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 2wpe_1_A DATA FIRST_RESID -1 DATA SEQUENCE SHMSKAFDLV VIGAGSGGLE AGWNAATLYG KRVAVVDVQT SHGPPFYAAL DATA SEQUENCE GGTcVNVGcV PKKLMVTGAQ YMDHLRESAG FGWEFDGSSV KANWKKLIAA DATA SEQUENCE KNEAVLDINK SYEGMFNDTE GLDFFLGWGS LESKNVVVVR ETADPKSAVK DATA SEQUENCE ERLQADHILL ATGSWPQMPA IPGIEHCISS NEAFYLPEPP RRVLTVGGGF DATA SEQUENCE ISVEFAGIFN AYKPPGGKVT LCYRNNLILR GFDETIREEV TKQLTANGIE DATA SEQUENCE IMTNENPAKV SLNTDGSKHV TFESGKTLDV DVVMMAIGRI PRTNDLQLGN DATA SEQUENCE VGVKLTPKGG VQVDEFSRTN VPNIYAIGDI TDRLMLTPVA INEGAALVDT DATA SEQUENCE VFGNKPRKTD HTRVASAVFS IPPIGTCGLI EEVAAKEFEK VAVYMSSFTP DATA SEQUENCE LMHNISGSKY KKFVAKIVTN HSDGTVLGVH LLGDGAPEII QAVGVCLRLN DATA SEQUENCE AKISDFYNTI GVHPTSAEEL CSMRTPSYYY VKGEKMEKLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -1 S HA 0.000 nan 4.470 nan 0.000 0.327 -1 S C 0.000 174.346 174.600 -0.423 0.000 1.055 -1 S CA 0.000 58.013 58.200 -0.312 0.000 1.107 -1 S CB 0.000 63.145 63.200 -0.092 0.000 0.593 0 H N 1.286 120.371 119.070 0.025 0.000 2.581 0 H HA 0.420 4.976 4.556 -0.001 0.000 0.275 0 H C -0.257 175.080 175.328 0.015 0.000 1.126 0 H CA -0.033 56.028 56.048 0.021 0.000 1.097 0 H CB 0.218 29.989 29.762 0.016 0.000 1.626 0 H HN 0.430 nan 8.280 nan 0.000 0.565 1 M N 1.004 120.642 119.600 0.064 0.000 2.537 1 M HA 0.234 4.713 4.480 -0.001 0.000 0.324 1 M C 0.923 177.237 176.300 0.022 0.000 1.187 1 M CA -0.673 54.652 55.300 0.041 0.000 0.993 1 M CB 2.036 34.649 32.600 0.021 0.000 1.666 1 M HN 0.041 nan 8.290 nan 0.000 0.461 2 S N 2.244 117.949 115.700 0.009 0.000 2.580 2 S HA 0.295 4.764 4.470 -0.001 0.000 0.266 2 S C -0.348 174.235 174.600 -0.028 0.000 1.354 2 S CA -0.281 57.913 58.200 -0.009 0.000 1.008 2 S CB 0.704 63.894 63.200 -0.017 0.000 0.898 2 S HN 0.605 nan 8.310 nan 0.000 0.555 3 K N 0.528 120.904 120.400 -0.040 0.000 2.328 3 K HA 0.766 5.085 4.320 -0.001 0.000 0.246 3 K C -0.710 175.719 176.600 -0.286 0.000 0.955 3 K CA -0.791 55.416 56.287 -0.134 0.000 0.817 3 K CB 2.111 34.638 32.500 0.045 0.000 1.208 3 K HN 0.794 nan 8.250 nan 0.000 0.432 4 A N 1.998 124.440 122.820 -0.630 0.000 2.374 4 A HA 0.894 5.214 4.320 -0.001 0.000 0.317 4 A C -1.304 175.715 177.584 -0.942 0.000 1.094 4 A CA -0.602 51.143 52.037 -0.486 0.000 0.765 4 A CB 0.665 19.520 19.000 -0.241 0.000 1.268 4 A HN 0.568 nan 8.150 nan 0.000 0.438 5 F N -0.404 119.561 119.950 0.026 0.000 2.662 5 F HA 0.348 4.874 4.527 -0.001 0.000 0.312 