2.624 239 T HA -0.315 4.034 4.350 -0.001 0.000 0.268 239 T C 1.848 176.533 174.700 -0.025 0.000 1.041 239 T CA 2.224 64.309 62.100 -0.024 0.000 1.159 239 T CB -0.280 68.581 68.868 -0.011 0.000 0.863 239 T HN 0.480 nan 8.240 nan 0.000 0.434 240 K N 0.672 121.062 120.400 -0.017 0.000 2.103 240 K HA -0.123 4.196 4.320 -0.001 0.000 0.207 240 K C 2.625 179.211 176.600 -0.024 0.000 1.048 240 K CA 1.399 57.676 56.287 -0.016 0.000 0.930 240 K CB -0.127 32.377 32.500 0.006 0.000 0.716 240 K HN 0.466 nan 8.250 nan 0.000 0.444 241 Q N 0.253 120.059 119.800 0.011 0.000 2.212 241 Q HA 0.019 4.359 4.340 -0.001 0.000 0.199 241 Q C 2.122 178.107 176.000 -0.024 0.000 0.950 241 Q CA 0.554 56.397 55.803 0.066 0.000 0.863 241 Q CB 0.126 28.945 28.738 0.134 0.000 0.944 241 Q HN 0.268 nan 8.270 nan 0.000 0.465 242 L N 0.063 121.266 121.223 -0.034 0.000 2.017 242 L HA -0.184 4.155 4.340 -0.001 0.000 0.208 242 L C 2.380 179.202 176.870 -0.080 0.000 1.073 242 L CA 1.332 56.146 54.840 -0.043 0.000 0.745 242 L CB -0.750 41.292 42.059 -0.029 0.000 0.894 242 L HN 0.232 nan 8.230 nan 0.000 0.432 243 T N 0.169 114.672 114.554 -0.085 0.000 2.635 243 T HA -0.267 4.083 4.350 -0.001 0.000 0.267 243 T C 1.970 176.561 174.700 -0.182 0.000 1.040 243 T CA 1.567 63.604 62.100 -0.105 0.000 1.156 243 T CB -0.433 68.387 68.868 -0.080 0.000 0.863 243 T HN 0.461 nan 8.240 nan 0.000 0.430 244 A N 1.496 124.143 122.820 -0.288 0.000 2.032 244 A HA -0.135 4.185 4.320 -0.001 0.000 0.221 244 A C 2.008 179.256 177.584 -0.560 0.000 1.165 244 A CA 1.729 53.441 52.037 -0.543 0.000 0.645 244 A CB -0.617 17.759 19.000 -1.040 0.000 0.807 244 A HN 0.459 nan 8.150 nan 0.000 0.453 245 N N -1.482 116.997 118.700 -0.368 0.000 2.276 245 N HA 0.279 5.019 4.740 -0.001 0.000 0.212 245 N C 0.800 176.246 175.510 -0.106 0.000 1.127 245 N CA 1.006 53.931 53.050 -0.207 0.000 0.834 245 N CB 0.231 38.668 38.487 -0.082 0.000 1.014 245 N HN 0.532 nan 8.380 nan 0.000 0.491 246 G N 0.008 108.741 108.800 -0.112 0.000 2.159 246 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.227 246 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.227 246 G C -0.075 174.802 174.900 -0.039 0.000 0.986 246 G CA -0.121 44.940 45.100 -0.065 0.000 0.651 246 G HN 0.275 nan 8.290 nan 0.000 0.523 247 I N 1.268 121.815 120.570 -0.039 0.000 2.342 247 I HA 0.417 4.586 4.170 -0.001 0.000 0.291 247 I C 0.510 176.612 176.117 -0.024 0.000 1.010 247 I CA -0.723 60.568 61.300 -0.014 0.000 1.308 247 I CB 1.442 39.443 38.000 0.001 0.000 1.400 247 I HN 0.215 nan 8.210 nan 0.000 0.488 248 E N 7.481 127.670 120.200 -0.018 0.000 2.259 248 E HA 0.370 4.720 4.350 -0.001 0.000 0.281 248 E C -1.082 175.508 176.600 -0.017 0.000 1.037 248 E CA -0.068 56.316 56.400 -0.026 0.000 0.854 248 E CB 0.699 30.381 29.700 -0.030 0.000 1.051 248 E HN 0.432 nan 8.360 nan 0.000 0.409 249 I N 5.779 126.336 120.570 -0.021 0.000 2.355 249 I HA 0.241 4.410 4.170 -0.001 0.000 0.288 249 I C -0.257 175.846 176.117 -0.023 0.000 0.999 249 I CA -0.466 60.830 61.300 -0.007 0.000 1.163 249 I CB 1.058 39.058 38.000 -0.000 0.000 1.316 249 I HN 0.495 nan 8.210 nan 0.000 0.454 250 M N 6.594 126.176 119.600 -0.030 0.000 2.047 250 M HA 0.289 4.768 4.480 -0.001 0.000 0.342 250 M C 0.007 176.288 176.300 -0.032 0.000 1.058 250 M CA -0.556 54.694 55.300 -0.083 0.000 0.991 250 M CB 1.101 33.586 32.600 -0.192 0.000 1.474 250 M HN 0.538 nan 8.290 nan 0.000 0.419 251 T N -1.065 113.480 114.554 -0.016 0.000 2.902 251 T HA 0.368 4.718 4.350 -0.001 0.000 0.280 251 T C 0.784 175.447 174.700 -0.062 0.000 0.992 251 T CA -0.782 61.324 62.100 0.009 0.000 1.015 251 T CB 0.790 69.691 68.868 0.054 0.000 1.044 251 T HN 0.752 nan 8.240 nan 0.000 0.520 252 N N 0.402 119.042 118.700 -0.099 0.000 2.714 252 N HA -0.137 4.602 4.740 -0.001 0.000 0.250 252 N C -0.784 174.668 175.510 -0.097 0.000 1.117 252 N CA 0.921 53.904 53.050 -0.111 0.000 0.719 252 N CB -0.726 37.715 38.487 -0.076 0.000 1.081 252 N HN 0.727 nan 8.380 nan 0.000 0.557 253 E N 0.483 120.628 120.200 -0.092 0.000 2.266 253 E HA 0.524 4.874 4.350 -0.001 0.000 0.268 253 E C -0.605 176.052 176.600 0.094 0.000 0.879 253 E CA -0.581 55.789 56.400 -0.050 0.000 0.762 253 E CB 2.139 31.680 29.700 -0.265 0.000 1.199 253 E HN 0.168 nan 8.360 nan 0.000 0.422 254 N N 1.699 120.550 118.700 0.252 0.000 2.369 254 N HA 0.378 5.117 4.740 -0.001 0.000 0.287 254 N C -2.995 172.639 175.510 0.206 0.000 1.067 254 N CA -1.789 51.389 53.050 0.213 0.000 0.888 254 N CB 2.106 40.636 38.487 0.071 0.000 1.616 254 N HN -0.008 nan 8.380 nan 0.000 0.482 255 P HA 0.196 nan 4.420 nan 0.000 0.271 255 P C -0.456 176.755 177.300 -0.147 0.000 1.226 255 P CA -0.046 62.877 63.100 -0.294 0.000 0.765 255 P CB 1.083 32.600 31.700 -0.306 0.000 0.835 256 A N 4.632 127.356 122.820 -0.160 0.000 2.014 256 A HA 0.112 4.432 4.320 -0.001 0.000 0.210 256 A C 0.586 178.121 177.584 -0.082 0.000 1.188 256 A CA 1.127 53.118 52.037 -0.078 0.000 0.731 256 A CB -0.230 18.744 19.000 -0.043 0.000 0.858 256 A HN 0.593 nan 8.150 nan 0.000 0.464 257 K N -2.017 118.307 120.400 -0.127 0.000 2.575 257 K HA 0.647 4.967 4.320 -0.001 0.000 0.279 257 K C -1.843 174.695 176.600 -0.104 0.000 0.969 257 K CA -0.781 55.458 56.287 -0.080 0.000 0.868 257 K CB 1.711 34.192 32.500 -0.031 0.000 1.457 257 K HN -0.096 nan 8.250 nan 0.000 0.426 258 V N 1.232 121.130 119.914 -0.027 0.000 2.709 258 V HA 0.625 4.745 4.120 -0.001 0.000 0.308 258 V C -0.745 175.409 176.094 0.100 0.000 1.062 258 V CA -0.464 61.839 62.300 0.005 0.000 0.901 258 V CB 1.631 33.469 31.823 0.026 0.000 1.003 258 V HN 1.026 nan 8.190 nan 0.000 0.425 259 S N 4.295 120.020 115.700 0.041 0.000 2.661 259 S HA 0.818 5.287 4.470 -0.001 0.000 0.285 259 S C -1.156 173.341 174.600 -0.173 0.000 1.138 259 S CA -0.937 57.248 58.200 -0.026 0.000 0.855 259 S CB 1.804 65.017 63.200 0.022 0.000 1.136 259 S HN 0.487 nan 8.310 nan 0.000 0.484 260 L N 2.262 123.318 121.223 -0.279 0.000 2.282 260 L HA 0.465 4.804 4.340 -0.001 0.000 0.288 260 L C 0.096 176.881 176.870 -0.141 0.000 1.033 260 L CA -0.974 53.705 54.840 -0.269 0.000 0.807 260 L CB 0.940 42.801 42.059 -0.330 0.000 1.209 260 L HN 0.671 nan 8.230 nan 0.000 0.423 261 N N 0.614 119.251 118.700 -0.105 0.000 2.326 261 N HA 0.002 4.741 4.740 -0.001 0.000 0.239 261 N C 1.289 176.749 175.510 -0.083 0.000 1.301 261 N CA 0.335 53.327 53.050 -0.096 0.000 0.909 261 N CB 0.779 39.222 38.487 -0.072 0.000 1.156 261 N HN 0.682 nan 8.380 nan 0.000 0.462 262 T N -2.369 112.142 114.554 -0.073 0.000 2.833 262 T HA -0.191 4.158 4.350 -0.001 0.000 0.269 262 T C 0.886 175.558 174.700 -0.046 0.000 1.054 262 T CA 1.398 63.465 62.100 -0.055 0.000 1.135 262 T CB -0.243 68.596 68.868 -0.048 0.000 0.869 262 T HN 0.609 nan 8.240 nan 0.000 0.466 263 D N 0.916 121.289 120.400 -0.045 0.000 2.349 263 D HA 0.236 4.876 4.640 -0.001 0.000 0.224 263 D C 1.670 177.946 176.300 -0.042 0.000 1.029 263 D CA 0.656 54.634 54.000 -0.037 0.000 0.879 263 D CB -0.743 40.038 40.800 -0.032 0.000 0.906 263 D HN 0.656 nan 8.370 nan 0.000 0.528 264 G N -0.081 108.685 108.800 -0.056 0.000 2.194 264 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.236 264 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.236 264 G C 0.447 175.303 174.900 -0.074 0.000 0.987 264 G CA 0.305 45.366 45.100 -0.064 0.000 0.635 264 G HN 0.802 nan 8.290 nan 0.000 0.520 265 S N -0.298 115.364 115.700 -0.063 0.000 2.600 265 S HA 0.672 5.142 4.470 -0.001 0.000 0.265 265 S C 0.051 174.608 174.600 -0.072 0.000 1.325 265 S CA 0.012 58.176 58.200 -0.060 0.000 1.002 265 S CB 1.541 64.717 63.200 -0.040 0.000 0.921 265 S HN 0.323 nan 8.310 nan 0.000 0.554 266 K N 0.949 121.310 120.400 -0.065 0.000 2.183 266 K HA 0.405 4.724 4.320 -0.001 0.000 0.274 266 K C -0.765 175.832 176.600 -0.004 0.000 1.009 266 K CA -0.266 55.981 56.287 -0.068 0.000 0.888 266 K CB 0.722 33.179 32.500 -0.073 0.000 1.078 266 K HN 0.744 nan 8.250 nan 0.000 0.459 267 H N 1.235 120.241 119.070 -0.106 0.000 2.504 267 H HA 0.515 5.070 4.556 -0.001 0.000 0.322 267 H C -1.246 174.021 175.328 -0.101 0.000 1.055 267 H CA -0.697 55.302 56.048 -0.081 0.000 1.231 267 H CB 0.715 30.435 29.762 -0.070 0.000 1.417 267 H HN 0.249 nan 8.280 nan 0.000 0.472 268 V N 5.367 125.017 119.914 -0.440 0.000 2.448 268 V HA 0.327 4.447 4.120 -0.001 0.000 0.295 268 V C -0.131 175.615 176.094 -0.580 0.000 1.025 268 V CA -0.713 61.318 62.300 -0.448 0.000 0.859 268 V CB 1.866 33.397 31.823 -0.488 0.000 0.988 268 V HN 0.900 nan 8.190 nan 0.000 0.431 269 T N 5.628 119.906 114.554 -0.461 0.000 2.770 269 T HA 0.620 4.970 4.350 -0.001 0.000 0.283 269 T C -0.335 174.127 174.700 -0.398 0.000 0.988 269 T CA -0.084 61.834 62.100 -0.304 0.000 0.957 269 T CB 0.472 69.272 68.868 -0.113 0.000 0.930 269 T HN 0.269 nan 