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 2wow_1_C 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 D 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 0.000 174.636 174.600 0.061 0.000 1.055 -1 S CA 0.000 58.200 58.200 -0.001 0.000 1.107 -1 S CB 0.000 63.232 63.200 0.053 0.000 0.593 0 H N -0.137 118.933 119.070 -0.001 0.000 2.961 0 H HA 0.689 5.245 4.556 -0.000 0.000 0.371 0 H C -0.482 174.845 175.328 -0.002 0.000 1.190 0 H CA -1.106 54.942 56.048 -0.000 0.000 1.138 0 H CB 0.387 30.151 29.762 0.004 0.000 1.816 0 H HN 0.058 nan 8.280 nan 0.000 0.551 1 M N 1.970 121.633 119.600 0.106 0.000 2.248 1 M HA 0.116 4.596 4.480 -0.000 0.000 0.345 1 M C -0.056 176.272 176.300 0.046 0.000 1.243 1 M CA 0.224 55.549 55.300 0.041 0.000 1.090 1 M CB 0.773 33.391 32.600 0.030 0.000 1.683 1 M HN 0.699 nan 8.290 nan 0.000 0.450 2 S N 2.772 118.475 115.700 0.006 0.000 2.585 2 S HA 0.140 4.610 4.470 -0.000 0.000 0.273 2 S C 0.126 174.731 174.600 0.009 0.000 1.339 2 S CA -0.541 57.668 58.200 0.014 0.000 1.028 2 S CB 0.502 63.699 63.200 -0.005 0.000 0.906 2 S HN 0.419 nan 8.310 nan 0.000 0.528 3 K N 1.691 122.114 120.400 0.038 0.000 2.511 3 K HA 0.236 4.556 4.320 -0.000 0.000 0.280 3 K C -0.154 176.357 176.600 -0.149 0.000 1.008 3 K CA 0.100 56.377 56.287 -0.018 0.000 1.050 3 K CB 0.207 32.827 32.500 0.201 0.000 0.889 3 K HN 0.580 nan 8.250 nan 0.000 0.484 4 A N 3.739 126.286 122.820 -0.455 0.000 2.355 4 A HA 0.727 5.046 4.320 -0.000 0.000 0.317 4 A C -1.217 175.920 177.584 -0.745 0.000 1.094 4 A CA -0.721 51.100 52.037 -0.360 0.000 0.764 4 A CB 0.527 19.419 19.000 -0.180 0.000 1.230 4 A HN 0.540 nan 8.150 nan 0.000 0.448 5 F N 0.407 120.382 119.950 0.041 0.000 2.576 5 F HA 0.351 4.878 4.527 -0.000 0.000 0.313 5 F C 0.913 176.764 175.800 0.084 0.000 1.078 5 F CA -0.711 57.328 58.000 0.064 0.000 0.921 5 F CB 1.969 41.016 39.000 0.079 0.000 1.232 5 F HN 0.669 nan 8.300 nan 0.000 0.459 6 D N 0.692 121.229 120.400 0.228 0.000 2.144 6 D HA -0.073 4.567 4.640 -0.000 0.000 0.199 6 D C 0.047 176.589 176.300 0.404 0.000 0.984 6 D CA 1.690 55.841 54.000 0.252 0.000 0.834 6 D CB 0.402 41.218 40.800 0.026 0.000 0.955 6 D HN 0.121 nan 8.370 nan 0.000 0.465 7 L N 0.510 121.931 121.223 0.331 0.000 2.436 7 L HA 0.324 4.664 4.340 -0.000 0.000 0.268 7 L C -1.360 175.645 176.870 0.226 0.000 0.974 7 L CA -0.723 54.324 54.840 0.345 0.000 0.826 7 L CB 2.421 44.653 42.059 0.289 0.000 1.291 7 L HN -0.365 nan 8.230 nan 0.000 0.406 8 V N 5.519 125.535 119.914 0.171 0.000 2.409 8 V HA 0.572 4.692 4.120 -0.000 0.000 0.291 8 V C -0.481 175.651 176.094 0.064 0.000 1.020 8 V CA -0.687 61.624 62.300 0.019 0.000 0.848 8 V CB 1.909 33.700 31.823 -0.054 0.000 0.990 8 V HN 0.523 nan 8.190 nan 0.000 0.430 9 V N 6.507 126.452 119.914 0.052 0.000 2.394 9 V HA 0.491 4.611 4.120 -0.000 0.000 0.282 9 V C -0.086 176.026 176.094 0.030 0.000 1.031 9 V CA -0.423 61.927 62.300 0.083 0.000 0.881 9 V CB 1.667 33.566 31.823 0.127 0.000 0.982 9 V HN 0.674 nan 8.190 nan 0.000 0.451 10 I N 4.426 125.011 120.570 0.025 0.000 2.307 10 I HA 0.717 4.887 4.170 -0.000 0.000 0.289 10 I C 0.644 176.762 176.117 0.002 0.000 1.021 10 I CA -0.043 61.248 61.300 -0.014 0.000 1.224 10 I CB 1.287 39.273 38.000 -0.024 0.000 1.376 10 I HN 0.883 nan 8.210 nan 0.000 0.470 11 G N 4.483 113.276 108.800 -0.013 0.000 3.435 11 G HA2 0.125 4.085 3.960 -0.000 0.000 0.683 11 G HA3 0.125 4.085 3.960 -0.000 0.000 0.683 11 G C -0.309 174.622 174.900 0.053 0.000 1.189 11 G CA -0.407 44.697 45.100 0.006 0.000 1.069 11 G HN 0.888 nan 8.290 nan 0.000 0.508 12 A N 1.632 124.491 122.820 0.066 0.000 3.163 12 A HA 0.754 5.074 4.320 -0.000 0.000 0.283 12 A C 1.369 178.955 177.584 0.003 0.000 1.412 12 A CA 1.158 53.255 52.037 0.101 0.000 1.053 12 A CB -0.273 18.841 19.000 0.191 0.000 1.082 12 A HN 1.972 nan 8.150 nan 0.000 0.639 13 G N -1.058 107.748 108.800 0.010 0.000 2.702 13 G HA2 0.392 4.352 3.960 -0.000 0.000 0.254 13 G HA3 0.392 4.352 3.960 -0.000 0.000 0.254 13 G C 1.061 175.956 174.900 -0.008 0.000 1.380 13 G CA 0.480 45.573 45.100 -0.012 0.000 1.042 13 G HN 0.210 nan 8.290 nan 0.000 0.557 14 S N -0.336 115.371 115.700 0.011 0.000 2.359 14 S HA -0.149 4.321 4.470 -0.000 0.000 0.223 14 S C 2.445 177.075 174.600 0.050 0.000 1.039 14 S CA 1.957 60.174 58.200 0.028 0.000 1.042 14 S CB -0.723 62.501 63.200 0.040 0.000 0.915 14 S HN 0.778 nan 8.310 nan 0.000 0.439 15 G N 0.636 109.474 108.800 0.063 0.000 2.394 15 G HA2 0.046 4.006 3.960 -0.000 0.000 0.215 15 G HA3 0.046 4.006 3.960 -0.000 0.000 0.215 15 G C 1.431 176.389 174.900 0.096 0.000 1.165 15 G CA 0.824 45.972 45.100 0.080 0.000 0.784 15 G HN 0.568 nan 8.290 nan 0.000 0.535 16 G N 0.788 109.644 108.800 0.092 0.000 2.408 16 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.217 16 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.217 16 G C 1.799 176.780 174.900 0.136 0.000 1.150 16 G CA 0.610 45.779 45.100 0.115 0.000 0.776 16 G HN 0.409 nan 8.290 nan 0.000 0.542 17 L N -0.049 121.238 121.223 0.106 0.000 2.056 17 L HA -0.007 4.332 4.340 -0.000 0.000 0.207 17 L C 2.732 179.698 176.870 0.160 0.000 1.078 17 L CA 1.380 56.290 54.840 0.117 0.000 0.749 17 L CB -0.312 41.752 42.059 0.009 0.000 0.901 17 L HN 0.217 nan 8.230 nan 0.000 0.433 18 E N 0.562 120.843 120.200 0.135 0.000 2.085 18 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 18 E C 2.136 178.861 176.600 0.208 0.000 0.994 18 E CA 1.581 58.081 56.400 0.168 0.000 0.801 18 E CB -0.105 29.668 29.700 0.121 0.000 0.743 18 E HN 0.380 nan 8.360 nan 0.000 0.453 19 A N 0.106 123.031 122.820 0.175 0.000 1.877 19 A HA -0.053 4.267 4.320 -0.000 0.000 0.216 19 A C 2.474 180.172 177.584 0.190 0.000 1.186 19 A CA 1.893 54.039 52.037 0.181 0.000 0.620 19 A CB -1.378 17.722 19.000 0.167 0.000 0.822 19 A HN 0.426 nan 8.150 nan 0.000 0.443 20 G N -1.356 107.557 108.800 0.189 0.000 2.414 20 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.215 20 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.215 20 G C 1.539 176.523 174.900 0.139 0.000 1.188 20 G CA 0.932 46.132 45.100 0.166 0.000 0.783 20 G HN 0.677 nan 8.290 nan 0.000 0.537 21 W N 1.907 123.196 121.300 -0.018 0.000 2.333 21 W HA -0.165 4.495 4.660 -0.000 0.000 0.316 21 W C 2.018 178.521 176.519 -0.026 0.000 1.215 21 W CA 1.634 58.946 57.345 -0.055 0.000 1.278 21 W CB -0.399 29.030 29.460 -0.051 0.000 1.154 21 W HN 0.169 nan 8.180 nan 0.000 0.486 22 N N 0.945 119.707 118.700 0.102 0.000 2.120 22 N HA -0.156 4.584 4.740 -0.000 0.000 0.188 22 N C 1.959 177.444 175.510 -0.042 0.000 1.024 22 N CA 2.502 55.542 53.050 -0.016 0.000 0.852 22 N CB -1.167 37.413 38.487 0.156 0.000 1.003 22 N HN 0.224 nan 8.380 nan 0.000 0.424 23 A N 0.789 123.649 122.820 0.067 0.000 1.877 23 A HA 0.026 4.346 4.320 -0.000 0.000 0.216 23 A C 2.345 179.865 177.584 -0.107 0.000 1.186 23 A CA 2.027 54.094 52.037 0.050 0.000 0.620 23 A CB -0.969 18.019 19.000 -0.021 0.000 0.822 23 A HN 0.320 nan 8.150 nan 0.000 0.443 24 A N -0.501 122.221 122.820 -0.163 0.000 1.858 24 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 24 A C 2.481 179.867 177.584 -0.330 0.000 1.190 24 A CA 2.738 54.646 52.037 -0.216 0.000 0.617 24 A CB -1.265 17.612 19.000 -0.204 0.000 0.827 24 A HN 0.769 nan 8.150 nan 0.000 0.443 25 T N -2.318 111.904 114.554 -0.553 0.000 2.976 25 T HA 0.154 4.504 4.350 -0.000 0.000 0.257 25 T C 1.760 176.176 174.700 -0.473 0.000 1.051 25 T CA 1.073 62.794 62.100 -0.632 0.000 1.141 25 T CB -0.381 67.808 68.868 -1.132 0.000 0.881 25 T HN 0.254 nan 8.240 nan 0.000 0.461 26 L N -1.398 119.518 121.223 -0.511 0.000 2.209 26 L HA 0.242 4.582 4.340 -0.000 0.000 0.207 26 L C 1.613 178.042 176.870 -0.735 0.000 1.094 26 L CA 0.823 55.267 54.840 -0.661 0.000 0.790 26 L CB -0.303 41.209 42.059 -0.912 0.000 0.932 26 L HN 0.210 nan 8.230 nan 0.000 0.447 27 Y N -0.462 119.763 120.300 -0.125 0.000 2.500 27 Y HA 0.386 4.936 4.550 -0.000 0.000 0.246 27 Y C 1.672 177.494 175.900 -0.130 0.000 1.146 27 Y CA -0.221 57.821 58.100 -0.098 0.000 1.230 27 Y CB 0.246 38.674 38.460 -0.053 0.000 1.214 27 Y HN 0.152 nan 8.280 nan 0.000 0.526 28 G N 0.735 109.495 108.800 -0.067 0.000 2.203 28 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.263 28 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.263 28 G C 0.180 175.031 174.900 -0.082 0.000 1.012 28 G CA 0.023 45.077 45.100 -0.076 0.000 0.749 28 G HN 0.060 nan 8.290 nan 0.000 0.512 29 K N -0.397 119.924 120.400 -0.133 0.000 2.202 29 K HA 0.425 4.745 4.320 -0.000 0.000 0.264 29 K C 0.567 177.120 176.600 -0.080 0.000 1.010 29 K CA -0.918 55.257 56.287 -0.187 0.000 0.940 29 K CB 0.815 33.028 32.500 -0.479 0.000 0.983 29 K HN 0.276 nan 8.250 nan 0.000 0.475 30 R N 1.205 121.697 120.500 -0.013 0.000 2.216 30 R HA 0.243 4.583 4.340 -0.000 0.000 0.332 30 R C -1.102 175.370 176.300 0.286 0.000 1.056 30 R CA -0.216 55.952 56.100 0.114 0.000 0.901 30 R CB 0.212 30.541 30.300 0.049 0.000 1.039 30 R HN 0.305 nan 8.270 nan 0.000 0.456 31 V N 3.736 123.845 119.914 0.325 0.000 2.540 31 V HA 0.763 4.883 4.120 -0.000 0.000 0.302 31 V C -0.370 175.820 176.094 0.160 0.000 1.035 31 V CA -0.872 61.576 62.300 0.248 0.000 0.873 31 V CB 1.762 33.660 31.823 0.124 0.000 0.992 31 V HN 0.914 nan 8.190 nan 0.000 0.428 32 A N 4.219 126.915 122.820 -0.206 0.000 2.337 32 A HA 0.931 5.251 4.320 -0.000 0.000 0.329 32 A C -0.915 176.650 177.584 -0.031 0.000 1.146 32 A CA -0.579 51.258 52.037 -0.334 0.000 0.800 32 A CB 1.656 19.984 19.000 -1.120 0.000 1.220 32 A HN 0.743 nan 8.150 nan 0.000 0.472 33 V N 2.299 122.287 119.914 0.124 0.000 2.588 33 V HA 0.524 4.644 4.120 -0.000 0.000 0.304 33 V C -0.499 175.541 176.094 -0.090 0.000 1.042 33 V CA -0.585 61.790 62.300 0.125 0.000 0.877 33 V CB 1.598 33.654 31.823 0.389 0.000 0.996 33 V HN 0.679 nan 8.190 nan 0.000 0.425 34 V N 3.267 123.091 119.914 -0.149 0.000 2.459 34 V HA 0.686 4.806 4.120 -0.000 0.000 0.295 34 V C -0.587 175.361 176.094 -0.243 0.000 1.029 34 V CA -0.309 61.802 62.300 -0.314 0.000 0.874 34 V CB 1.824 33.520 31.823 -0.212 0.000 0.985 34 V HN 0.958 nan 8.190 nan 0.000 0.438 35 D N 1.474 121.676 120.400 -0.331 0.000 2.602 35 D HA 0.317 4.957 4.640 -0.000 0.000 0.236 35 D C 0.455 176.613 176.300 -0.235 0.000 1.209 35 D CA -0.317 53.595 54.000 -0.147 0.000 0.831 35 D CB 2.941 43.825 40.800 0.139 0.000 1.478 35 D HN 0.379 nan 8.370 nan 0.000 0.438 36 V N -0.534 119.145 119.914 -0.391 0.000 3.306 36 V HA 0.255 4.375 4.120 -0.000 0.000 0.264 36 V C 0.580 176.621 176.094 -0.090 0.000 1.149 36 V CA 0.909 62.873 62.300 -0.561 0.000 1.143 36 V CB -0.160 30.869 31.823 -1.323 0.000 0.767 36 V HN 0.416 nan 8.190 nan 0.000 0.476 37 Q N -0.508 119.315 119.800 0.037 0.000 2.482 37 Q HA 0.440 4.780 4.340 -0.000 0.000 0.286 37 Q C 0.522 176.567 176.000 0.075 0.000 1.007 37 Q CA 0.319 56.181 55.803 0.099 0.000 0.801 37 Q CB 2.350 31.148 28.738 0.100 0.000 1.455 37 Q HN 0.384 nan 8.270 nan 0.000 0.398 38 T N -2.926 111.637 114.554 0.016 0.000 3.022 38 T HA 0.224 4.574 4.350 -0.000 0.000 0.250 38 T C 0.489 175.130 174.700 -0.098 0.000 1.060 38 T CA 0.557 62.595 62.100 -0.104 0.000 1.013 38 T CB 0.156 68.959 68.868 -0.108 0.000 0.982 38 T HN 0.433 nan 8.240 nan 0.000 0.508 39 S N 0.964 116.626 115.700 -0.062 0.000 2.618 39 S HA 0.554 5.024 4.470 -0.000 0.000 0.277 39 S C -0.483 174.070 174.600 -0.078 0.000 1.138 39 S CA -1.065 57.103 58.200 -0.053 0.000 0.844 39 S CB 1.006 64.158 63.200 -0.080 0.000 1.127 39 S HN 0.687 nan 8.310 nan 0.000 0.474 40 H N -0.137 118.938 119.070 0.008 0.000 2.836 40 H HA 0.648 5.204 4.556 -0.000 0.000 0.368 40 H C 0.733 176.047 175.328 -0.023 0.000 1.164 40 H CA 0.481 56.553 56.048 0.041 0.000 1.425 40 H CB -0.217 29.604 29.762 0.099 0.000 1.414 40 H HN 1.630 nan 8.280 nan 0.000 0.614 41 G N 0.501 109.275 108.800 -0.042 0.000 2.462 41 G HA2 -0.049 3.910 3.960 -0.000 0.000 0.685 41 G HA3 -0.049 3.910 3.960 -0.000 0.000 0.685 41 G C -3.077 171.342 174.900 -0.802 0.000 1.295 41 G CA -0.831 43.964 45.100 -0.509 0.000 0.941 41 G HN 0.769 nan 8.290 nan 0.000 0.554 42 P HA 0.175 nan 4.420 nan 0.000 0.266 42 P C -1.594 175.306 177.300 -0.667 0.000 1.193 42 P CA -0.600 61.886 63.100 -1.023 0.000 0.770 42 P CB 0.456 31.794 31.700 -0.604 0.000 0.836 43 P HA 0.054 nan 4.420 nan 0.000 0.230 43 P C 0.680 177.694 177.300 -0.477 0.000 1.168 43 P CA 1.136 63.830 63.100 -0.676 0.000 0.793 43 P CB 0.119 31.349 31.700 -0.782 0.000 0.851 44 F N -2.565 117.306 119.950 -0.131 0.000 2.731 44 F HA 0.211 4.738 4.527 -0.000 0.000 0.298 44 F C 1.288 177.296 175.800 0.347 0.000 1.106 44 F CA -0.525 57.582 58.000 0.178 0.000 1.329 44 F CB -0.643 38.439 39.000 0.137 0.000 1.100 44 F HN -0.231 nan 8.300 nan 0.000 0.592 45 Y N -1.524 118.955 120.300 0.298 0.000 2.747 45 Y HA -0.366 4.184 4.550 -0.000 0.000 0.477 45 Y C 1.574 177.618 175.900 0.240 0.000 1.168 45 Y CA 0.072 58.322 58.100 0.250 0.000 2.775 45 Y CB -1.975 36.662 38.460 0.294 0.000 1.067 45 Y HN -0.002 nan 8.280 nan 0.000 0.583 46 A N 1.545 124.632 122.820 0.445 0.000 2.327 46 A HA 0.788 5.108 4.320 -0.000 0.000 0.255 46 A C 0.565 178.256 177.584 0.180 0.000 1.099 46 A CA 0.870 53.069 52.037 0.271 0.000 0.801 46 A CB 0.467 19.625 19.000 0.263 0.000 1.062 46 A HN 1.516 nan 8.150 nan 0.000 0.496 47 A N -0.804 122.078 122.820 0.103 0.000 2.809 47 A HA 0.547 4.867 4.320 -0.000 0.000 0.310 47 A C -0.815 176.772 177.584 0.005 0.000 1.138 47 A CA -0.362 51.707 52.037 0.054 0.000 0.610 47 A CB -0.400 18.630 19.000 0.050 0.000 1.432 47 A HN 2.002 nan 8.150 nan 0.000 0.597 48 L N 1.062 122.256 121.223 -0.049 0.000 2.578 48 L HA 0.429 4.769 4.340 -0.000 0.000 0.279 48 L C 1.360 178.131 176.870 -0.165 0.000 1.227 48 L CA 2.719 57.468 54.840 -0.152 0.000 0.900 48 L CB 0.009 41.862 42.059 -0.344 0.000 1.144 48 L HN 2.317 nan 8.230 nan 0.000 0.496 49 G N 2.019 110.621 108.800 -0.331 0.000 2.241 49 G HA2 0.059 4.018 3.960 -0.000 0.000 0.244 49 G HA3 0.059 4.018 3.960 -0.000 0.000 0.244 49 G C 1.233 176.053 174.900 -0.134 0.000 0.998 49 G CA 0.262 45.138 45.100 -0.373 0.000 0.621 49 G HN 2.239 nan 8.290 nan 0.000 0.519 50 G N -1.814 106.954 108.800 -0.053 0.000 2.698 50 G HA2 0.142 4.102 3.960 -0.000 0.000 0.225 50 G HA3 0.142 4.102 3.960 -0.000 0.000 0.225 50 G C 0.745 175.671 174.900 0.044 0.000 1.345 50 G CA 0.700 45.805 45.100 0.008 0.000 0.871 50 G HN 1.259 nan 8.290 nan 0.000 0.540 51 T N -0.421 114.175 114.554 0.070 0.000 2.684 51 T HA -0.234 4.116 4.350 -0.000 0.000 0.267 51 T C 2.556 177.273 174.700 0.028 0.000 1.036 51 T CA 2.681 64.826 62.100 0.076 0.000 1.148 51 T CB -0.733 68.195 68.868 0.101 0.000 0.863 51 T HN 1.200 nan 8.240 nan 0.000 0.436 52 C N 1.198 120.514 119.300 0.027 0.000 2.318 52 C HA -0.173 4.287 4.460 -0.000 0.000 0.272 52 C C 2.759 177.736 174.990 -0.022 0.000 1.156 52 C CA 1.397 60.421 59.018 0.010 0.000 1.783 52 C CB -1.264 26.489 27.740 0.022 0.000 2.023 52 C HN 0.418 nan 8.230 nan 0.000 0.437 53 V N 1.501 121.411 119.914 -0.006 0.000 2.358 53 V HA -0.150 3.970 4.120 -0.000 0.000 0.246 53 V C 2.298 178.351 176.094 -0.069 0.000 1.047 53 V CA 2.430 64.725 62.300 -0.008 0.000 1.035 53 V CB -0.677 31.186 31.823 0.067 0.000 0.658 53 V HN 0.594 nan 8.190 nan 0.000 0.452 54 N N 0.256 118.926 118.700 -0.049 0.000 2.349 54 N HA 0.007 4.747 4.740 -0.000 0.000 0.180 54 N C 0.959 176.336 175.510 -0.223 0.000 1.024 54 N CA 1.745 54.772 53.050 -0.039 0.000 0.869 54 N CB 0.815 39.368 38.487 0.110 0.000 1.022 54 N HN 0.529 nan 8.380 nan 0.000 0.433 55 V N -3.065 116.696 119.914 -0.255 0.000 3.028 55 V HA 0.703 4.823 4.120 -0.000 0.000 0.418 55 V C 0.218 176.178 176.094 -0.223 0.000 1.433 55 V CA -0.346 61.636 62.300 -0.530 0.000 1.543 55 V CB 0.565 32.398 31.823 0.016 0.000 1.329 55 V HN 0.203 nan 8.190 nan 0.000 0.646 56 G N -0.416 108.275 108.800 -0.182 0.000 3.255 56 G HA2 0.253 4.213 3.960 -0.000 0.000 0.161 56 G HA3 0.253 4.213 3.960 -0.000 0.000 0.161 56 G C 0.763 175.696 174.900 0.055 0.000 1.173 56 G CA 0.651 45.804 45.100 0.089 0.000 1.106 56 G HN 0.214 nan 8.290 nan 0.000 0.650 57 C N 0.071 119.389 119.300 0.030 0.000 2.367 57 C HA -0.059 4.401 4.460 -0.000 0.000 0.276 57 C C 2.898 177.838 174.990 -0.085 0.000 1.195 57 C CA 1.202 60.215 59.018 -0.009 0.000 1.756 57 C CB -1.425 26.314 27.740 -0.002 0.000 2.046 57 C HN 0.303 nan 8.230 nan 0.000 0.453 58 V N 2.703 122.561 119.914 -0.094 0.000 2.223 58 V HA -0.144 3.976 4.120 -0.000 0.000 0.244 58 V C 0.214 176.218 176.094 -0.150 0.000 1.045 58 V CA 2.753 64.978 62.300 -0.125 0.000 1.000 58 V CB -1.941 29.819 31.823 -0.104 0.000 0.635 58 V HN 0.415 nan 8.190 nan 0.000 0.445 59 P HA -0.180 nan 4.420 nan 0.000 0.217 59 P C 1.631 178.935 177.300 0.007 0.000 1.151 59 P CA 1.415 64.408 63.100 -0.178 0.000 0.828 59 P CB -0.146 31.295 31.700 -0.432 0.000 0.788 60 K N 1.255 121.735 120.400 0.135 0.000 2.034 60 K HA -0.219 4.101 4.320 -0.000 0.000 0.214 60 K C 2.124 178.639 176.600 -0.140 0.000 1.051 60 K CA 2.138 58.457 56.287 0.053 0.000 0.931 60 K CB -0.556 31.998 32.500 0.090 0.000 0.715 60 K HN -0.076 nan 8.250 nan 0.000 0.446 61 K N 0.927 121.206 120.400 -0.202 0.000 2.097 61 K HA -0.003 4.317 4.320 -0.000 0.000 0.205 61 K C 2.282 178.759 176.600 -0.205 0.000 1.050 61 K CA 