5 F C 0.650 176.495 175.800 0.074 0.000 1.113 5 F CA -0.743 57.287 58.000 0.050 0.000 0.951 5 F CB 1.669 40.707 39.000 0.064 0.000 1.344 5 F HN 0.597 nan 8.300 nan 0.000 0.462 6 D N 0.378 120.934 120.400 0.261 0.000 2.123 6 D HA -0.016 4.623 4.640 -0.001 0.000 0.200 6 D C 0.005 176.555 176.300 0.416 0.000 0.976 6 D CA 1.668 55.832 54.000 0.275 0.000 0.831 6 D CB 0.445 41.298 40.800 0.087 0.000 0.974 6 D HN 0.135 nan 8.370 nan 0.000 0.469 7 L N 0.687 122.111 121.223 0.334 0.000 2.438 7 L HA 0.346 4.686 4.340 -0.001 0.000 0.270 7 L C -1.323 175.663 176.870 0.194 0.000 0.972 7 L CA -0.685 54.361 54.840 0.344 0.000 0.831 7 L CB 2.397 44.648 42.059 0.320 0.000 1.273 7 L HN -0.356 nan 8.230 nan 0.000 0.405 8 V N 5.562 125.567 119.914 0.152 0.000 2.417 8 V HA 0.589 4.708 4.120 -0.001 0.000 0.291 8 V C -0.506 175.624 176.094 0.060 0.000 1.024 8 V CA -0.660 61.641 62.300 0.002 0.000 0.861 8 V CB 1.929 33.722 31.823 -0.050 0.000 0.985 8 V HN 0.533 nan 8.190 nan 0.000 0.436 9 V N 6.408 126.346 119.914 0.040 0.000 2.417 9 V HA 0.488 4.608 4.120 -0.001 0.000 0.291 9 V C -0.127 175.989 176.094 0.036 0.000 1.024 9 V CA -0.420 61.931 62.300 0.085 0.000 0.861 9 V CB 1.783 33.682 31.823 0.126 0.000 0.985 9 V HN 0.676 nan 8.190 nan 0.000 0.436 10 I N 4.624 125.216 120.570 0.036 0.000 2.306 10 I HA 0.700 4.870 4.170 -0.001 0.000 0.288 10 I C 0.655 176.783 176.117 0.019 0.000 1.036 10 I CA -0.059 61.239 61.300 -0.002 0.000 1.221 10 I CB 1.194 39.189 38.000 -0.008 0.000 1.385 10 I HN 0.860 nan 8.210 nan 0.000 0.472 11 G N 4.523 113.329 108.800 0.010 0.000 3.306 11 G HA2 0.139 4.099 3.960 -0.001 0.000 0.672 11 G HA3 0.139 4.099 3.960 -0.001 0.000 0.672 11 G C -0.375 174.588 174.900 0.105 0.000 1.212 11 G CA -0.420 44.705 45.100 0.043 0.000 1.150 11 G HN 0.856 nan 8.290 nan 0.000 0.509 12 A N 1.550 124.456 122.820 0.145 0.000 3.258 12 A HA 0.775 5.095 4.320 -0.001 0.000 0.275 12 A C 1.300 179.004 177.584 0.201 0.000 1.452 12 A CA 1.140 53.316 52.037 0.232 0.000 1.120 12 A CB -0.247 18.960 19.000 0.344 0.000 1.107 12 A HN 1.950 nan 8.150 nan 0.000 0.651 13 G N -0.875 108.019 108.800 0.157 0.000 3.008 13 G HA2 0.406 4.365 3.960 -0.001 0.000 0.181 13 G HA3 0.406 4.365 3.960 -0.001 0.000 0.181 13 G C 1.030 175.999 174.900 0.115 0.000 1.309 13 G CA 0.533 45.720 45.100 0.144 0.000 1.009 13 G HN 0.222 nan 8.290 nan 0.000 0.584 14 S N -0.126 115.637 115.700 0.106 0.000 2.351 14 S HA -0.112 4.358 4.470 -0.001 0.000 