8.240 nan 0.000 0.443 270 F N 1.082 120.990 119.950 -0.070 0.000 2.375 270 F HA 0.275 4.802 4.527 -0.001 0.000 0.313 270 F C 2.043 177.823 175.800 -0.033 0.000 1.176 270 F CA -0.686 57.285 58.000 -0.047 0.000 1.142 270 F CB 0.521 39.492 39.000 -0.048 0.000 1.275 270 F HN 0.635 nan 8.300 nan 0.000 0.544 271 E N 0.123 120.416 120.200 0.155 0.000 2.171 271 E HA -0.206 4.143 4.350 -0.001 0.000 0.197 271 E C 2.027 178.674 176.600 0.078 0.000 0.997 271 E CA 1.721 58.170 56.400 0.082 0.000 0.810 271 E CB -0.196 29.540 29.700 0.060 0.000 0.738 271 E HN 0.634 nan 8.360 nan 0.000 0.467 272 S N -0.875 114.888 115.700 0.104 0.000 2.522 272 S HA 0.071 4.541 4.470 -0.001 0.000 0.227 272 S C 1.709 176.346 174.600 0.061 0.000 0.986 272 S CA 0.550 58.783 58.200 0.056 0.000 0.929 272 S CB 0.322 63.534 63.200 0.019 0.000 0.769 272 S HN 0.416 nan 8.310 nan 0.000 0.529 273 G N 1.126 109.983 108.800 0.095 0.000 2.176 273 G HA2 -0.319 3.641 3.960 -0.001 0.000 0.253 273 G HA3 -0.319 3.641 3.960 -0.001 0.000 0.253 273 G C 0.046 175.003 174.900 0.095 0.000 0.979 273 G CA 0.312 45.460 45.100 0.079 0.000 0.641 273 G HN 0.791 nan 8.290 nan 0.000 0.530 274 K N 1.280 121.750 120.400 0.117 0.000 2.336 274 K HA 0.480 4.800 4.320 -0.001 0.000 0.262 274 K C 0.866 177.615 176.600 0.248 0.000 0.992 274 K CA 0.763 57.116 56.287 0.110 0.000 0.927 274 K CB 0.240 32.718 32.500 -0.036 0.000 0.956 274 K HN 0.453 nan 8.250 nan 0.000 0.495 275 T N 0.612 115.260 114.554 0.156 0.000 2.916 275 T HA 0.646 4.995 4.350 -0.001 0.000 0.292 275 T C -1.197 173.563 174.700 0.100 0.000 1.055 275 T CA -1.071 61.066 62.100 0.061 0.000 1.009 275 T CB 1.444 70.250 68.868 -0.103 0.000 1.118 275 T HN 0.416 nan 8.240 nan 0.000 0.497 276 L N 0.910 122.125 121.223 -0.013 0.000 2.513 276 L HA 0.560 4.899 4.340 -0.001 0.000 0.261 276 L C -1.938 174.899 176.870 -0.055 0.000 0.945 276 L CA -0.384 54.482 54.840 0.044 0.000 0.848 276 L CB 2.359 44.542 42.059 0.205 0.000 1.334 276 L HN 0.755 nan 8.230 nan 0.000 0.407 277 D N 4.079 124.485 120.400 0.010 0.000 2.280 277 D HA 0.605 5.245 4.640 -0.001 0.000 0.236 277 D C -0.359 175.936 176.300 -0.008 0.000 1.082 277 D CA 0.167 54.182 54.000 0.026 0.000 0.834 277 D CB 1.992 42.835 40.800 0.070 0.000 1.100 277 D HN 0.422 nan 8.370 nan 0.000 0.486 278 V N -0.609 119.286 119.914 -0.033 0.000 3.158 278 V HA 0.469 4.589 4.120 -0.001 0.000 0.311 278 V C 0.478 176.526 176.094 -0.077 0.000 1.181 278 V CA -0.742 61.522 62.300 -0.060 0.000 1.054 278 V CB 2.351 34.127 31.823 -0.077 0.000 1.085 278 V HN 0.255 nan 8.190 nan 0.000 0.446 279 D N -0.098 120.237 120.400 -0.108 0.000 2.240 279 D HA 0.174 4.813 4.640 -0.001 0.000 0.206 279 D C 0.178 176.393 176.300 -0.143 0.000 0.963 279 D CA 1.315 55.243 54.000 -0.120 0.000 0.863 279 D CB 1.249 41.968 40.800 -0.135 0.000 0.973 279 D HN 0.347 nan 8.370 nan 0.000 0.501 280 V N 1.406 121.207 119.914 -0.189 0.000 2.686 280 V HA 0.229 4.348 4.120 -0.001 0.000 0.306 280 V C -0.406 175.578 176.094 -0.182 0.000 1.065 280 V CA -0.810 61.367 62.300 -0.205 0.000 0.894 280 V CB 2.972 34.596 31.823 -0.332 0.000 1.004 280 V HN -0.246 nan 8.190 nan 0.000 0.424 281 V N 5.381 125.220 119.914 -0.126 0.000 2.334 281 V HA 0.455 4.575 4.120 -0.001 0.000 0.281 281 V C -0.018 176.015 176.094 -0.101 0.000 1.016 281 V CA -0.268 61.972 62.300 -0.100 0.000 0.832 281 V CB 1.432 33.211 31.823 -0.072 0.000 0.999 281 V HN 0.886 nan 8.190 nan 0.000 0.439 282 M N 6.218 125.755 119.600 -0.104 0.000 2.061 282 M HA 0.483 4.962 4.480 -0.001 0.000 0.346 282 M C -0.578 175.676 176.300 -0.077 0.000 1.112 282 M CA -0.503 54.733 55.300 -0.107 0.000 1.021 282 M CB 0.958 33.493 32.600 -0.110 0.000 1.530 282 M HN 0.472 nan 8.290 nan 0.000 0.437 283 M N 3.986 123.538 119.600 -0.081 0.000 2.184 283 M HA 0.255 4.735 4.480 -0.001 0.000 0.351 283 M C 0.021 176.273 176.300 -0.080 0.000 1.395 283 M CA 0.150 55.416 55.300 -0.057 0.000 1.117 283 M CB 0.450 33.020 32.600 -0.048 0.000 1.708 283 M HN 0.771 nan 8.290 nan 0.000 0.468 284 A N 4.856 127.645 122.820 -0.051 0.000 3.365 284 A HA 0.434 4.753 4.320 -0.001 0.000 0.258 284 A C 0.613 178.182 177.584 -0.025 0.000 0.964 284 A CA -0.493 51.501 52.037 -0.072 0.000 0.988 284 A CB -0.429 18.513 19.000 -0.096 0.000 1.193 284 A HN 0.938 nan 8.150 nan 0.000 0.508 285 I N -3.171 117.402 120.570 0.005 0.000 3.793 285 I HA 0.608 4.777 4.170 -0.001 0.000 0.315 285 I C 0.650 176.803 176.117 0.059 0.000 1.275 285 I CA 0.302 61.634 61.300 0.054 0.000 1.214 285 I CB 0.394 38.434 38.000 0.067 0.000 1.018 285 I HN 0.442 nan 8.210 nan 0.000 0.439 286 G N 1.027 109.848 108.800 0.034 0.000 2.350 286 G HA2 0.296 4.255 3.960 -0.001 0.000 0.305 286 G HA3 0.296 4.255 3.960 -0.001 0.000 0.305 286 G C -1.549 173.382 174.900 0.053 0.000 1.479 286 G CA -1.152 43.984 45.100 0.061 0.000 0.949 286 G HN 0.176 nan 8.290 nan 0.000 0.651 287 R N -0.299 120.253 120.500 0.085 0.000 2.621 287 R HA 0.655 4.995 4.340 -0.001 0.000 0.292 287 R C 0.086 176.467 176.300 0.134 0.000 0.969 287 R CA -0.873 55.287 56.100 0.101 0.000 0.887 287 R CB 2.064 32.431 30.300 0.112 0.000 1.180 287 R HN 0.711 nan 8.270 nan 0.000 0.450 288 I N -0.468 120.201 120.570 0.165 0.000 2.525 288 I HA 0.587 4.757 4.170 -0.001 0.000 0.301 288 I C -2.391 173.836 176.117 0.183 0.000 0.992 288 I CA -3.159 58.237 61.300 0.159 0.000 1.162 288 I CB 1.620 39.712 38.000 0.153 0.000 1.332 288 I HN 0.267 nan 8.210 nan 0.000 0.458 289 P HA 0.107 nan 4.420 nan 0.000 0.266 289 P C -0.995 176.391 177.300 0.144 0.000 1.195 289 P CA -0.056 63.129 63.100 0.141 0.000 0.768 289 P CB 0.360 32.124 31.700 0.106 0.000 0.838 290 R N 1.681 122.270 120.500 0.149 0.000 2.565 290 R HA 0.203 4.543 4.340 -0.001 0.000 0.286 290 R C 0.960 177.310 176.300 0.083 0.000 1.256 290 R CA 0.026 56.199 56.100 0.121 0.000 1.238 290 R CB -0.221 30.156 30.300 0.128 0.000 1.153 290 R HN 0.552 nan 8.270 nan 0.000 0.553 291 T N -2.860 111.734 114.554 0.067 0.000 2.971 291 T HA 0.038 4.387 4.350 -0.001 0.000 0.252 291 T C 1.293 176.013 174.700 0.034 0.000 1.022 291 T CA -0.130 62.001 62.100 0.052 0.000 0.980 291 T CB 0.181 69.078 68.868 0.049 0.000 1.044 291 T HN 0.294 nan 8.240 nan 0.000 0.501 292 N N 2.027 120.741 118.700 0.023 0.000 2.149 292 N HA -0.112 4.627 4.740 -0.001 0.000 0.188 292 N C 0.707 176.211 175.510 -0.010 0.000 1.019 292 N CA 1.595 54.645 53.050 0.001 0.000 0.857 292 N CB -0.105 38.372 38.487 -0.016 0.000 0.997 292 N HN 0.473 nan 8.380 nan 0.000 0.426 293 D N 0.606 121.007 120.400 0.001 0.000 2.340 293 D HA 0.049 4.688 4.640 -0.001 0.000 0.220 293 D C 1.640 177.959 176.300 0.032 0.000 1.039 293 D CA 0.109 54.110 54.000 0.002 0.000 0.866 293 D CB 0.169 41.002 40.800 0.055 0.000 0.913 293 D HN 0.281 nan 8.370 nan 0.000 0.523 294 L N 0.350 121.593 121.223 0.033 0.000 2.554 294 L HA -0.018 4.322 4.340 -0.001 0.000 0.226 294 L C 0.246 177.124 176.870 0.013 0.000 1.137 294 L CA 0.156 55.015 54.840 0.031 0.000 0.863 294 L CB -0.166 41.913 42.059 0.033 0.000 0.985 294 L HN -0.146 nan 8.230 nan 0.000 0.451 295 Q N -0.031 119.770 119.800 0.003 0.000 2.451 295 Q HA -0.226 4.114 4.340 -0.001 0.000 0.305 295 Q C 1.097 177.095 176.000 -0.003 0.000 1.345 295 Q CA 0.616 56.415 55.803 -0.006 0.000 0.854 295 Q CB -2.061 26.670 28.738 -0.011 0.000 1.162 295 Q HN 0.534 nan 8.270 nan 0.000 0.440 296 L N -1.631 119.592 121.223 0.001 0.000 2.191 296 L HA -0.156 4.183 4.340 -0.001 0.000 0.212 296 L C 2.227 179.095 176.870 -0.004 0.000 1.103 296 L CA 1.561 56.401 54.840 0.001 0.000 0.769 296 L CB -0.421 41.642 42.059 0.007 0.000 0.908 296 L HN 0.523 nan 8.230 nan 0.000 0.438 297 G N -0.100 108.698 108.800 -0.005 0.000 2.448 297 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.219 297 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.219 297 G C 1.317 176.212 174.900 -0.010 0.000 1.127 297 G CA 0.470 45.566 45.100 -0.007 0.000 0.766 297 G HN 0.343 nan 8.290 nan 0.000 0.552 298 N N 0.244 118.938 118.700 -0.011 0.000 2.192 298 N HA -0.128 4.612 4.740 -0.001 0.000 0.188 298 N C 2.127 177.628 175.510 -0.015 0.000 1.013 298 N CA 1.734 54.776 53.050 -0.013 0.000 0.863 298 N CB -0.076 38.403 38.487 -0.014 0.000 0.990 298 N HN 0.474 nan 8.380 nan 0.000 0.430 299 V N -5.613 114.292 119.914 -0.016 0.000 3.432 299 V HA 0.552 4.672 4.120 -0.001 0.000 0.298 299 V C 1.048 177.130 176.094 -0.020 0.000 1.464 299 V CA 0.301 62.589 62.300 -0.020 0.000 1.046 299 V CB 0.153 31.960 31.823 -0.026 0.000 0.887 299 V HN 0.164 nan 8.190 nan 0.000 0.441 300 G N 0.992 109.783 108.800 -0.014 0.000 2.160 300 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.244 300 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.244 300 G C 0.065 174.958 174.900 -0.011 0.000 1.022 300 G CA 0.154 45.247 45.100 -0.012 0.000 0.741 