1.003 57.099 56.287 -0.319 0.000 0.938 61 K CB -0.275 31.951 32.500 -0.458 0.000 0.718 61 K HN 0.206 nan 8.250 nan 0.000 0.442 62 L N -0.034 121.095 121.223 -0.158 0.000 2.079 62 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 62 L C 2.428 179.240 176.870 -0.097 0.000 1.081 62 L CA 1.465 56.237 54.840 -0.113 0.000 0.752 62 L CB -0.350 41.638 42.059 -0.118 0.000 0.896 62 L HN 0.270 nan 8.230 nan 0.000 0.433 63 M N -1.530 117.991 119.600 -0.131 0.000 2.236 63 M HA -0.124 4.356 4.480 -0.000 0.000 0.266 63 M C 2.229 178.480 176.300 -0.081 0.000 1.070 63 M CA 1.006 56.214 55.300 -0.153 0.000 1.137 63 M CB -0.184 32.267 32.600 -0.248 0.000 1.378 63 M HN 0.005 nan 8.290 nan 0.000 0.426 64 V N 0.022 119.864 119.914 -0.120 0.000 2.427 64 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 64 V C 2.285 178.360 176.094 -0.032 0.000 1.051 64 V CA 2.130 64.386 62.300 -0.074 0.000 1.048 64 V CB -1.013 30.765 31.823 -0.075 0.000 0.666 64 V HN 0.492 nan 8.190 nan 0.000 0.456 65 T N 0.391 114.918 114.554 -0.045 0.000 2.746 65 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 65 T C 1.948 176.680 174.700 0.054 0.000 1.039 65 T CA 1.575 63.652 62.100 -0.038 0.000 1.142 65 T CB -0.676 68.180 68.868 -0.021 0.000 0.866 65 T HN 0.622 nan 8.240 nan 0.000 0.444 66 G N 1.250 110.165 108.800 0.192 0.000 2.446 66 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.217 66 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.217 66 G C 1.837 176.994 174.900 0.429 0.000 1.168 66 G CA 0.976 46.335 45.100 0.431 0.000 0.771 66 G HN 0.591 nan 8.290 nan 0.000 0.551 67 A N 0.252 123.266 122.820 0.323 0.000 1.972 67 A HA -0.079 4.241 4.320 -0.000 0.000 0.219 67 A C 2.308 179.893 177.584 0.002 0.000 1.169 67 A CA 1.890 54.038 52.037 0.187 0.000 0.635 67 A CB -0.393 18.700 19.000 0.155 0.000 0.810 67 A HN 0.481 nan 8.150 nan 0.000 0.446 68 Q N -1.672 118.065 119.800 -0.105 0.000 2.291 68 Q HA -0.181 4.159 4.340 -0.000 0.000 0.206 68 Q C 1.470 177.235 176.000 -0.391 0.000 0.976 68 Q CA 1.428 57.047 55.803 -0.307 0.000 0.875 68 Q CB -0.316 28.172 28.738 -0.417 0.000 0.927 68 Q HN 0.873 nan 8.270 nan 0.000 0.450 69 Y N -0.034 120.242 120.300 -0.040 0.000 2.403 69 Y HA -0.183 4.367 4.550 -0.000 0.000 0.291 69 Y C 2.152 178.036 175.900 -0.025 0.000 1.143 69 Y CA 0.882 58.996 58.100 0.023 0.000 1.257 69 Y CB -0.261 38.219 38.460 0.033 0.000 0.984 69 Y HN 0.188 nan 8.280 nan 0.000 0.550 70 M N 0.070 119.699 119.600 0.048 0.000 2.108 70 M HA -0.261 4.219 4.480 -0.000 0.000 0.261 70 M C 1.085 177.406 176.300 0.035 0.000 1.066 70 M CA 2.129 57.440 55.300 0.018 0.000 1.107 70 M CB -0.056 32.525 32.600 -0.033 0.000 1.356 70 M HN 0.149 nan 8.290 nan 0.000 0.406 71 D N -0.624 119.751 120.400 -0.042 0.000 2.103 71 D HA -0.152 4.488 4.640 -0.000 0.000 0.199 71 D C 1.925 178.251 176.300 0.043 0.000 0.978 71 D CA 1.237 55.219 54.000 -0.029 0.000 0.829 71 D CB -0.767 39.963 40.800 -0.117 0.000 0.981 71 D HN 0.436 nan 8.370 nan 0.000 0.464 72 H N 0.535 119.639 119.070 0.057 0.000 2.319 72 H HA -0.091 4.465 4.556 -0.000 0.000 0.297 72 H C 2.421 177.826 175.328 0.127 0.000 1.097 72 H CA 0.824 56.911 56.048 0.065 0.000 1.285 72 H CB -0.747 29.028 29.762 0.022 0.000 1.368 72 H HN 0.171 nan 8.280 nan 0.000 0.495 73 L N 0.087 121.477 121.223 0.278 0.000 2.046 73 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 73 L C 2.860 179.953 176.870 0.372 0.000 1.077 73 L CA 1.484 56.511 54.840 0.311 0.000 0.747 73 L CB -0.329 41.882 42.059 0.253 0.000 0.896 73 L HN 0.164 nan 8.230 nan 0.000 0.432 74 R N 0.474 121.125 120.500 0.252 0.000 2.073 74 R HA -0.141 4.199 4.340 -0.000 0.000 0.229 74 R C 2.042 178.469 176.300 0.213 0.000 1.120 74 R CA 1.351 57.572 56.100 0.201 0.000 0.967 74 R CB -0.037 30.349 30.300 0.144 0.000 0.862 74 R HN 0.372 nan 8.270 nan 0.000 0.436 75 E N 0.328 120.672 120.200 0.239 0.000 2.208 75 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 75 E C 1.889 178.722 176.600 0.389 0.000 0.988 75 E CA 1.267 57.843 56.400 0.293 0.000 0.828 75 E CB 0.087 29.976 29.700 0.314 0.000 0.763 75 E HN 0.461 nan 8.360 nan 0.000 0.478 76 S N 1.022 116.940 115.700 0.363 0.000 2.419 76 S HA -0.158 4.311 4.470 -0.000 0.000 0.235 76 S C 2.181 177.097 174.600 0.527 0.000 1.019 76 S CA 0.863 59.321 58.200 0.431 0.000 0.982 76 S CB -0.193 63.175 63.200 0.281 0.000 0.789 76 S HN 0.283 nan 8.310 nan 0.000 0.490 77 A N 1.882 124.908 122.820 0.342 0.000 1.940 77 A HA 0.157 4.477 4.320 -0.000 0.000 0.219 77 A C 2.407 180.093 177.584 0.172 0.000 1.176 77 A CA 1.567 53.727 52.037 0.205 0.000 0.631 77 A CB -1.751 17.291 19.000 0.070 0.000 0.814 77 A HN 0.703 nan 8.150 nan 0.000 0.446 78 G N -2.015 106.874 108.800 0.148 0.000 2.471 78 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.219 78 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.219 78 G C 0.945 175.725 174.900 -0.199 0.000 1.125 78 G CA 0.761 45.821 45.100 -0.067 0.000 0.775 78 G HN 0.476 nan 8.290 nan 0.000 0.548 79 F N 0.146 120.198 119.950 0.170 0.000 2.641 79 F HA 0.385 4.911 4.527 -0.000 0.000 0.302 79 F C 1.794 177.663 175.800 0.116 0.000 1.098 79 F CA 0.265 58.370 58.000 0.175 0.000 1.318 79 F CB 0.785 39.949 39.000 0.274 0.000 1.035 79 F HN 0.200 nan 8.300 nan 0.000 0.551 80 G N -1.002 107.911 108.800 0.189 0.000 2.144 80 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.218 80 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.218 80 G C -0.174 174.672 174.900 -0.090 0.000 0.988 80 G CA -0.763 44.333 45.100 -0.007 0.000 0.659 80 G HN 0.231 nan 8.290 nan 0.000 0.522 81 W N 1.065 122.456 121.300 0.152 0.000 2.238 81 W HA 0.633 5.293 4.660 -0.000 0.000 0.321 81 W C 0.736 177.325 176.519 0.117 0.000 1.293 81 W CA -0.131 57.325 57.345 0.185 0.000 1.204 81 W CB 0.626 30.254 29.460 0.280 0.000 1.167 81 W HN 0.166 nan 8.180 nan 0.000 0.553 82 E N 2.585 122.974 120.200 0.315 0.000 2.293 82 E HA 0.673 5.023 4.350 -0.000 0.000 0.270 82 E C -1.097 175.660 176.600 0.261 0.000 0.879 82 E CA -0.946 55.515 56.400 0.102 0.000 0.756 82 E CB 2.145 31.868 29.700 0.038 0.000 1.208 82 E HN 0.285 nan 8.360 nan 0.000 0.428 83 F N -1.281 118.741 119.950 0.120 0.000 2.829 83 F HA 0.235 4.762 4.527 -0.000 0.000 0.319 83 F C -1.391 174.454 175.800 0.075 0.000 1.153 83 F CA -1.428 56.633 58.000 0.100 0.000 0.912 83 F CB 0.443 39.512 39.000 0.115 0.000 1.292 83 F HN 0.195 nan 8.300 nan 0.000 0.447 84 D N 1.420 121.977 120.400 0.263 0.000 2.348 84 D HA 0.285 4.925 4.640 -0.000 0.000 0.259 84 D C 1.355 177.760 176.300 0.174 0.000 1.296 84 D CA 0.877 54.960 54.000 0.139 0.000 0.931 84 D CB 1.309 42.191 40.800 0.136 0.000 1.067 84 D HN 0.887 nan 8.370 nan 0.000 0.503 85 G N 2.640 111.449 108.800 0.014 0.000 2.450 85 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.220 85 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.220 85 G C 1.416 176.373 174.900 0.094 0.000 1.130 85 G CA 1.083 46.207 45.100 0.039 0.000 0.760 85 G HN 0.565 nan 8.290 nan 0.000 0.557 86 S N 0.580 116.323 115.700 0.072 0.000 2.527 86 S HA -0.005 4.465 4.470 -0.000 0.000 0.222 86 S C 2.198 176.843 174.600 0.075 0.000 0.985 86 S CA 1.209 59.447 58.200 0.062 0.000 0.921 86 S CB -0.187 63.039 63.200 0.043 0.000 0.772 86 S HN 0.507 nan 8.310 nan 0.000 0.529 87 S N 0.601 116.362 115.700 0.102 0.000 2.558 87 S HA 0.235 4.705 4.470 -0.000 0.000 0.217 87 S C 0.436 175.091 174.600 0.090 0.000 0.975 87 S CA -0.343 57.912 58.200 0.092 0.000 0.912 87 S CB -0.492 62.766 63.200 0.097 0.000 0.776 87 S HN 0.285 nan 8.310 nan 0.000 0.526 88 V N 2.525 122.508 119.914 0.114 0.000 2.555 88 V HA 0.443 4.563 4.120 -0.000 0.000 0.286 88 V C -0.007 176.125 176.094 0.063 0.000 1.044 88 V CA -0.167 62.192 62.300 0.098 0.000 1.026 88 V CB 0.689 32.601 31.823 0.148 0.000 0.981 88 V HN 0.558 nan 8.190 nan 0.000 0.480 89 K N 4.047 124.472 120.400 0.043 0.000 2.525 89 K HA 0.752 5.072 4.320 -0.000 0.000 0.254 89 K C -0.915 175.709 176.600 0.040 0.000 0.934 89 K CA -0.544 55.770 56.287 0.045 0.000 0.802 89 K CB 1.966 34.499 32.500 0.055 0.000 1.295 89 K HN 0.730 nan 8.250 nan 0.000 0.433 90 A N 3.521 126.366 122.820 0.042 0.000 2.269 90 A HA 0.287 4.607 4.320 -0.000 0.000 0.302 90 A C -0.728 177.000 177.584 0.240 0.000 1.266 90 A CA -0.616 51.450 52.037 0.048 0.000 0.894 90 A CB 0.195 19.100 19.000 -0.158 0.000 1.147 90 A HN 0.707 nan 8.150 nan 0.000 0.537 91 N N 3.363 122.227 118.700 0.274 0.000 2.558 91 N HA -0.003 4.737 4.740 -0.000 0.000 0.233 91 N C 0.841 176.567 175.510 0.361 0.000 1.038 91 N CA -0.712 52.504 53.050 0.276 0.000 0.934 91 N CB 0.191 38.770 38.487 0.153 0.000 1.175 91 N HN 0.867 nan 8.380 nan 0.000 0.512 92 W N 4.902 126.335 121.300 0.221 0.000 2.338 92 W HA -0.191 4.469 4.660 -0.000 0.000 0.304 92 W C 0.688 177.209 176.519 0.003 0.000 1.212 92 W CA 1.288 58.666 57.345 0.056 0.000 1.264 92 W CB 0.239 29.754 29.460 0.093 0.000 1.142 92 W HN 0.505 nan 8.180 nan 0.000 0.512 93 K N 0.302 120.800 120.400 0.164 0.000 2.097 93 K HA -0.178 4.142 4.320 -0.000 0.000 0.206 93 K C 2.142 178.710 176.600 -0.054 0.000 1.049 93 K CA 1.632 57.950 56.287 0.051 0.000 0.933 93 K CB -0.287 32.291 32.500 0.129 0.000 0.717 93 K HN 0.091 nan 8.250 nan 0.000 0.442 94 K N 0.773 121.165 120.400 -0.013 0.000 2.057 94 K HA -0.124 4.196 4.320 -0.000 0.000 0.206 94 K C 2.151 178.684 176.600 -0.112 0.000 1.050 94 K CA 0.829 57.093 56.287 -0.039 0.000 0.935 94 K CB -0.201 32.303 32.500 0.006 0.000 0.715 94 K HN 0.019 nan 8.250 nan 0.000 0.439 95 L N 1.566 122.688 121.223 -0.169 0.000 2.013 95 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 95 L C 1.946 178.581 176.870 -0.392 0.000 1.073 95 L CA 1.675 56.334 54.840 -0.302 0.000 0.753 95 L CB -0.333 41.421 42.059 -0.508 0.000 0.890 95 L HN 0.097 nan 8.230 nan 0.000 0.432 96 I N 0.120 120.375 120.570 -0.524 0.000 2.252 96 I HA -0.214 3.956 4.170 -0.000 0.000 0.245 96 I C 2.718 178.694 176.117 -0.236 0.000 1.102 96 I CA 1.471 62.494 61.300 -0.462 0.000 1.385 96 I CB -2.043 35.653 38.000 -0.508 0.000 1.064 96 I HN 0.406 nan 8.210 nan 0.000 0.414 97 A N 0.836 123.563 122.820 -0.156 0.000 1.902 97 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 97 A C 2.578 180.112 177.584 -0.083 0.000 1.181 97 A CA 1.907 53.900 52.037 -0.074 0.000 0.623 97 A CB -0.755 18.221 19.000 -0.039 0.000 0.818 97 A HN 0.402 nan 8.150 nan 0.000 0.443 98 A N -0.017 122.737 122.820 -0.109 0.000 1.877 98 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 98 A C 2.187 179.697 177.584 -0.122 0.000 1.186 98 A CA 2.000 53.977 52.037 -0.099 0.000 0.620 98 A CB -0.461 18.483 19.000 -0.094 0.000 0.822 98 A HN 0.425 nan 8.150 nan 0.000 0.443 99 K N 0.097 120.395 120.400 -0.171 0.000 2.063 99 K HA -0.214 4.106 4.320 -0.000 0.000 0.208 99 K C 1.579 178.047 176.600 -0.221 0.000 1.048 99 K CA 1.933 58.099 56.287 -0.202 0.000 0.928 99 K CB -0.510 31.841 32.500 -0.248 0.000 0.713 99 K HN 0.412 nan 8.250 nan 0.000 0.442 100 N N 1.492 120.077 118.700 -0.192 0.000 2.069 100 N HA -0.185 4.555 4.740 -0.000 0.000 0.191 100 N C 1.754 177.219 175.510 -0.074 0.000 1.031 100 N CA 1.457 54.409 53.050 -0.164 0.000 0.852 100 N CB -0.410 38.105 38.487 0.048 0.000 1.018 100 N HN 0.330 nan 8.380 nan 0.000 0.423 101 E N 0.829 121.006 120.200 -0.040 0.000 2.077 101 E HA 0.008 4.358 4.350 -0.000 0.000 0.193 101 E C 1.733 178.306 176.600 -0.046 0.000 0.989 101 E CA 1.302 57.692 56.400 -0.018 0.000 0.800 101 E CB -0.401 29.285 29.700 -0.023 0.000 0.746 101 E HN 0.318 nan 8.360 nan 0.000 0.452 102 A N -0.072 122.698 122.820 -0.083 0.000 1.898 102 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 102 A C 2.491 180.018 177.584 -0.094 0.000 1.181 102 A CA 1.521 53.506 52.037 -0.087 0.000 0.620 102 A CB -0.675 18.265 19.000 -0.100 0.000 0.819 102 A HN 0.189 nan 8.150 nan 0.000 0.442 103 V N -0.264 119.560 119.914 -0.150 0.000 2.295 103 V HA -0.224 3.896 4.120 -0.000 0.000 0.246 103 V C 2.476 178.559 176.094 -0.018 0.000 1.049 103 V CA 1.895 64.101 62.300 -0.156 0.000 1.024 103 V CB -0.807 30.787 31.823 -0.381 0.000 0.648 103 V HN 0.564 nan 8.190 nan 0.000 0.447 104 L N 0.515 121.764 121.223 0.043 0.000 2.042 104 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 104 L C 2.082 178.981 176.870 0.048 0.000 1.076 104 L CA 2.084 57.003 54.840 0.133 0.000 0.749 104 L CB -0.977 41.170 42.059 0.147 0.000 0.893 104 L HN 0.311 nan 8.230 nan 0.000 0.432 105 D N -0.529 119.874 120.400 0.005 0.000 2.149 105 D HA -0.183 4.457 4.640 -0.000 0.000 0.198 105 D C 2.283 178.563 176.300 -0.035 0.000 0.990 105 D CA 1.682 55.669 54.000 -0.021 0.000 0.839 105 D CB -0.088 40.687 40.800 -0.040 0.000 0.948 105 D HN 0.446 nan 8.370 nan 0.000 0.460 106 I N 0.601 121.154 120.570 -0.027 0.000 2.286 106 I HA -0.205 3.965 4.170 -0.000 0.000 0.245 106 I C 1.880 178.031 176.117 0.057 0.000 1.104 106 I CA 0.743 62.023 61.300 -0.034 0.000 1.397 106 I CB -0.270 37.727 38.000 -0.006 0.000 1.072 106 I HN -0.037 nan 8.210 nan 0.000 0.417 107 N N 1.011 119.768 118.700 0.095 0.000 2.036 107 N HA -0.225 4.515 4.740 -0.000 0.000 0.195 107 N C 1.773 177.323 175.510 0.067 0.000 1.037 107 N CA 1.381 54.498 53.050 0.113 0.000 0.855 107 N CB -0.086 38.451 38.487 0.083 0.000 1.033 107 N HN 0.305 nan 8.380 nan 0.000 0.423 108 K N 0.443 120.856 120.400 0.022 0.000 2.057 108 K HA -0.107 4.213 4.320 -0.000 0.000 0.207 108 K C 2.420 179.010 176.600 -0.016 0.000 1.049 108 K CA 1.525 57.810 56.287 -0.004 0.000 0.931 108 K CB -0.182 32.310 32.500 -0.012 0.000 0.714 108 K HN 0.245 nan 8.250 nan 0.000 0.440 109 S N 0.216 115.880 115.700 -0.061 0.000 2.399 109 S HA -0.174 4.296 4.470 -0.000 0.000 0.231 109 S C 1.954 176.476 174.600 -0.129 0.000 1.022 109 S CA 0.845 58.967 58.200 -0.129 0.000 0.983 109 S CB -0.492 62.578 63.200 -0.216 0.000 0.803 109 S HN 0.238 nan 8.310 nan 0.000 0.480 110 Y N 2.271 122.553 120.300 -0.030 0.000 2.242 110 Y HA 0.073 4.623 4.550 -0.000 0.000 0.291 110 Y C 2.644 178.605 175.900 0.102 0.000 1.137 110 Y CA 1.086 59.196 58.100 0.017 0.000 1.181 110 Y CB -0.508 37.965 38.460 0.022 0.000 0.989 110 Y HN 0.394 nan 8.280 nan 0.000 0.527 111 E N -0.723 119.567 120.200 0.150 0.000 2.058 111 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 111 E C 2.530 179.209 176.600 0.132 0.000 0.997 111 E CA 1.117 57.559 56.400 0.070 0.000 0.801 111 E CB -0.584 29.099 29.700 -0.029 0.000 0.746 111 E HN 0.555 nan 8.360 nan 0.000 0.450 112 G N 1.488 110.333 108.800 0.075 0.000 2.418 112 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.217 112 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.217 112 G C 1.522 176.468 174.900 0.076 0.000 1.158 112 G CA 0.853 45.987 45.100 0.056 0.000 0.771 112 G HN 0.141 nan 8.290 nan 0.000 0.545 113 M N -0.582 119.055 119.600 0.061 0.000 2.089 113 M HA -0.126 4.354 4.480 -0.000 0.000 0.257 113 M C 2.322 178.673 176.300 0.084 0.000 1.071 113 M CA 1.712 57.043 55.300 0.051 0.000 1.096 113 M CB -0.264 32.319 32.600 -0.029 0.000 1.330 113 M HN 0.267 nan 8.290 nan 0.000 0.403 114 F N 0.479 120.495 119.950 0.110 0.000 2.113 114 F HA -0.180 4.346 4.527 -0.000 0.000 0.297 114 F C 2.034 177.881 175.800 0.080 0.000 1.103 114 F CA 2.106 60.172 58.000 0.110 0.000 1.248 114 F CB -0.779 38.272 39.000 0.084 0.000 0.999 114 F HN 0.321 nan 8.300 nan 0.000 0.475 115 N N -0.203 118.634 118.700 0.229 0.000 2.205 115 N HA -0.186 4.554 4.740 -0.000 0.000 0.186 115 N C 0.979 176.550 175.510 0.102 0.000 1.015 115 N CA 1.294 54.425 53.050 0.135 0.000 0.862 115 N CB -0.123 38.417 38.487 0.089 0.000 0.986 115 N HN 0.206 nan 8.380 nan 0.000 0.429 116 D N -0.292 120.166 120.400 0.097 0.000 2.305 116 D HA 0.005 4.645 4.640 -0.000 0.000 0.206 116 D C 0.071 176.413 176.300 0.071 0.000 0.974 116 D CA 0.787 54.832 54.000 0.075 0.000 0.871 116 D CB 0.071 40.913 40.800 0.069 0.000 0.947 116 D HN 0.097 nan 8.370 nan 0.000 0.516 117 T N 2.476 117.079 114.554 0.082 0.000 2.738 117 T HA 0.177 4.527 4.350 -0.000 0.000 0.298 117 T C 0.292 175.005 174.700 0.021 0.000 0.962 117 T CA -0.645 61.475 62.100 0.033 0.000 0.972 117 T CB 1.745 70.630 68.868 0.028 0.000 0.928 117 T HN -0.150 nan 8.240 nan 0.000 0.474 118 E N 1.634 121.833 120.200 -0.001 0.000 2.398 118 E HA 0.312 4.662 4.350 -0.000 0.000 0.263 118 E C 1.427 178.028 176.600 0.002 0.000 1.046 118 E CA 0.644 57.051 56.400 0.012 0.000 0.908 118 E CB 0.812 30.512 29.700 -0.002 0.000 0.963 118 E HN 0.983 nan 8.360 nan 0.000 0.431 119 G N 1.795 110.622 108.800 0.045 0.000 2.189 119 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.267 119 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.267 119 G C -0.089 174.875 174.900 0.106 0.000 0.975 119 G CA 0.549 45.686 45.100 0.063 0.000 0.644 119 G HN 0.338 nan 8.290 nan 0.000 0.537 120 L N 1.534 122.828 121.223 0.118 0.000 2.377 120 L HA 0.701 5.041 4.340 -0.000 0.000 0.270 120 L C -1.285 175.796 176.870 0.351 0.000 0.991 120 L CA -1.184 53.754 54.840 0.164 0.000 0.851 120 L CB 1.487 43.539 42.059 -0.012 0.000 1.218 120 L HN 0.048 nan 8.230 nan 0.000 0.420 121 D N 3.824 124.472 120.400 0.413 0.000 2.248 121 D HA 0.330 4.970 4.640 -0.000 0.000 0.246 121 D C -1.187 175.235 176.300 0.203 0.000 1.027 121 D CA 0.046 54.238 54.000 0.320 0.000 0.853 121 D CB 2.185 43.128 40.800 0.237 0.000 1.243 121 D HN 