0.220 14 S C 2.463 177.104 174.600 0.068 0.000 1.035 14 S CA 1.822 60.069 58.200 0.078 0.000 1.031 14 S CB -0.811 62.437 63.200 0.080 0.000 0.928 14 S HN 0.775 nan 8.310 nan 0.000 0.433 15 G N 1.045 109.896 108.800 0.085 0.000 2.433 15 G HA2 -0.036 3.923 3.960 -0.001 0.000 0.216 15 G HA3 -0.036 3.923 3.960 -0.001 0.000 0.216 15 G C 1.456 176.415 174.900 0.099 0.000 1.186 15 G CA 0.937 46.089 45.100 0.087 0.000 0.779 15 G HN 0.571 nan 8.290 nan 0.000 0.543 16 G N 0.508 109.377 108.800 0.114 0.000 2.408 16 G HA2 -0.078 3.882 3.960 -0.001 0.000 0.217 16 G HA3 -0.078 3.882 3.960 -0.001 0.000 0.217 16 G C 1.781 176.768 174.900 0.146 0.000 1.150 16 G CA 0.532 45.712 45.100 0.135 0.000 0.776 16 G HN 0.406 nan 8.290 nan 0.000 0.542 17 L N -0.170 121.125 121.223 0.120 0.000 2.109 17 L HA 0.032 4.371 4.340 -0.001 0.000 0.207 17 L C 2.745 179.653 176.870 0.063 0.000 1.086 17 L CA 1.121 56.013 54.840 0.085 0.000 0.760 17 L CB -0.225 41.815 42.059 -0.030 0.000 0.910 17 L HN 0.228 nan 8.230 nan 0.000 0.437 18 E N 0.770 120.999 120.200 0.049 0.000 2.031 18 E HA -0.204 4.145 4.350 -0.001 0.000 0.193 18 E C 2.134 178.818 176.600 0.139 0.000 0.994 18 E CA 1.696 58.139 56.400 0.071 0.000 0.800 18 E CB -0.109 29.620 29.700 0.048 0.000 0.752 18 E HN 0.344 nan 8.360 nan 0.000 0.447 19 A N 0.351 123.251 122.820 0.133 0.000 1.865 19 A HA -0.082 4.238 4.320 -0.001 0.000 0.217 19 A C 2.501 180.187 177.584 0.170 0.000 1.191 19 A CA 2.108 54.239 52.037 0.156 0.000 0.623 19 A CB -1.588 17.502 19.000 0.149 0.000 0.826 19 A HN 0.430 nan 8.150 nan 0.000 0.444 20 G N -1.143 107.759 108.800 0.170 0.000 2.586 20 G HA2 -0.357 3.602 3.960 -0.001 0.000 0.218 20 G HA3 -0.357 3.602 3.960 -0.001 0.000 0.218 20 G C 1.532 176.507 174.900 0.126 0.000 1.216 20 G CA 1.122 46.319 45.100 0.161 0.000 0.786 20 G HN 0.674 nan 8.290 nan 0.000 0.583 21 W N 1.667 122.924 121.300 -0.073 0.000 2.317 21 W HA -0.192 4.467 4.660 -0.001 0.000 0.318 21 W C 2.294 178.760 176.519 -0.088 0.000 1.227 21 W CA 1.890 59.161 57.345 -0.123 0.000 1.269 21 W CB -0.370 28.990 29.460 -0.167 0.000 1.155 21 W HN 0.206 nan 8.180 nan 0.000 0.484 22 N N 0.508 119.282 118.700 0.124 0.000 2.106 22 N HA -0.131 4.608 4.740 -0.001 0.000 0.188 22 N C 1.963 177.435 175.510 -0.062 0.000 1.029 22 N CA 2.426 55.482 53.050 0.009 0.000 0.848 22 N CB -1.216 37.351 38.487 0.133 0.000 1.007 22 N HN 0.160 nan 8.380 nan 0.000 0.423 23 A N 0.788 123.640 122.820 0.054 0.000 1.892 23 A