300 G HN 0.888 nan 8.290 nan 0.000 0.508 301 V N 0.889 120.796 119.914 -0.011 0.000 2.540 301 V HA 0.155 4.274 4.120 -0.001 0.000 0.297 301 V C 1.178 177.272 176.094 0.001 0.000 1.024 301 V CA 0.441 62.736 62.300 -0.009 0.000 1.105 301 V CB 0.898 32.718 31.823 -0.007 0.000 0.938 301 V HN 0.381 nan 8.190 nan 0.000 0.482 302 K N 5.268 125.671 120.400 0.004 0.000 2.185 302 K HA 0.536 4.855 4.320 -0.001 0.000 0.271 302 K C -0.660 175.950 176.600 0.015 0.000 1.013 302 K CA -0.409 55.883 56.287 0.008 0.000 0.943 302 K CB 0.970 33.475 32.500 0.008 0.000 0.998 302 K HN 0.494 nan 8.250 nan 0.000 0.468 303 L N 2.025 123.258 121.223 0.017 0.000 2.334 303 L HA 0.280 4.620 4.340 -0.001 0.000 0.276 303 L C 0.869 177.751 176.870 0.021 0.000 1.014 303 L CA -0.855 53.998 54.840 0.022 0.000 0.815 303 L CB 1.825 43.899 42.059 0.024 0.000 1.268 303 L HN 0.813 nan 8.230 nan 0.000 0.428 304 T N -1.185 113.383 114.554 0.023 0.000 2.748 304 T HA 0.153 4.503 4.350 -0.001 0.000 0.304 304 T C -1.740 172.973 174.700 0.021 0.000 1.041 304 T CA -1.179 60.932 62.100 0.019 0.000 1.033 304 T CB 0.654 69.533 68.868 0.019 0.000 0.995 304 T HN 0.367 nan 8.240 nan 0.000 0.536 305 P HA -0.074 nan 4.420 nan 0.000 0.216 305 P C 1.407 178.722 177.300 0.024 0.000 1.150 305 P CA 1.254 64.365 63.100 0.019 0.000 0.843 305 P CB 0.049 31.758 31.700 0.016 0.000 0.787 306 K N -1.958 118.458 120.400 0.027 0.000 2.288 306 K HA 0.041 4.360 4.320 -0.001 0.000 0.201 306 K C 1.199 177.824 176.600 0.041 0.000 1.048 306 K CA 1.183 57.491 56.287 0.034 0.000 0.956 306 K CB -0.264 32.258 32.500 0.036 0.000 0.746 306 K HN 0.211 nan 8.250 nan 0.000 0.461 307 G N -0.865 107.958 108.800 0.039 0.000 2.205 307 G HA2 -0.158 3.802 3.960 -0.001 0.000 0.180 307 G HA3 -0.158 3.802 3.960 -0.001 0.000 0.180 307 G C 0.258 175.188 174.900 0.050 0.000 1.004 307 G CA -0.316 44.811 45.100 0.044 0.000 0.670 307 G HN 0.537 nan 8.290 nan 0.000 0.496 308 G N -0.279 108.551 108.800 0.049 0.000 2.569 308 G HA2 0.541 4.501 3.960 -0.001 0.000 0.249 308 G HA3 0.541 4.501 3.960 -0.001 0.000 0.249 308 G C 0.373 175.300 174.900 0.046 0.000 1.216 308 G CA 0.185 45.316 45.100 0.053 0.000 0.845 308 G HN 0.888 nan 8.290 nan 0.000 0.568 309 V N 1.559 121.504 119.914 0.051 0.000 2.479 309 V HA 0.041 4.160 4.120 -0.001 0.000 0.281 309 V C 0.856 176.975 176.094 0.041 0.000 1.031 309 V CA 0.033 62.361 62.300 0.046 0.000 1.038 309 V CB 0.871 32.726 31.823 0.054 0.000 0.981 309 V HN 0.823 nan 8.190 nan 0.000 0.478 310 Q N 4.438 124.257 119.800 0.032 0.000 2.289 310 Q HA 0.393 4.733 4.340 -0.001 0.000 0.273 310 Q C -0.601 175.421 176.000 0.037 0.000 1.029 310 Q CA -0.183 55.636 55.803 0.028 0.000 0.896 310 Q CB 1.091 29.841 28.738 0.021 0.000 1.182 310 Q HN 0.772 nan 8.270 nan 0.000 0.385 311 V N 1.019 120.955 119.914 0.037 0.000 2.962 311 V HA 0.516 4.636 4.120 -0.001 0.000 0.313 311 V C -0.630 175.492 176.094 0.047 0.000 1.099 311 V CA -1.113 61.222 62.300 0.058 0.000 0.971 311 V CB 1.826 33.696 31.823 0.078 0.000 1.028 311 V HN 0.934 nan 8.190 nan 0.000 0.430 312 D N 1.183 121.631 120.400 0.079 0.000 2.440 312 D HA 0.214 4.853 4.640 -0.001 0.000 0.269 312 D C 0.785 177.110 176.300 0.041 0.000 1.249 312 D CA -0.118 53.928 54.000 0.076 0.000 1.055 312 D CB 0.535 41.416 40.800 0.135 0.000 1.104 312 D HN 0.689 nan 8.370 nan 0.000 0.561 313 E N -1.331 118.860 120.200 -0.015 0.000 2.265 313 E HA -0.100 4.250 4.350 -0.001 0.000 0.196 313 E C 0.909 177.301 176.600 -0.346 0.000 0.996 313 E CA 0.778 57.063 56.400 -0.191 0.000 0.832 313 E CB -0.351 29.149 29.700 -0.333 0.000 0.756 313 E HN 0.379 nan 8.360 nan 0.000 0.491 314 F N 0.230 120.218 119.950 0.064 0.000 2.664 314 F HA 0.168 4.695 4.527 -0.001 0.000 0.301 314 F C 0.712 176.558 175.800 0.077 0.000 1.126 314 F CA -0.039 57.992 58.000 0.051 0.000 1.373 314 F CB 0.220 39.238 39.000 0.030 0.000 1.042 314 F HN -0.240 nan 8.300 nan 0.000 0.535 315 S N -0.304 115.500 115.700 0.173 0.000 3.382 315 S HA -0.239 4.230 4.470 -0.001 0.000 0.293 315 S C 0.499 175.270 174.600 0.284 0.000 1.262 315 S CA 0.367 58.680 58.200 0.188 0.000 0.969 315 S CB -1.368 61.932 63.200 0.168 0.000 1.136 315 S HN 0.470 nan 8.310 nan 0.000 0.635 316 R N 1.956 122.629 120.500 0.289 0.000 2.357 316 R HA 0.439 4.778 4.340 -0.001 0.000 0.296 316 R C 1.108 177.486 176.300 0.130 0.000 1.052 316 R CA 0.215 56.480 56.100 0.275 0.000 0.988 316 R CB 0.652 31.099 30.300 0.246 0.000 1.025 316 R HN 0.477 nan 8.270 nan 0.000 0.469 317 T N -1.488 113.094 114.554 0.046 0.000 2.729 317 T HA -0.005 4.344 4.350 -0.001 0.000 0.298 317 T C 1.143 175.841 174.700 -0.002 0.000 1.013 317 T CA -0.337 61.771 62.100 0.013 0.000 0.957 317 T CB 0.447 69.302 68.868 -0.021 0.000 1.130 317 T HN 0.774 nan 8.240 nan 0.000 0.526 318 N N -0.908 117.789 118.700 -0.005 0.000 2.512 318 N HA 0.011 4.750 4.740 -0.001 0.000 0.183 318 N C -0.095 175.398 175.510 -0.028 0.000 1.073 318 N CA -0.043 53.003 53.050 -0.007 0.000 0.911 318 N CB -0.142 38.343 38.487 -0.002 0.000 0.964 318 N HN 0.321 nan 8.380 nan 0.000 0.447 319 V N 1.906 121.788 119.914 -0.054 0.000 2.348 319 V HA 0.192 4.311 4.120 -0.001 0.000 0.270 319 V C -1.239 174.780 176.094 -0.126 0.000 1.037 319 V CA -1.571 60.682 62.300 -0.078 0.000 0.872 319 V CB 1.167 32.941 31.823 -0.082 0.000 1.002 319 V HN -0.003 nan 8.190 nan 0.000 0.464 320 P HA -0.227 nan 4.420 nan 0.000 0.222 320 P C 0.902 178.092 177.300 -0.182 0.000 1.157 320 P CA 1.879 64.926 63.100 -0.088 0.000 0.905 320 P CB 0.073 31.743 31.700 -0.050 0.000 0.792 321 N N -1.770 116.766 118.700 -0.273 0.000 2.204 321 N HA 0.082 4.822 4.740 -0.001 0.000 0.219 321 N C -0.018 175.087 175.510 -0.675 0.000 1.151 321 N CA -0.027 52.814 53.050 -0.348 0.000 0.867 321 N CB 0.157 38.514 38.487 -0.217 0.000 1.043 321 N HN 0.192 nan 8.380 nan 0.000 0.516 322 I N 1.354 121.485 120.570 -0.733 0.000 2.378 322 I HA 0.355 4.524 4.170 -0.001 0.000 0.291 322 I C -0.957 174.757 176.117 -0.671 0.000 0.992 322 I CA -0.925 60.041 61.300 -0.557 0.000 1.154 322 I CB 0.893 38.762 38.000 -0.218 0.000 1.315 322 I HN -0.137 nan 8.210 nan 0.000 0.448 323 Y N 4.194 124.543 120.300 0.081 0.000 2.598 323 Y HA 0.835 5.385 4.550 -0.001 0.000 0.340 323 Y C 0.106 176.052 175.900 0.076 0.000 1.038 323 Y CA -1.181 56.967 58.100 0.079 0.000 1.100 323 Y CB 1.785 40.296 38.460 0.085 0.000 1.281 323 Y HN 0.520 nan 8.280 nan 0.000 0.488 324 A N 2.200 125.159 122.820 0.232 0.000 2.422 324 A HA 0.877 5.196 4.320 -0.001 0.000 0.302 324 A C -1.100 176.577 177.584 0.155 0.000 1.041 324 A CA -0.626 51.507 52.037 0.161 0.000 0.708 324 A CB 0.886 19.953 19.000 0.111 0.000 1.257 324 A HN 0.782 nan 8.150 nan 0.000 0.414 325 I N -0.973 119.680 120.570 0.139 0.000 3.174 325 I HA 0.948 5.117 4.170 -0.001 0.000 0.313 325 I C 0.511 176.698 176.117 0.117 0.000 1.155 325 I CA -0.370 61.005 61.300 0.125 0.000 0.977 325 I CB 1.920 39.990 38.000 0.117 0.000 1.248 325 I HN 1.851 nan 8.210 nan 0.000 0.453 326 G N 2.551 111.419 108.800 0.115 0.000 2.598 326 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.244 326 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.244 326 G C -0.056 174.914 174.900 0.116 0.000 1.302 326 G CA 0.594 45.762 45.100 0.113 0.000 0.903 326 G HN 0.834 nan 8.290 nan 0.000 0.575 327 D N -0.225 120.248 120.400 0.123 0.000 2.264 327 D HA 0.002 4.641 4.640 -0.001 0.000 0.208 327 D C 2.289 178.663 176.300 0.122 0.000 0.966 327 D CA 0.858 54.936 54.000 0.129 0.000 0.864 327 D CB -0.038 40.852 40.800 0.151 0.000 0.933 327 D HN 0.452 nan 8.370 nan 0.000 0.499 328 I N 1.016 121.656 120.570 0.118 0.000 2.700 328 I HA -0.205 3.965 4.170 -0.001 0.000 0.261 328 I C 1.557 177.728 176.117 0.090 0.000 1.219 328 I CA 1.153 62.517 61.300 0.106 0.000 1.463 328 I CB 0.023 38.083 38.000 0.101 0.000 1.092 328 I HN 0.020 nan 8.210 nan 0.000 0.452 329 T N -3.296 111.311 114.554 0.088 0.000 3.129 329 T HA 0.006 4.356 4.350 -0.001 0.000 0.251 329 T C 0.836 175.571 174.700 0.057 0.000 1.117 329 T CA 0.307 62.448 62.100 0.068 0.000 1.034 329 T CB -0.257 68.648 68.868 0.063 0.000 0.968 329 T HN 0.373 nan 8.240 nan 0.000 0.526 330 D N 0.896 121.340 120.400 0.074 0.000 2.697 330 D HA -0.167 4.472 4.640 -0.001 0.000 0.238 330 D C 0.469 176.800 176.300 0.052 0.000 1.152 330 D CA 0.749 54.792 54.000 0.071 0.000 0.666 330 D CB -0.928 39.911 40.800 0.066 0.000 1.037 330 D HN 0.713 nan 8.370 nan 0.000 0.423 331 R N -0.335 120.196 120.500 0.052 0.000 2.350 331 R HA 0.488 4.827 4.340 -0.001 0.000 0.116 331 R C -0.085 176.248 176.300 0.055 0.000 1.612 331 R CA -0.574 55.542 56.100 0.028 0.000 1.379 331 R CB 0.127 30.416 30.300 -0.018 0.000 1.174 331 R HN 0.161 nan 8.270 nan 0.000 0.442 332 L N 3.199 124.468 121.223 0.077 0.000 2.257 332 L HA 0.414 4.754 4.340 -0.001 