0.287 nan 8.370 nan 0.000 0.462 122 F N 1.905 121.648 119.950 -0.346 0.000 2.443 122 F HA 0.527 5.054 4.527 -0.000 0.000 0.335 122 F C -1.332 174.047 175.800 -0.702 0.000 1.104 122 F CA -0.828 56.757 58.000 -0.691 0.000 1.013 122 F CB 0.658 38.960 39.000 -1.164 0.000 1.136 122 F HN 0.101 nan 8.300 nan 0.000 0.470 123 F N 6.801 126.048 119.950 -1.172 0.000 2.477 123 F HA 0.427 4.954 4.527 -0.000 0.000 0.335 123 F C -0.775 174.359 175.800 -1.109 0.000 1.130 123 F CA -1.019 56.494 58.000 -0.812 0.000 0.948 123 F CB 1.656 40.374 39.000 -0.470 0.000 1.154 123 F HN 0.314 nan 8.300 nan 0.000 0.439 124 L N 3.930 124.852 121.223 -0.501 0.000 2.319 124 L HA 0.831 5.171 4.340 -0.000 0.000 0.280 124 L C 0.141 176.925 176.870 -0.142 0.000 1.099 124 L CA 0.597 55.278 54.840 -0.265 0.000 0.828 124 L CB 0.124 42.193 42.059 0.017 0.000 1.150 124 L HN 0.769 nan 8.230 nan 0.000 0.442 125 G N 3.180 111.864 108.800 -0.194 0.000 2.339 125 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.275 125 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.275 125 G C -2.113 172.620 174.900 -0.279 0.000 1.323 125 G CA -0.699 44.337 45.100 -0.107 0.000 0.927 125 G HN 0.517 nan 8.290 nan 0.000 0.486 126 W N 1.232 122.457 121.300 -0.125 0.000 2.294 126 W HA 0.593 5.253 4.660 -0.000 0.000 0.314 126 W C 0.672 177.114 176.519 -0.128 0.000 1.044 126 W CA 0.178 57.433 57.345 -0.150 0.000 1.284 126 W CB 1.777 31.133 29.460 -0.173 0.000 1.231 126 W HN 0.870 nan 8.180 nan 0.000 0.419 127 G N 2.216 111.029 108.800 0.022 0.000 2.372 127 G HA2 0.538 4.498 3.960 -0.000 0.000 0.283 127 G HA3 0.538 4.498 3.960 -0.000 0.000 0.283 127 G C -0.413 174.495 174.900 0.012 0.000 1.177 127 G CA -0.376 44.710 45.100 -0.023 0.000 0.842 127 G HN 0.403 nan 8.290 nan 0.000 0.503 128 S N 0.798 116.494 115.700 -0.007 0.000 2.651 128 S HA 0.647 5.117 4.470 -0.000 0.000 0.279 128 S C -1.184 173.400 174.600 -0.027 0.000 1.148 128 S CA -0.932 57.261 58.200 -0.010 0.000 0.837 128 S CB 1.707 64.902 63.200 -0.008 0.000 1.138 128 S HN 0.320 nan 8.310 nan 0.000 0.478 129 L N 2.030 123.237 121.223 -0.026 0.000 2.261 129 L HA 0.501 4.841 4.340 -0.000 0.000 0.289 129 L C 1.417 178.267 176.870 -0.032 0.000 1.059 129 L CA 0.200 55.021 54.840 -0.032 0.000 0.816 129 L CB 0.577 42.618 42.059 -0.031 0.000 1.191 129 L HN 1.046 nan 8.230 nan 0.000 0.431 130 E N 1.463 121.643 120.200 -0.035 0.000 2.086 130 E HA 0.008 4.357 4.350 -0.000 0.000 0.190 130 E C 0.223 176.803 176.600 -0.033 0.000 0.975 130 E CA 0.832 57.211 56.400 -0.034 0.000 0.813 130 E CB 0.524 30.202 29.700 -0.035 0.000 0.768 130 E HN 0.756 nan 8.360 nan 0.000 0.457 131 S N -1.660 114.019 115.700 -0.035 0.000 2.800 131 S HA 0.216 4.686 4.470 -0.000 0.000 0.293 131 S C 0.251 174.826 174.600 -0.041 0.000 1.209 131 S CA -0.837 57.342 58.200 -0.036 0.000 0.884 131 S CB 0.884 64.064 63.200 -0.034 0.000 1.244 131 S HN 0.059 nan 8.310 nan 0.000 0.540 132 K N 0.173 120.546 120.400 -0.045 0.000 2.365 132 K HA 0.150 4.470 4.320 -0.000 0.000 0.199 132 K C -0.091 176.472 176.600 -0.062 0.000 1.045 132 K CA 1.146 57.399 56.287 -0.057 0.000 0.962 132 K CB -0.311 32.154 32.500 -0.058 0.000 0.759 132 K HN 0.570 nan 8.250 nan 0.000 0.469 133 N N -0.248 118.423 118.700 -0.049 0.000 2.451 133 N HA 0.135 4.875 4.740 -0.000 0.000 0.271 133 N C -1.951 173.545 175.510 -0.024 0.000 1.410 133 N CA -0.284 52.742 53.050 -0.041 0.000 0.884 133 N CB 2.006 40.466 38.487 -0.046 0.000 1.332 133 N HN -0.179 nan 8.380 nan 0.000 0.498 134 V N 0.846 120.743 119.914 -0.029 0.000 2.524 134 V HA 0.424 4.544 4.120 -0.000 0.000 0.297 134 V C -0.494 175.577 176.094 -0.038 0.000 1.035 134 V CA -0.838 61.444 62.300 -0.029 0.000 0.867 134 V CB 2.082 33.885 31.823 -0.033 0.000 1.004 134 V HN -0.185 nan 8.190 nan 0.000 0.426 135 V N 5.463 125.348 119.914 -0.048 0.000 2.435 135 V HA 0.584 4.704 4.120 -0.000 0.000 0.290 135 V C -0.024 176.018 176.094 -0.086 0.000 1.030 135 V CA -0.627 61.632 62.300 -0.068 0.000 0.881 135 V CB 2.039 33.809 31.823 -0.089 0.000 0.983 135 V HN 0.750 nan 8.190 nan 0.000 0.445 136 V N 3.343 123.214 119.914 -0.072 0.000 2.483 136 V HA 0.743 4.863 4.120 -0.000 0.000 0.295 136 V C -0.375 175.678 176.094 -0.069 0.000 1.035 136 V CA -0.660 61.597 62.300 -0.071 0.000 0.896 136 V CB 1.648 33.443 31.823 -0.046 0.000 0.986 136 V HN 0.480 nan 8.190 nan 0.000 0.447 137 V N 5.419 125.285 119.914 -0.080 0.000 2.328 137 V HA 0.563 4.683 4.120 -0.000 0.000 0.278 137 V C 0.354 176.452 176.094 0.006 0.000 1.021 137 V CA -0.432 61.836 62.300 -0.053 0.000 0.838 137 V CB 0.822 32.582 31.823 -0.103 0.000 0.999 137 V HN 0.968 nan 8.190 nan 0.000 0.447 138 R N 2.494 123.030 120.500 0.060 0.000 2.720 138 R HA 0.442 4.782 4.340 -0.000 0.000 0.272 138 R C 0.778 177.162 176.300 0.141 0.000 0.991 138 R CA -0.835 55.307 56.100 0.071 0.000 1.010 138 R CB 1.675 31.996 30.300 0.035 0.000 1.141 138 R HN 0.601 nan 8.270 nan 0.000 0.494 139 E N 0.455 120.713 120.200 0.097 0.000 2.085 139 E HA -0.130 4.220 4.350 -0.000 0.000 0.194 139 E C 0.852 177.556 176.600 0.173 0.000 0.994 139 E CA 1.785 58.264 56.400 0.131 0.000 0.801 139 E CB 0.097 29.840 29.700 0.071 0.000 0.743 139 E HN 0.719 nan 8.360 nan 0.000 0.453 140 T N -4.687 109.845 114.554 -0.038 0.000 2.804 140 T HA 0.622 4.972 4.350 -0.000 0.000 0.290 140 T C 0.931 175.055 174.700 -0.960 0.000 1.099 140 T CA -0.207 61.611 62.100 -0.469 0.000 1.011 140 T CB 1.549 70.233 68.868 -0.307 0.000 1.291 140 T HN -0.095 nan 8.240 nan 0.000 0.523 141 A N -0.014 121.810 122.820 -1.659 0.000 2.019 141 A HA 0.100 4.420 4.320 -0.000 0.000 0.219 141 A C 1.091 178.328 177.584 -0.578 0.000 1.164 141 A CA 1.056 52.284 52.037 -1.348 0.000 0.644 141 A CB -1.011 17.076 19.000 -1.522 0.000 0.805 141 A HN 0.856 nan 8.150 nan 0.000 0.449 142 D N 0.402 120.538 120.400 -0.440 0.000 2.412 142 D HA 0.064 4.704 4.640 -0.000 0.000 0.257 142 D C -1.389 174.802 176.300 -0.182 0.000 1.217 142 D CA -1.722 52.130 54.000 -0.247 0.000 0.897 142 D CB 1.014 41.702 40.800 -0.186 0.000 1.132 142 D HN 0.164 nan 8.370 nan 0.000 0.493 143 P HA -0.116 nan 4.420 nan 0.000 0.231 143 P C 0.408 177.666 177.300 -0.071 0.000 1.158 143 P CA 0.871 63.915 63.100 -0.093 0.000 0.763 143 P CB 0.318 31.972 31.700 -0.077 0.000 0.805 144 K N -0.074 120.282 120.400 -0.074 0.000 2.367 144 K HA 0.078 4.398 4.320 -0.000 0.000 0.194 144 K C 1.267 177.837 176.600 -0.050 0.000 1.027 144 K CA -0.020 56.235 56.287 -0.054 0.000 1.075 144 K CB 0.127 32.598 32.500 -0.049 0.000 0.845 144 K HN 0.174 nan 8.250 nan 0.000 0.529 145 S N 0.848 116.510 115.700 -0.063 0.000 2.589 145 S HA 0.318 4.788 4.470 -0.000 0.000 0.265 145 S C 0.414 174.998 174.600 -0.026 0.000 1.342 145 S CA -0.870 57.301 58.200 -0.048 0.000 1.005 145 S CB 0.954 64.111 63.200 -0.071 0.000 0.909 145 S HN 0.184 nan 8.310 nan 0.000 0.555 146 A N 1.574 124.388 122.820 -0.009 0.000 2.477 146 A HA 0.446 4.766 4.320 -0.000 0.000 0.246 146 A C 0.182 177.770 177.584 0.007 0.000 1.078 146 A CA -0.655 51.383 52.037 0.001 0.000 0.770 146 A CB -0.233 18.773 19.000 0.011 0.000 1.011 146 A HN 0.940 nan 8.150 nan 0.000 0.494 147 V N 4.345 124.260 119.914 0.002 0.000 2.446 147 V HA -0.001 4.119 4.120 -0.000 0.000 0.276 147 V C 1.180 177.282 176.094 0.014 0.000 1.030 147 V CA 0.505 62.806 62.300 0.001 0.000 1.033 147 V CB 0.446 32.263 31.823 -0.010 0.000 0.993 147 V HN 1.062 nan 8.190 nan 0.000 0.477 148 K N 3.020 123.433 120.400 0.022 0.000 2.067 148 K HA 0.152 4.472 4.320 -0.000 0.000 0.203 148 K C 0.369 176.988 176.600 0.031 0.000 1.048 148 K CA 0.739 57.048 56.287 0.038 0.000 0.954 148 K CB 0.295 32.827 32.500 0.055 0.000 0.737 148 K HN 0.620 nan 8.250 nan 0.000 0.444 149 E N 0.311 120.507 120.200 -0.007 0.000 2.366 149 E HA 0.223 4.573 4.350 -0.000 0.000 0.278 149 E C -1.429 175.123 176.600 -0.080 0.000 0.923 149 E CA -0.595 55.783 56.400 -0.037 0.000 0.761 149 E CB 2.625 32.264 29.700 -0.102 0.000 1.231 149 E HN -0.012 nan 8.360 nan 0.000 0.443 150 R N 3.060 123.520 120.500 -0.066 0.000 2.337 150 R HA 0.451 4.791 4.340 -0.000 0.000 0.319 150 R C -0.974 175.285 176.300 -0.068 0.000 0.954 150 R CA -0.386 55.673 56.100 -0.068 0.000 0.840 150 R CB 0.463 30.735 30.300 -0.047 0.000 1.164 150 R HN 0.400 nan 8.270 nan 0.000 0.472 151 L N 3.706 124.875 121.223 -0.089 0.000 2.307 151 L HA 0.399 4.739 4.340 -0.000 0.000 0.284 151 L C 0.067 176.953 176.870 0.028 0.000 1.023 151 L CA -0.752 54.069 54.840 -0.032 0.000 0.810 151 L CB 1.832 43.803 42.059 -0.146 0.000 1.231 151 L HN 0.546 nan 8.230 nan 0.000 0.423 152 Q N 2.476 122.321 119.800 0.076 0.000 2.288 152 Q HA 0.575 4.915 4.340 -0.000 0.000 0.258 152 Q C -0.904 175.168 176.000 0.119 0.000 0.957 152 Q CA -0.442 55.395 55.803 0.055 0.000 0.919 152 Q CB 1.426 30.173 28.738 0.014 0.000 1.185 152 Q HN 0.757 nan 8.270 nan 0.000 0.408 153 A N 4.370 127.237 122.820 0.080 0.000 2.357 153 A HA 0.282 4.602 4.320 -0.000 0.000 0.295 153 A C -0.475 177.142 177.584 0.055 0.000 1.121 153 A CA -0.731 51.377 52.037 0.117 0.000 0.742 153 A CB 1.100 20.154 19.000 0.089 0.000 1.181 153 A HN 0.889 nan 8.150 nan 0.000 0.454 154 D N 0.800 121.244 120.400 0.074 0.000 2.097 154 D HA -0.029 4.611 4.640 -0.000 0.000 0.195 154 D C 0.328 176.458 176.300 -0.283 0.000 0.989 154 D CA 1.788 55.739 54.000 -0.081 0.000 0.827 154 D CB 0.025 40.821 40.800 -0.007 0.000 0.966 154 D HN 0.697 nan 8.370 nan 0.000 0.456 155 H N -1.035 118.163 119.070 0.213 0.000 2.679 155 H HA 0.545 5.101 4.556 -0.000 0.000 0.367 155 H C -0.311 175.127 175.328 0.184 0.000 1.162 155 H CA -0.649 55.538 56.048 0.231 0.000 1.181 155 H CB 2.221 32.262 29.762 0.464 0.000 1.693 155 H HN -0.128 nan 8.280 nan 0.000 0.538 156 I N 3.006 123.686 120.570 0.184 0.000 2.478 156 I HA 0.086 4.256 4.170 -0.000 0.000 0.287 156 I C -0.955 175.249 176.117 0.146 0.000 1.042 156 I CA -0.727 60.640 61.300 0.112 0.000 1.067 156 I CB 2.308 40.309 38.000 0.003 0.000 1.233 156 I HN 0.105 nan 8.210 nan 0.000 0.431 157 L N 7.787 129.131 121.223 0.201 0.000 2.296 157 L HA 0.541 4.880 4.340 -0.000 0.000 0.286 157 L C -0.919 176.026 176.870 0.125 0.000 1.023 157 L CA -0.202 54.769 54.840 0.218 0.000 0.812 157 L CB 1.211 43.424 42.059 0.257 0.000 1.223 157 L HN 0.425 nan 8.230 nan 0.000 0.421 158 L N 6.183 127.470 121.223 0.108 0.000 2.260 158 L HA 0.667 5.007 4.340 -0.000 0.000 0.289 158 L C 0.369 177.289 176.870 0.082 0.000 1.057 158 L CA -0.281 54.602 54.840 0.072 0.000 0.811 158 L CB 1.189 43.280 42.059 0.054 0.000 1.184 158 L HN 0.857 nan 8.230 nan 0.000 0.429 159 A N 1.063 123.924 122.820 0.068 0.000 2.958 159 A HA 0.225 4.545 4.320 -0.000 0.000 0.214 159 A C 0.741 178.359 177.584 0.057 0.000 0.902 159 A CA -0.203 51.878 52.037 0.074 0.000 1.136 159 A CB -0.105 18.948 19.000 0.088 0.000 1.250 159 A HN 0.696 nan 8.150 nan 0.000 0.497 160 T N -2.998 111.586 114.554 0.049 0.000 3.144 160 T HA 0.461 4.811 4.350 -0.000 0.000 0.249 160 T C 1.374 176.118 174.700 0.073 0.000 1.089 160 T CA 1.023 63.147 62.100 0.039 0.000 0.989 160 T CB -0.071 68.810 68.868 0.022 0.000 0.992 160 T HN 2.047 nan 8.240 nan 0.000 0.540 161 G N 1.963 110.815 108.800 0.086 0.000 2.528 161 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.262 161 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.262 161 G C -0.008 174.974 174.900 0.136 0.000 1.200 161 G CA 0.090 45.256 45.100 0.110 0.000 0.951 161 G HN 1.498 nan 8.290 nan 0.000 0.566 162 S N -1.455 114.353 115.700 0.181 0.000 2.811 162 S HA 0.819 5.289 4.470 -0.000 0.000 0.311 162 S C -0.879 173.943 174.600 0.369 0.000 1.152 162 S CA 0.133 58.465 58.200 0.219 0.000 0.864 162 S CB 2.717 66.009 63.200 0.153 0.000 1.226 162 S HN 1.723 nan 8.310 nan 0.000 0.541 163 W N 0.726 122.069 121.300 0.072 0.000 3.296 163 W HA 0.427 5.087 4.660 -0.000 0.000 0.314 163 W C -3.401 173.159 176.519 0.068 0.000 1.238 163 W CA -2.215 55.178 57.345 0.080 0.000 1.193 163 W CB 1.816 31.328 29.460 0.087 0.000 1.383 163 W HN 0.487 nan 8.180 nan 0.000 0.545 164 P HA 0.011 nan 4.420 nan 0.000 0.271 164 P C -0.828 176.458 177.300 -0.024 0.000 1.216 164 P CA 0.457 63.439 63.100 -0.196 0.000 0.771 164 P CB 0.712 32.207 31.700 -0.342 0.000 0.864 165 Q N 2.642 122.462 119.800 0.034 0.000 2.288 165 Q HA 0.411 4.751 4.340 -0.000 0.000 0.254 165 Q C -0.920 175.102 176.000 0.037 0.000 0.932 165 Q CA -0.256 55.589 55.803 0.070 0.000 0.902 165 Q CB 0.454 29.235 28.738 0.071 0.000 1.203 165 Q HN 0.319 nan 8.270 nan 0.000 0.415 166 M N 5.168 124.798 119.600 0.050 0.000 2.259 166 M HA 0.411 4.891 4.480 -0.000 0.000 0.304 166 M C -2.357 173.963 176.300 0.033 0.000 1.019 166 M CA -2.323 52.995 55.300 0.030 0.000 0.922 166 M CB 1.178 33.796 32.600 0.031 0.000 1.600 166 M HN 0.580 nan 8.290 nan 0.000 0.433 167 P HA 0.269 nan 4.420 nan 0.000 0.271 167 P C -0.540 176.768 177.300 0.013 0.000 1.216 167 P CA -0.347 62.764 63.100 0.019 0.000 0.776 167 P CB 0.533 32.240 31.700 0.012 0.000 0.881 168 A N 4.628 127.456 122.820 0.014 0.000 2.990 168 A HA 0.398 4.718 4.320 -0.000 0.000 0.282 168 A C 0.762 178.348 177.584 0.003 0.000 1.688 168 A CA -0.539 51.504 52.037 0.010 0.000 1.391 168 A CB -1.510 17.497 19.000 0.013 0.000 1.112 168 A HN 0.581 nan 8.150 nan 0.000 0.588 169 I N -1.582 118.986 120.570 -0.003 0.000 2.693 169 I HA 0.653 4.823 4.170 -0.000 0.000 0.303 169 I C -2.740 173.374 176.117 -0.005 0.000 1.025 169 I CA -3.167 58.129 61.300 -0.008 0.000 1.086 169 I CB 1.784 39.772 38.000 -0.020 0.000 1.268 169 I HN 0.054 nan 8.210 nan 0.000 0.440 170 P HA 0.176 nan 4.420 nan 0.000 0.264 170 P C 0.715 178.031 177.300 0.027 0.000 1.193 170 P CA 0.773 63.880 63.100 0.012 0.000 0.763 170 P CB 0.689 32.399 31.700 0.018 0.000 0.810 171 G N 2.770 111.590 108.800 0.034 0.000 2.157 171 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.239 171 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.239 171 G C 0.766 175.670 174.900 0.006 0.000 0.982 171 G CA 0.111 45.280 45.100 0.114 0.000 0.650 171 G HN 0.529 nan 8.290 nan 0.000 0.527 172 I N 2.097 122.641 120.570 -0.044 0.000 2.335 172 I HA -0.094 4.076 4.170 -0.000 0.000 0.251 172 I C 2.630 178.692 176.117 -0.093 0.000 1.129 172 I CA 2.324 63.596 61.300 -0.048 0.000 1.402 172 I CB -0.147 37.837 38.000 -0.027 0.000 1.069 172 I HN 0.506 nan 8.210 nan 0.000 0.424 173 E N -0.357 119.729 120.200 -0.191 0.000 2.331 173 E HA -0.274 4.076 4.350 -0.000 0.000 0.199 173 E C 1.211 177.623 176.600 -0.313 0.000 1.008 173 E CA 1.489 57.734 56.400 -0.258 0.000 0.843 173 E CB -0.956 28.575 29.700 -0.283 0.000 0.761 173 E HN 0.622 nan 8.360 nan 0.000 0.507 174 H N -0.402 118.664 119.070 -0.008 0.000 2.539 174 H HA 0.210 4.766 4.556 -0.000 0.000 0.267 174 H C 0.385 175.696 175.328 -0.029 0.000 0.982 174 H CA -0.001 56.038 56.048 -0.015 0.000 1.146 174 H CB -0.035 29.715 29.762 -0.020 0.000 1.382 174 H HN 0.136 nan 8.280 nan 0.000 0.577 175 C N 1.556 120.873 119.300 0.028 0.000 2.399 175 C HA 0.600 5.060 4.460 -0.000 0.000 0.348 175 C C 1.081 176.057 174.990 -0.024 0.000 1.183 175 C CA -0.799 58.215 59.018 -0.007 0.000 2.023 175 C CB 1.381 29.108 27.740 -0.022 0.000 2.361 175 C HN 0.421 nan 8.230 nan 0.000 0.521 176 I N 0.159 120.700 120.570 -0.049 0.000 3.264 176 I HA 0.888 5.058 4.170 -0.000 0.000 0.309 176 I C -0.012 176.040 176.117 -0.109 0.000 1.099 176 I CA -0.231 61.029 61.300 -0.067 0.000 0.989 176 I CB 1.936 39.900 38.000 -0.061 0.000 1.250 176 I HN 0.679 nan 8.210 nan 0.000 0.478 177 S N 0.053 115.656 115.700 -0.162 0.000 2.823 177 S HA 0.401 4.871 4.470 -0.000 0.000 0.316 177 S C 0.860 175.286 174.600 -0.289 0.000 1.116 177 S CA 0.053 58.122 58.200 -0.218 0.000 0.911 177 S CB 1.002 64.039 63.200 -0.271 0.000 1.276 177 S HN 0.855 nan 8.310 nan 0.000 0.565 178 S N 1.222 116.727 115.700 -0.326 0.000 2.399 178 S HA -0.150 4.319 4.470 -0.000 0.000 0.231 178 S C 1.485 175.952 174.600 -0.222 0.000 1.022 178 S CA 1.136 59.062 58.200 -0.457 0.000 0.983 178 S CB -1.062 61.999 63.200 -0.233 0.000 0.803 178 S HN 0.659 nan 8.310 nan 0.000 0.480 179 N N 2.278 120.852 118.700 -0.211 0.000 2.037 179 N HA -0.136 4.604 4.740 -0.000 0.000 0.196 179 N C 1.642 177.096 175.510 -0.095 0.000 1.034 179 N CA 1.994 54.880 53.050 -0.274 0.000 0.861 179 N CB -0.550 37.359 38.487 -0.963 0.000 1.039 179 N HN 0.540 nan 8.380 nan 0.000 0.427 180 E N 0.390 120.501 120.200 -0.149 0.000 2.216 180 E HA 0.153 4.502 4.350 -0.000 0.000 0.192 180 E C 1.884 178.607 176.600 0.206 0.000 0.988 180 E CA 0.686 57.162 56.400 0.126 0.000 0.834 180 E CB -0.364 29.374 29.700 0.064 0.000 0.772 180 E HN 0.352 nan 8.360 nan 0.000 0.479 181 A N 0.408 123.233 122.820 0.007 0.000 1.948 181 A HA -0.198 4.122 4.320 -0.000 0.000 0.220 181 A C 1.697 179.387 177.584 0.177 0.000 1.177 181 A CA 1.247 53.296 52.037 0.020 0.000 0.636 181 A CB -0.884 17.843 19.000 -0.455 0.000 0.815 181 A HN 0.261 nan 8.150 nan 0.000 0.449 182 F N -2.258 117.795 119.950 0.172 0.000 2.494 182 F HA -0.073 4.454 4.527 -0.000 0.000 0.298 182 F C 1.278 176.813 175.800 -0.442 0.000 1.106 182 F CA 1.039 58.979 58.000 -0.100 0.000 1.452 182 F CB -0.310 38.541 39.000 -0.249 0.000 1.085 182 F HN 0.342 nan 8.300 nan 0.000 0.569 183 Y N -1.237 119.315 120.300 0.420 0.000 2.588 183 Y HA 0.318 4.868 4.550 -0.000 0.000 0.247 183 Y C 