HA -0.117 4.202 4.320 -0.001 0.000 0.218 23 A C 2.310 179.813 177.584 -0.134 0.000 1.188 23 A CA 2.350 54.395 52.037 0.013 0.000 0.631 23 A CB -1.129 17.851 19.000 -0.034 0.000 0.822 23 A HN 0.345 nan 8.150 nan 0.000 0.447 24 A N -0.843 121.865 122.820 -0.187 0.000 1.855 24 A HA -0.054 4.266 4.320 -0.001 0.000 0.215 24 A C 2.461 179.845 177.584 -0.334 0.000 1.191 24 A CA 2.632 54.525 52.037 -0.239 0.000 0.613 24 A CB -1.247 17.610 19.000 -0.238 0.000 0.829 24 A HN 0.807 nan 8.150 nan 0.000 0.442 25 T N -2.470 111.766 114.554 -0.530 0.000 3.035 25 T HA 0.186 4.535 4.350 -0.001 0.000 0.259 25 T C 1.747 176.187 174.700 -0.433 0.000 1.078 25 T CA 1.042 62.792 62.100 -0.583 0.000 1.132 25 T CB -0.265 68.004 68.868 -0.998 0.000 0.900 25 T HN 0.243 nan 8.240 nan 0.000 0.480 26 L N -1.487 119.448 121.223 -0.480 0.000 2.202 26 L HA 0.259 4.599 4.340 -0.001 0.000 0.205 26 L C 1.517 177.990 176.870 -0.662 0.000 1.083 26 L CA 0.798 55.253 54.840 -0.642 0.000 0.790 26 L CB -0.118 41.367 42.059 -0.955 0.000 0.942 26 L HN 0.206 nan 8.230 nan 0.000 0.452 27 Y N -0.514 119.718 120.300 -0.113 0.000 2.557 27 Y HA 0.380 4.930 4.550 -0.001 0.000 0.247 27 Y C 1.576 177.401 175.900 -0.124 0.000 1.164 27 Y CA -0.280 57.765 58.100 -0.092 0.000 1.218 27 Y CB 0.237 38.663 38.460 -0.057 0.000 1.210 27 Y HN 0.165 nan 8.280 nan 0.000 0.529 28 G N 0.784 109.551 108.800 -0.054 0.000 2.179 28 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.257 28 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.257 28 G C 0.274 175.123 174.900 -0.085 0.000 1.010 28 G CA 0.073 45.131 45.100 -0.069 0.000 0.736 28 G HN 0.146 nan 8.290 nan 0.000 0.513 29 K N -0.107 120.206 120.400 -0.146 0.000 2.168 29 K HA 0.372 4.691 4.320 -0.001 0.000 0.258 29 K C 0.739 177.286 176.600 -0.088 0.000 1.010 29 K CA -0.507 55.658 56.287 -0.204 0.000 0.929 29 K CB 0.881 33.066 32.500 -0.525 0.000 0.998 29 K HN 0.295 nan 8.250 nan 0.000 0.479 30 R N 0.927 121.422 120.500 -0.008 0.000 2.234 30 R HA 0.308 4.648 4.340 -0.001 0.000 0.324 30 R C -0.587 175.878 176.300 0.275 0.000 1.054 30 R CA -0.431 55.755 56.100 0.142 0.000 0.912 30 R CB 0.825 31.199 30.300 0.123 0.000 1.030 30 R HN 0.229 nan 8.270 nan 0.000 0.455 31 V N 2.176 122.264 119.914 0.290 0.000 2.638 31 V HA 0.594 4.714 4.120 -0.001 0.000 0.306 31 V C -0.415 175.688 176.094 0.015 0.000 1.052 31 V CA -0.943 61.450 62.300 0.154 0.000 0.885 31 V CB 1.891 33.771 31.823 0.094 0.000 0.999 31 V HN 