0.000 0.290 332 L C -0.654 176.270 176.870 0.091 0.000 1.044 332 L CA -0.190 54.698 54.840 0.081 0.000 0.810 332 L CB 1.399 43.520 42.059 0.104 0.000 1.193 332 L HN 0.567 nan 8.230 nan 0.000 0.425 333 M N 7.440 127.097 119.600 0.094 0.000 3.028 333 M HA 0.378 4.857 4.480 -0.001 0.000 0.296 333 M C -1.162 175.197 176.300 0.098 0.000 1.314 333 M CA 0.007 55.380 55.300 0.121 0.000 1.383 333 M CB 0.193 32.894 32.600 0.169 0.000 1.128 333 M HN 0.413 nan 8.290 nan 0.000 0.544 334 L N -0.135 121.131 121.223 0.072 0.000 2.422 334 L HA 0.409 4.749 4.340 -0.001 0.000 0.264 334 L C 1.127 178.032 176.870 0.059 0.000 0.984 334 L CA -0.491 54.376 54.840 0.044 0.000 0.819 334 L CB 2.360 44.425 42.059 0.009 0.000 1.330 334 L HN 0.292 nan 8.230 nan 0.000 0.410 335 T N 1.458 116.049 114.554 0.062 0.000 2.684 335 T HA -0.062 4.287 4.350 -0.001 0.000 0.267 335 T C -1.135 173.590 174.700 0.042 0.000 1.036 335 T CA 1.808 63.945 62.100 0.061 0.000 1.148 335 T CB -0.387 68.519 68.868 0.063 0.000 0.863 335 T HN 0.446 nan 8.240 nan 0.000 0.436 336 P HA 0.109 nan 4.420 nan 0.000 0.233 336 P C 1.297 178.601 177.300 0.006 0.000 1.167 336 P CA 0.320 63.429 63.100 0.015 0.000 0.770 336 P CB -0.034 31.671 31.700 0.008 0.000 0.837 337 V N 0.217 120.138 119.914 0.011 0.000 2.407 337 V HA -0.172 3.947 4.120 -0.001 0.000 0.245 337 V C 2.470 178.578 176.094 0.023 0.000 1.041 337 V CA 1.972 64.270 62.300 -0.002 0.000 1.040 337 V CB -1.623 30.211 31.823 0.018 0.000 0.671 337 V HN 0.087 nan 8.190 nan 0.000 0.455 338 A N 0.400 123.252 122.820 0.052 0.000 1.903 338 A HA -0.258 4.062 4.320 -0.001 0.000 0.219 338 A C 2.184 179.800 177.584 0.053 0.000 1.191 338 A CA 2.337 54.415 52.037 0.067 0.000 0.638 338 A CB -0.658 18.390 19.000 0.081 0.000 0.823 338 A HN 0.512 nan 8.150 nan 0.000 0.451 339 I N -0.248 120.345 120.570 0.039 0.000 2.226 339 I HA -0.279 3.891 4.170 -0.001 0.000 0.245 339 I C 2.555 178.687 176.117 0.026 0.000 1.100 339 I CA 1.586 62.904 61.300 0.030 0.000 1.374 339 I CB -0.475 37.534 38.000 0.016 0.000 1.057 339 I HN 0.499 nan 8.210 nan 0.000 0.413 340 N N 0.918 119.622 118.700 0.007 0.000 2.120 340 N HA -0.203 4.536 4.740 -0.001 0.000 0.188 340 N C 1.744 177.253 175.510 -0.002 0.000 1.024 340 N CA 1.409 54.454 53.050 -0.009 0.000 0.852 340 N CB 0.079 38.537 38.487 -0.048 0.000 1.003 340 N HN 0.435 nan 8.380 nan 0.000 0.424 341 E N -0.227 119.978 120.200 0.008 0.000 2.058 341 E HA -0.134 4.215 4.350 -0.001 0.000 0.194 341 E C 1.989 178.617 176.600 0.046 0.000 0.997 341 E CA 1.137 57.555 56.400 0.031 0.000 0.801 341 E CB -0.342 29.399 29.700 0.068 0.000 0.746 341 E HN 0.440 nan 8.360 nan 0.000 0.450 342 G N 1.316 110.150 108.800 0.058 0.000 2.459 342 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.217 342 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.217 342 G C 1.729 176.674 174.900 0.075 0.000 1.183 342 G CA 1.151 46.295 45.100 0.073 0.000 0.776 342 G HN 0.364 nan 8.290 nan 0.000 0.552 343 A N 1.208 124.073 122.820 0.074 0.000 1.892 343 A HA 0.115 4.434 4.320 -0.001 0.000 0.218 343 A C 2.839 180.471 177.584 0.081 0.000 1.188 343 A CA 2.741 54.830 52.037 0.088 0.000 0.631 343 A CB -0.930 18.113 19.000 0.071 0.000 0.822 343 A HN 0.935 nan 8.150 nan 0.000 0.447 344 A N -0.661 122.190 122.820 0.051 0.000 1.902 344 A HA -0.001 4.318 4.320 -0.001 0.000 0.217 344 A C 2.154 179.760 177.584 0.036 0.000 1.181 344 A CA 1.729 53.794 52.037 0.047 0.000 0.623 344 A CB -0.642 18.374 19.000 0.026 0.000 0.818 344 A HN 0.831 nan 8.150 nan 0.000 0.443 345 L N -0.084 121.143 121.223 0.006 0.000 2.012 345 L HA -0.120 4.219 4.340 -0.001 0.000 0.210 345 L C 2.334 179.102 176.870 -0.170 0.000 1.073 345 L CA 2.132 56.917 54.840 -0.091 0.000 0.748 345 L CB -0.601 41.390 42.059 -0.113 0.000 0.891 345 L HN 0.132 nan 8.230 nan 0.000 0.431 346 V N -0.035 119.855 119.914 -0.039 0.000 2.358 346 V HA -0.243 3.876 4.120 -0.001 0.000 0.246 346 V C 2.292 178.389 176.094 0.005 0.000 1.047 346 V CA 1.840 64.180 62.300 0.066 0.000 1.035 346 V CB -0.794 31.189 31.823 0.266 0.000 0.658 346 V HN 0.462 nan 8.190 nan 0.000 0.452 347 D N -0.014 120.430 120.400 0.074 0.000 2.123 347 D HA -0.148 4.491 4.640 -0.001 0.000 0.196 347 D C 2.284 178.505 176.300 -0.133 0.000 0.992 347 D CA 1.960 55.976 54.000 0.026 0.000 0.833 347 D CB -0.433 40.433 40.800 0.110 0.000 0.954 347 D HN 0.399 nan 8.370 nan 0.000 0.455 348 T N 0.209 114.692 114.554 -0.118 0.000 2.701 348 T HA -0.075 4.275 4.350 -0.001 0.000 0.263 348 T C 2.227 176.739 174.700 -0.313 0.000 1.040 348 T CA 0.879 62.881 62.100 -0.162 0.000 1.147 348 T CB -0.308 68.506 68.868 -0.089 0.000 0.865 348 T HN -0.026 nan 8.240 nan 0.000 0.426 349 V N 0.016 119.636 119.914 -0.491 0.000 2.407 349 V HA 0.041 4.160 4.120 -0.001 0.000 0.245 349 V C 1.772 177.333 176.094 -0.887 0.000 1.041 349 V CA 1.429 63.249 62.300 -0.800 0.000 1.040 349 V CB -0.440 30.630 31.823 -1.254 0.000 0.671 349 V HN 0.386 nan 8.190 nan 0.000 0.455 350 F N 0.063 119.759 119.950 -0.423 0.000 2.727 350 F HA 0.409 4.935 4.527 -0.001 0.000 0.302 350 F C 1.969 177.257 175.800 -0.852 0.000 1.107 350 F CA 0.449 58.139 58.000 -0.516 0.000 1.277 350 F CB -0.176 38.575 39.000 -0.417 0.000 1.079 350 F HN 0.143 nan 8.300 nan 0.000 0.594 351 G N 0.031 108.352 108.800 -0.799 0.000 3.453 351 G HA2 0.012 3.971 3.960 -0.001 0.000 0.263 351 G HA3 0.012 3.971 3.960 -0.001 0.000 0.263 351 G C -0.132 174.604 174.900 -0.273 0.000 1.060 351 G CA -0.319 44.266 45.100 -0.858 0.000 0.793 351 G HN 0.239 nan 8.290 nan 0.000 0.532 352 N N 0.958 119.525 118.700 -0.222 0.000 2.725 352 N HA -0.233 4.506 4.740 -0.001 0.000 0.280 352 N C -0.426 175.039 175.510 -0.075 0.000 1.017 352 N CA 1.105 54.079 53.050 -0.128 0.000 0.813 352 N CB -1.395 37.041 38.487 -0.085 0.000 0.931 352 N HN 0.478 nan 8.380 nan 0.000 0.570 353 K N -0.655 119.702 120.400 -0.070 0.000 3.088 353 K HA 0.244 4.564 4.320 -0.001 0.000 0.193 353 K C -2.787 173.815 176.600 0.003 0.000 1.176 353 K CA -1.151 55.130 56.287 -0.010 0.000 0.907 353 K CB 1.564 34.085 32.500 0.035 0.000 1.139 353 K HN 0.149 nan 8.250 nan 0.000 0.597 354 P HA 0.092 nan 4.420 nan 0.000 0.269 354 P C -0.890 176.508 177.300 0.163 0.000 1.209 354 P CA -0.157 62.964 63.100 0.035 0.000 0.776 354 P CB 0.625 32.295 31.700 -0.050 0.000 0.876 355 R N 1.116 121.788 120.500 0.286 0.000 2.579 355 R HA 0.332 4.671 4.340 -0.001 0.000 0.260 355 R C -1.269 175.125 176.300 0.156 0.000 1.103 355 R CA -0.817 55.405 56.100 0.204 0.000 0.942 355 R CB 1.316 31.675 30.300 0.097 0.000 1.251 355 R HN 0.449 nan 8.270 nan 0.000 0.450 356 K N 1.781 122.150 120.400 -0.052 0.000 2.259 356 K HA 0.439 4.759 4.320 -0.001 0.000 0.249 356 K C -0.872 175.638 176.600 -0.150 0.000 0.942 356 K CA -0.882 55.237 56.287 -0.279 0.000 0.816 356 K CB 2.059 34.151 32.500 -0.679 0.000 1.155 356 K HN 0.334 nan 8.250 nan 0.000 0.428 357 T N 2.062 116.528 114.554 -0.146 0.000 2.902 357 T HA -0.057 4.293 4.350 -0.001 0.000 0.301 357 T C -0.345 174.197 174.700 -0.263 0.000 1.012 357 T CA 0.295 62.266 62.100 -0.214 0.000 1.151 357 T CB 0.278 68.967 68.868 -0.299 0.000 0.946 357 T HN 0.523 nan 8.240 nan 0.000 0.542 358 D N 1.321 121.585 120.400 -0.227 0.000 2.317 358 D HA 0.030 4.669 4.640 -0.001 0.000 0.252 358 D C 0.860 176.992 176.300 -0.279 0.000 1.174 358 D CA -0.202 53.701 54.000 -0.161 0.000 0.866 358 D CB 0.463 41.213 40.800 -0.083 0.000 1.127 358 D HN 0.565 nan 8.370 nan 0.000 0.467 359 H N 2.044 121.097 119.070 -0.028 0.000 2.539 359 H HA 0.088 4.644 4.556 -0.001 0.000 0.269 359 H C 0.481 175.801 175.328 -0.014 0.000 0.980 359 H CA 0.243 56.279 56.048 -0.020 0.000 1.152 359 H CB 0.394 30.143 29.762 -0.021 0.000 1.407 359 H HN 0.384 nan 8.280 nan 0.000 0.564 360 T N -1.980 112.605 114.554 0.052 0.000 2.925 360 T HA 0.385 4.734 4.350 -0.001 0.000 0.285 360 T C 0.544 175.253 174.700 0.015 0.000 1.021 360 T CA -0.860 61.266 62.100 0.044 0.000 1.042 360 T CB 2.217 71.115 68.868 0.049 0.000 1.037 360 T HN 0.283 nan 8.240 nan 0.000 0.481 361 R N -0.516 119.992 120.500 0.013 0.000 3.651 361 R HA -0.096 4.243 4.340 -0.001 0.000 0.292 361 R C -0.546 175.747 176.300 -0.012 0.000 1.161 361 R CA 0.356 56.456 56.100 0.001 0.000 0.787 361 R CB -2.457 27.848 30.300 0.008 0.000 1.249 361 R HN 0.569 nan 8.270 nan 0.000 0.476 362 V N 1.119 121.023 119.914 -0.015 0.000 2.461 362 V HA 0.494 4.613 4.120 -0.001 0.000 0.275 362 V C 1.013 177.091 176.094 -0.025 0.000 1.047 362 V CA 0.100 62.386 62.300 -0.024 0.000 0.955 362 V CB 1.460 33.270 31.823 -0.023 0.000 0.988 362 V HN 0.364 nan 8.190 nan 0.000 0.471 363 A N 4.910 127.716 122.820 -0.022 0.000 2.340 363 A HA 0.821 5.141 4.320 -0.001 0.000 0.268 363 A C 0.310 177.882 177.584 -0.021 0.000 1.100 363 A CA 0.141 52.164 52.037 -0.022 0.000 