0.513 176.613 175.900 0.335 0.000 1.157 183 Y CA -0.954 57.349 58.100 0.339 0.000 1.215 183 Y CB -0.250 38.413 38.460 0.338 0.000 1.245 183 Y HN -0.271 nan 8.280 nan 0.000 0.534 184 L N 3.456 124.970 121.223 0.484 0.000 2.640 184 L HA -0.067 4.272 4.340 -0.000 0.000 0.280 184 L C -1.258 175.905 176.870 0.489 0.000 1.229 184 L CA -0.817 54.278 54.840 0.424 0.000 0.919 184 L CB 0.466 42.731 42.059 0.343 0.000 1.168 184 L HN 0.039 nan 8.230 nan 0.000 0.496 185 P HA -0.070 nan 4.420 nan 0.000 0.221 185 P C -0.184 177.304 177.300 0.312 0.000 1.150 185 P CA 1.251 64.520 63.100 0.282 0.000 0.800 185 P CB 0.341 32.149 31.700 0.180 0.000 0.787 186 E N -0.799 119.521 120.200 0.200 0.000 2.343 186 E HA 0.340 4.689 4.350 -0.000 0.000 0.270 186 E C -2.769 173.629 176.600 -0.338 0.000 0.895 186 E CA -2.546 53.889 56.400 0.060 0.000 0.767 186 E CB 1.696 31.402 29.700 0.009 0.000 1.248 186 E HN -0.011 nan 8.360 nan 0.000 0.440 187 P HA 0.198 nan 4.420 nan 0.000 0.276 187 P C -2.481 174.531 177.300 -0.480 0.000 1.230 187 P CA -1.339 61.183 63.100 -0.963 0.000 0.776 187 P CB -0.114 31.221 31.700 -0.609 0.000 0.888 188 P HA 0.198 nan 4.420 nan 0.000 0.275 188 P C 0.935 178.088 177.300 -0.244 0.000 1.227 188 P CA -0.239 62.642 63.100 -0.364 0.000 0.781 188 P CB 1.238 32.636 31.700 -0.503 0.000 0.906 189 R N 2.933 123.337 120.500 -0.160 0.000 2.070 189 R HA -0.062 4.277 4.340 -0.000 0.000 0.233 189 R C 0.340 176.582 176.300 -0.096 0.000 1.137 189 R CA 1.232 57.273 56.100 -0.099 0.000 0.945 189 R CB 0.172 30.432 30.300 -0.067 0.000 0.845 189 R HN 0.489 nan 8.270 nan 0.000 0.430 190 R N -0.090 120.342 120.500 -0.113 0.000 2.534 190 R HA 0.428 4.768 4.340 -0.000 0.000 0.301 190 R C -1.580 174.626 176.300 -0.158 0.000 0.961 190 R CA -0.521 55.519 56.100 -0.100 0.000 0.871 190 R CB 2.783 33.046 30.300 -0.063 0.000 1.170 190 R HN 0.017 nan 8.270 nan 0.000 0.446 191 V N 4.613 124.431 119.914 -0.160 0.000 2.733 191 V HA 0.472 4.591 4.120 -0.000 0.000 0.306 191 V C -1.700 174.334 176.094 -0.099 0.000 1.084 191 V CA -0.998 61.167 62.300 -0.225 0.000 0.905 191 V CB 2.036 33.541 31.823 -0.530 0.000 1.010 191 V HN 0.618 nan 8.190 nan 0.000 0.424 192 L N 6.588 127.766 121.223 -0.075 0.000 2.272 192 L HA 0.753 5.093 4.340 -0.000 0.000 0.289 192 L C 0.367 177.243 176.870 0.011 0.000 1.032 192 L CA 0.439 55.280 54.840 0.001 0.000 0.810 192 L CB 1.717 43.787 42.059 0.019 0.000 1.205 192 L HN 0.914 nan 8.230 nan 0.000 0.422 193 T N 2.486 117.082 114.554 0.069 0.000 2.744 193 T HA 0.560 4.910 4.350 -0.000 0.000 0.291 193 T C -0.215 174.541 174.700 0.092 0.000 0.957 193 T CA -0.728 61.427 62.100 0.092 0.000 1.002 193 T CB 0.837 69.800 68.868 0.159 0.000 0.919 193 T HN 0.311 nan 8.240 nan 0.000 0.468 194 V N 3.714 123.672 119.914 0.073 0.000 2.385 194 V HA 0.773 4.893 4.120 -0.000 0.000 0.269 194 V C 0.941 177.101 176.094 0.110 0.000 1.043 194 V CA 0.308 62.663 62.300 0.092 0.000 0.906 194 V CB 0.020 31.876 31.823 0.055 0.000 0.995 194 V HN 1.479 nan 8.190 nan 0.000 0.467 195 G N 3.511 112.406 108.800 0.159 0.000 2.402 195 G HA2 0.345 4.305 3.960 -0.000 0.000 0.666 195 G HA3 0.345 4.305 3.960 -0.000 0.000 0.666 195 G C -0.035 174.956 174.900 0.152 0.000 1.402 195 G CA -0.418 44.794 45.100 0.187 0.000 0.920 195 G HN 1.052 nan 8.290 nan 0.000 0.651 196 G N -0.274 108.583 108.800 0.095 0.000 3.936 196 G HA2 0.674 4.634 3.960 -0.000 0.000 0.296 196 G HA3 0.674 4.634 3.960 -0.000 0.000 0.296 196 G C 0.693 175.464 174.900 -0.215 0.000 1.121 196 G CA 1.020 45.972 45.100 -0.247 0.000 0.899 196 G HN 1.306 nan 8.290 nan 0.000 0.542 197 G N -0.416 108.365 108.800 -0.032 0.000 3.008 197 G HA2 0.467 4.427 3.960 -0.000 0.000 0.181 197 G HA3 0.467 4.427 3.960 -0.000 0.000 0.181 197 G C 0.574 175.491 174.900 0.028 0.000 1.309 197 G CA -0.756 44.359 45.100 0.025 0.000 1.009 197 G HN 0.009 nan 8.290 nan 0.000 0.584 198 F N -0.414 119.568 119.950 0.054 0.000 2.069 198 F HA -0.045 4.482 4.527 -0.000 0.000 0.298 198 F C 2.640 178.482 175.800 0.071 0.000 1.113 198 F CA 1.501 59.532 58.000 0.052 0.000 1.214 198 F CB -0.168 38.901 39.000 0.115 0.000 0.978 198 F HN 0.104 nan 8.300 nan 0.000 0.474 199 I N -1.554 119.216 120.570 0.333 0.000 2.286 199 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 199 I C 2.597 178.875 176.117 0.268 0.000 1.104 199 I CA 1.062 62.545 61.300 0.304 0.000 1.397 199 I CB -0.500 37.647 38.000 0.245 0.000 1.072 199 I HN 0.069 nan 8.210 nan 0.000 0.417 200 S N 0.391 116.194 115.700 0.172 0.000 2.353 200 S HA -0.166 4.304 4.470 -0.000 0.000 0.222 200 S C 2.119 176.794 174.600 0.125 0.000 1.035 200 S CA 1.623 59.907 58.200 0.141 0.000 1.025 200 S CB -0.225 63.033 63.200 0.096 0.000 0.902 200 S HN 0.217 nan 8.310 nan 0.000 0.440 201 V N 1.665 121.610 119.914 0.053 0.000 2.343 201 V HA -0.148 3.972 4.120 -0.000 0.000 0.247 201 V C 2.405 178.499 176.094 -0.001 0.000 1.051 201 V CA 2.115 64.406 62.300 -0.014 0.000 1.036 201 V CB -0.755 30.993 31.823 -0.125 0.000 0.654 201 V HN 0.531 nan 8.190 nan 0.000 0.451 202 E N -0.730 119.488 120.200 0.030 0.000 2.072 202 E HA -0.190 4.160 4.350 -0.000 0.000 0.191 202 E C 2.075 178.580 176.600 -0.158 0.000 0.985 202 E CA 1.401 57.779 56.400 -0.037 0.000 0.801 202 E CB -0.189 29.506 29.700 -0.007 0.000 0.750 202 E HN 0.580 nan 8.360 nan 0.000 0.452 203 F N 0.797 120.677 119.950 -0.116 0.000 2.206 203 F HA -0.054 4.473 4.527 -0.000 0.000 0.298 203 F C 2.357 178.020 175.800 -0.228 0.000 1.090 203 F CA 0.868 58.690 58.000 -0.297 0.000 1.323 203 F CB -0.338 38.486 39.000 -0.294 0.000 1.028 203 F HN -0.014 nan 8.300 nan 0.000 0.492 204 A N 0.222 123.130 122.820 0.147 0.000 1.917 204 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 204 A C 2.545 180.180 177.584 0.084 0.000 1.182 204 A CA 2.044 54.179 52.037 0.163 0.000 0.633 204 A CB -1.628 17.440 19.000 0.113 0.000 0.819 204 A HN 0.416 nan 8.150 nan 0.000 0.448 205 G N -0.298 108.505 108.800 0.006 0.000 2.408 205 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.217 205 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.217 205 G C 1.511 176.415 174.900 0.007 0.000 1.150 205 G CA 1.005 46.104 45.100 -0.002 0.000 0.776 205 G HN 0.498 nan 8.290 nan 0.000 0.542 206 I N 0.046 120.559 120.570 -0.095 0.000 2.127 206 I HA -0.154 4.016 4.170 -0.000 0.000 0.241 206 I C 2.409 178.597 176.117 0.118 0.000 1.075 206 I CA 1.014 62.280 61.300 -0.057 0.000 1.334 206 I CB -0.349 37.429 38.000 -0.370 0.000 1.040 206 I HN 0.032 nan 8.210 nan 0.000 0.405 207 F N 1.005 121.069 119.950 0.189 0.000 2.216 207 F HA -0.210 4.317 4.527 -0.000 0.000 0.300 207 F C 2.336 178.195 175.800 0.098 0.000 1.085 207 F CA 1.406 59.473 58.000 0.111 0.000 1.326 207 F CB -1.290 37.730 39.000 0.034 0.000 1.027 207 F HN 0.153 nan 8.300 nan 0.000 0.497 208 N N 0.444 119.289 118.700 0.241 0.000 2.149 208 N HA -0.155 4.585 4.740 -0.000 0.000 0.188 208 N C 1.793 177.364 175.510 0.102 0.000 1.019 208 N CA 1.422 54.554 53.050 0.137 0.000 0.857 208 N CB -0.278 38.258 38.487 0.081 0.000 0.997 208 N HN 0.191 nan 8.380 nan 0.000 0.426 209 A N -1.491 121.400 122.820 0.119 0.000 1.970 209 A HA 0.016 4.336 4.320 -0.000 0.000 0.216 209 A C 1.317 178.830 177.584 -0.118 0.000 1.170 209 A CA 0.808 52.828 52.037 -0.028 0.000 0.645 209 A CB -0.499 18.457 19.000 -0.074 0.000 0.816 209 A HN 0.458 nan 8.150 nan 0.000 0.447 210 Y N 0.578 120.975 120.300 0.162 0.000 2.458 210 Y HA 0.141 4.691 4.550 -0.000 0.000 0.256 210 Y C 0.937 176.896 175.900 0.100 0.000 1.159 210 Y CA -0.084 58.135 58.100 0.198 0.000 1.261 210 Y CB 0.269 38.978 38.460 0.415 0.000 1.119 210 Y HN 0.287 nan 8.280 nan 0.000 0.524 211 K N 2.477 122.972 120.400 0.160 0.000 2.414 211 K HA 0.139 4.459 4.320 -0.000 0.000 0.272 211 K C -2.649 173.978 176.600 0.046 0.000 0.993 211 K CA -1.441 54.882 56.287 0.060 0.000 0.964 211 K CB 0.049 32.573 32.500 0.040 0.000 0.925 211 K HN -0.053 nan 8.250 nan 0.000 0.487 212 P HA 0.146 nan 4.420 nan 0.000 0.274 212 P C -2.435 174.874 177.300 0.015 0.000 1.246 212 P CA -1.306 61.808 63.100 0.023 0.000 0.795 212 P CB -0.330 31.375 31.700 0.008 0.000 1.006 213 P HA 0.016 nan 4.420 nan 0.000 0.269 213 P C 0.888 178.192 177.300 0.006 0.000 1.215 213 P CA 0.762 63.870 63.100 0.014 0.000 0.780 213 P CB -0.153 31.558 31.700 0.018 0.000 0.898 214 G N 0.869 109.671 108.800 0.004 0.000 2.166 214 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.260 214 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.260 214 G C 0.587 175.484 174.900 -0.006 0.000 0.986 214 G CA 0.103 45.202 45.100 -0.001 0.000 0.683 214 G HN 0.925 nan 8.290 nan 0.000 0.527 215 G N -0.878 107.918 108.800 -0.006 0.000 2.572 215 G HA2 0.602 4.562 3.960 -0.000 0.000 0.261 215 G HA3 0.602 4.562 3.960 -0.000 0.000 0.261 215 G C -0.304 174.591 174.900 -0.009 0.000 1.197 215 G CA 0.290 45.383 45.100 -0.013 0.000 0.870 215 G HN 0.669 nan 8.290 nan 0.000 0.548 216 K N -0.163 120.228 120.400 -0.015 0.000 2.553 216 K HA 0.472 4.791 4.320 -0.000 0.000 0.250 216 K C -1.226 175.372 176.600 -0.004 0.000 0.953 216 K CA -0.561 55.721 56.287 -0.008 0.000 0.800 216 K CB 1.986 34.479 32.500 -0.011 0.000 1.243 216 K HN 0.286 nan 8.250 nan 0.000 0.435 217 V N 3.823 123.748 119.914 0.018 0.000 2.394 217 V HA 0.527 4.647 4.120 -0.000 0.000 0.282 217 V C -0.462 175.652 176.094 0.034 0.000 1.031 217 V CA -0.463 61.861 62.300 0.041 0.000 0.881 217 V CB 1.667 33.550 31.823 0.101 0.000 0.982 217 V HN 0.859 nan 8.190 nan 0.000 0.451 218 T N 6.424 121.000 114.554 0.036 0.000 2.807 218 T HA 0.583 4.933 4.350 -0.000 0.000 0.279 218 T C -0.610 174.128 174.700 0.064 0.000 0.993 218 T CA -0.287 61.836 62.100 0.039 0.000 0.970 218 T CB 1.437 70.329 68.868 0.040 0.000 0.950 218 T HN 0.530 nan 8.240 nan 0.000 0.441 219 L N 4.444 125.703 121.223 0.060 0.000 2.313 219 L HA 0.728 5.068 4.340 -0.000 0.000 0.283 219 L C -0.176 176.748 176.870 0.089 0.000 1.013 219 L CA -0.654 54.234 54.840 0.079 0.000 0.816 219 L CB 0.363 42.458 42.059 0.060 0.000 1.236 219 L HN 0.934 nan 8.230 nan 0.000 0.419 220 C N 3.003 122.381 119.300 0.130 0.000 2.391 220 C HA 0.704 5.164 4.460 -0.000 0.000 0.339 220 C C -0.632 174.489 174.990 0.218 0.000 1.205 220 C CA -0.964 58.145 59.018 0.152 0.000 1.937 220 C CB 0.683 28.554 27.740 0.218 0.000 2.341 220 C HN 0.823 nan 8.230 nan 0.000 0.516 221 Y N 2.678 122.999 120.300 0.035 0.000 2.492 221 Y HA 0.538 5.088 4.550 -0.000 0.000 0.346 221 Y C 1.246 177.164 175.900 0.030 0.000 0.997 221 Y CA -1.181 56.939 58.100 0.033 0.000 1.025 221 Y CB 1.434 39.903 38.460 0.015 0.000 1.263 221 Y HN 0.912 nan 8.280 nan 0.000 0.454 222 R N 2.042 122.154 120.500 -0.647 0.000 2.148 222 R HA 0.085 4.425 4.340 -0.000 0.000 0.223 222 R C -0.575 175.371 176.300 -0.590 0.000 1.088 222 R CA 1.202 57.014 56.100 -0.480 0.000 0.985 222 R CB -0.203 29.938 30.300 -0.265 0.000 0.880 222 R HN 0.653 nan 8.270 nan 0.000 0.451 223 N N -0.439 117.585 118.700 -1.126 0.000 2.938 223 N HA 0.105 4.845 4.740 -0.000 0.000 0.335 223 N C -0.126 175.266 175.510 -0.196 0.000 1.358 223 N CA -0.745 51.994 53.050 -0.518 0.000 0.812 223 N CB 0.487 38.789 38.487 -0.308 0.000 1.233 223 N HN -0.018 nan 8.380 nan 0.000 0.593 224 N N -0.177 118.543 118.700 0.033 0.000 2.300 224 N HA -0.010 4.730 4.740 -0.000 0.000 0.179 224 N C -0.745 174.868 175.510 0.171 0.000 1.016 224 N CA 0.760 53.860 53.050 0.082 0.000 0.876 224 N CB 0.289 38.803 38.487 0.045 0.000 0.979 224 N HN 0.192 nan 8.380 nan 0.000 0.432 225 L N 1.830 123.222 121.223 0.282 0.000 2.482 225 L HA 0.414 4.754 4.340 -0.000 0.000 0.269 225 L C -0.198 176.676 176.870 0.007 0.000 0.967 225 L CA -0.763 54.163 54.840 0.143 0.000 0.851 225 L CB 1.360 43.462 42.059 0.071 0.000 1.242 225 L HN 0.041 nan 8.230 nan 0.000 0.404 226 I N 2.402 122.844 120.570 -0.214 0.000 3.161 226 I HA 0.208 4.378 4.170 -0.000 0.000 0.284 226 I C 0.403 176.283 176.117 -0.395 0.000 1.252 226 I CA -0.416 60.526 61.300 -0.598 0.000 1.374 226 I CB 0.191 37.953 38.000 -0.395 0.000 1.359 226 I HN 0.762 nan 8.210 nan 0.000 0.606 227 L N 0.617 121.593 121.223 -0.411 0.000 3.598 227 L HA -0.178 4.162 4.340 -0.000 0.000 0.422 227 L C 0.731 177.630 176.870 0.048 0.000 1.262 227 L CA 0.338 55.066 54.840 -0.186 0.000 0.889 227 L CB -1.374 40.471 42.059 -0.358 0.000 1.857 227 L HN 0.807 nan 8.230 nan 0.000 0.858 228 R N 0.758 121.262 120.500 0.007 0.000 2.638 228 R HA 0.259 4.598 4.340 -0.000 0.000 0.268 228 R C 1.471 177.827 176.300 0.094 0.000 1.006 228 R CA 1.516 57.658 56.100 0.069 0.000 1.088 228 R CB 0.339 30.697 30.300 0.097 0.000 0.950 228 R HN 0.452 nan 8.270 nan 0.000 0.419 229 G N 2.897 111.715 108.800 0.030 0.000 2.258 229 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.233 229 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.233 229 G C -0.077 174.685 174.900 -0.231 0.000 1.006 229 G CA -0.044 45.007 45.100 -0.082 0.000 0.620 229 G HN 0.509 nan 8.290 nan 0.000 0.511 230 F N 1.947 121.844 119.950 -0.088 0.000 2.370 230 F HA 0.463 4.990 4.527 -0.000 0.000 0.319 230 F C 0.965 176.667 175.800 -0.164 0.000 1.129 230 F CA -0.320 57.606 58.000 -0.124 0.000 1.109 230 F CB 0.575 39.478 39.000 -0.160 0.000 1.262 230 F HN 0.056 nan 8.300 nan 0.000 0.534 231 D N 1.875 122.248 120.400 -0.045 0.000 2.531 231 D HA -0.108 4.532 4.640 -0.000 0.000 0.239 231 D C 0.917 177.185 176.300 -0.054 0.000 1.144 231 D CA 0.273 54.163 54.000 -0.185 0.000 0.869 231 D CB 0.806 41.420 40.800 -0.311 0.000 1.160 231 D HN 0.778 nan 8.370 nan 0.000 0.484 232 E N 2.365 122.540 120.200 -0.040 0.000 2.058 232 E HA -0.195 4.155 4.350 -0.000 0.000 0.194 232 E C 1.386 177.982 176.600 -0.008 0.000 0.997 232 E CA 1.518 57.913 56.400 -0.007 0.000 0.801 232 E CB 0.140 29.850 29.700 0.015 0.000 0.746 232 E HN 0.613 nan 8.360 nan 0.000 0.450 233 T N 1.592 116.150 114.554 0.007 0.000 2.665 233 T HA -0.206 4.144 4.350 -0.000 0.000 0.268 233 T C 1.970 176.652 174.700 -0.030 0.000 1.035 233 T CA 1.686 63.789 62.100 0.005 0.000 1.151 233 T CB -0.318 68.572 68.868 0.037 0.000 0.862 233 T HN 0.197 nan 8.240 nan 0.000 0.438 234 I N 0.616 121.160 120.570 -0.044 0.000 2.226 234 I HA -0.196 3.974 4.170 -0.000 0.000 0.245 234 I C 2.808 178.862 176.117 -0.105 0.000 1.100 234 I CA 1.337 62.588 61.300 -0.082 0.000 1.374 234 I CB -0.272 37.682 38.000 -0.077 0.000 1.057 234 I HN 0.151 nan 8.210 nan 0.000 0.413 235 R N 0.454 120.904 120.500 -0.083 0.000 2.091 235 R HA -0.210 4.130 4.340 -0.000 0.000 0.238 235 R C 2.167 178.413 176.300 -0.091 0.000 1.136 235 R CA 1.648 57.687 56.100 -0.103 0.000 0.959 235 R CB -0.326 29.936 30.300 -0.065 0.000 0.856 235 R HN 0.440 nan 8.270 nan 0.000 0.437 236 E N -0.056 120.108 120.200 -0.060 0.000 2.072 236 E HA -0.194 4.156 4.350 -0.000 0.000 0.190 236 E C 1.886 178.452 176.600 -0.057 0.000 0.982 236 E CA 0.945 57.316 56.400 -0.048 0.000 0.803 236 E CB 0.101 29.784 29.700 -0.029 0.000 0.755 236 E HN 0.178 nan 8.360 nan 0.000 0.453 237 E N 0.525 120.686 120.200 -0.064 0.000 2.107 237 E HA -0.116 4.234 4.350 -0.000 0.000 0.191 237 E C 1.913 178.464 176.600 -0.083 0.000 0.982 237 E CA 0.499 56.860 56.400 -0.066 0.000 0.809 237 E CB -0.142 29.513 29.700 -0.074 0.000 0.756 237 E HN 0.056 nan 8.360 nan 0.000 0.459 238 V N -0.049 119.796 119.914 -0.115 0.000 2.427 238 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 238 V C 1.934 177.963 176.094 -0.109 0.000 1.051 238 V CA 2.329 64.550 62.300 -0.131 0.000 1.048 238 V CB -0.580 31.125 31.823 -0.196 0.000 0.666 238 V HN 0.402 nan 8.190 nan 0.000 0.456 239 T N 0.103 114.595 114.554 -0.102 0.000 2.635 239 T HA -0.268 4.082 4.350 -0.000 0.000 0.267 239 T C 1.833 176.490 174.700 -0.071 0.000 1.040 239 T CA 2.141 64.192 62.100 -0.082 0.000 1.156 239 T CB -0.272 68.556 68.868 -0.067 0.000 0.863 239 T HN 0.520 nan 8.240 nan 0.000 0.430 240 K N 0.816 121.179 120.400 -0.061 0.000 2.103 240 K HA -0.104 4.216 4.320 -0.000 0.000 0.207 240 K C 2.578 179.136 176.600 -0.070 0.000 1.048 240 K CA 1.245 57.498 56.287 -0.057 0.000 0.930 240 K CB -0.139 32.341 32.500 -0.034 0.000 0.716 240 K HN 0.474 nan 8.250 nan 0.000 0.444 241 Q N 0.421 120.193 119.800 -0.046 0.000 2.245 241 Q HA -0.007 4.333 4.340 -0.000 0.000 0.201 241 Q C 2.131 178.080 176.000 -0.085 0.000 0.955 241 Q CA 0.652 56.445 55.803 -0.017 0.000 0.870 241 Q CB 0.063 28.844 28.738 0.071 0.000 0.945 241 Q HN 0.299 nan 8.270 nan 0.000 0.461 242 L N -0.064 121.108 121.223 -0.084 0.000 2.027 242 L HA -0.151 4.189 4.340 -0.000 0.000 0.206 242 L C 2.400 179.205 176.870 -0.108 0.000 1.074 242 L CA 1.250 56.040 54.840 -0.084 0.000 0.745 242 L CB -0.770 41.246 42.059 -0.072 0.000 0.898 242 L HN 0.186 nan 8.230 nan 0.000 0.433 243 T N 0.299 114.788 114.554 -0.109 0.000 2.665 243 T HA -0.268 4.082 4.350 -0.000 0.000 0.268 243 T C 1.931 176.521 174.700 -0.183 0.000 1.035 243 T CA 1.630 63.659 62.100 -0.118 0.000 1.151 243 T CB -0.369 68.440 68.868 -0.098 0.000 0.862 243 T HN 0.460 nan 8.240 nan 0.000 0.438 244 A N 1.329 123.980 122.820 -0.283 0.000 2.070 244 A HA -0.051 4.268 4.320 -0.000 0.000 0.220 244 A C 2.033 179.304 177.584 -0.523 0.000 1.159 244 A CA 1.322 53.072 52.037 -0.479 0.000 0.656 244 A CB -0.516 17.980 19.000 -0.840 0.000 0.800 244 A HN 0.405 nan 8.150 nan 0.000 0.453 245 N N -1.214 