0.803 363 A CB 0.739 19.730 19.000 -0.015 0.000 1.043 363 A HN 1.201 nan 8.150 nan 0.000 0.488 364 S N -0.088 115.599 115.700 -0.021 0.000 2.615 364 S HA 0.860 5.329 4.470 -0.001 0.000 0.269 364 S C -0.667 173.910 174.600 -0.040 0.000 1.161 364 S CA -0.118 58.066 58.200 -0.027 0.000 0.817 364 S CB 1.249 64.427 63.200 -0.036 0.000 1.131 364 S HN 2.295 nan 8.310 nan 0.000 0.467 365 A N 0.369 123.127 122.820 -0.104 0.000 2.469 365 A HA 0.870 5.190 4.320 -0.001 0.000 0.299 365 A C -1.316 176.085 177.584 -0.305 0.000 1.098 365 A CA -0.846 51.031 52.037 -0.268 0.000 0.737 365 A CB 1.775 20.474 19.000 -0.501 0.000 1.312 365 A HN 1.368 nan 8.150 nan 0.000 0.414 366 V N 0.836 120.505 119.914 -0.408 0.000 2.483 366 V HA 0.363 4.483 4.120 -0.001 0.000 0.297 366 V C -1.005 174.851 176.094 -0.397 0.000 1.027 366 V CA -0.103 62.011 62.300 -0.310 0.000 0.855 366 V CB 1.231 32.844 31.823 -0.351 0.000 0.995 366 V HN 0.761 nan 8.190 nan 0.000 0.424 367 F N 2.841 122.772 119.950 -0.032 0.000 2.954 367 F HA 0.210 4.736 4.527 -0.001 0.000 0.300 367 F C 1.550 177.313 175.800 -0.062 0.000 1.206 367 F CA -0.296 57.676 58.000 -0.046 0.000 1.345 367 F CB -0.090 38.886 39.000 -0.040 0.000 1.206 367 F HN 0.570 nan 8.300 nan 0.000 0.537 368 S N 0.025 115.722 115.700 -0.004 0.000 2.587 368 S HA 0.426 4.896 4.470 -0.001 0.000 0.260 368 S C -0.129 174.460 174.600 -0.018 0.000 1.353 368 S CA -0.593 57.590 58.200 -0.028 0.000 0.995 368 S CB 1.103 64.248 63.200 -0.091 0.000 0.912 368 S HN 0.280 nan 8.310 nan 0.000 0.568 369 I N 2.041 122.600 120.570 -0.019 0.000 2.354 369 I HA 0.353 4.523 4.170 -0.001 0.000 0.286 369 I C -2.446 173.660 176.117 -0.017 0.000 1.007 369 I CA -2.318 58.971 61.300 -0.019 0.000 1.167 369 I CB 1.381 39.368 38.000 -0.021 0.000 1.320 369 I HN 0.449 nan 8.210 nan 0.000 0.458 370 P HA 0.305 nan 4.420 nan 0.000 0.274 370 P C -2.572 174.676 177.300 -0.087 0.000 1.246 370 P CA -1.344 61.725 63.100 -0.052 0.000 0.795 370 P CB 0.062 31.726 31.700 -0.060 0.000 1.006 371 P HA 0.335 nan 4.420 nan 0.000 0.281 371 P C -0.661 176.498 177.300 -0.234 0.000 1.264 371 P CA -0.196 62.790 63.100 -0.189 0.000 0.824 371 P CB 0.972 32.535 31.700 -0.227 0.000 1.092 372 I N -0.016 120.381 120.570 -0.287 0.000 2.460 372 I HA 0.564 4.733 4.170 -0.001 0.000 0.298 372 I C 0.778 176.763 176.117 -0.221 0.000 0.989 372 I CA -0.443 60.714 61.300 -0.238 0.000 1.173 372 I CB 1.886 39.729 38.000 -0.260 0.000 1.338 372 I HN 0.344 nan 8.210 nan 0.000 0.456 373 G N 2.307 111.027 108.800 -0.134 0.000 2.566 373 G HA2 0.630 4.590 3.960 -0.001 0.000 0.311 373 G HA3 0.630 4.590 3.960 -0.001 0.000 0.311 373 G C -1.181 173.707 174.900 -0.021 0.000 1.322 373 G CA -0.373 44.674 45.100 -0.088 0.000 0.969 373 G HN 0.501 nan 8.290 nan 0.000 0.490 374 T N -0.824 113.732 114.554 0.004 0.000 2.932 374 T HA 0.536 4.885 4.350 -0.001 0.000 0.318 374 T C -1.584 173.081 174.700 -0.057 0.000 1.265 374 T CA -0.486 61.617 62.100 0.005 0.000 1.036 374 T CB 1.500 70.494 68.868 0.211 0.000 1.209 374 T HN 1.130 nan 8.240 nan 0.000 0.484 375 C N 3.589 122.792 119.300 -0.161 0.000 2.716 375 C HA 0.869 5.329 4.460 -0.001 0.000 0.366 375 C C 0.673 175.577 174.990 -0.145 0.000 1.073 375 C CA 1.153 60.105 59.018 -0.111 0.000 1.260 375 C CB -0.128 27.564 27.740 -0.081 0.000 1.755 375 C HN 1.761 nan 8.230 nan 0.000 0.475 376 G N 4.656 113.424 108.800 -0.054 0.000 2.548 376 G HA2 -0.057 3.902 3.960 -0.001 0.000 0.208 376 G HA3 -0.057 3.902 3.960 -0.001 0.000 0.208 376 G C -1.025 173.913 174.900 0.064 0.000 1.308 376 G CA -0.352 44.740 45.100 -0.014 0.000 0.924 376 G HN 1.076 nan 8.290 nan 0.000 0.540 377 L N 1.176 122.454 121.223 0.092 0.000 2.371 377 L HA 0.528 4.867 4.340 -0.001 0.000 0.272 377 L C 1.515 178.516 176.870 0.218 0.000 1.124 377 L CA -0.684 54.229 54.840 0.121 0.000 0.816 377 L CB 0.872 42.992 42.059 0.100 0.000 1.129 377 L HN 0.703 nan 8.230 nan 0.000 0.448 378 I N -0.860 119.742 120.570 0.052 0.000 2.823 378 I HA 0.096 4.265 4.170 -0.001 0.000 0.290 378 I C 1.357 177.430 176.117 -0.073 0.000 1.091 378 I CA -0.532 60.686 61.300 -0.135 0.000 1.365 378 I CB 0.730 38.597 38.000 -0.221 0.000 1.427 378 I HN 0.823 nan 8.210 nan 0.000 0.583 379 E N 3.295 123.432 120.200 -0.105 0.000 2.077 379 E HA -0.259 4.091 4.350 -0.001 0.000 0.193 379 E C 1.366 177.758 176.600 -0.347 0.000 0.989 379 E CA 1.495 57.807 56.400 -0.147 0.000 0.800 379 E CB -0.418 29.265 29.700 -0.029 0.000 0.746 379 E HN 0.851 nan 8.360 nan 0.000 0.452 380 E N 1.725 121.752 120.200 -0.290 0.000 2.153 380 E HA -0.138 4.211 4.350 -0.001 0.000 0.194 380 E C 2.283 178.778 176.600 -0.175 0.000 0.988 380 E CA 1.194 57.417 56.400 -0.294 0.000 0.811 380 E CB -0.475 29.140 29.700 -0.141 0.000 0.746 380 E HN 0.285 nan 8.360 nan 0.000 0.466 381 V N 2.136 121.987 119.914 -0.105 0.000 2.283 381 V HA -0.159 3.960 4.120 -0.001 0.000 0.243 381 V C 2.750 178.847 176.094 0.004 0.000 1.039 381 V CA 1.737 64.012 62.300 -0.041 0.000 1.016 381 V CB -0.902 30.910 31.823 -0.018 0.000 0.650 381 V HN 0.416 nan 8.190 nan 0.000 0.449 382 A N 0.323 123.162 122.820 0.033 0.000 1.903 382 A HA -0.256 4.064 4.320 -0.001 0.000 0.219 382 A C 2.376 180.064 177.584 0.172 0.000 1.191 382 A CA 2.508 54.647 52.037 0.170 0.000 0.638 382 A CB -0.943 18.110 19.000 0.088 0.000 0.823 382 A HN 0.630 nan 8.150 nan 0.000 0.451 383 A N -0.849 121.943 122.820 -0.045 0.000 2.070 383 A HA -0.130 4.189 4.320 -0.001 0.000 0.220 383 A C 2.049 179.643 177.584 0.017 0.000 1.159 383 A CA 1.797 53.803 52.037 -0.051 0.000 0.656 383 A CB -0.360 18.423 19.000 -0.361 0.000 0.800 383 A HN 0.589 nan 8.150 nan 0.000 0.453 384 K N -0.960 119.435 120.400 -0.008 0.000 2.228 384 K HA -0.035 4.285 4.320 -0.001 0.000 0.202 384 K C 1.537 178.117 176.600 -0.033 0.000 1.051 384 K CA 1.340 57.620 56.287 -0.011 0.000 0.960 384 K CB 0.042 32.528 32.500 -0.024 0.000 0.743 384 K HN 0.504 nan 8.250 nan 0.000 0.458 385 E N -1.159 119.015 120.200 -0.043 0.000 2.460 385 E HA 0.140 4.489 4.350 -0.001 0.000 0.200 385 E C -0.736 175.540 176.600 -0.540 0.000 1.011 385 E CA 0.067 56.305 56.400 -0.270 0.000 0.912 385 E CB 0.510 30.004 29.700 -0.344 0.000 0.953 385 E HN -0.009 nan 8.360 nan 0.000 0.494 386 F N -0.767 119.200 119.950 0.029 0.000 2.565 386 F HA 0.259 4.785 4.527 -0.001 0.000 0.313 386 F C 1.082 176.920 175.800 0.064 0.000 1.091 386 F CA -0.920 57.109 58.000 0.048 0.000 0.915 386 F CB 1.852 40.889 39.000 0.060 0.000 1.208 386 F HN -0.259 nan 8.300 nan 0.000 0.453 387 E N 1.205 121.549 120.200 0.239 0.000 2.106 387 E HA -0.041 4.308 4.350 -0.001 0.000 0.192 387 E C -0.378 176.340 176.600 0.197 0.000 0.984 387 E CA 1.453 57.953 56.400 0.167 0.000 0.806 387 E CB 0.256 30.031 29.700 0.125 0.000 0.750 387 E HN 0.415 nan 8.360 nan 0.000 0.458 388 K N -0.185 120.359 120.400 0.239 0.000 2.545 388 K HA 0.420 4.739 4.320 -0.001 0.000 0.252 388 K C -1.668 175.098 176.600 0.277 0.000 0.948 388 K CA -0.581 55.855 56.287 0.247 0.000 0.827 388 K CB 2.789 35.429 32.500 0.233 0.000 1.128 388 K HN -0.178 nan 8.250 nan 0.000 0.429 389 V N 1.930 122.017 119.914 0.289 0.000 2.628 389 V HA 0.725 4.844 4.120 -0.001 0.000 0.306 389 V C -0.576 175.630 176.094 0.187 0.000 1.045 389 V CA -0.811 61.627 62.300 0.229 0.000 0.905 389 V CB 1.761 33.716 31.823 0.220 0.000 0.997 389 V HN 0.893 nan 8.190 nan 0.000 0.436 390 A N 3.993 126.832 122.820 0.032 0.000 2.355 390 A HA 0.912 5.232 4.320 -0.001 0.000 0.324 390 A C -1.049 176.298 177.584 -0.396 0.000 1.117 390 A CA -0.579 51.246 52.037 -0.353 0.000 0.785 390 A CB 1.783 20.533 19.000 -0.416 0.000 1.254 390 A HN 0.681 nan 8.150 nan 0.000 0.453 391 V N 2.084 121.538 119.914 -0.767 0.000 2.487 391 V HA 0.363 4.482 4.120 -0.001 0.000 0.298 391 V C -1.472 174.139 176.094 -0.805 0.000 1.028 391 V CA -0.347 61.555 62.300 -0.662 0.000 0.860 391 V CB 1.031 32.361 31.823 -0.822 0.000 0.991 391 V HN 0.768 nan 8.190 nan 0.000 0.427 392 Y N 4.790 124.902 120.300 -0.314 0.000 2.342 392 Y HA 0.701 5.251 4.550 -0.001 0.000 0.338 392 Y C 0.158 175.977 175.900 -0.134 0.000 0.965 392 Y CA -0.406 57.565 58.100 -0.215 0.000 1.159 392 Y CB 1.769 40.141 38.460 -0.147 0.000 1.157 392 Y HN 0.589 nan 8.280 nan 0.000 0.486 393 M N 3.254 122.867 119.600 0.021 0.000 2.395 393 M HA 0.595 5.075 4.480 -0.001 0.000 0.307 393 M C -1.182 175.200 176.300 0.136 0.000 1.091 393 M CA -0.385 54.965 55.300 0.083 0.000 0.919 393 M CB 1.612 34.262 32.600 0.083 0.000 1.662 393 M HN 0.557 nan 8.290 nan 0.000 0.440 394 S N 2.699 118.518 115.700 0.198 0.000 2.571 394 S HA 0.724 5.193 4.470 -0.001 0.000 0.284 394 S C -1.620 173.213 174.600 0.389 0.000 1.128 394 S CA -0.468 57.895 58.200 0.271 0.000 0.970 394 S CB 1.761 65.117 63.200 0.260 0.000 1.039 394 S HN 0.753 nan 8.310 nan 0.000 0.485 395 S