117.266 118.700 -0.366 0.000 2.322 245 N HA 0.226 4.965 4.740 -0.000 0.000 0.194 245 N C 0.920 176.360 175.510 -0.117 0.000 1.126 245 N CA 1.032 53.952 53.050 -0.217 0.000 0.845 245 N CB 0.268 38.688 38.487 -0.113 0.000 0.976 245 N HN 0.522 nan 8.380 nan 0.000 0.475 246 G N -0.133 108.597 108.800 -0.116 0.000 2.176 246 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.232 246 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.232 246 G C 0.031 174.905 174.900 -0.043 0.000 0.986 246 G CA -0.128 44.931 45.100 -0.069 0.000 0.643 246 G HN 0.269 nan 8.290 nan 0.000 0.522 247 I N 1.202 121.746 120.570 -0.044 0.000 2.519 247 I HA 0.448 4.618 4.170 -0.000 0.000 0.287 247 I C 0.571 176.672 176.117 -0.027 0.000 1.047 247 I CA -0.519 60.770 61.300 -0.018 0.000 1.381 247 I CB 1.324 39.319 38.000 -0.009 0.000 1.417 247 I HN 0.291 nan 8.210 nan 0.000 0.540 248 E N 7.372 127.564 120.200 -0.014 0.000 2.156 248 E HA 0.416 4.766 4.350 -0.000 0.000 0.279 248 E C -1.176 175.415 176.600 -0.014 0.000 0.965 248 E CA -0.306 56.081 56.400 -0.022 0.000 0.789 248 E CB 0.885 30.572 29.700 -0.022 0.000 1.098 248 E HN 0.433 nan 8.360 nan 0.000 0.397 249 I N 5.549 126.106 120.570 -0.022 0.000 2.306 249 I HA 0.230 4.400 4.170 -0.000 0.000 0.288 249 I C -0.020 176.087 176.117 -0.016 0.000 1.036 249 I CA -0.515 60.779 61.300 -0.010 0.000 1.221 249 I CB 0.805 38.796 38.000 -0.014 0.000 1.385 249 I HN 0.536 nan 8.210 nan 0.000 0.472 250 M N 6.496 126.085 119.600 -0.018 0.000 2.094 250 M HA 0.197 4.677 4.480 -0.000 0.000 0.348 250 M C 0.442 176.729 176.300 -0.022 0.000 1.267 250 M CA -0.251 55.010 55.300 -0.065 0.000 1.125 250 M CB 0.931 33.445 32.600 -0.144 0.000 1.527 250 M HN 0.600 nan 8.290 nan 0.000 0.447 251 T N -0.565 113.977 114.554 -0.019 0.000 2.912 251 T HA 0.338 4.687 4.350 -0.000 0.000 0.280 251 T C 0.721 175.386 174.700 -0.059 0.000 0.989 251 T CA -0.818 61.291 62.100 0.016 0.000 0.995 251 T CB 0.795 69.694 68.868 0.052 0.000 1.077 251 T HN 0.754 nan 8.240 nan 0.000 0.531 252 N N 1.166 119.810 118.700 -0.094 0.000 2.708 252 N HA -0.148 4.592 4.740 -0.000 0.000 0.251 252 N C -0.678 174.768 175.510 -0.106 0.000 1.017 252 N CA 0.957 53.935 53.050 -0.120 0.000 0.742 252 N CB -0.753 37.684 38.487 -0.084 0.000 0.943 252 N HN 0.740 nan 8.380 nan 0.000 0.539 253 E N 0.380 120.522 120.200 -0.097 0.000 2.367 253 E HA 0.540 4.890 4.350 -0.000 0.000 0.273 253 E C -0.629 176.034 176.600 0.105 0.000 0.903 253 E CA -0.660 55.714 56.400 -0.044 0.000 0.764 253 E CB 2.230 31.770 29.700 -0.266 0.000 1.252 253 E HN 0.208 nan 8.360 nan 0.000 0.446 254 N N 1.236 120.106 118.700 0.283 0.000 2.493 254 N HA 0.319 5.059 4.740 -0.000 0.000 0.279 254 N C -3.084 172.538 175.510 0.186 0.000 1.082 254 N CA -1.418 51.758 53.050 0.210 0.000 0.963 254 N CB 2.059 40.587 38.487 0.070 0.000 1.627 254 N HN 0.001 nan 8.380 nan 0.000 0.499 255 P HA 0.181 nan 4.420 nan 0.000 0.267 255 P C -0.481 176.748 177.300 -0.119 0.000 1.205 255 P CA 0.059 63.006 63.100 -0.256 0.000 0.765 255 P CB 1.052 32.586 31.700 -0.277 0.000 0.828 256 A N 4.301 127.044 122.820 -0.129 0.000 2.140 256 A HA 0.184 4.504 4.320 -0.000 0.000 0.209 256 A C 0.451 177.995 177.584 -0.066 0.000 1.181 256 A CA 0.972 52.973 52.037 -0.060 0.000 0.824 256 A CB -0.231 18.753 19.000 -0.026 0.000 0.879 256 A HN 0.595 nan 8.150 nan 0.000 0.480 257 K N -2.555 117.779 120.400 -0.111 0.000 2.703 257 K HA 0.556 4.876 4.320 -0.000 0.000 0.285 257 K C -1.943 174.598 176.600 -0.098 0.000 1.014 257 K CA -0.788 55.456 56.287 -0.072 0.000 0.858 257 K CB 1.046 33.530 32.500 -0.027 0.000 1.467 257 K HN -0.017 nan 8.250 nan 0.000 0.383 258 V N 1.229 121.126 119.914 -0.029 0.000 2.760 258 V HA 0.629 4.749 4.120 -0.000 0.000 0.309 258 V C -0.890 175.233 176.094 0.048 0.000 1.077 258 V CA -0.474 61.814 62.300 -0.019 0.000 0.910 258 V CB 1.954 33.783 31.823 0.010 0.000 1.008 258 V HN 0.985 nan 8.190 nan 0.000 0.424 259 S N 3.896 119.590 115.700 -0.009 0.000 2.599 259 S HA 0.773 5.243 4.470 -0.000 0.000 0.294 259 S C -0.857 173.586 174.600 -0.261 0.000 1.094 259 S CA -0.851 57.295 58.200 -0.091 0.000 0.931 259 S CB 1.862 65.055 63.200 -0.011 0.000 1.093 259 S HN 0.566 nan 8.310 nan 0.000 0.488 260 L N 2.670 123.622 121.223 -0.452 0.000 2.313 260 L HA 0.314 4.654 4.340 -0.000 0.000 0.282 260 L C 0.085 176.856 176.870 -0.165 0.000 1.092 260 L CA -0.585 54.033 54.840 -0.369 0.000 0.831 260 L CB 0.402 42.223 42.059 -0.397 0.000 1.159 260 L HN 0.704 nan 8.230 nan 0.000 0.442 261 N N 1.029 119.665 118.700 -0.106 0.000 2.399 261 N HA 0.025 4.765 4.740 -0.000 0.000 0.250 261 N C 1.244 176.711 175.510 -0.070 0.000 1.272 261 N CA 0.259 53.261 53.050 -0.080 0.000 0.928 261 N CB 0.948 39.403 38.487 -0.054 0.000 1.158 261 N HN 0.599 nan 8.380 nan 0.000 0.463 262 T N -2.529 111.989 114.554 -0.060 0.000 2.881 262 T HA -0.174 4.176 4.350 -0.000 0.000 0.270 262 T C 0.835 175.514 174.700 -0.034 0.000 1.068 262 T CA 1.188 63.261 62.100 -0.044 0.000 1.131 262 T CB -0.215 68.630 68.868 -0.039 0.000 0.871 262 T HN 0.596 nan 8.240 nan 0.000 0.479 263 D N 0.918 121.298 120.400 -0.033 0.000 2.349 263 D HA 0.234 4.874 4.640 -0.000 0.000 0.224 263 D C 1.677 177.962 176.300 -0.026 0.000 1.029 263 D CA 0.588 54.573 54.000 -0.025 0.000 0.879 263 D CB -0.736 40.051 40.800 -0.022 0.000 0.906 263 D HN 0.612 nan 8.370 nan 0.000 0.528 264 G N 0.113 108.892 108.800 -0.035 0.000 2.217 264 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.246 264 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.246 264 G C 0.531 175.406 174.900 -0.042 0.000 0.990 264 G CA 0.439 45.518 45.100 -0.034 0.000 0.627 264 G HN 0.852 nan 8.290 nan 0.000 0.522 265 S N -0.249 115.426 115.700 -0.041 0.000 2.596 265 S HA 0.638 5.108 4.470 -0.000 0.000 0.260 265 S C 0.048 174.618 174.600 -0.050 0.000 1.336 265 S CA 0.342 58.517 58.200 -0.041 0.000 0.993 265 S CB 1.530 64.713 63.200 -0.027 0.000 0.923 265 S HN 0.337 nan 8.310 nan 0.000 0.567 266 K N 0.647 121.021 120.400 -0.043 0.000 2.182 266 K HA 0.388 4.707 4.320 -0.000 0.000 0.262 266 K C -1.069 175.529 176.600 -0.003 0.000 0.957 266 K CA -0.378 55.880 56.287 -0.048 0.000 0.842 266 K CB 0.965 33.431 32.500 -0.057 0.000 1.099 266 K HN 0.771 nan 8.250 nan 0.000 0.438 267 H N 1.970 120.980 119.070 -0.101 0.000 2.685 267 H HA 0.389 4.945 4.556 -0.000 0.000 0.286 267 H C -1.055 174.212 175.328 -0.102 0.000 1.102 267 H CA -0.548 55.452 56.048 -0.081 0.000 1.254 267 H CB 0.316 30.036 29.762 -0.070 0.000 1.397 267 H HN 0.214 nan 8.280 nan 0.000 0.473 268 V N 5.600 125.257 119.914 -0.428 0.000 2.432 268 V HA 0.242 4.362 4.120 -0.000 0.000 0.275 268 V C 0.258 176.012 176.094 -0.567 0.000 1.043 268 V CA -0.416 61.606 62.300 -0.463 0.000 0.925 268 V CB 1.419 32.920 31.823 -0.535 0.000 0.985 268 V HN 0.839 nan 8.190 nan 0.000 0.466 269 T N 5.964 120.259 114.554 -0.432 0.000 2.771 269 T HA 0.592 4.942 4.350 -0.000 0.000 0.281 269 T C -0.354 174.140 174.700 -0.343 0.000 0.982 269 T CA -0.124 61.811 62.100 -0.274 0.000 0.978 269 T CB 0.511 69.322 68.868 -0.094 0.000 0.930 269 T HN 0.264 nan 8.240 nan 0.000 0.447 270 F N 1.274 121.185 119.950 -0.064 0.000 2.380 270 F HA 0.259 4.786 4.527 -0.000 0.000 0.325 270 F C 1.978 177.760 175.800 -0.031 0.000 1.136 270 F CA -0.681 57.292 58.000 -0.044 0.000 1.171 270 F CB 0.549 39.522 39.000 -0.045 0.000 1.230 270 F HN 0.657 nan 8.300 nan 0.000 0.554 271 E N 0.297 120.591 120.200 0.156 0.000 2.187 271 E HA -0.235 4.115 4.350 -0.000 0.000 0.199 271 E C 2.031 178.676 176.600 0.075 0.000 1.004 271 E CA 1.758 58.206 56.400 0.080 0.000 0.813 271 E CB -0.180 29.553 29.700 0.054 0.000 0.736 271 E HN 0.639 nan 8.360 nan 0.000 0.468 272 S N -0.981 114.777 115.700 0.097 0.000 2.522 272 S HA 0.080 4.550 4.470 -0.000 0.000 0.227 272 S C 1.661 176.294 174.600 0.056 0.000 0.986 272 S CA 0.599 58.830 58.200 0.051 0.000 0.929 272 S CB 0.378 63.585 63.200 0.012 0.000 0.769 272 S HN 0.431 nan 8.310 nan 0.000 0.529 273 G N 0.725 109.581 108.800 0.093 0.000 2.194 273 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.236 273 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.236 273 G C 0.065 175.023 174.900 0.098 0.000 0.987 273 G CA 0.070 45.217 45.100 0.078 0.000 0.635 273 G HN 0.580 nan 8.290 nan 0.000 0.520 274 K N 1.050 121.523 120.400 0.121 0.000 2.230 274 K HA 0.515 4.835 4.320 -0.000 0.000 0.253 274 K C 0.670 177.455 176.600 0.309 0.000 1.008 274 K CA 0.949 57.312 56.287 0.126 0.000 0.910 274 K CB 0.516 32.986 32.500 -0.050 0.000 0.994 274 K HN 0.490 nan 8.250 nan 0.000 0.495 275 T N -1.196 113.489 114.554 0.218 0.000 2.883 275 T HA 0.653 5.002 4.350 -0.000 0.000 0.301 275 T C -1.387 173.401 174.700 0.147 0.000 1.158 275 T CA -1.023 61.153 62.100 0.126 0.000 1.007 275 T CB 1.324 70.167 68.868 -0.042 0.000 1.186 275 T HN 0.333 nan 8.240 nan 0.000 0.499 276 L N 1.062 122.307 121.223 0.037 0.000 2.565 276 L HA 0.647 4.987 4.340 -0.000 0.000 0.261 276 L C -2.053 174.787 176.870 -0.050 0.000 0.932 276 L CA -0.297 54.582 54.840 0.065 0.000 0.878 276 L CB 2.288 44.486 42.059 0.231 0.000 1.333 276 L HN 0.797 nan 8.230 nan 0.000 0.409 277 D N 2.941 123.350 120.400 0.014 0.000 2.198 277 D HA 0.706 5.346 4.640 -0.000 0.000 0.245 277 D C -0.693 175.605 176.300 -0.002 0.000 1.079 277 D CA 0.326 54.342 54.000 0.027 0.000 0.854 277 D CB 1.843 42.688 40.800 0.076 0.000 1.148 277 D HN 0.469 nan 8.370 nan 0.000 0.456 278 V N -0.511 119.386 119.914 -0.027 0.000 3.114 278 V HA 0.454 4.573 4.120 -0.000 0.000 0.308 278 V C 0.309 176.363 176.094 -0.066 0.000 1.168 278 V CA -0.801 61.468 62.300 -0.051 0.000 1.015 278 V CB 2.318 34.101 31.823 -0.066 0.000 1.050 278 V HN 0.288 nan 8.190 nan 0.000 0.433 279 D N 0.626 120.971 120.400 -0.091 0.000 2.194 279 D HA 0.084 4.724 4.640 -0.000 0.000 0.204 279 D C 0.445 176.674 176.300 -0.119 0.000 0.964 279 D CA 1.485 55.425 54.000 -0.100 0.000 0.846 279 D CB 0.772 41.504 40.800 -0.114 0.000 0.962 279 D HN 0.390 nan 8.370 nan 0.000 0.490 280 V N 1.276 121.091 119.914 -0.164 0.000 2.686 280 V HA 0.237 4.357 4.120 -0.000 0.000 0.306 280 V C -0.320 175.679 176.094 -0.157 0.000 1.065 280 V CA -0.811 61.381 62.300 -0.180 0.000 0.894 280 V CB 2.952 34.599 31.823 -0.292 0.000 1.004 280 V HN -0.261 nan 8.190 nan 0.000 0.424 281 V N 5.616 125.464 119.914 -0.109 0.000 2.334 281 V HA 0.441 4.561 4.120 -0.000 0.000 0.281 281 V C 0.000 176.043 176.094 -0.085 0.000 1.016 281 V CA -0.269 61.978 62.300 -0.088 0.000 0.832 281 V CB 1.465 33.247 31.823 -0.069 0.000 0.999 281 V HN 0.889 nan 8.190 nan 0.000 0.439 282 M N 6.325 125.875 119.600 -0.083 0.000 2.055 282 M HA 0.460 4.940 4.480 -0.000 0.000 0.347 282 M C -0.515 175.754 176.300 -0.052 0.000 1.123 282 M CA -0.514 54.738 55.300 -0.081 0.000 1.035 282 M CB 0.796 33.354 32.600 -0.070 0.000 1.484 282 M HN 0.471 nan 8.290 nan 0.000 0.428 283 M N 3.814 123.380 119.600 -0.058 0.000 2.227 283 M HA 0.187 4.667 4.480 -0.000 0.000 0.349 283 M C 0.194 176.474 176.300 -0.034 0.000 1.443 283 M CA 0.221 55.503 55.300 -0.031 0.000 1.110 283 M CB 0.298 32.880 32.600 -0.030 0.000 1.773 283 M HN 0.752 nan 8.290 nan 0.000 0.463 284 A N 5.114 127.940 122.820 0.011 0.000 3.105 284 A HA 0.428 4.748 4.320 -0.000 0.000 0.297 284 A C 0.679 178.305 177.584 0.071 0.000 0.977 284 A CA -0.491 51.564 52.037 0.031 0.000 1.020 284 A CB -0.507 18.526 19.000 0.056 0.000 1.098 284 A HN 0.929 nan 8.150 nan 0.000 0.497 285 I N -3.214 117.394 120.570 0.062 0.000 3.855 285 I HA 0.606 4.776 4.170 -0.000 0.000 0.327 285 I C 0.533 176.704 176.117 0.090 0.000 1.359 285 I CA 0.285 61.638 61.300 0.087 0.000 1.142 285 I CB 0.067 38.112 38.000 0.075 0.000 1.041 285 I HN 0.423 nan 8.210 nan 0.000 0.403 286 G N 1.204 110.055 108.800 0.085 0.000 2.340 286 G HA2 0.138 4.097 3.960 -0.000 0.000 0.527 286 G HA3 0.138 4.097 3.960 -0.000 0.000 0.527 286 G C -1.358 173.584 174.900 0.069 0.000 1.381 286 G CA -1.192 43.962 45.100 0.090 0.000 1.001 286 G HN 0.298 nan 8.290 nan 0.000 0.626 287 R N -0.498 120.047 120.500 0.075 0.000 2.621 287 R HA 0.723 5.063 4.340 -0.000 0.000 0.292 287 R C 0.221 176.581 176.300 0.100 0.000 0.969 287 R CA -0.878 55.270 56.100 0.080 0.000 0.887 287 R CB 2.028 32.371 30.300 0.073 0.000 1.180 287 R HN 0.782 nan 8.270 nan 0.000 0.450 288 I N -0.992 119.658 120.570 0.132 0.000 2.603 288 I HA 0.618 4.788 4.170 -0.000 0.000 0.300 288 I C -2.554 173.652 176.117 0.149 0.000 1.017 288 I CA -3.292 58.084 61.300 0.127 0.000 1.098 288 I CB 2.053 40.126 38.000 0.121 0.000 1.279 288 I HN 0.259 nan 8.210 nan 0.000 0.437 289 P HA 0.091 nan 4.420 nan 0.000 0.265 289 P C -0.939 176.422 177.300 0.102 0.000 1.193 289 P CA -0.064 63.097 63.100 0.100 0.000 0.765 289 P CB 0.404 32.146 31.700 0.070 0.000 0.823 290 R N 2.054 122.615 120.500 0.101 0.000 2.565 290 R HA 0.194 4.534 4.340 -0.000 0.000 0.286 290 R C 0.817 177.138 176.300 0.035 0.000 1.256 290 R CA 0.110 56.251 56.100 0.068 0.000 1.238 290 R CB -0.278 30.070 30.300 0.080 0.000 1.153 290 R HN 0.556 nan 8.270 nan 0.000 0.553 291 T N -1.534 113.035 114.554 0.025 0.000 2.969 291 T HA 0.056 4.406 4.350 -0.000 0.000 0.250 291 T C 1.347 176.047 174.700 -0.000 0.000 1.021 291 T CA -0.134 61.976 62.100 0.017 0.000 1.003 291 T CB 0.157 69.038 68.868 0.020 0.000 1.040 291 T HN 0.283 nan 8.240 nan 0.000 0.492 292 N N 2.233 120.925 118.700 -0.013 0.000 2.223 292 N HA -0.095 4.645 4.740 -0.000 0.000 0.185 292 N C 0.899 176.382 175.510 -0.045 0.000 1.016 292 N CA 1.473 54.504 53.050 -0.032 0.000 0.863 292 N CB -0.159 38.300 38.487 -0.047 0.000 0.983 292 N HN 0.512 nan 8.380 nan 0.000 0.429 293 D N 0.390 120.767 120.400 -0.038 0.000 2.348 293 D HA 0.048 4.688 4.640 -0.000 0.000 0.211 293 D C 1.819 178.119 176.300 -0.000 0.000 0.998 293 D CA 0.061 54.041 54.000 -0.033 0.000 0.873 293 D CB 0.167 40.976 40.800 0.015 0.000 0.925 293 D HN 0.270 nan 8.370 nan 0.000 0.524 294 L N 0.406 121.630 121.223 0.002 0.000 2.465 294 L HA -0.059 4.281 4.340 -0.000 0.000 0.224 294 L C 0.260 177.123 176.870 -0.012 0.000 1.145 294 L CA 0.312 55.153 54.840 0.001 0.000 0.834 294 L CB -0.274 41.786 42.059 0.003 0.000 0.944 294 L HN -0.126 nan 8.230 nan 0.000 0.451 295 Q N -0.351 119.437 119.800 -0.020 0.000 2.463 295 Q HA -0.221 4.118 4.340 -0.000 0.000 0.299 295 Q C 1.102 177.089 176.000 -0.022 0.000 1.353 295 Q CA 0.586 56.374 55.803 -0.025 0.000 0.828 295 Q CB -2.124 26.597 28.738 -0.029 0.000 1.157 295 Q HN 0.524 nan 8.270 nan 0.000 0.436 296 L N -1.419 119.794 121.223 -0.017 0.000 2.127 296 L HA -0.185 4.155 4.340 -0.000 0.000 0.211 296 L C 2.281 179.140 176.870 -0.018 0.000 1.089 296 L CA 1.717 56.547 54.840 -0.016 0.000 0.757 296 L CB -0.585 41.468 42.059 -0.010 0.000 0.899 296 L HN 0.563 nan 8.230 nan 0.000 0.434 297 G N 0.131 108.921 108.800 -0.018 0.000 2.517 297 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.222 297 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.222 297 G C 1.324 176.212 174.900 -0.021 0.000 1.109 297 G CA 0.857 45.946 45.100 -0.018 0.000 0.746 297 G HN 0.371 nan 8.290 nan 0.000 0.576 298 N N -0.037 118.649 118.700 -0.023 0.000 2.289 298 N HA -0.087 4.653 4.740 -0.000 0.000 0.184 298 N C 2.060 177.554 175.510 -0.027 0.000 1.016 298 N CA 1.594 54.629 53.050 -0.025 0.000 0.872 298 N CB 0.085 38.556 38.487 -0.028 0.000 0.973 298 N HN 0.481 nan 8.380 nan 0.000 0.433 299 V N -5.915 113.982 119.914 -0.027 0.000 3.398 299 V HA 0.555 4.675 4.120 -0.000 0.000 0.298 299 V C 1.047 177.124 176.094 -0.028 0.000 1.496 299 V CA 0.203 62.485 62.300 -0.031 0.000 1.044 299 V CB 0.224 32.023 31.823 -0.039 0.000 0.880 299 V HN 0.123 nan 8.190 nan 0.000 0.443 300 G N 0.982 109.769 108.800 -0.023 0.000 2.147 300 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.244 300 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.244 300 G C 0.081 174.971 174.900 -0.018 0.000 1.005 300 G CA 0.085 45.174 45.100 -0.019 0.000 0.713 300 G HN 0.872 nan 8.290 nan 0.000 0.515 301 V N 1.044 120.947 119.914 -0.020 0.000 2.493 301 V HA 0.143 4.263 4.120 -0.000 0.000 0.292 301 V C 1.191 177.281 176.094 -0.006 0.000 1.016 301 V CA 0.520 62.810 62.300 -0.016 0.000 1.097 301 V CB 0.805 32.618 31.823 -0.017 0.000 0.947 301 V HN 0.380 nan 8.190 nan 0.000 0.479 302 K N 5.246 125.645 120.400 -0.002 0.000 2.270 302 K HA 0.492 4.812 4.320 -0.000 0.000 0.276 302 K C -0.511 176.095 176.600 0.009 0.000 1.023 302 K CA -0.340 55.949 56.287 0.004 0.000 0.955 302 K CB 0.819 33.323 32.500 0.006 0.000 0.975 302 K HN 0.509 nan 8.250 nan 0.000 0.471 303 L N 1.978 123.207 121.223 0.009 0.000 2.344 303 L HA 0.282 4.622 4.340 -0.000 0.000 0.272 303 L C 0.947 177.825 176.870 0.013 0.000 1.035 303 L CA -0.910 53.938 54.840 0.013 0.000 0.807 303 L CB 1.481 43.548 42.059 0.013 0.000 1.237 303 L HN 0.781 nan 8.230 nan 0.000 0.442 304 T N -1.694 112.869 114.554 0.015 0.000 2.748 304 T HA 0.126 4.476 4.350 -0.000 0.000 0.304 304 T C -1.806 172.902 174.700 0.014 0.000 1.041 304 T CA -1.162 60.946 62.100 0.013 0.000 1.033 304 T CB 0.544 69.419 68.868 0.012 0.000 0.995 304 T HN 0.405 nan 8.240 nan 0.000 0.536 305 P HA -0.007 nan 4.420 nan 0.000 0.218 305 P C 1.261 178.571 177.300 0.017 0.000 1.149 305 P CA 0.836 63.944 63.100 0.014 0.000 0.817 305 P CB 0.076 31.784 31.700 0.012 0.000 0.785 306 K N -1.316 119.096 120.400 0.019 0.000 2.525 306 K HA 0.144 4.464 4.320 -0.000 0.000 0.192 306 K C 1.417 178.034 176.600 0.029 0.000 1.029 306 K CA 0.921 57.223 56.287 0.024 0.000 1.029 306 K CB -0.745 31.769 32.500 0.024 0.000 0.814 306 K HN 0.256 nan 8.250 nan 0.000 0.503 307 G N 0.795 109.611 108.800 0.026 0.000 2.176 307 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.253 307 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.253 307 G C 0.505 175.424 174.900 0.032 0.000 0.979 307 G CA 0.067 45.184 45.100 0.030 0.000 0.641 307 G HN 0.528 nan 8.290 nan 0.000 0.530 308 G N -0.583 108.235 108.800 0.029 0.000 2.527 308 G HA2 0.552 4.512 3.960 -0.000 0.000 0.248 308 G HA3 0.552 4.512 3.960 -0.000 0.000 0.248 308 G C 0.438 175.354 174.900 0.027 0.000 1.231 308 G CA 0.196 45.314 45.100 0.030 0.000 0.838 308 G HN 0.922 nan 8.290 nan 0.000 0.570 309 V N 1.665 121.597 119.914 0.031 0.000 2.529 309 V HA 0.017 4.137 4.120 -0.000 0.000 0.292 309 V C 0.843 176.955 176.094 0.030 0.000 1.028 309 V CA 0.202 62.520 62.300 0.030 0.000 1.074 309 V CB 1.008 32.853 31.823 0.036 0.000 0.958 309 V HN 0.833 nan 8.190 nan 0.000 0.481 310 Q N 4.487 124.302 119.800 0.026 0.000 2.296 310 Q HA 0.491 4.831 4.340 -0.000 0.000 0.262 310 Q C -0.696 175.327 176.000 0.039 0.000 0.981 310 Q CA -0.361 55.457 55.803 0.026 0.000 0.905 310 Q CB 1.280 30.030 28.738 0.021 0.000 1.186 310 Q HN 0.750 nan 8.270 nan 0.000 0.399 311 V N 0.745 120.685 119.914 0.044 0.000 2.962 311 V HA 0.513 4.632 4.120 -0.000 0.000 0.313 311 V C -0.561 175.575 176.094 0.070 0.000 1.099 311 V CA -1.140 61.202 62.300 0.070 0.000 0.971 311 V CB 1.732 33.606 31.823 0.085 0.000 1.028 311 V HN 0.948 nan 8.190 nan 0.000 0.430 312 D N 0.931 121.394 120.400 0.105 0.000 2.398 312 D HA 0.164 4.804 4.640 -0.000 0.000 0.264 312 D C 0.782 177.142 176.300 0.100 0.000 1.263 312 D CA 0.011 54.080 54.000 0.116 0.000 1.037 312 D CB 0.401 41.305 40.800 0.174 0.000 1.101 312 D HN 0.693 nan 8.370 nan 0.000 0.551 313 E N -1.459 118.779 120.200 0.065 0.000 2.268 313 E HA -0.052 4.298 4.350 -0.000 0.000 0.195 313 E C 0.996 177.467 176.600 -0.215 0.000 0.995 313 E CA 0.614 56.952 56.400 -0.104 0.000 0.836 313 E CB -0.314 29.230 29.700 -0.259 0.000 0.763 313 E HN 0.408 nan 8.360 nan 0.000 0.491 314 F N 0.081 120.059 119.950 0.046 0.000 2.660 314 F HA 0.170 4.697 4.527 -0.000 0.000 0.302 314 F C 0.621 176.442 175.800 0.035 0.000 1.103 314 F CA -0.104 57.910 58.000 0.024 0.000 1.340 314 F CB 0.393 39.389 39.000 -0.007 0.000 1.048 314 F HN -0.230 nan 8.300 nan 0.000 0.551 315 S N -0.271 115.548 115.700 0.199 0.000 3.482 315 S HA -0.208 4.262 4.470 -0.000 0.000 0.294 315 S C 0.340 175.094 174.600 0.257 0.000 1.244 315 S CA 0.108 58.417 58.200 0.181 0.000 0.911 315 S CB -1.513 61.778 63.200 0.151 0.000 1.070 315 S HN 0.459 nan 8.310 nan 0.000 0.614 316 R N 2.252 122.915 120.500 0.271 0.000 2.340 316 R HA 0.412 4.752 4.340 -0.000 0.000 0.300 316 R C 1.188 177.585 176.300 0.161 0.000 1.069 316 R CA 0.361 56.639 56.100 0.297 0.000 0.984 316 R CB 0.510 30.962 30.300 0.254 0.000 1.003 316 R HN 0.530 nan 8.270 nan 0.000 0.459 317 T N -1.349 113.262 114.554 0.095 0.000 2.793 317 T HA 0.001 4.351 4.350 -0.000 0.000 0.299 317 T C 1.181 175.895 174.700 0.023 0.000 1.038 317 T CA -0.345 61.779 62.100 0.039 0.000 0.948 317 T CB 0.353 69.219 68.868 -0.003 0.000 1.231 317 T HN 0.745 nan 8.240 nan 0.000 0.538 318 N N -1.011 117.693 118.700 0.007 0.000 2.512 318 N HA 0.047 4.787 4.740 -0.000 0.000 0.183 318 N C -0.145 175.356 175.510 -0.016 0.000 1.073 318 N CA -0.083 52.968 53.050 0.002 0.000 0.911 318 N CB -0.070 38.418 38.487 0.001 0.000 0.964 318 N HN 0.287 nan 8.380 nan 0.000 0.447 319 V N 2.122 122.012 119.914 -0.040 0.000 2.347 319 V HA 0.342 4.462 4.120 -0.000 0.000 0.280 319 V C -2.137 173.897 176.094 -0.101 0.000 1.021 319 V CA -2.137 60.124 62.300 -0.065 0.000 0.847 319 V CB 1.223 33.002 31.823 -0.073 0.000 0.990 319 V HN 0.079 nan 8.190 nan 0.000 0.444 320 P HA 0.071 nan 4.420 nan 0.000 0.265 320 P C 0.504 177.709 177.300 -0.159 0.000 1.187 320 P CA 0.571 63.626 63.100 -0.075 0.000 0.766 320 P CB 0.156 31.831 31.700 -0.042 0.000 0.820 321 N N 0.655 119.233 118.700 -0.203 0.000 2.828 321 N HA -0.206 4.534 4.740 -0.000 0.000 0.248 321 N C -1.096 173.976 175.510 -0.729 0.000 1.044 321 N CA 1.279 54.134 53.050 -0.326 0.000 0.851 321 N CB -2.406 35.962 38.487 -0.199 0.000 1.136 321 N HN 0.435 nan 8.380 nan 0.000 0.572 322 I N 0.634 120.728 120.570 -0.793 0.000 2.389 322 I HA 0.426 4.596 4.170 -0.000 0.000 0.288 322 I C -0.529 175.141 176.117 -0.745 0.000 0.999 322 I CA -0.965 59.942 61.300 -0.654 0.000 1.129 322 I CB 0.764 38.603 38.000 -0.268 0.000 1.288 322 I HN -0.031 nan 8.210 nan 0.000 0.444 323 Y N 4.133 124.471 120.300 0.065 0.000 2.630 323 Y HA 0.837 5.387 4.550 -0.000 0.000 0.337 323 Y C 0.141 176.078 175.900 0.062 0.000 1.051 323 Y CA -1.311 56.827 58.100 0.063 0.000 1.121 323 Y CB 1.676 40.175 38.460 0.065 0.000 1.299 323 Y HN 0.551 nan 8.280 nan 0.000 0.498 324 A N 1.640 124.591 122.820 0.218 0.000 2.427 324 A HA 0.859 5.179 4.320 -0.000 0.000 0.298 324 A C -1.272 176.395 177.584 0.138 0.000 1.036 324 A CA -0.575 51.548 52.037 0.143 0.000 0.701 324 A CB 0.773 19.830 19.000 0.095 0.000 1.250 324 A HN 0.791 nan 8.150 nan 0.000 0.412 325 I N -0.889 119.754 120.570 0.122 0.000 3.095 325 I HA 0.973 5.143 4.170 -0.000 0.000 0.310 325 I C 0.485 176.660 176.117 0.097 0.000 1.196 325 I CA -0.143 61.225 61.300 0.113 0.000 0.985 325 I CB 1.966 40.035 38.000 0.116 0.000 1.250 325 I HN 2.039 nan 8.210 nan 0.000 0.446 326 G N 2.459 111.317 108.800 0.096 0.000 2.632 326 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.224 326 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.224 326 G C -0.068 174.877 174.900 0.075 0.000 1.341 326 G CA 0.448 45.599 45.100 0.085 0.000 0.880 326 G HN 0.835 nan 8.290 nan 0.000 0.566 327 D N -0.299 120.144 120.400 0.071 0.000 2.265 327 D HA -0.058 4.582 4.640 -0.000 0.000 0.208 327 D C 2.265 178.605 176.300 0.067 0.000 0.977 327 D CA 0.995 55.034 54.000 0.065 0.000 0.871 327 D CB -0.047 40.797 40.800 0.074 0.000 0.925 327 D HN 0.452 nan 8.370 nan 0.000 0.485 328 I N 1.005 121.617 120.570 0.071 0.000 2.756 328 I HA -0.200 3.970 4.170 -0.000 0.000 0.262 328 I C 1.709 177.859 176.117 0.054 0.000 1.225 328 I CA 1.218 62.558 61.300 0.066 0.000 1.472 328 I CB -0.022 38.017 38.000 0.065 0.000 1.094 328 I HN 0.051 nan 8.210 nan 0.000 0.454 329 T N -3.208 111.377 114.554 0.051 0.000 3.088 329 T HA -0.059 4.291 4.350 -0.000 0.000 0.259 329 T C 1.047 175.755 174.700 0.014 0.000 1.122 329 T CA 0.613 62.734 62.100 0.034 0.000 1.095 329 T CB -0.161 68.729 68.868 0.037 0.000 0.930 329 T HN 0.403 nan 8.240 nan 0.000 0.508 330 D N 0.685 121.098 120.400 0.021 0.000 2.837 330 D HA -0.177 4.463 4.640 -0.000 0.000 0.230 330 D C 0.896 177.185 176.300 -0.019 0.000 1.152 330 D CA 0.732 54.740 54.000 0.013 0.000 0.736 330 D CB -1.137 39.675 40.800 0.019 0.000 1.084 330 D HN 0.596 nan 8.370 nan 0.000 0.429 331 R N -0.781 119.691 120.500 -0.047 0.000 2.024 331 R HA 0.379 4.719 4.340 -0.000 0.000 0.216 331 R C 0.518 176.772 176.300 -0.077 0.000 1.259 331 R CA 0.407 56.425 56.100 -0.137 0.000 1.001 331 R CB 0.326 30.428 30.300 -0.330 0.000 0.881 331 R HN 0.128 nan 8.270 nan 0.000 0.459 332 L N 1.735 122.959 121.223 0.001 0.000 2.404 332 L HA 0.417 4.757 4.340 -0.000 0.000 0.272 332 L C -0.648 176.245 176.870 0.039 0.000 0.980 332 L CA -0.360 54.508 54.840 0.046 0.000 0.836 332 L CB 2.257 44.386 42.059 0.117 0.000 1.238 332 L HN 0.207 nan 8.230 nan 0.000 0.408 333 M N 5.934 125.534 119.600 0.000 0.000 3.213 333 M HA 0.376 4.856 4.480 -0.000 0.000 0.275 333 M C -0.966 175.301 176.300 -0.055 0.000 1.424 333 M CA 0.323 55.614 55.300 -0.015 0.000 1.561 333 M CB -0.301 32.286 32.600 -0.022 0.000 1.109 333 M HN 0.416 nan 8.290 nan 0.000 0.552 334 L N -0.280 120.938 121.223 -0.009 0.000 2.409 334 L HA 0.406 4.746 4.340 -0.000 0.000 0.262 334 L C 1.154 178.042 176.870 0.029 0.000 0.992 334 L CA -0.553 54.283 54.840 -0.007 0.000 0.817 334 L CB 2.287 44.352 42.059 0.010 0.000 1.350 334 L HN 0.250 nan 8.230 nan 0.000 0.411 335 T N 0.845 115.421 114.554 0.036 0.000 2.746 335 T HA -0.047 4.303 4.350 -0.000 0.000 0.267 335 T C -1.171 173.558 174.700 0.047 0.000 1.039 335 T CA 1.727 63.854 62.100 0.045 0.000 1.142 335 T CB -0.416 68.480 68.868 0.046 0.000 0.866 335 T HN 0.455 nan 8.240 nan 0.000 0.444 336 P HA 0.068 nan 4.420 nan 0.000 0.223 336 P C 1.471 178.793 177.300 0.035 0.000 1.151 336 P CA 0.390 63.515 63.100 0.043 0.000 0.787 336 P CB -0.105 31.622 31.700 0.045 0.000 0.788 337 V N 0.431 120.370 119.914 0.041 0.000 2.307 337 V HA -0.229 3.891 4.120 -0.000 0.000 0.245 337 V C 2.494 178.622 176.094 0.058 0.000 1.045 337 V CA 2.246 64.572 62.300 0.043 0.000 1.024 337 V CB -1.687 30.184 31.823 0.080 0.000 0.651 337 V HN 0.101 nan 8.190 nan 0.000 0.449 338 A N -0.031 122.828 122.820 0.065 0.000 1.902 338 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 338 A C 2.196 179.820 177.584 0.068 0.000 1.181 338 A CA 1.905 53.985 52.037 0.072 0.000 0.623 338 A CB -0.561 18.479 19.000 0.067 0.000 0.818 338 A HN 0.492 nan 8.150 nan 0.000 0.443 339 I N 0.028 120.633 120.570 0.058 0.000 2.163 339 I HA -0.302 3.868 4.170 -0.000 0.000 0.243 339 I C 2.582 178.733 176.117 0.057 0.000 1.085 339 I CA 1.652 62.988 61.300 0.060 0.000 1.347 339 I CB -0.461 37.569 38.000 0.050 0.000 1.044 339 I HN 0.488 nan 8.210 nan 0.000 0.408 340 N N 1.047 119.769 118.700 0.037 0.000 2.120 340 N HA -0.218 4.522 4.740 -0.000 0.000 0.188 340 N C 1.741 177.264 175.510 0.021 0.000 1.024 340 N CA 1.645 54.706 53.050 0.018 0.000 0.852 340 N CB 0.021 38.497 38.487 -0.019 0.000 1.003 340 N HN 0.433 nan 8.380 nan 0.000 0.424 341 E N -0.447 119.773 120.200 0.033 0.000 2.077 341 E HA -0.108 4.242 4.350 -0.000 0.000 0.193 341 E C 1.967 178.609 176.600 0.070 0.000 0.989 341 E CA 1.105 57.538 56.400 0.055 0.000 0.800 341 E CB -0.320 29.438 29.700 0.096 0.000 0.746 341 E HN 0.464 nan 8.360 nan 0.000 0.452 342 G N 1.036 109.886 108.800 0.082 0.000 2.402 342 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.216 342 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.216 342 G C 1.689 176.651 174.900 0.104 0.000 1.162 342 G CA 0.775 45.934 45.100 0.098 0.000 0.777 342 G HN 0.346 nan 8.290 nan 0.000 0.539 343 A N 1.211 124.092 122.820 0.101 0.000 1.902 343 A HA 0.255 4.575 4.320 -0.000 0.000 0.217 343 A C 2.813 180.456 177.584 0.099 0.000 1.181 343 A CA 2.303 54.409 52.037 0.115 0.000 0.623 343 A CB -0.803 18.259 19.000 0.102 0.000 0.818 343 A HN 0.761 nan 8.150 nan 0.000 0.443 344 A N -0.482 122.378 122.820 0.067 0.000 1.877 344 A HA -0.030 4.289 4.320 -0.000 0.000 0.216 344 A C 2.170 179.780 177.584 0.043 0.000 1.186 344 A CA 1.693 53.763 52.037 0.055 0.000 0.620 344 A CB -0.673 18.344 19.000 0.028 0.000 0.822 344 A HN 0.720 nan 8.150 nan 0.000 0.443 345 L N -0.209 121.031 121.223 0.027 0.000 2.017 345 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 345 L C 2.377 179.170 176.870 -0.127 0.000 1.073 345 L CA 1.922 56.730 54.840 -0.054 0.000 0.745 345 L CB -0.402 41.631 42.059 -0.042 0.000 0.894 345 L HN 0.144 nan 8.230 nan 0.000 0.432 346 V N -0.078 119.833 119.914 -0.004 0.000 2.343 346 V HA -0.282 3.838 4.120 -0.000 0.000 0.247 346 V C 2.254 178.331 176.094 -0.030 0.000 1.051 346 V CA 1.939 64.279 62.300 0.067 0.000 1.036 346 V CB -0.765 31.208 31.823 0.249 0.000 0.654 346 V HN 0.490 nan 8.190 nan 0.000 0.451 347 D N -0.089 120.333 120.400 0.037 0.000 2.123 347 D HA -0.154 4.486 4.640 -0.000 0.000 0.196 347 D C 2.274 178.484 176.300 -0.150 0.000 0.992 347 D CA 1.989 55.979 54.000 -0.016 0.000 0.833 347 D CB -0.412 40.441 40.800 0.087 0.000 0.954 347 D HN 0.411 nan 8.370 nan 0.000 0.455 348 T N 0.095 114.566 114.554 -0.139 0.000 2.777 348 T HA -0.056 4.294 4.350 -0.000 0.000 0.266 348 T C 2.198 176.680 174.700 -0.363 0.000 1.040 348 T CA 0.689 62.672 62.100 -0.195 0.000 1.141 348 T CB -0.122 68.674 68.868 -0.121 0.000 0.868 348 T HN -0.012 nan 8.240 nan 0.000 0.444 349 V N -0.071 119.515 119.914 -0.546 0.000 2.446 349 V HA 0.085 4.205 4.120 -0.000 0.000 0.244 349 V C 1.668 177.170 176.094 -0.987 0.000 1.039 349 V CA 1.345 63.120 62.300 -0.874 0.000 1.045 349 V CB -0.400 30.641 31.823 -1.304 0.000 0.681 349 V HN 0.396 nan 8.190 nan 0.000 0.459 350 F N -0.034 119.646 119.950 -0.451 0.000 2.727 350 F HA 0.507 5.034 4.527 -0.000 0.000 0.302 350 F C 1.492 176.794 175.800 -0.830 0.000 1.107 350 F CA -0.042 57.635 58.000 -0.537 0.000 1.277 350 F CB -0.515 38.207 39.000 -0.463 0.000 1.079 350 F HN 0.129 nan 8.300 nan 0.000 0.594 351 G N -0.259 108.080 108.800 -0.768 0.000 2.532 351 G HA2 0.165 4.125 3.960 -0.000 0.000 0.291 351 G HA3 0.165 4.125 3.960 -0.000 0.000 0.291 351 G C 0.365 175.111 174.900 -0.256 0.000 1.349 351 G CA -0.421 44.279 45.100 -0.665 0.000 1.038 351 G HN 0.020 nan 8.290 nan 0.000 0.518 352 N N -0.467 118.173 118.700 -0.099 0.000 2.214 352 N HA 0.117 4.857 4.740 -0.000 0.000 0.214 352 N C -0.342 175.142 175.510 -0.044 0.000 1.132 352 N CA 0.237 53.253 53.050 -0.057 0.000 0.856 352 N CB 0.790 39.276 38.487 -0.002 0.000 1.020 352 N HN 0.405 nan 8.380 nan 0.000 0.509 353 K N 1.193 121.563 120.400 -0.051 0.000 2.814 353 K HA 0.279 4.599 4.320 -0.000 0.000 0.205 353 K C -2.826 173.771 176.600 -0.004 0.000 1.093 353 K CA -1.349 54.934 56.287 -0.007 0.000 1.035 353 K CB 1.908 34.430 32.500 0.036 0.000 1.220 353 K HN -0.135 nan 8.250 nan 0.000 0.576 354 P HA -0.011 nan 4.420 nan 0.000 0.261 354 P C -0.635 176.792 177.300 0.212 0.000 1.183 354 P CA 0.323 63.435 63.100 0.020 0.000 0.761 354 P CB 0.477 32.122 31.700 -0.092 0.000 0.785 355 R N 2.236 122.932 120.500 0.326 0.000 2.604 355 R HA 0.376 4.716 4.340 -0.000 0.000 0.270 355 R C -0.703 175.677 176.300 0.133 0.000 1.052 355 R CA -0.821 55.407 56.100 0.213 0.000 0.902 355 R CB 1.835 32.196 30.300 0.102 0.000 1.233 355 R HN 0.417 nan 8.270 nan 0.000 0.455 356 K N 1.161 121.491 120.400 -0.116 0.000 2.318 356 K HA 0.483 4.803 4.320 -0.000 0.000 0.249 356 K C -0.949 175.543 176.600 -0.181 0.000 0.942 356 K CA -0.906 55.206 56.287 -0.290 0.000 0.808 356 K CB 2.120 34.210 32.500 -0.682 0.000 1.189 356 K HN 0.277 nan 8.250 nan 0.000 0.428 357 T N 1.664 116.114 114.554 -0.174 0.000 2.901 357 T HA -0.013 4.337 4.350 -0.000 0.000 0.301 357 T C -0.534 173.958 174.700 -0.347 0.000 1.012 357 T CA 0.102 62.045 62.100 -0.262 0.000 1.135 357 T CB 0.497 69.160 68.868 -0.341 0.000 0.936 357 T HN 0.564 nan 8.240 nan 0.000 0.539 358 D N 1.027 121.253 120.400 -0.290 0.000 2.347 358 D HA 0.152 4.792 4.640 -0.000 0.000 0.235 358 D C 0.368 176.516 176.300 -0.254 0.000 1.149 358 D CA -0.460 53.425 54.000 -0.191 0.000 0.850 358 D CB 0.503 41.246 40.800 -0.096 0.000 1.061 358 D HN 0.543 nan 8.370 nan 0.000 0.487 359 H N 1.072 120.130 119.070 -0.020 0.000 2.533 359 H HA 0.150 4.706 4.556 -0.000 0.000 0.271 359 H C 0.549 175.877 175.328 -0.001 0.000 1.000 359 H CA 0.336 56.379 56.048 -0.008 0.000 1.149 359 H CB 0.244 30.000 29.762 -0.009 0.000 1.375 359 H HN 0.320 nan 8.280 nan 0.000 0.582 360 T N -1.908 112.688 114.554 0.070 0.000 2.943 360 T HA 0.379 4.729 4.350 -0.000 0.000 0.284 360 T C 0.482 175.200 174.700 0.032 0.000 1.015 360 T CA -1.103 61.031 62.100 0.056 0.000 1.042 360 T CB 1.695 70.594 68.868 0.050 0.000 1.055 360 T HN 0.275 nan 8.240 nan 0.000 0.500 361 R N -0.717 119.802 120.500 0.031 0.000 3.627 361 R HA -0.096 4.244 4.340 -0.000 0.000 0.281 361 R C -0.397 175.913 176.300 0.016 0.000 1.140 361 R CA 0.522 56.633 56.100 0.020 0.000 0.761 361 R CB -2.710 27.600 30.300 0.017 0.000 1.181 361 R HN 0.558 nan 8.270 nan 0.000 0.472 362 V N 0.901 120.829 119.914 0.023 0.000 2.432 362 V HA 0.495 4.615 4.120 -0.000 0.000 0.271 362 V C 1.164 177.279 176.094 0.033 0.000 1.046 362 V CA -0.116 62.199 62.300 0.025 0.000 0.945 362 V CB 1.357 33.200 31.823 0.034 0.000 0.992 362 V HN 0.417 nan 8.190 nan 0.000 0.471 363 A N 5.150 127.990 122.820 0.035 0.000 2.440 363 A HA 0.681 5.001 4.320 -0.000 0.000 0.251 363 A C 0.516 178.140 177.584 0.067 0.000 1.089 363 A CA 0.271 52.334 52.037 0.043 0.000 0.779 363 A CB 0.303 19.327 19.000 0.041 0.000 1.022 363 A HN 1.167 nan 8.150 nan 0.000 0.492 364 S N 0.245 115.997 115.700 0.086 0.000 2.671 364 S HA 0.900 5.370 4.470 -0.000 0.000 0.277 364 S C -0.568 174.095 174.600 0.105 0.000 1.165 364 S CA -0.174 58.101 58.200 0.125 0.000 0.822 364 S CB 1.462 64.776 63.200 0.190 0.000 1.150 364 S HN 2.243 nan 8.310 nan 0.000 0.479 365 A N 0.193 123.056 122.820 0.072 0.000 2.498 365 A HA 0.812 5.132 4.320 -0.000 0.000 0.298 365 A C -1.354 176.145 177.584 -0.140 0.000 1.075 365 A CA -0.818 51.111 52.037 -0.180 0.000 0.714 365 A CB 1.709 20.346 19.000 -0.605 0.000 1.299 365 A HN 1.198 nan 8.150 nan 0.000 0.407 366 V N 1.342 121.066 119.914 -0.316 0.000 2.357 366 V HA 0.325 4.445 4.120 -0.000 0.000 0.284 366 V C -0.873 174.977 176.094 -0.408 0.000 1.018 366 V CA -0.096 62.032 62.300 -0.286 0.000 0.841 366 V CB 0.788 32.310 31.823 -0.502 0.000 0.991 366 V HN 0.720 nan 8.190 nan 0.000 0.437 367 F N 3.192 123.152 119.950 0.018 0.000 2.705 