N 4.052 119.998 115.700 0.410 0.000 2.619 395 S HA 0.879 5.348 4.470 -0.001 0.000 0.280 395 S C -1.561 173.290 174.600 0.419 0.000 1.150 395 S CA -0.625 57.764 58.200 0.316 0.000 0.978 395 S CB 0.390 63.687 63.200 0.162 0.000 1.041 395 S HN 0.954 nan 8.310 nan 0.000 0.485 396 F N -0.171 119.867 119.950 0.147 0.000 2.708 396 F HA 0.493 5.019 4.527 -0.001 0.000 0.309 396 F C -0.527 175.355 175.800 0.137 0.000 1.120 396 F CA -1.013 57.057 58.000 0.117 0.000 0.978 396 F CB 0.331 39.391 39.000 0.099 0.000 1.283 396 F HN 0.262 nan 8.300 nan 0.000 0.439 397 T N 4.588 119.148 114.554 0.009 0.000 2.817 397 T HA 0.291 4.640 4.350 -0.001 0.000 0.295 397 T C -2.358 172.409 174.700 0.111 0.000 0.958 397 T CA -0.507 61.591 62.100 -0.004 0.000 1.157 397 T CB 0.104 69.009 68.868 0.062 0.000 0.898 397 T HN 0.405 nan 8.240 nan 0.000 0.536 398 P HA 0.073 nan 4.420 nan 0.000 0.269 398 P C 1.010 178.408 177.300 0.164 0.000 1.215 398 P CA -0.596 62.629 63.100 0.208 0.000 0.780 398 P CB 0.703 32.455 31.700 0.086 0.000 0.898 399 L N 3.738 125.054 121.223 0.156 0.000 2.079 399 L HA -0.190 4.150 4.340 -0.001 0.000 0.210 399 L C 2.485 179.399 176.870 0.073 0.000 1.081 399 L CA 2.092 56.993 54.840 0.101 0.000 0.752 399 L CB -1.291 40.815 42.059 0.079 0.000 0.896 399 L HN 0.450 nan 8.230 nan 0.000 0.433 400 M N -2.108 117.520 119.600 0.046 0.000 2.202 400 M HA -0.210 4.269 4.480 -0.001 0.000 0.262 400 M C 1.564 177.905 176.300 0.068 0.000 1.063 400 M CA 1.943 57.299 55.300 0.093 0.000 1.097 400 M CB -0.753 31.834 32.600 -0.023 0.000 1.382 400 M HN 0.202 nan 8.290 nan 0.000 0.413 401 H N 0.389 119.526 119.070 0.110 0.000 2.539 401 H HA 0.228 4.783 4.556 -0.001 0.000 0.269 401 H C 1.059 176.391 175.328 0.006 0.000 0.980 401 H CA 0.379 56.453 56.048 0.044 0.000 1.152 401 H CB -0.208 29.530 29.762 -0.040 0.000 1.407 401 H HN 0.578 nan 8.280 nan 0.000 0.564 402 N N 0.343 119.114 118.700 0.119 0.000 2.416 402 N HA 0.002 4.742 4.740 -0.001 0.000 0.177 402 N C 1.755 177.265 175.510 0.000 0.000 1.036 402 N CA 0.371 53.455 53.050 0.058 0.000 0.901 402 N CB 0.625 39.144 38.487 0.053 0.000 0.976 402 N HN 0.394 nan 8.380 nan 0.000 0.444 403 I N 0.379 120.920 120.570 -0.049 0.000 2.867 403 I HA -0.103 4.067 4.170 -0.001 0.000 0.265 403 I C 2.202 178.191 176.117 -0.212 0.000 1.162 403 I CA 0.453 61.609 61.300 -0.240 0.000 1.471 403 I CB -0.139 37.539 38.000 -0.538 0.000 1.123 403 I HN 0.054 nan 8.210 nan 0.000 0.440 404 S N 0.607 116.334 115.700 0.045 0.000 2.423 404 S HA -0.010 4.459 4.470 -0.001 0.000 0.231 404 S C 1.808 176.506 174.600 0.164 0.000 1.014 404 S CA 1.137 59.495 58.200 0.264 0.000 0.965 404 S CB 0.044 63.554 63.200 0.518 0.000 0.785 404 S HN 0.594 nan 8.310 nan 0.000 0.495 405 G N 0.198 109.061 108.800 0.106 0.000 2.259 405 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.217 405 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.217 405 G C 0.361 175.302 174.900 0.069 0.000 1.001 405 G CA 0.028 45.178 45.100 0.082 0.000 0.627 405 G HN 0.725 nan 8.290 nan 0.000 0.501 406 S N 1.390 117.083 115.700 -0.013 0.000 4.120 406 S HA 0.337 4.807 4.470 -0.001 0.000 0.196 406 S C 1.270 175.595 174.600 -0.457 0.000 1.447 406 S CA 0.102 58.089 58.200 -0.354 0.000 0.939 406 S CB 0.864 63.655 63.200 -0.682 0.000 1.496 406 S HN 0.499 nan 8.310 nan 0.000 0.460 407 K N 0.684 121.007 120.400 -0.128 0.000 2.288 407 K HA -0.101 4.218 4.320 -0.001 0.000 0.201 407 K C 1.421 177.970 176.600 -0.085 0.000 1.048 407 K CA 0.980 57.236 56.287 -0.050 0.000 0.956 407 K CB -0.157 32.371 32.500 0.046 0.000 0.746 407 K HN 0.803 nan 8.250 nan 0.000 0.461 408 Y N 0.025 120.306 120.300 -0.032 0.000 2.571 408 Y HA 0.051 4.600 4.550 -0.001 0.000 0.294 408 Y C 0.201 176.056 175.900 -0.075 0.000 1.141 408 Y CA 0.135 58.209 58.100 -0.044 0.000 1.308 408 Y CB -0.407 38.026 38.460 -0.046 0.000 1.002 408 Y HN -0.275 nan 8.280 nan 0.000 0.551 409 K N 2.773 122.773 120.400 -0.667 0.000 2.243 409 K HA 0.072 4.392 4.320 -0.001 0.000 0.232 409 K C -0.258 176.226 176.600 -0.194 0.000 1.237 409 K CA 0.080 56.082 56.287 -0.475 0.000 1.161 409 K CB -0.003 32.001 32.500 -0.827 0.000 1.505 409 K HN 0.206 nan 8.250 nan 0.000 0.271 410 K N 1.950 122.279 120.400 -0.118 0.000 2.297 410 K HA 0.107 4.426 4.320 -0.001 0.000 0.286 410 K C -0.404 176.108 176.600 -0.147 0.000 1.053 410 K CA -0.332 55.888 56.287 -0.112 0.000 0.940 410 K CB 0.502 32.966 32.500 -0.060 0.000 1.019 410 K HN 0.209 nan 8.250 nan 0.000 0.475 411 F N 3.647 123.352 119.950 -0.409 0.000 2.396 411 F HA 0.187 4.714 4.527 -0.001 0.000 0.343 411 F C -0.361 175.268 175.800 -0.284 0.000 1.104 411 F CA -0.397 57.370 58.000 -0.388 0.000 1.161 411 F CB 0.830 39.480 39.000 -0.584 0.000 1.146 411 F HN 0.076 nan 8.300 nan 0.000 0.522 412 V N 5.287 124.899 119.914 -0.503 0.000 2.487 412 V HA 0.753 4.872 4.120 -0.001 0.000 0.298 412 V C -0.581 175.424 176.094 -0.148 0.000 1.028 412 V CA -0.777 61.428 62.300 -0.157 0.000 0.860 412 V CB 1.318 33.060 31.823 -0.135 0.000 0.991 412 V HN 0.944 nan 8.190 nan 0.000 0.427 413 A N 5.004 127.934 122.820 0.183 0.000 2.335 413 A HA 0.822 5.141 4.320 -0.001 0.000 0.304 413 A C -0.589 177.085 177.584 0.151 0.000 1.118 413 A CA -0.728 51.432 52.037 0.206 0.000 0.757 413 A CB 1.036 20.283 19.000 0.412 0.000 1.188 413 A HN 0.777 nan 8.150 nan 0.000 0.460 414 K N 2.152 122.618 120.400 0.109 0.000 2.345 414 K HA 0.690 5.009 4.320 -0.001 0.000 0.255 414 K C -1.296 175.339 176.600 0.058 0.000 0.934 414 K CA -0.279 56.072 56.287 0.107 0.000 0.801 414 K CB 2.358 34.944 32.500 0.145 0.000 1.137 414 K HN 0.659 nan 8.250 nan 0.000 0.424 415 I N 2.509 123.098 120.570 0.032 0.000 2.433 415 I HA 0.335 4.504 4.170 -0.001 0.000 0.292 415 I C -0.655 175.501 176.117 0.066 0.000 1.001 415 I CA -1.242 60.026 61.300 -0.054 0.000 1.119 415 I CB 1.985 39.854 38.000 -0.219 0.000 1.289 415 I HN 0.181 nan 8.210 nan 0.000 0.438 416 V N 4.401 124.333 119.914 0.030 0.000 2.459 416 V HA 0.604 4.724 4.120 -0.001 0.000 0.295 416 V C 0.082 176.182 176.094 0.011 0.000 1.029 416 V CA -0.352 61.976 62.300 0.047 0.000 0.874 416 V CB 1.972 33.846 31.823 0.084 0.000 0.985 416 V HN 0.907 nan 8.190 nan 0.000 0.438 417 T N 0.400 114.975 114.554 0.035 0.000 2.906 417 T HA 0.437 4.786 4.350 -0.001 0.000 0.295 417 T C -0.479 174.181 174.700 -0.067 0.000 1.075 417 T CA -0.859 61.243 62.100 0.004 0.000 1.005 417 T CB 1.763 70.719 68.868 0.148 0.000 1.136 417 T HN 0.416 nan 8.240 nan 0.000 0.498 418 N N 0.523 119.103 118.700 -0.199 0.000 2.402 418 N HA 0.091 4.831 4.740 -0.001 0.000 0.259 418 N C 0.633 176.159 175.510 0.026 0.000 1.167 418 N CA -0.001 52.918 53.050 -0.218 0.000 0.949 418 N CB 0.288 38.520 38.487 -0.425 0.000 1.212 418 N HN 0.852 nan 8.380 nan 0.000 0.493 419 H N 2.000 121.093 119.070 0.039 0.000 2.521 419 H HA 0.076 4.632 4.556 -0.001 0.000 0.286 419 H C 1.316 176.694 175.328 0.083 0.000 1.034 419 H CA 1.431 57.540 56.048 0.102 0.000 1.278 419 H CB 0.472 30.345 29.762 0.185 0.000 1.386 419 H HN 0.473 nan 8.280 nan 0.000 0.567 420 S N -0.312 115.417 115.700 0.049 0.000 2.419 420 S HA -0.113 4.356 4.470 -0.001 0.000 0.233 420 S C 1.050 175.624 174.600 -0.044 0.000 1.016 420 S CA 1.447 59.648 58.200 0.003 0.000 0.974 420 S CB 0.019 63.266 63.200 0.079 0.000 0.786 420 S HN 0.856 nan 8.310 nan 0.000 0.492 421 D N -2.268 118.109 120.400 -0.039 0.000 2.530 421 D HA 0.209 4.849 4.640 -0.001 0.000 0.253 421 D C 0.969 177.252 176.300 -0.029 0.000 1.338 421 D CA 0.666 54.648 54.000 -0.031 0.000 0.806 421 D CB -0.475 40.326 40.800 0.002 0.000 1.160 421 D HN 0.271 nan 8.370 nan 0.000 0.514 422 G N 0.539 109.321 108.800 -0.029 0.000 2.189 422 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.267 422 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.267 422 G C 0.540 175.444 174.900 0.007 0.000 0.975 422 G CA 0.628 45.735 45.100 0.012 0.000 0.644 422 G HN 0.474 nan 8.290 nan 0.000 0.537 423 T N 1.214 115.757 114.554 -0.020 0.000 2.866 423 T HA 0.310 4.660 4.350 -0.001 0.000 0.293 423 T C 0.902 175.572 174.700 -0.050 0.000 1.005 423 T CA 0.304 62.388 62.100 -0.027 0.000 1.162 423 T CB 1.576 70.414 68.868 -0.050 0.000 0.968 423 T HN 0.502 nan 8.240 nan 0.000 0.530 424 V N 6.281 126.187 119.914 -0.014 0.000 2.470 424 V HA 0.079 4.198 4.120 -0.001 0.000 0.276 424 V C 1.323 177.380 176.094 -0.062 0.000 1.040 424 V CA 0.182 62.454 62.300 -0.047 0.000 1.008 424 V CB 0.467 32.276 31.823 -0.024 0.000 0.990 424 V HN 0.812 nan 8.190 nan 0.000 0.477 425 L N 4.128 125.297 121.223 -0.091 0.000 2.357 425 L HA 0.462 4.802 4.340 -0.001 0.000 0.211 425 L C 1.067 177.914 176.870 -0.037 0.000 1.075 425 L CA 0.754 55.549 54.840 -0.076 0.000 0.830 425 L CB 0.094 42.078 42.059 -0.126 0.000 0.996 425 L HN 0.780 nan 8.230 nan 0.000 0.467 