367 F HA 0.200 4.727 4.527 -0.000 0.000 0.355 367 F C 1.494 177.250 175.800 -0.073 0.000 1.172 367 F CA -0.251 57.734 58.000 -0.026 0.000 1.332 367 F CB -0.436 38.556 39.000 -0.014 0.000 1.621 367 F HN 0.545 nan 8.300 nan 0.000 0.605 368 S N -0.240 115.429 115.700 -0.052 0.000 2.634 368 S HA 0.614 5.084 4.470 -0.000 0.000 0.261 368 S C -0.192 174.378 174.600 -0.050 0.000 1.271 368 S CA -0.736 57.420 58.200 -0.074 0.000 0.985 368 S CB 1.470 64.575 63.200 -0.158 0.000 0.968 368 S HN 0.255 nan 8.310 nan 0.000 0.568 369 I N 2.462 123.001 120.570 -0.053 0.000 2.405 369 I HA 0.334 4.504 4.170 -0.000 0.000 0.280 369 I C -2.194 173.898 176.117 -0.043 0.000 1.027 369 I CA -2.097 59.177 61.300 -0.043 0.000 1.161 369 I CB 1.580 39.558 38.000 -0.037 0.000 1.300 369 I HN 0.503 nan 8.210 nan 0.000 0.463 370 P HA 0.360 nan 4.420 nan 0.000 0.276 370 P C -2.781 174.453 177.300 -0.111 0.000 1.244 370 P CA -1.661 61.395 63.100 -0.073 0.000 0.801 370 P CB 0.485 32.132 31.700 -0.089 0.000 1.006 371 P HA 0.396 nan 4.420 nan 0.000 0.278 371 P C -0.367 176.803 177.300 -0.216 0.000 1.258 371 P CA -0.331 62.678 63.100 -0.153 0.000 0.811 371 P CB 1.047 32.688 31.700 -0.098 0.000 1.063 372 I N -0.022 120.386 120.570 -0.270 0.000 2.493 372 I HA 0.600 4.770 4.170 -0.000 0.000 0.298 372 I C 0.595 176.603 176.117 -0.181 0.000 0.998 372 I CA -0.495 60.658 61.300 -0.244 0.000 1.137 372 I CB 2.100 39.909 38.000 -0.318 0.000 1.310 372 I HN 0.380 nan 8.210 nan 0.000 0.445 373 G N 2.254 110.999 108.800 -0.092 0.000 2.643 373 G HA2 0.614 4.574 3.960 -0.000 0.000 0.305 373 G HA3 0.614 4.574 3.960 -0.000 0.000 0.305 373 G C -1.267 173.654 174.900 0.036 0.000 1.387 373 G CA -0.351 44.732 45.100 -0.029 0.000 0.982 373 G HN 0.489 nan 8.290 nan 0.000 0.501 374 T N -0.804 113.792 114.554 0.071 0.000 2.932 374 T HA 0.551 4.901 4.350 -0.000 0.000 0.318 374 T C -1.619 173.091 174.700 0.017 0.000 1.265 374 T CA -0.485 61.657 62.100 0.070 0.000 1.036 374 T CB 1.582 70.585 68.868 0.225 0.000 1.209 374 T HN 1.217 nan 8.240 nan 0.000 0.484 375 C N 3.627 122.882 119.300 -0.075 0.000 2.705 375 C HA 0.840 5.300 4.460 -0.000 0.000 0.369 375 C C 0.665 175.595 174.990 -0.099 0.000 1.069 375 C CA 1.124 60.111 59.018 -0.052 0.000 1.260 375 C CB -0.274 27.447 27.740 -0.031 0.000 1.764 375 C HN 1.763 nan 8.230 nan 0.000 0.469 376 G N 4.725 113.508 108.800 -0.027 0.000 2.512 376 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.210 376 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.210 376 G C -1.167 173.774 174.900 0.067 0.000 1.295 376 G CA -0.351 44.748 45.100 -0.002 0.000 0.934 376 G HN 1.040 nan 8.290 nan 0.000 0.554 377 L N 1.428 122.704 121.223 0.089 0.000 2.326 377 L HA 0.545 4.885 4.340 -0.000 0.000 0.278 377 L C 1.470 178.471 176.870 0.218 0.000 1.092 377 L CA -0.827 54.087 54.840 0.124 0.000 0.810 377 L CB 1.137 43.257 42.059 0.101 0.000 1.153 377 L HN 0.714 nan 8.230 nan 0.000 0.439 378 I N -0.486 120.132 120.570 0.081 0.000 2.779 378 I HA 0.053 4.223 4.170 -0.000 0.000 0.285 378 I C 1.412 177.501 176.117 -0.047 0.000 1.134 378 I CA -0.487 60.758 61.300 -0.092 0.000 1.398 378 I CB 0.699 38.574 38.000 -0.209 0.000 1.404 378 I HN 0.855 nan 8.210 nan 0.000 0.587 379 E N 3.725 123.883 120.200 -0.070 0.000 2.097 379 E HA -0.295 4.055 4.350 -0.000 0.000 0.196 379 E C 1.317 177.723 176.600 -0.323 0.000 1.000 379 E CA 1.857 58.182 56.400 -0.125 0.000 0.804 379 E CB -0.412 29.293 29.700 0.009 0.000 0.740 379 E HN 0.865 nan 8.360 nan 0.000 0.454 380 E N 1.493 121.544 120.200 -0.248 0.000 2.152 380 E HA -0.107 4.243 4.350 -0.000 0.000 0.192 380 E C 2.373 178.879 176.600 -0.156 0.000 0.983 380 E CA 1.091 57.334 56.400 -0.263 0.000 0.818 380 E CB -0.494 29.135 29.700 -0.118 0.000 0.758 380 E HN 0.295 nan 8.360 nan 0.000 0.467 381 V N 2.274 122.135 119.914 -0.088 0.000 2.307 381 V HA -0.214 3.906 4.120 -0.000 0.000 0.245 381 V C 2.746 178.846 176.094 0.010 0.000 1.045 381 V CA 1.853 64.134 62.300 -0.031 0.000 1.024 381 V CB -0.935 30.885 31.823 -0.006 0.000 0.651 381 V HN 0.405 nan 8.190 nan 0.000 0.449 382 A N 0.211 123.049 122.820 0.029 0.000 1.917 382 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 382 A C 2.373 180.063 177.584 0.178 0.000 1.182 382 A CA 2.380 54.515 52.037 0.163 0.000 0.633 382 A CB -0.831 18.222 19.000 0.088 0.000 0.819 382 A HN 0.611 nan 8.150 nan 0.000 0.448 383 A N -0.812 121.988 122.820 -0.034 0.000 2.067 383 A HA -0.067 4.253 4.320 -0.000 0.000 0.219 383 A C 2.031 179.635 177.584 0.033 0.000 1.158 383 A CA 1.532 53.553 52.037 -0.026 0.000 0.661 383 A CB -0.329 18.480 19.000 -0.319 0.000 0.801 383 A HN 0.559 nan 8.150 nan 0.000 0.452 384 K N -0.185 120.216 120.400 0.002 0.000 2.217 384 K HA -0.119 4.200 4.320 -0.000 0.000 0.202 384 K C 1.336 177.921 176.600 -0.025 0.000 1.051 384 K CA 1.478 57.765 56.287 0.000 0.000 0.952 384 K CB -0.009 32.483 32.500 -0.013 0.000 0.736 384 K HN 0.850 nan 8.250 nan 0.000 0.453 385 E N -0.788 119.386 120.200 -0.043 0.000 2.526 385 E HA 0.107 4.457 4.350 -0.000 0.000 0.208 385 E C -0.422 175.881 176.600 -0.494 0.000 0.997 385 E CA -0.244 56.000 56.400 -0.259 0.000 0.961 385 E CB 0.326 29.807 29.700 -0.364 0.000 1.030 385 E HN -0.027 nan 8.360 nan 0.000 0.483 386 F N 1.242 121.213 119.950 0.034 0.000 2.540 386 F HA 0.267 4.794 4.527 -0.000 0.000 0.317 386 F C 1.302 177.145 175.800 0.072 0.000 1.104 386 F CA -1.087 56.945 58.000 0.054 0.000 0.913 386 F CB 2.160 41.200 39.000 0.067 0.000 1.170 386 F HN -0.153 nan 8.300 nan 0.000 0.450 387 E N 1.759 122.098 120.200 0.232 0.000 2.110 387 E HA -0.097 4.253 4.350 -0.000 0.000 0.193 387 E C -0.171 176.552 176.600 0.205 0.000 0.988 387 E CA 1.258 57.760 56.400 0.171 0.000 0.804 387 E CB 0.321 30.098 29.700 0.127 0.000 0.745 387 E HN 0.477 nan 8.360 nan 0.000 0.458 388 K N 0.436 120.988 120.400 0.253 0.000 2.613 388 K HA 0.343 4.663 4.320 -0.000 0.000 0.248 388 K C -1.721 175.058 176.600 0.299 0.000 0.959 388 K CA -0.513 55.931 56.287 0.261 0.000 0.855 388 K CB 2.559 35.206 32.500 0.245 0.000 1.143 388 K HN -0.143 nan 8.250 nan 0.000 0.437 389 V N 2.071 122.176 119.914 0.318 0.000 2.555 389 V HA 0.682 4.802 4.120 -0.000 0.000 0.302 389 V C -0.446 175.817 176.094 0.281 0.000 1.038 389 V CA -0.940 61.523 62.300 0.271 0.000 0.887 389 V CB 1.707 33.681 31.823 0.251 0.000 0.991 389 V HN 0.848 nan 8.190 nan 0.000 0.434 390 A N 4.205 127.127 122.820 0.170 0.000 2.317 390 A HA 0.836 5.156 4.320 -0.000 0.000 0.327 390 A C -0.734 176.711 177.584 -0.232 0.000 1.178 390 A CA -0.522 51.419 52.037 -0.161 0.000 0.817 390 A CB 1.355 20.248 19.000 -0.178 0.000 1.189 390 A HN 0.673 nan 8.150 nan 0.000 0.489 391 V N 2.831 122.404 119.914 -0.568 0.000 2.398 391 V HA 0.315 4.435 4.120 -0.000 0.000 0.286 391 V C -1.175 174.534 176.094 -0.642 0.000 1.026 391 V CA -0.257 61.724 62.300 -0.532 0.000 0.868 391 V CB 0.639 31.992 31.823 -0.783 0.000 0.982 391 V HN 0.757 nan 8.190 nan 0.000 0.443 392 Y N 5.129 125.265 120.300 -0.273 0.000 2.369 392 Y HA 0.667 5.217 4.550 -0.000 0.000 0.337 392 Y C 0.159 175.994 175.900 -0.109 0.000 0.961 392 Y CA -0.415 57.578 58.100 -0.178 0.000 1.186 392 Y CB 1.620 40.017 38.460 -0.106 0.000 1.139 392 Y HN 0.587 nan 8.280 nan 0.000 0.494 393 M N 3.321 122.941 119.600 0.034 0.000 2.395 393 M HA 0.626 5.106 4.480 -0.000 0.000 0.307 393 M C -1.306 175.068 176.300 0.123 0.000 1.091 393 M CA -0.372 54.974 55.300 0.075 0.000 0.919 393 M CB 1.718 34.355 32.600 0.061 0.000 1.662 393 M HN 0.531 nan 8.290 nan 0.000 0.440 394 S N 2.608 118.415 115.700 0.179 0.000 2.571 394 S HA 0.698 5.168 4.470 -0.000 0.000 0.284 394 S C -1.635 173.149 174.600 0.306 0.000 1.128 394 S CA -0.482 57.870 58.200 0.254 0.000 0.970 394 S CB 1.805 65.182 63.200 0.296 0.000 1.039 394 S HN 0.767 nan 8.310 nan 0.000 0.485 395 S N 4.227 120.099 115.700 0.286 0.000 2.614 395 S HA 0.865 5.335 4.470 -0.000 0.000 0.288 395 S C -1.278 173.467 174.600 0.242 0.000 1.137 395 S CA -0.658 57.644 58.200 0.170 0.000 0.992 395 S CB 0.265 63.515 63.200 0.083 0.000 1.026 395 S HN 0.823 nan 8.310 nan 0.000 0.486 396 F N 0.242 120.273 119.950 0.136 0.000 2.668 396 F HA 0.638 5.165 4.527 -0.000 0.000 0.309 396 F C -0.614 175.261 175.800 0.124 0.000 1.117 396 F CA -0.917 57.149 58.000 0.111 0.000 0.951 396 F CB 1.007 40.063 39.000 0.094 0.000 1.323 396 F HN 0.251 nan 8.300 nan 0.000 0.451 397 T N 3.409 118.118 114.554 0.260 0.000 2.728 397 T HA 0.434 4.784 4.350 -0.000 0.000 0.296 397 T C -2.516 172.377 174.700 0.322 0.000 0.940 397 T CA -0.947 61.267 62.100 0.190 0.000 1.013 397 T CB 0.722 69.675 68.868 0.142 0.000 0.912 397 T HN 0.326 nan 8.240 nan 0.000 0.484 398 P HA 0.113 nan 4.420 nan 0.000 0.268 398 P C 1.363 178.759 177.300 0.160 0.000 1.208 398 P CA -0.401 62.879 63.100 0.299 0.000 0.777 398 P CB 0.591 32.424 31.700 0.223 0.000 0.875 399 L N 2.011 123.293 121.223 0.098 0.000 1.997 399 L HA -0.296 4.044 4.340 -0.000 0.000 0.227 399 L C 2.279 179.171 176.870 0.036 0.000 1.087 399 L CA 2.542 57.411 54.840 0.048 0.000 0.797 399 L CB -0.623 41.437 42.059 0.002 0.000 0.902 399 L HN 0.521 nan 8.230 nan 0.000 0.441 400 M N -1.869 117.719 119.600 -0.020 0.000 2.260 400 M HA -0.232 4.248 4.480 -0.000 0.000 0.261 400 M C 1.508 177.794 176.300 -0.023 0.000 1.066 400 M CA 1.793 57.112 55.300 0.032 0.000 1.082 400 M CB -0.818 31.720 32.600 -0.104 0.000 1.388 400 M HN 0.226 nan 8.290 nan 0.000 0.419 401 H N 0.716 119.859 119.070 0.121 0.000 2.533 401 H HA 0.209 4.765 4.556 -0.000 0.000 0.271 401 H C 0.815 176.156 175.328 0.020 0.000 1.000 401 H CA 0.257 56.337 56.048 0.053 0.000 1.149 401 H CB -0.495 29.258 29.762 -0.015 0.000 1.375 401 H HN 0.577 nan 8.280 nan 0.000 0.582 402 N N 0.237 118.992 118.700 0.092 0.000 2.515 402 N HA -0.028 4.711 4.740 -0.000 0.000 0.185 402 N C 1.102 176.601 175.510 -0.019 0.000 1.109 402 N CA 0.468 53.543 53.050 0.042 0.000 0.903 402 N CB 0.643 39.149 38.487 0.032 0.000 0.969 402 N HN 0.312 nan 8.380 nan 0.000 0.450 403 I N -0.969 119.560 120.570 -0.069 0.000 4.607 403 I HA -0.037 4.133 4.170 -0.000 0.000 0.324 403 I C 1.872 177.837 176.117 -0.254 0.000 1.279 403 I CA 0.315 61.465 61.300 -0.250 0.000 1.286 403 I CB 0.104 37.797 38.000 -0.511 0.000 1.265 403 I HN -0.066 nan 8.210 nan 0.000 0.446 404 S N 0.413 116.093 115.700 -0.035 0.000 2.447 404 S HA 0.077 4.547 4.470 -0.000 0.000 0.233 404 S C 1.898 176.572 174.600 0.123 0.000 1.006 404 S CA 1.011 59.316 58.200 0.175 0.000 0.957 404 S CB -0.311 63.164 63.200 0.460 0.000 0.773 404 S HN 0.637 nan 8.310 nan 0.000 0.507 405 G N 0.052 108.896 108.800 0.073 0.000 2.213 405 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.226 405 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.226 405 G C 0.319 175.251 174.900 0.053 0.000 0.992 405 G CA 0.088 45.226 45.100 0.063 0.000 0.632 405 G HN 0.681 nan 8.290 nan 0.000 0.511 406 S N 1.284 116.980 115.700 -0.008 0.000 3.315 406 S HA 0.358 4.827 4.470 -0.000 0.000 0.195 406 S C 1.362 175.693 174.600 -0.449 0.000 1.394 406 S CA -0.318 57.685 58.200 -0.328 0.000 0.983 406 S CB 0.831 63.673 63.200 -0.596 0.000 1.370 406 S HN 0.461 nan 8.310 nan 0.000 0.491 407 K N 0.751 121.058 120.400 -0.155 0.000 2.228 407 K HA -0.080 4.240 4.320 -0.000 0.000 0.202 407 K C 1.497 178.050 176.600 -0.078 0.000 1.051 407 K CA 0.939 57.188 56.287 -0.063 0.000 0.960 407 K CB -0.194 32.325 32.500 0.032 0.000 0.743 407 K HN 0.791 nan 8.250 nan 0.000 0.458 408 Y N 0.971 121.243 120.300 -0.047 0.000 2.569 408 Y HA -0.010 4.539 4.550 -0.000 0.000 0.293 408 Y C 0.362 176.208 175.900 -0.090 0.000 1.144 408 Y CA 0.299 58.363 58.100 -0.060 0.000 1.321 408 Y CB -0.550 37.872 38.460 -0.063 0.000 0.982 408 Y HN -0.253 nan 8.280 nan 0.000 0.558 409 K N 2.938 122.990 120.400 -0.580 0.000 2.155 409 K HA 0.119 4.439 4.320 -0.000 0.000 0.240 409 K C -0.444 176.042 176.600 -0.190 0.000 1.193 409 K CA 0.063 56.067 56.287 -0.472 0.000 1.104 409 K CB 0.076 32.065 32.500 -0.851 0.000 1.558 409 K HN 0.344 nan 8.250 nan 0.000 0.313 410 K N 1.704 122.036 120.400 -0.113 0.000 2.205 410 K HA 0.161 4.481 4.320 -0.000 0.000 0.279 410 K C -0.395 176.104 176.600 -0.169 0.000 1.027 410 K CA -0.515 55.704 56.287 -0.113 0.000 0.932 410 K CB 0.814 33.267 32.500 -0.078 0.000 1.032 410 K HN 0.211 nan 8.250 nan 0.000 0.466 411 F N 2.952 122.614 119.950 -0.480 0.000 2.411 411 F HA 0.224 4.751 4.527 -0.000 0.000 0.350 411 F C -0.500 174.971 175.800 -0.548 0.000 1.114 411 F CA -0.680 56.982 58.000 -0.564 0.000 1.135 411 F CB 0.871 39.362 39.000 -0.848 0.000 1.120 411 F HN 0.088 nan 8.300 nan 0.000 0.495 412 V N 5.684 125.311 119.914 -0.479 0.000 2.417 412 V HA 0.757 4.877 4.120 -0.000 0.000 0.291 412 V C -0.330 175.707 176.094 -0.095 0.000 1.024 412 V CA -0.717 61.473 62.300 -0.183 0.000 0.861 412 V CB 1.147 32.874 31.823 -0.158 0.000 0.985 412 V HN 0.919 nan 8.190 nan 0.000 0.436 413 A N 5.143 128.076 122.820 0.189 0.000 2.335 413 A HA 0.817 5.137 4.320 -0.000 0.000 0.304 413 A C -0.565 177.117 177.584 0.162 0.000 1.118 413 A CA -0.746 51.437 52.037 0.244 0.000 0.757 413 A CB 1.074 20.341 19.000 0.444 0.000 1.188 413 A HN 0.779 nan 8.150 nan 0.000 0.460 414 K N 2.177 122.644 120.400 0.112 0.000 2.397 414 K HA 0.659 4.979 4.320 -0.000 0.000 0.253 414 K C -1.405 175.219 176.600 0.040 0.000 0.932 414 K CA -0.269 56.079 56.287 0.103 0.000 0.795 414 K CB 2.315 34.908 32.500 0.155 0.000 1.159 414 K HN 0.669 nan 8.250 nan 0.000 0.424 415 I N 2.724 123.303 120.570 0.016 0.000 2.406 415 I HA 0.292 4.462 4.170 -0.000 0.000 0.290 415 I C -0.568 175.577 176.117 0.047 0.000 0.999 415 I CA -1.237 60.011 61.300 -0.086 0.000 1.124 415 I CB 1.939 39.756 38.000 -0.305 0.000 1.289 415 I HN 0.164 nan 8.210 nan 0.000 0.441 416 V N 4.945 124.869 119.914 0.017 0.000 2.370 416 V HA 0.467 4.587 4.120 -0.000 0.000 0.279 416 V C 0.336 176.435 176.094 0.009 0.000 1.029 416 V CA -0.329 62.004 62.300 0.055 0.000 0.870 416 V CB 1.602 33.478 31.823 0.090 0.000 0.984 416 V HN 0.893 nan 8.190 nan 0.000 0.451 417 T N 0.946 115.537 114.554 0.063 0.000 2.924 417 T HA 0.428 4.778 4.350 -0.000 0.000 0.291 417 T C -0.267 174.408 174.700 -0.041 0.000 1.045 417 T CA -0.876 61.236 62.100 0.019 0.000 1.015 417 T CB 1.702 70.653 68.868 0.139 0.000 1.103 417 T HN 0.438 nan 8.240 nan 0.000 0.496 418 N N 0.464 119.053 118.700 -0.185 0.000 2.415 418 N HA 0.076 4.816 4.740 -0.000 0.000 0.250 418 N C 0.622 176.150 175.510 0.030 0.000 1.127 418 N CA -0.068 52.846 53.050 -0.226 0.000 0.945 418 N CB 0.283 38.505 38.487 -0.441 0.000 1.196 418 N HN 0.859 nan 8.380 nan 0.000 0.499 419 H N 1.902 121.013 119.070 0.069 0.000 2.518 419 H HA -0.071 4.485 4.556 -0.000 0.000 0.289 419 H C 1.751 177.143 175.328 0.108 0.000 1.051 419 H CA 1.901 58.033 56.048 0.141 0.000 1.280 419 H CB 0.377 30.274 29.762 0.224 0.000 1.380 419 H HN 0.591 nan 8.280 nan 0.000 0.566 420 S N -0.677 115.044 115.700 0.035 0.000 2.470 420 S HA -0.076 4.394 4.470 -0.000 0.000 0.225 420 S C 1.217 175.791 174.600 -0.045 0.000 1.006 420 S CA 0.984 59.178 58.200 -0.010 0.000 0.934 420 S CB 0.241 63.485 63.200 0.073 0.000 0.778 420 S HN 0.670 nan 8.310 nan 0.000 0.517 421 D N -1.833 118.544 120.400 -0.038 0.000 2.516 421 D HA 0.260 4.900 4.640 -0.000 0.000 0.241 421 D C 1.260 177.534 176.300 -0.043 0.000 1.246 421 D CA 0.564 54.542 54.000 -0.038 0.000 0.808 421 D CB -0.208 40.587 40.800 -0.008 0.000 1.147 421 D HN 0.555 nan 8.370 nan 0.000 0.527 422 G N 0.210 108.986 108.800 -0.040 0.000 2.175 422 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.244 422 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.244 422 G C 0.403 175.281 174.900 -0.037 0.000 0.982 422 G CA 0.244 45.335 45.100 -0.016 0.000 0.641 422 G HN 0.426 nan 8.290 nan 0.000 0.527 423 T N 1.459 115.979 114.554 -0.056 0.000 2.902 423 T HA 0.389 4.739 4.350 -0.000 0.000 0.301 423 T C 0.834 175.479 174.700 -0.091 0.000 1.012 423 T CA 0.141 62.201 62.100 -0.067 0.000 1.151 423 T CB 1.983 70.808 68.868 -0.071 0.000 0.946 423 T HN 0.487 nan 8.240 nan 0.000 0.542 424 V N 5.667 125.543 119.914 -0.064 0.000 2.508 424 V HA 0.116 4.236 4.120 -0.000 0.000 0.281 424 V C 1.216 177.258 176.094 -0.088 0.000 1.041 424 V CA 0.098 62.346 62.300 -0.086 0.000 1.016 424 V CB 0.688 32.471 31.823 -0.067 0.000 0.984 424 V HN 0.825 nan 8.190 nan 0.000 0.478 425 L N 3.873 125.031 121.223 -0.109 0.000 2.470 425 L HA 0.493 4.833 4.340 -0.000 0.000 0.219 425 L C 0.999 177.840 176.870 -0.049 0.000 1.071 425 L CA 0.670 55.456 54.840 -0.089 0.000 0.850 425 L CB 0.325 42.301 42.059 -0.138 0.000 1.040 425 L HN 0.802 nan 8.230 nan 0.000 0.475 426 G N -0.501 108.246 108.800 -0.088 0.000 2.702 426 G HA2 0.517 4.476 3.960 -0.000 0.000 0.296 426 G HA3 0.517 4.476 3.960 -0.000 0.000 0.296 426 G C -1.964 172.720 174.900 -0.359 0.000 1.463 426 G CA -0.314 44.678 45.100 -0.181 0.000 0.890 426 G HN -0.292 nan 8.290 nan 0.000 0.534 427 V N 2.607 122.156 119.914 -0.608 0.000 2.686 427 V HA 0.604 4.724 4.120 -0.000 0.000 0.306 427 V C -1.128 174.539 176.094 -0.712 0.000 1.065 427 V CA -0.915 61.079 62.300 -0.509 0.000 0.894 427 V CB 1.974 33.636 31.823 -0.269 0.000 1.004 427 V HN 0.822 nan 8.190 nan 0.000 0.424 428 H N 5.399 124.463 119.070 -0.011 0.000 2.744 428 H HA 0.623 5.178 4.556 -0.000 0.000 0.339 428 H C -1.139 174.172 175.328 -0.028 0.000 1.004 428 H CA -0.459 55.588 56.048 -0.002 0.000 1.257 428 H CB 2.181 31.948 29.762 0.008 0.000 1.552 428 H HN 0.420 nan 8.280 nan 0.000 0.522 429 L N 3.546 124.780 121.223 0.018 0.000 2.346 429 L HA 0.444 4.783 4.340 -0.000 0.000 0.274 429 L C -0.664 176.030 176.870 -0.292 0.000 1.007 429 L CA -1.052 53.704 54.840 -0.140 0.000 0.818 429 L CB 2.326 44.350 42.059 -0.058 0.000 1.284 429 L HN 0.237 nan 8.230 nan 0.000 0.424 430 L N 2.159 123.039 121.223 -0.571 0.000 2.385 430 L HA 1.001 5.341 4.340 -0.000 0.000 0.273 430 L C -0.212 176.136 176.870 -0.871 0.000 0.990 430 L CA 0.267 54.784 54.840 -0.537 0.000 0.821 430 L CB 1.772 43.611 42.059 -0.367 0.000 1.279 430 L HN 0.740 nan 8.230 nan 0.000 0.412 431 G N 2.757 111.258 108.800 -0.499 0.000 2.334 431 G HA2 0.046 4.006 3.960 -0.000 0.000 0.566 431 G HA3 0.046 4.006 3.960 -0.000 0.000 0.566 431 G C -1.698 173.239 174.900 0.062 0.000 1.413 431 G CA -0.964 43.997 45.100 -0.231 0.000 0.993 431 G HN 0.621 nan 8.290 nan 0.000 0.642 432 D N 0.071 120.582 120.400 0.185 0.000 2.472 432 D HA 0.430 5.070 4.640 -0.000 0.000 0.237 432 D C 1.550 177.990 176.300 0.233 0.000 1.141 432 D CA 2.153 56.252 54.000 0.166 0.000 0.875 432 D CB 1.063 41.959 40.800 0.159 0.000 1.192 432 D HN 1.887 nan 8.370 nan 0.000 0.450 433 G N 1.652 110.552 108.800 0.168 0.000 2.253 433 G HA2 -0.377 3.582 3.960 -0.000 0.000 0.251 433 G HA3 -0.377 3.582 3.960 -0.000 0.000 0.251 433 G C 1.243 176.256 174.900 0.188 0.000 0.998 433 G CA 0.912 46.115 45.100 0.172 0.000 0.621 433 G HN 0.705 nan 8.290 nan 0.000 0.524 434 A N 1.422 124.353 122.820 0.184 0.000 1.892 434 A HA 0.124 4.444 4.320 -0.000 0.000 0.218 434 A C 0.620 178.239 177.584 0.058 0.000 1.188 434 A CA 2.707 54.816 52.037 0.118 0.000 0.631 434 A CB -1.229 17.744 19.000 -0.045 0.000 0.822 434 A HN 0.478 nan 8.150 nan 0.000 0.447 435 P HA -0.133 nan 4.420 nan 0.000 0.218 435 P C 1.247 178.596 177.300 0.082 0.000 1.148 435 P CA 1.198 64.298 63.100 -0.001 0.000 0.822 435 P CB -0.001 31.701 31.700 0.004 0.000 0.784 436 E N -0.732 119.532 120.200 0.106 0.000 2.076 436 E HA -0.037 4.313 4.350 -0.000 0.000 0.190 436 E C 2.141 178.794 176.600 0.089 0.000 0.979 436 E CA 0.818 57.278 56.400 0.101 0.000 0.807 436 E CB -0.621 29.137 29.700 0.096 0.000 0.761 436 E HN 0.319 nan 8.360 nan 0.000 0.454 437 I N 0.745 121.379 120.570 0.106 0.000 2.252 437 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 437 I C 2.433 178.611 176.117 0.102 0.000 1.102 437 I CA 0.560 61.928 61.300 0.113 0.000 1.385 437 I CB -0.139 37.962 38.000 0.168 0.000 1.064 437 I HN 0.029 nan 8.210 nan 0.000 0.414 438 I N 0.841 121.465 120.570 0.092 0.000 2.454 438 I HA -0.289 3.881 4.170 -0.000 0.000 0.254 438 I C 2.436 178.592 176.117 0.066 0.000 1.156 438 I CA 1.433 62.778 61.300 0.074 0.000 1.433 438 I CB -0.409 37.621 38.000 0.050 0.000 1.082 438 I HN 0.225 nan 8.210 nan 0.000 0.432 439 Q N 1.155 120.993 119.800 0.064 0.000 2.014 439 Q HA -0.226 4.114 4.340 -0.000 0.000 0.207 439 Q C 2.195 178.221 176.000 0.044 0.000 0.993 439 Q CA 2.828 58.663 55.803 0.054 0.000 0.850 439 Q CB -0.666 28.104 28.738 0.054 0.000 0.916 439 Q HN 0.540 nan 8.270 nan 0.000 0.417 440 A N -0.684 122.160 122.820 0.041 0.000 2.067 440 A HA -0.048 4.272 4.320 -0.000 0.000 0.219 440 A C 2.221 179.825 177.584 0.032 0.000 1.158 440 A CA 1.228 53.279 52.037 0.024 0.000 0.661 440 A CB -0.517 18.489 19.000 0.010 0.000 0.801 440 A HN 0.294 nan 8.150 nan 0.000 0.452 441 V N -0.116 119.842 119.914 0.075 0.000 2.490 441 V HA -0.195 3.924 4.120 -0.000 0.000 0.250 441 V C 2.743 178.887 176.094 0.083 0.000 1.061 441 V CA 1.815 64.192 62.300 0.129 0.000 1.064 441 V CB -1.242 30.678 31.823 0.161 0.000 0.670 441 V HN 0.611 nan 8.190 nan 0.000 0.461 442 G N -0.224 108.606 108.800 0.050 0.000 2.432 442 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.219 442 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.219 442 G C 1.602 176.516 174.900 0.022 0.000 1.135 442 G CA 1.221 46.341 45.100 0.033 0.000 0.767 442 G HN 0.424 nan 8.290 nan 0.000 0.550 443 V N 0.455 120.378 119.914 0.014 0.000 2.379 443 V HA -0.168 3.951 4.120 -0.000 0.000 0.245 443 V C 3.014 179.101 176.094 -0.013 0.000 1.044 443 V CA 1.486 63.784 62.300 -0.003 0.000 1.036 443 V CB -0.716 31.099 31.823 -0.014 0.000 0.664 443 V HN 0.482 nan 8.190 nan 0.000 0.453 444 C N 0.006 119.297 119.300 -0.016 0.000 2.385 444 C HA -0.205 4.255 4.460 -0.000 0.000 0.275 444 C C 2.610 177.615 174.990 0.025 0.000 1.207 444 C CA 1.091 60.092 59.018 -0.029 0.000 1.760 444 C CB -1.171 26.556 27.740 -0.023 0.000 2.051 444 C HN 0.477 nan 8.230 nan 0.000 0.467 445 L N 0.451 121.705 121.223 0.051 0.000 2.109 445 L HA -0.013 4.327 4.340 -0.000 0.000 0.207 445 L C 2.561 179.442 176.870 0.018 0.000 1.086 445 L CA 1.533 56.397 54.840 0.041 0.000 0.760 445 L CB -1.037 41.042 42.059 0.032 0.000 0.910 445 L HN 0.272 nan 8.230 nan 0.000 0.437 446 R N -0.020 120.487 120.500 0.011 0.000 2.133 446 R HA -0.163 4.177 4.340 -0.000 0.000 0.247 446 R C 1.758 178.056 176.300 -0.002 0.000 1.151 446 R CA 1.486 57.587 56.100 0.003 0.000 0.971 446 R CB -0.372 29.927 30.300 -0.001 0.000 0.866 446 R HN 0.317 nan 8.270 nan 0.000 0.447 447 L N 0.944 122.161 121.223 -0.009 0.000 2.627 447 L HA 0.099 4.439 4.340 -0.000 0.000 0.232 447 L C -0.138 176.723 176.870 -0.014 0.000 1.150 447 L CA -0.066 54.763 54.840 -0.018 0.000 0.917 447 L CB -0.129 41.908 42.059 -0.036 0.000 1.104 447 L HN 0.326 nan 8.230 nan 0.000 0.445 448 N N -0.164 118.536 118.700 -0.001 0.000 2.725 448 N HA -0.178 4.562 4.740 -0.000 0.000 0.249 448 N C 0.425 175.933 175.510 -0.002 0.000 1.103 448 N CA 0.878 53.929 53.050 0.002 0.000 0.707 448 N CB -1.216 37.271 38.487 0.001 0.000 1.043 448 N HN 0.396 nan 8.380 nan 0.000 0.553 449 A N 0.174 122.998 122.820 0.006 0.000 2.587 449 A HA 0.138 4.458 4.320 -0.000 0.000 0.233 449 A C 0.820 178.430 177.584 0.044 0.000 1.049 449 A CA 0.638 52.684 52.037 0.013 0.000 0.754 449 A CB 0.412 19.431 19.000 0.032 0.000 0.977 449 A HN 0.318 nan 8.150 nan 0.000 0.509 450 K N 1.137 121.540 120.400 0.005 0.000 2.211 450 K HA 0.424 4.744 4.320 -0.000 0.000 0.237 450 K C 0.995 177.572 176.600 -0.039 0.000 1.002 450 K CA -0.816 55.451 56.287 -0.033 0.000 0.885 450 K CB 1.073 33.527 32.500 -0.076 0.000 1.136 450 K HN 0.518 nan 8.250 nan 0.000 0.448 451 I N 1.474 121.957 120.570 -0.145 0.000 2.335 451 I HA -0.290 3.879 4.170 -0.000 0.000 0.251 451 I C 1.919 177.728 176.117 -0.514 0.000 1.129 451 I CA 1.833 62.960 61.300 -0.288 0.000 1.402 451 I CB -0.257 37.462 38.000 -0.468 0.000 1.069 451 I HN 0.743 nan 8.210 nan 0.000 0.424 452 S N -0.485 114.826 115.700 -0.650 0.000 2.423 452 S HA -0.164 4.306 4.470 -0.000 0.000 0.231 452 S C 1.704 175.926 174.600 -0.630 0.000 1.014 452 S CA 1.197 58.694 58.200 -1.171 0.000 0.965 452 S CB -0.732 62.108 63.200 -0.600 0.000 0.785 452 S HN 0.527 nan 8.310 nan 0.000 0.495 453 D N 0.726 120.941 120.400 -0.308 0.000 2.183 453 D HA 0.020 4.659 4.640 -0.000 0.000 0.203 453 D C 1.474 177.650 176.300 -0.206 0.000 0.969 453 D CA 0.851 54.721 54.000 -0.217 0.000 0.842 453 D CB -0.336 40.350 40.800 -0.191 0.000 0.957 453 D HN 0.439 nan 8.370 nan 0.000 0.484 454 F N 0.936 120.748 119.950 -0.229 0.000 2.084 454 F HA -0.182 4.344 4.527 -0.000 0.000 0.296 454 F C 2.547 178.302 175.800 -0.076 0.000 1.111 454 F CA 1.214 59.129 58.000 -0.142 0.000 1.224 454 F CB -0.791 38.122 39.000 -0.145 0.000 0.991 454 F HN 0.062 nan 8.300 nan 0.000 0.471 455 Y N -0.951 119.417 120.300 0.112 0.000 2.293 455 Y HA -0.110 4.440 4.550 -0.000 0.000 0.291 455 Y C 1.942 177.852 175.900 0.017 0.000 1.137 455 Y CA 0.937 59.062 58.100 0.041 0.000 1.202 455 Y CB -1.093 37.371 38.460 0.008 0.000 0.990 455 Y HN -0.083 nan 8.280 nan 0.000 0.537 456 N N 0.344 119.122 118.700 0.129 0.000 2.381 456 N HA -0.060 4.680 4.740 -0.000 0.000 0.182 456 N C 0.053 175.584 175.510 0.036 0.000 1.025 456 N CA 1.140 54.247 53.050 0.095 0.000 0.888 456 N CB -0.402 38.087 38.487 0.002 0.000 0.965 456 N HN 0.303 nan 8.380 nan 0.000 0.438 457 T N 1.606 116.162 114.554 0.003 0.000 2.851 457 T HA 0.259 4.609 4.350 -0.000 0.000 0.298 457 T C 0.816 175.522 174.700 0.010 0.000 0.977 457 T CA -0.342 61.744 62.100 -0.023 0.000 1.126 457 T CB 0.941 69.761 68.868 -0.081 0.000 0.916 457 T HN -0.011 nan 8.240 nan 0.000 0.529 458 I N 3.014 123.583 120.570 -0.002 0.000 2.533 458 I HA 0.183 4.353 4.170 -0.000 0.000 0.284 458 I C 1.512 177.632 176.117 0.005 0.000 1.109 458 I CA -0.165 61.136 61.300 0.003 0.000 1.412 458 I CB 0.292 38.290 38.000 -0.004 0.000 1.396 458 I HN 0.668 nan 8.210 nan 0.000 0.543 459 G N 5.759 114.565 108.800 0.009 0.000 2.559 459 G HA2 0.276 4.236 3.960 -0.000 0.000 0.235 459 G HA3 0.276 4.236 3.960 -0.000 0.000 0.235 459 G C -0.255 174.660 174.900 0.026 0.000 1.266 459 G CA -0.440 44.670 45.100 0.017 0.000 0.847 459 G HN 0.410 nan 8.290 nan 0.000 0.583 460 V N 2.514 122.447 119.914 0.031 0.000 2.383 460 V HA 0.300 4.420 4.120 -0.000 0.000 0.275 460 V C -0.142 175.995 176.094 0.071 0.000 1.036 460 V CA -0.473 61.849 62.300 0.037 0.000 0.889 460 V CB 0.950 32.780 31.823 0.012 0.000 0.985 460 V HN 0.870 nan 8.190 nan 0.000 0.459 461 H N 5.673 124.721 119.070 -0.036 0.000 2.538 461 H HA 0.718 5.274 4.556 -0.000 0.000 0.353 461 H C -2.568 172.740 175.328 -0.034 0.000 1.109 461 H CA -1.775 54.248 56.048 -0.043 0.000 1.192 461 H CB 2.026 31.764 29.762 -0.041 0.000 1.555 461 H HN 0.528 nan 8.280 nan 0.000 0.518 462 P HA 0.329 nan 4.420 nan 0.000 0.293 462 P C -1.260 175.908 177.300 -0.221 0.000 1.300 462 P CA -0.598 62.143 63.100 -0.599 0.000 0.792 462 P CB 1.433 32.757 31.700 -0.625 0.000 0.925 463 T N -2.278 112.197 114.554 -0.132 0.000 2.843 463 T HA 0.337 4.687 4.350 -0.000 0.000 0.302 463 T C 0.807 175.432 174.700 -0.126 0.000 1.232 463 T CA -0.598 61.441 62.100 -0.101 0.000 1.009 463 T CB 1.145 69.975 68.868 -0.064 0.000 1.254 463 T HN -0.015 nan 8.240 nan 0.000 0.504 464 S N 0.428 116.029 115.700 -0.166 0.000 2.368 464 S HA 0.008 4.477 4.470 -0.000 0.000 0.224 464 S C 2.512 176.954 174.600 -0.264 0.000 1.029 464 S CA 1.112 59.116 58.200 -0.327 0.000 0.988 464 S CB -0.911 61.784 63.200 -0.840 0.000 0.838 464 S HN 0.945 nan 8.310 nan 0.000 0.462 465 A N 2.340 125.081 122.820 -0.131 0.000 1.948 465 A HA -0.243 4.077 4.320 -0.000 0.000 0.220 465 A C 2.026 179.623 177.584 0.021 0.000 1.177 465 A CA 1.863 53.899 52.037 -0.002 0.000 0.636 465 A CB -0.759 18.263 19.000 0.036 0.000 0.815 465 A HN 0.788 nan 8.150 nan 0.000 0.449 466 E N -0.651 119.538 120.200 -0.018 0.000 2.265 466 E HA -0.237 4.113 4.350 -0.000 0.000 0.196 466 E C 1.563 178.159 176.600 -0.007 0.000 0.996 466 E CA 1.221 57.622 56.400 0.002 0.000 0.832 466 E CB -0.248 29.453 29.700 0.002 0.000 0.756 466 E HN 0.478 nan 8.360 nan 0.000 0.491 467 E N 1.280 121.447 120.200 -0.055 0.000 2.209 467 E HA -0.107 4.243 4.350 -0.000 0.000 0.196 467 E C 1.867 178.508 176.600 0.068 0.000 0.993 467 E CA 0.789 57.163 56.400 -0.044 0.000 0.819 467 E CB -0.230 29.440 29.700 -0.050 0.000 0.745 467 E HN 0.425 nan 8.360 nan 0.000 0.477 468 L N -1.025 120.265 121.223 0.112 0.000 2.275 468 L HA -0.140 4.200 4.340 -0.000 0.000 0.215 468 L C 1.363 178.332 176.870 0.165 0.000 1.119 468 L CA 0.551 55.464 54.840 0.120 0.000 0.790 468 L CB 0.020 42.194 42.059 0.191 0.000 0.919 468 L HN 0.207 nan 8.230 nan 0.000 0.443 469 C N -1.590 117.806 119.300 0.159 0.000 2.881 469 C HA 0.204 4.664 4.460 -0.000 0.000 0.290 469 C C 1.767 176.829 174.990 0.119 0.000 1.362 469 C CA -0.219 58.901 59.018 0.170 0.000 1.757 469 C CB -0.537 27.277 27.740 0.124 0.000 2.265 469 C HN 0.307 nan 8.230 nan 0.000 0.600 470 S N 0.267 116.016 115.700 0.081 0.000 2.730 470 S HA 0.341 4.811 4.470 -0.000 0.000 0.244 470 S C 0.151 174.778 174.600 0.045 0.000 1.022 470 S CA -0.056 58.169 58.200 0.041 0.000 1.014 470 S CB 0.045 63.238 63.200 -0.012 0.000 0.963 470 S HN 0.523 nan 8.310 nan 0.000 0.540 471 M N 2.262 121.912 119.600 0.084 0.000 2.167 471 M HA 0.425 4.905 4.480 -0.000 0.000 0.333 471 M C 0.825 177.212 176.300 0.146 0.000 1.030 471 M CA -0.282 55.086 55.300 0.113 0.000 0.963 471 M CB 1.682 34.366 32.600 0.141 0.000 1.589 471 M HN 0.142 nan 8.290 nan 0.000 0.431 472 R N -0.158 120.407 120.500 0.108 0.000 2.517 472 R HA 0.293 4.633 4.340 -0.000 0.000 0.265 472 R C -0.430 176.027 176.300 0.261 0.000 0.921 472 R CA -0.114 55.973 56.100 -0.020 0.000 1.054 472 R CB 0.533 30.535 30.300 -0.496 0.000 1.340 472 R HN 0.432 nan 8.270 nan 0.000 0.551 473 T N 3.735 118.435 114.554 0.243 0.000 2.815 473 T HA 0.395 4.744 4.350 -0.000 0.000 0.289 473 T C -2.723 171.872 174.700 -0.175 0.000 1.000 473 T CA -1.600 60.547 62.100 0.078 0.000 0.958 473 T CB 2.262 71.138 68.868 0.013 0.000 0.944 473 T HN -0.066 nan 8.240 nan 0.000 0.442 474 P HA 0.110 nan 4.420 nan 0.000 0.265 474 P C 0.501 177.416 177.300 -0.642 0.000 1.187 474 P CA 0.139 62.546 63.100 -1.155 0.000 0.766 474 P CB 0.536 31.402 31.700 -1.391 0.000 0.820 475 S N 1.449 116.807 115.700 -0.569 0.000 2.387 475 S HA 0.007 4.477 4.470 -0.000 0.000 0.226 475 S C 0.334 174.813 174.600 -0.201 0.000 1.026 475 S CA 1.074 59.112 58.200 -0.271 0.000 0.972 475 S CB -0.588 62.531 63.200 -0.135 0.000 0.814 475 S HN 0.697 nan 8.310 nan 0.000 0.477 476 Y N -2.705 117.277 120.300 -0.531 0.000 2.818 476 Y HA 0.664 5.214 4.550 -0.000 0.000 0.341 476 Y C -1.570 173.939 175.900 -0.652 0.000 1.283 476 Y CA -2.184 55.634 58.100 -0.470 0.000 1.075 476 Y CB 0.501 38.810 38.460 -0.251 0.000 1.370 476 Y HN -0.068 nan 8.280 nan 0.000 0.448 477 Y N -0.987 119.320 120.300 0.011 0.000 2.638 477 Y HA 0.679 5.229 4.550 -0.000 0.000 0.339 477 Y C -1.570 174.251 175.900 -0.132 0.000 1.084 477 Y CA -1.523 56.538 58.100 -0.065 0.000 1.068 477 Y CB 2.129 40.523 38.460 -0.110 0.000 1.294 477 Y HN 0.571 nan 8.280 nan 0.000 0.480 478 Y N 0.515 120.974 120.300 0.264 0.000 2.331 478 Y HA 0.618 5.168 4.550 -0.000 0.000 0.334 478 Y C -0.872 175.120 175.900 0.154 0.000 0.960 478 Y CA -1.041 57.170 58.100 0.187 0.000 1.130 478 Y CB 1.850 40.408 38.460 0.163 0.000 1.164 478 Y HN 0.199 nan 8.280 nan 0.000 0.458 479 V N 4.260 124.303 119.914 0.216 0.000 2.407 479 V HA 0.272 4.392 4.120 -0.000 0.000 0.291 479 V C -0.115 176.061 176.094 0.135 0.000 1.018 479 V CA -1.665 60.721 62.300 0.144 0.000 0.842 479 V CB 1.380 33.236 31.823 0.056 0.000 0.996 479 V HN 0.770 nan 8.190 nan 0.000 0.426 480 K N 3.936 124.417 120.400 0.135 0.000 3.077 480 K HA -0.245 4.075 4.320 -0.000 0.000 0.264 480 K C 1.148 177.823 176.600 0.125 0.000 1.008 480 K CA 0.983 57.336 56.287 0.110 0.000 0.740 480 K CB -1.315 31.230 32.500 0.074 0.000 1.273 480 K HN 1.557 nan 8.250 nan 0.000 0.477 481 G N -0.612 108.297 108.800 0.182 0.000 2.225 481 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.254 481 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.254 481 G C -0.150 174.923 174.900 0.289 0.000 0.988 481 G CA 0.380 45.600 45.100 0.200 0.000 0.625 481 G HN 0.482 nan 8.290 nan 0.000 0.527 482 E N 0.893 121.228 120.200 0.226 0.000 2.146 482 E HA 0.454 4.804 4.350 -0.000 0.000 0.282 482 E C 0.235 176.865 176.600 0.049 0.000 0.989 482 E CA -0.719 55.766 56.400 0.141 0.000 0.799 482 E CB 0.507 30.247 29.700 0.068 0.000 1.088 482 E HN 0.288 nan 8.360 nan 0.000 0.397 483 K N 5.590 125.930 120.400 -0.101 0.000 2.368 483 K HA 0.202 4.522 4.320 -0.000 0.000 0.282 483 K C -0.386 176.070 176.600 -0.241 0.000 1.035 483 K CA 0.095 56.096 56.287 -0.477 0.000 0.973 483 K CB 0.385 32.583 32.500 -0.503 0.000 0.957 483 K HN 0.573 nan 8.250 nan 0.000 0.474 484 M N 1.482 120.972 119.600 -0.182 0.000 2.490 484 M HA 0.167 4.647 4.480 -0.000 0.000 0.286 484 M C -0.035 176.292 176.300 0.045 0.000 1.185 484 M CA -0.793 54.467 55.300 -0.067 0.000 0.912 484 M CB 1.754 34.337 32.600 -0.029 0.000 1.744 484 M HN 0.657 nan 8.290 nan 0.000 0.494 485 E N 1.748 121.965 120.200 0.028 0.000 2.150 485 E HA 0.037 4.387 4.350 -0.000 0.000 0.193 485 E C -0.298 176.428 176.600 0.210 0.000 0.985 485 E CA 1.185 57.641 56.400 0.094 0.000 0.814 485 E CB 0.547 30.263 29.700 0.028 0.000 0.752 485 E HN 0.602 nan 8.360 nan 0.000 0.466 486 K N 0.618 121.103 120.400 0.142 0.000 2.422 486 K HA 0.245 4.565 4.320 -0.000 0.000 0.251 486 K C -1.172 175.371 176.600 -0.096 0.000 0.933 486 K CA -0.971 55.368 56.287 0.086 0.000 0.798 486 K CB 1.783 34.301 32.500 0.031 0.000 1.238 486 K HN -0.055 nan 8.250 nan 0.000 0.428 487 L N 3.580 124.593 121.223 -0.350 0.000 2.456 487 L HA 0.184 4.524 4.340 -0.000 0.000 0.272 487 L C -2.033 174.728 176.870 -0.182 0.000 1.189 487 L CA -1.584 53.000 54.840 -0.427 0.000 0.846 487 L CB -0.500 41.233 42.059 -0.543 0.000 1.111 487 L HN 0.462 nan 8.230 nan 0.000 0.475 488 P HA 0.272 nan 4.420 nan 0.000 0.271 488 P C -0.520 176.746 177.300 -0.056 0.000 1.226 488 P CA -0.042 63.017 63.100 -0.069 0.000 0.765 488 P CB 0.110 31.782 31.700 -0.047 0.000 0.835 489 D N 0.000 120.377 120.400 -0.039 0.000 6.856 489 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 489 D CA 0.000 53.985 54.000 -0.025 0.000 0.868 489 D CB 0.000 40.789 40.800 -0.019 0.000 0.688 489 D HN 0.000 nan 8.370 nan 0.000 0.683