426 G N -0.558 108.202 108.800 -0.068 0.000 2.732 426 G HA2 0.540 4.500 3.960 -0.001 0.000 0.296 426 G HA3 0.540 4.500 3.960 -0.001 0.000 0.296 426 G C -1.927 172.781 174.900 -0.320 0.000 1.448 426 G CA -0.294 44.717 45.100 -0.149 0.000 0.911 426 G HN -0.278 nan 8.290 nan 0.000 0.528 427 V N 2.481 122.036 119.914 -0.599 0.000 2.686 427 V HA 0.637 4.757 4.120 -0.001 0.000 0.306 427 V C -1.153 174.508 176.094 -0.721 0.000 1.065 427 V CA -0.899 61.101 62.300 -0.500 0.000 0.894 427 V CB 2.038 33.684 31.823 -0.295 0.000 1.004 427 V HN 0.832 nan 8.190 nan 0.000 0.424 428 H N 5.362 124.417 119.070 -0.024 0.000 2.934 428 H HA 0.647 5.202 4.556 -0.001 0.000 0.340 428 H C -1.262 174.039 175.328 -0.045 0.000 1.008 428 H CA -0.415 55.625 56.048 -0.014 0.000 1.317 428 H CB 2.182 31.948 29.762 0.005 0.000 1.670 428 H HN 0.428 nan 8.280 nan 0.000 0.516 429 L N 3.276 124.494 121.223 -0.009 0.000 2.388 429 L HA 0.494 4.834 4.340 -0.001 0.000 0.264 429 L C -0.977 175.728 176.870 -0.275 0.000 0.998 429 L CA -1.101 53.639 54.840 -0.167 0.000 0.817 429 L CB 2.848 44.851 42.059 -0.092 0.000 1.338 429 L HN 0.254 nan 8.230 nan 0.000 0.414 430 L N 1.815 122.702 121.223 -0.559 0.000 2.476 430 L HA 0.970 5.309 4.340 -0.001 0.000 0.269 430 L C -0.463 175.921 176.870 -0.811 0.000 0.965 430 L CA 0.290 54.830 54.840 -0.500 0.000 0.845 430 L CB 1.779 43.639 42.059 -0.332 0.000 1.259 430 L HN 0.728 nan 8.230 nan 0.000 0.403 431 G N 2.594 111.124 108.800 -0.450 0.000 2.345 431 G HA2 0.141 4.101 3.960 -0.001 0.000 0.310 431 G HA3 0.141 4.101 3.960 -0.001 0.000 0.310 431 G C -1.838 173.136 174.900 0.124 0.000 1.476 431 G CA -1.012 43.983 45.100 -0.175 0.000 0.978 431 G HN 0.543 nan 8.290 nan 0.000 0.656 432 D N 0.127 120.668 120.400 0.234 0.000 2.533 432 D HA 0.399 5.038 4.640 -0.001 0.000 0.236 432 D C 1.549 177.972 176.300 0.206 0.000 1.137 432 D CA 2.263 56.374 54.000 0.185 0.000 0.867 432 D CB 0.936 41.848 40.800 0.186 0.000 1.170 432 D HN 1.869 nan 8.370 nan 0.000 0.474 433 G N 1.883 110.764 108.800 0.135 0.000 2.199 433 G HA2 -0.372 3.587 3.960 -0.001 0.000 0.254 433 G HA3 -0.372 3.587 3.960 -0.001 0.000 0.254 433 G C 1.275 176.248 174.900 0.121 0.000 0.982 433 G CA 0.886 46.059 45.100 0.123 0.000 0.632 433 G HN 0.725 nan 8.290 nan 0.000 0.529 434 A N 1.242 124.129 122.820 0.110 0.000 1.903 434 A HA 0.063 4.383 4.320 -0.001 0.000 0.219 434 A C 0.609 178.178 177.584 -0.025 0.000 1.191 434 A CA 2.719 54.779 52.037 0.039 0.000 0.638 434 A CB -1.203 17.740 19.000 -0.095 0.000 0.823 434 A HN 0.478 nan 8.150 nan 0.000 0.451 435 P HA -0.101 nan 4.420 nan 0.000 0.219 435 P C 1.254 178.556 177.300 0.003 0.000 1.150 435 P CA 1.101 64.121 63.100 -0.133 0.000 0.814 435 P CB 0.018 31.540 31.700 -0.296 0.000 0.787 436 E N -0.576 119.652 120.200 0.047 0.000 2.072 436 E HA -0.071 4.278 4.350 -0.001 0.000 0.190 436 E C 2.100 178.730 176.600 0.051 0.000 0.982 436 E CA 0.944 57.379 56.400 0.058 0.000 0.803 436 E CB -0.690 29.048 29.700 0.064 0.000 0.755 436 E HN 0.335 nan 8.360 nan 0.000 0.453 437 I N 0.742 121.351 120.570 0.065 0.000 2.252 437 I HA -0.230 3.939 4.170 -0.001 0.000 0.245 437 I C 2.434 178.592 176.117 0.067 0.000 1.102 437 I CA 0.587 61.935 61.300 0.079 0.000 1.385 437 I CB -0.128 37.948 38.000 0.127 0.000 1.064 437 I HN 0.014 nan 8.210 nan 0.000 0.414 438 I N 0.737 121.335 120.570 0.046 0.000 2.614 438 I HA -0.266 3.904 4.170 -0.001 0.000 0.258 438 I C 2.400 178.534 176.117 0.027 0.000 1.189 438 I CA 1.249 62.567 61.300 0.029 0.000 1.462 438 I CB -0.303 37.693 38.000 -0.006 0.000 1.092 438 I HN 0.208 nan 8.210 nan 0.000 0.442 439 Q N 1.176 120.992 119.800 0.027 0.000 2.030 439 Q HA -0.191 4.148 4.340 -0.001 0.000 0.204 439 Q C 2.143 178.156 176.000 0.022 0.000 0.986 439 Q CA 2.632 58.448 55.803 0.021 0.000 0.843 439 Q CB -0.538 28.213 28.738 0.022 0.000 0.904 439 Q HN 0.533 nan 8.270 nan 0.000 0.420 440 A N -0.827 122.009 122.820 0.027 0.000 2.119 440 A HA 0.032 4.351 4.320 -0.001 0.000 0.216 440 A C 2.174 179.779 177.584 0.035 0.000 1.152 440 A CA 0.940 52.988 52.037 0.017 0.000 0.708 440 A CB -0.329 18.675 19.000 0.007 0.000 0.805 440 A HN 0.268 nan 8.150 nan 0.000 0.460 441 V N 0.019 119.977 119.914 0.074 0.000 2.407 441 V HA -0.200 3.919 4.120 -0.001 0.000 0.248 441 V C 2.812 178.958 176.094 0.087 0.000 1.055 441 V CA 1.904 64.286 62.300 0.137 0.000 1.049 441 V CB -1.338 30.567 31.823 0.136 0.000 0.662 441 V HN 0.587 nan 8.190 nan 0.000 0.455 442 G N 0.165 108.989 108.800 0.039 0.000 2.440 442 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.218 442 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.218 442 G C 1.642 176.552 174.900 0.017 0.000 1.154 442 G CA 1.393 46.505 45.100 0.019 0.000 0.767 442 G HN 0.418 nan 8.290 nan 0.000 0.552 443 V N 0.656 120.577 119.914 0.011 0.000 2.343 443 V HA -0.241 3.878 4.120 -0.001 0.000 0.247 443 V C 3.065 179.157 176.094 -0.003 0.000 1.051 443 V CA 1.742 64.041 62.300 -0.002 0.000 1.036 443 V CB -1.078 30.737 31.823 -0.014 0.000 0.654 443 V HN 0.510 nan 8.190 nan 0.000 0.451 444 C N -0.130 119.170 119.300 0.000 0.000 2.393 444 C HA -0.177 4.282 4.460 -0.001 0.000 0.276 444 C C 2.642 177.660 174.990 0.048 0.000 1.215 444 C CA 0.981 59.995 59.018 -0.006 0.000 1.743 444 C CB -1.255 26.477 27.740 -0.014 0.000 2.044 444 C HN 0.490 nan 8.230 nan 0.000 0.464 445 L N 0.859 122.132 121.223 0.082 0.000 2.079 445 L HA -0.120 4.219 4.340 -0.001 0.000 0.210 445 L C 2.675 179.565 176.870 0.034 0.000 1.081 445 L CA 1.702 56.581 54.840 0.065 0.000 0.752 445 L CB -0.897 41.189 42.059 0.045 0.000 0.896 445 L HN 0.350 nan 8.230 nan 0.000 0.433 446 R N -0.156 120.356 120.500 0.020 0.000 2.152 446 R HA -0.109 4.231 4.340 -0.001 0.000 0.232 446 R C 1.579 177.884 176.300 0.008 0.000 1.117 446 R CA 1.069 57.175 56.100 0.010 0.000 0.981 446 R CB -0.144 30.156 30.300 0.001 0.000 0.870 446 R HN 0.346 nan 8.270 nan 0.000 0.451 447 L N 1.490 122.716 121.223 0.005 0.000 2.653 447 L HA 0.116 4.455 4.340 -0.001 0.000 0.232 447 L C -0.263 176.611 176.870 0.007 0.000 1.169 447 L CA -0.159 54.680 54.840 -0.002 0.000 0.951 447 L CB -0.055 41.992 42.059 -0.019 0.000 1.181 447 L HN 0.265 nan 8.230 nan 0.000 0.460 448 N N 0.443 119.156 118.700 0.022 0.000 2.740 448 N HA -0.176 4.563 4.740 -0.001 0.000 0.248 448 N C 0.426 175.959 175.510 0.037 0.000 1.062 448 N CA 0.871 53.939 53.050 0.030 0.000 0.704 448 N CB -1.022 37.480 38.487 0.025 0.000 0.968 448 N HN 0.405 nan 8.380 nan 0.000 0.547 449 A N 0.243 123.096 122.820 0.056 0.000 2.587 449 A HA 0.099 4.418 4.320 -0.001 0.000 0.233 449 A C 0.861 178.521 177.584 0.125 0.000 1.049 449 A CA 0.620 52.710 52.037 0.089 0.000 0.754 449 A CB 0.495 19.597 19.000 0.170 0.000 0.977 449 A HN 0.284 nan 8.150 nan 0.000 0.509 450 K N 1.126 121.593 120.400 0.112 0.000 2.139 450 K HA 0.343 4.663 4.320 -0.001 0.000 0.243 450 K C 1.011 177.710 176.600 0.164 0.000 0.983 450 K CA -0.817 55.528 56.287 0.097 0.000 0.890 450 K CB 1.314 33.845 32.500 0.051 0.000 1.090 450 K HN 0.571 nan 8.250 nan 0.000 0.445 451 I N 1.770 122.377 120.570 0.062 0.000 2.264 451 I HA -0.301 3.869 4.170 -0.001 0.000 0.248 451 I C 2.058 178.226 176.117 0.084 0.000 1.111 451 I CA 1.923 63.212 61.300 -0.019 0.000 1.382 451 I CB -0.328 37.506 38.000 -0.277 0.000 1.060 451 I HN 0.746 nan 8.210 nan 0.000 0.418 452 S N -0.433 115.312 115.700 0.075 0.000 2.402 452 S HA -0.177 4.293 4.470 -0.001 0.000 0.229 452 S C 1.794 176.462 174.600 0.114 0.000 1.021 452 S CA 1.117 59.385 58.200 0.112 0.000 0.974 452 S CB -0.767 62.476 63.200 0.072 0.000 0.800 452 S HN 0.499 nan 8.310 nan 0.000 0.484 453 D N 1.297 121.744 120.400 0.079 0.000 2.104 453 D HA -0.079 4.561 4.640 -0.001 0.000 0.194 453 D C 1.544 177.796 176.300 -0.082 0.000 0.994 453 D CA 1.192 55.181 54.000 -0.019 0.000 0.830 453 D CB -0.518 40.238 40.800 -0.074 0.000 0.959 453 D HN 0.459 nan 8.370 nan 0.000 0.452 454 F N 0.087 120.023 119.950 -0.023 0.000 2.069 454 F HA -0.224 4.303 4.527 -0.001 0.000 0.298 454 F C 2.468 178.259 175.800 -0.015 0.000 1.113 454 F CA 1.126 59.109 58.000 -0.028 0.000 1.214 454 F CB -0.762 38.211 39.000 -0.045 0.000 0.978 454 F HN -0.015 nan 8.300 nan 0.000 0.474 455 Y N 1.104 121.465 120.300 0.102 0.000 2.293 455 Y HA -0.169 4.380 4.550 -0.001 0.000 0.291 455 Y C 2.030 177.933 175.900 0.005 0.000 1.137 455 Y CA 1.317 59.434 58.100 0.029 0.000 1.202 455 Y CB -0.593 37.860 38.460 -0.011 0.000 0.990 455 Y HN -0.022 nan 8.280 nan 0.000 0.537 456 N N -0.582 118.106 118.700 -0.021 0.000 2.396 456 N HA -0.057 4.683 4.740 -0.001 0.000 0.180 456 N C 0.270 175.693 175.510 -0.145 0.000 1.028 456 N CA 0.982 53.975 53.050 -0.095 0.000 0.893 456 N CB -0.501 37.980 38.487 -0.009 0.000 0.967 456 N HN 0.147 nan 8.380 nan 0.000 0.440 457 T N 1.926 116.398 114.554 -0.136 0.000 2.888 457 T HA 0.189 4.539 4.350 -0.001 0.000 0.301 457 T C 0.877 175.488 174.700 -0.147 0.000 1.001 457 T CA -0.162 61.858 62.100 -0.134 0.000 1.147 457 T CB 0.813 69.595 68.868 -0.143 0.000 0.931 457 T HN 0.002 nan 8.240 nan 0.000 0.541 458 I N 2.687 123.184 120.570 -0.122 0.000 2.496 458 I HA 0.240 4.409 4.170 -0.001 0.000 0.285 458 I C 1.459 177.524 176.117 -0.086 0.000 1.080 458 I CA -0.319 60.911 61.300 -0.117 0.000 1.404 458 I CB 0.506 38.451 38.000 -0.092 0.000 1.403 458 I HN 0.662 nan 8.210 nan 0.000 0.539 459 G N 5.523 114.271 108.800 -0.085 0.000 2.491 459 G HA2 0.345 4.305 3.960 -0.001 0.000 0.242 459 G HA3 0.345 4.305 3.960 -0.001 0.000 0.242 459 G C -0.222 174.672 174.900 -0.010 0.000 1.266 459 G CA -0.473 44.602 45.100 -0.041 0.000 0.844 459 G HN 0.432 nan 8.290 nan 0.000 0.571 460 V N 1.854 121.773 119.914 0.009 0.000 2.461 460 V HA 0.310 4.430 4.120 -0.001 0.000 0.275 460 V C 0.058 176.198 176.094 0.076 0.000 1.047 460 V CA -0.534 61.782 62.300 0.026 0.000 0.955 460 V CB 0.774 32.599 31.823 0.004 0.000 0.988 460 V HN 0.856 nan 8.190 nan 0.000 0.471 461 H N 5.517 124.563 119.070 -0.040 0.000 2.572 461 H HA 0.747 5.302 4.556 -0.001 0.000 0.359 461 H C -2.606 172.702 175.328 -0.033 0.000 1.134 461 H CA -1.911 54.113 56.048 -0.041 0.000 1.187 461 H CB 2.162 31.898 29.762 -0.042 0.000 1.597 461 H HN 0.576 nan 8.280 nan 0.000 0.524 462 P HA 0.313 nan 4.420 nan 0.000 0.292 462 P C -1.206 175.981 177.300 -0.188 0.000 1.287 462 P CA -0.569 62.190 63.100 -0.569 0.000 0.800 462 P CB 1.368 32.705 31.700 -0.605 0.000 0.945 463 T N -2.218 112.287 114.554 -0.081 0.000 2.841 463 T HA 0.356 4.706 4.350 -0.001 0.000 0.296 463 T C 0.819 175.457 174.700 -0.104 0.000 1.166 463 T CA -0.578 61.475 62.100 -0.079 0.000 1.007 463 T CB 1.002 69.841 68.868 -0.048 0.000 1.253 463 T HN 0.024 nan 8.240 nan 0.000 0.511 464 S N 0.304 115.884 115.700 -0.200 0.000 2.406 464 S HA 0.082 4.551 4.470 -0.001 0.000 0.228 464 S C 2.467 176.908 174.600 -0.264 0.000 1.020 464 S CA 0.792 58.724 58.200 -0.447 0.000 0.965 464 S CB -0.803 61.772 63.200 -1.041 0.000 0.798 464 S HN 0.935 nan 8.310 nan 0.000 0.488 465 A N 2.460 125.219 122.820 -0.101 0.000 1.978 465 A HA -0.215 4.104 4.320 -0.001 0.000 0.220 465 A C 2.041 179.649 177.584 0.040 0.000 1.170 465 A CA 1.691 53.740 52.037 0.021 0.000 0.636 465 A CB -0.681 18.345 19.000 0.043 0.000 0.810 465 A HN 0.771 nan 8.150 nan 0.000 0.448 466 E N -0.634 119.573 120.200 0.012 0.000 2.265 466 E HA -0.232 4.117 4.350 -0.001 0.000 0.196 466 E C 1.402 178.019 176.600 0.028 0.000 0.996 466 E CA 1.142 57.556 56.400 0.023 0.000 0.832 466 E CB -0.247 29.468 29.700 0.024 0.000 0.756 466 E HN 0.412 nan 8.360 nan 0.000 0.491 467 E N 1.127 121.345 120.200 0.030 0.000 2.219 467 E HA -0.112 4.238 4.350 -0.001 0.000 0.198 467 E C 1.862 178.520 176.600 0.098 0.000 0.998 467 E CA 0.814 57.250 56.400 0.061 0.000 0.818 467 E CB -0.177 29.611 29.700 0.146 0.000 0.741 467 E HN 0.439 nan 8.360 nan 0.000 0.477 468 L N -1.189 120.102 121.223 0.114 0.000 2.478 468 L HA -0.060 4.280 4.340 -0.001 0.000 0.223 468 L C 1.381 178.350 176.870 0.165 0.000 1.140 468 L CA 0.234 55.138 54.840 0.107 0.000 0.842 468 L CB 0.157 42.299 42.059 0.138 0.000 0.953 468 L HN 0.147 nan 8.230 nan 0.000 0.452 469 C N -1.726 117.655 119.300 0.136 0.000 3.038 469 C HA 0.171 4.631 4.460 -0.001 0.000 0.279 469 C C 2.002 176.997 174.990 0.008 0.000 1.276 469 C CA -0.153 58.919 59.018 0.091 0.000 1.697 469 C CB -0.274 27.478 27.740 0.020 0.000 2.032 469 C HN 0.317 nan 8.230 nan 0.000 0.636 470 S N 0.237 115.995 115.700 0.097 0.000 2.578 470 S HA 0.328 4.797 4.470 -0.001 0.000 0.231 470 S C 0.277 175.064 174.600 0.313 0.000 0.994 470 S CA 0.031 58.326 58.200 0.158 0.000 0.956 470 S CB -0.022 63.214 63.200 0.059 0.000 0.870 470 S HN 0.532 nan 8.310 nan 0.000 0.494 471 M N 2.531 122.300 119.600 0.281 0.000 2.066 471 M HA 0.335 4.814 4.480 -0.001 0.000 0.340 471 M C 0.962 177.247 176.300 -0.024 0.000 1.053 471 M CA -0.237 55.143 55.300 0.133 0.000 0.983 471 M CB 1.135 33.767 32.600 0.054 0.000 1.520 471 M HN 0.197 nan 8.290 nan 0.000 0.428 472 R N 0.156 120.587 120.500 -0.116 0.000 2.369 472 R HA 0.286 4.626 4.340 -0.001 0.000 0.210 472 R C -0.315 176.026 176.300 0.068 0.000 0.881 472 R CA -0.054 55.839 56.100 -0.345 0.000 1.031 472 R CB 0.424 30.167 30.300 -0.929 0.000 1.184 472 R HN 0.356 nan 8.270 nan 0.000 0.581 473 T N 3.765 118.416 114.554 0.161 0.000 2.786 473 T HA 0.397 4.746 4.350 -0.001 0.000 0.283 473 T C -2.716 171.914 174.700 -0.116 0.000 0.992 473 T CA -1.720 60.435 62.100 0.092 0.000 0.954 473 T CB 2.176 71.050 68.868 0.010 0.000 0.934 473 T HN -0.060 nan 8.240 nan 0.000 0.440 474 P HA 0.109 nan 4.420 nan 0.000 0.265 474 P C 0.480 177.390 177.300 -0.650 0.000 1.187 474 P CA 0.120 62.508 63.100 -1.186 0.000 0.766 474 P CB 0.492 31.312 31.700 -1.466 0.000 0.820 475 S N 1.442 116.788 115.700 -0.590 0.000 2.428 475 S HA 0.010 4.479 4.470 -0.001 0.000 0.230 475 S C 0.357 174.841 174.600 -0.193 0.000 1.014 475 S CA 1.007 59.039 58.200 -0.279 0.000 0.957 475 S CB -0.656 62.456 63.200 -0.148 0.000 0.784 475 S HN 0.707 nan 8.310 nan 0.000 0.499 476 Y N -2.847 117.136 120.300 -0.528 0.000 2.925 476 Y HA 0.645 5.194 4.550 -0.001 0.000 0.349 476 Y C -1.752 173.703 175.900 -0.741 0.000 1.342 476 Y CA -2.146 55.678 58.100 -0.460 0.000 1.093 476 Y CB 0.528 38.839 38.460 -0.248 0.000 1.571 476 Y HN -0.094 nan 8.280 nan 0.000 0.438 477 Y N -0.920 119.369 120.300 -0.018 0.000 2.615 477 Y HA 0.649 5.198 4.550 -0.001 0.000 0.341 477 Y C -1.652 174.159 175.900 -0.147 0.000 1.089 477 Y CA -1.415 56.626 58.100 -0.099 0.000 1.049 477 Y CB 2.212 40.594 38.460 -0.129 0.000 1.296 477 Y HN 0.568 nan 8.280 nan 0.000 0.470 478 Y N 0.766 121.203 120.300 0.228 0.000 2.326 478 Y HA 0.616 5.166 4.550 -0.001 0.000 0.331 478 Y C -0.753 175.236 175.900 0.148 0.000 0.962 478 Y CA -1.042 57.160 58.100 0.171 0.000 1.167 478 Y CB 1.705 40.250 38.460 0.142 0.000 1.148 478 Y HN 0.208 nan 8.280 nan 0.000 0.463 479 V N 4.570 124.612 119.914 0.215 0.000 2.417 479 V HA 0.264 4.384 4.120 -0.001 0.000 0.291 479 V C 0.071 176.246 176.094 0.134 0.000 1.024 479 V CA -1.625 60.760 62.300 0.142 0.000 0.861 479 V CB 1.498 33.356 31.823 0.059 0.000 0.985 479 V HN 0.612 nan 8.190 nan 0.000 0.436 480 K N 3.986 124.462 120.400 0.126 0.000 4.226 480 K HA -0.258 4.061 4.320 -0.001 0.000 0.274 480 K C 1.265 177.938 176.600 0.122 0.000 0.782 480 K CA 1.025 57.376 56.287 0.107 0.000 0.692 480 K CB -1.243 31.299 32.500 0.071 0.000 1.843 480 K HN 1.631 nan 8.250 nan 0.000 0.420 481 G N 0.192 109.091 108.800 0.164 0.000 2.212 481 G HA2 -0.343 3.616 3.960 -0.001 0.000 0.266 481 G HA3 -0.343 3.616 3.960 -0.001 0.000 0.266 481 G C -0.027 175.036 174.900 0.272 0.000 0.978 481 G CA 0.708 45.913 45.100 0.175 0.000 0.632 481 G HN 0.565 nan 8.290 nan 0.000 0.537 482 E N 0.534 120.877 120.200 0.239 0.000 2.151 482 E HA 0.458 4.808 4.350 -0.001 0.000 0.275 482 E C 0.008 176.656 176.600 0.079 0.000 0.936 482 E CA -0.779 55.722 56.400 0.168 0.000 0.777 482 E CB 0.679 30.428 29.700 0.081 0.000 1.108 482 E HN 0.272 nan 8.360 nan 0.000 0.401 483 K N 5.816 126.175 120.400 -0.068 0.000 2.276 483 K HA 0.274 4.594 4.320 -0.001 0.000 0.283 483 K C -0.494 175.970 176.600 -0.227 0.000 1.044 483 K CA -0.122 55.902 56.287 -0.439 0.000 0.944 483 K CB 0.427 32.555 32.500 -0.620 0.000 1.012 483 K HN 0.539 nan 8.250 nan 0.000 0.472 484 M N 1.801 121.305 119.600 -0.160 0.000 2.414 484 M HA 0.186 4.666 4.480 -0.001 0.000 0.287 484 M C 0.056 176.398 176.300 0.070 0.000 1.181 484 M CA -0.796 54.475 55.300 -0.048 0.000 0.933 484 M CB 1.866 34.452 32.600 -0.024 0.000 1.732 484 M HN 0.684 nan 8.290 nan 0.000 0.486 485 E N 1.902 122.130 120.200 0.046 0.000 2.118 485 E HA -0.085 4.264 4.350 -0.001 0.000 0.195 485 E C -0.335 176.395 176.600 0.217 0.000 0.992 485 E CA 1.655 58.122 56.400 0.112 0.000 0.804 485 E CB 0.522 30.246 29.700 0.041 0.000 0.741 485 E HN 0.566 nan 8.360 nan 0.000 0.458 486 K N -0.212 120.252 120.400 0.106 0.000 2.385 486 K HA 0.416 4.735 4.320 -0.001 0.000 0.248 486 K C -0.998 175.465 176.600 -0.229 0.000 0.955 486 K CA -0.635 55.646 56.287 -0.010 0.000 0.816 486 K CB 1.644 34.130 32.500 -0.023 0.000 1.250 486 K HN -0.018 nan 8.250 nan 0.000 0.434 487 L N 4.270 125.205 121.223 -0.480 0.000 2.416 487 L HA 0.226 4.566 4.340 -0.001 0.000 0.272 487 L C -1.271 175.482 176.870 -0.195 0.000 1.161 487 L CA -1.537 53.039 54.840 -0.440 0.000 0.845 487 L CB 0.114 41.874 42.059 -0.498 0.000 1.119 487 L HN 0.589 nan 8.230 nan 0.000 0.464 488 P HA 0.000 nan 4.420 nan 0.000 0.216 488 P CA 0.000 63.056 63.100 -0.073 0.000 0.800 488 P CB 0.000 31.670 31.700 -0.050 0.000 0.726