0.882 nan 8.190 nan 0.000 0.424 32 A N 4.086 126.680 122.820 -0.376 0.000 2.337 32 A HA 0.927 5.247 4.320 -0.001 0.000 0.329 32 A C -0.936 176.583 177.584 -0.109 0.000 1.146 32 A CA -0.594 51.161 52.037 -0.471 0.000 0.800 32 A CB 1.685 19.906 19.000 -1.298 0.000 1.220 32 A HN 0.727 nan 8.150 nan 0.000 0.472 33 V N 2.610 122.550 119.914 0.044 0.000 2.588 33 V HA 0.484 4.604 4.120 -0.001 0.000 0.304 33 V C -0.454 175.551 176.094 -0.148 0.000 1.042 33 V CA -0.535 61.796 62.300 0.052 0.000 0.877 33 V CB 1.657 33.658 31.823 0.297 0.000 0.996 33 V HN 0.684 nan 8.190 nan 0.000 0.425 34 V N 3.570 123.385 119.914 -0.164 0.000 2.459 34 V HA 0.665 4.784 4.120 -0.001 0.000 0.295 34 V C -0.444 175.496 176.094 -0.258 0.000 1.029 34 V CA -0.324 61.787 62.300 -0.315 0.000 0.874 34 V CB 1.765 33.453 31.823 -0.224 0.000 0.985 34 V HN 0.933 nan 8.190 nan 0.000 0.438 35 D N 1.379 121.563 120.400 -0.360 0.000 2.596 35 D HA 0.349 4.988 4.640 -0.001 0.000 0.262 35 D C 0.452 176.611 176.300 -0.234 0.000 1.210 35 D CA -0.274 53.640 54.000 -0.142 0.000 0.873 35 D CB 2.934 43.854 40.800 0.200 0.000 1.408 35 D HN 0.378 nan 8.370 nan 0.000 0.441 36 V N -1.154 118.554 119.914 -0.343 0.000 3.235 36 V HA 0.318 4.438 4.120 -0.001 0.000 0.259 36 V C 0.478 176.532 176.094 -0.066 0.000 1.133 36 V CA 0.872 62.860 62.300 -0.519 0.000 1.128 36 V CB 0.001 31.088 31.823 -1.227 0.000 0.757 36 V HN 0.379 nan 8.190 nan 0.000 0.469 37 Q N -0.354 119.491 119.800 0.074 0.000 2.435 37 Q HA 0.405 4.744 4.340 -0.001 0.000 0.282 37 Q C 0.488 176.566 176.000 0.130 0.000 1.020 37 Q CA 0.335 56.220 55.803 0.138 0.000 0.820 37 Q CB 2.394 31.216 28.738 0.140 0.000 1.436 37 Q HN 0.402 nan 8.270 nan 0.000 0.395 38 T N -3.026 111.565 114.554 0.062 0.000 3.057 38 T HA 0.160 4.509 4.350 -0.001 0.000 0.254 38 T C 0.664 175.326 174.700 -0.064 0.000 1.094 38 T CA 0.682 62.745 62.100 -0.062 0.000 1.088 38 T CB 0.147 68.967 68.868 -0.080 0.000 0.934 38 T HN 0.463 nan 8.240 nan 0.000 0.497 39 S N 0.769 116.449 115.700 -0.033 0.000 2.671 39 S HA 0.535 5.005 4.470 -0.001 0.000 0.277 39 S C -0.597 173.978 174.600 -0.043 0.000 1.165 39 S CA -1.126 57.054 58.200 -0.032 0.000 0.822 39 S CB 0.880 64.035 63.200 -0.076 0.000 1.150 39 S HN 0.709 nan 8.310 nan 0.000 0.479 40 H N -0.518 118.557 119.070 0.007 0.000 2.757 40 H HA 0.697 5.252 4.556 -0.001 0.000 0.370 40 H C 0.747 176.070 175.328 -0.009 0.000 1.172 40 H CA 0.287 56.365 56.048 0.050 0.000 1.426 40 H CB -0.096 29.728 29.762 0.104 0.000 1.438 40 H HN 1.579 nan 8.280 nan 0.000 0.612 41 G N 0.499 109.295 108.800 -0.007 0.000 2.384 41 G HA2 -0.057 3.903 3.960 -0.001 0.000 0.668 41 G HA3 -0.057 3.903 3.960 -0.001 0.000 0.668 41 G C -3.054 171.359 174.900 -0.813 0.000 1.280 41 G CA -0.801 44.013 45.100 -0.476 0.000 0.992 41 G HN 0.771 nan 8.290 nan 0.000 0.512 42 P HA 0.184 nan 4.420 nan 0.000 0.268 42 P C -1.785 175.114 177.300 -0.668 0.000 1.208 42 P CA -0.494 61.950 63.100 -1.092 0.000 0.777 42 P CB 0.625 31.931 31.700 -0.658 0.000 0.875 43 P HA 0.089 nan 4.420 nan 0.000 0.239 43 P C 0.587 177.522 177.300 -0.608 0.000 1.188 43 P CA 0.983 63.638 63.100 -0.742 0.000 0.794 43 P CB 0.131 31.277 31.700 -0.924 0.000 0.937 44 F N -2.705 117.184 119.950 -0.100 0.000 2.704 44 F HA 0.236 4.762 4.527 -0.001 0.000 0.304 44 F C 1.212 177.241 175.800 0.380 0.000 1.094 44 F CA -0.585 57.546 58.000 0.218 0.000 1.275 44 F CB -0.509 38.609 39.000 0.196 0.000 1.073 44 F HN -0.263 nan 8.300 nan 0.000 0.586 45 Y N -1.190 119.295 120.300 0.308 0.000 2.750 45 Y HA -0.392 4.158 4.550 -0.001 0.000 0.477 45 Y C 1.630 177.683 175.900 0.255 0.000 1.138 45 Y CA 0.117 58.375 58.100 0.263 0.000 2.829 45 Y CB -1.973 36.662 38.460 0.292 0.000 1.073 45 Y HN 0.015 nan 8.280 nan 0.000 0.590 46 A N 1.753 124.850 122.820 0.462 0.000 2.346 46 A HA 0.740 5.060 4.320 -0.001 0.000 0.252 46 A C 0.536 178.259 177.584 0.230 0.000 1.089 46 A CA 0.818 53.041 52.037 0.310 0.000 0.797 46 A CB 0.362 19.553 19.000 0.319 0.000 1.047 46 A HN 1.526 nan 8.150 nan 0.000 0.494 47 A N -0.341 122.581 122.820 0.170 0.000 2.573 47 A HA 0.549 4.869 4.320 -0.001 0.000 0.310 47 A C -0.703 176.960 177.584 0.132 0.000 1.142 47 A CA -0.465 51.650 52.037 0.131 0.000 0.620 47 A CB -0.287 18.779 19.000 0.109 0.000 1.382 47 A HN 2.041 nan 8.150 nan 0.000 0.545 48 L N 1.102 122.387 121.223 0.103 0.000 2.737 48 L HA 0.369 4.708 4.340 -0.001 0.000 0.279 48 L C 1.275 178.262 176.870 0.195 0.000 1.200 48 L CA 2.865 57.764 54.840 0.097 0.000 0.952 48 L CB -0.321 41.646 42.059 -0.153 0.000 1.240 48 L HN 2.259 nan 8.230 nan 0.000 0.486 49 G N 1.843 110.821 108.800 0.297 0.000 2.238 49 G HA2 0.139 4.098 3.960 -0.001 0.000 0.217 49 G HA3 0.139 4.098 3.960 -0.001 0.000 0.217 49 G C 1.200 176.235 174.900 0.225 0.000 0.996 49 G CA 0.130 45.452 45.100 0.369 0.000 0.632 49 G HN 2.140 nan 8.290 nan 0.000 0.503 50 G N -1.452 107.456 108.800 0.180 0.000 2.660 50 G HA2 0.115 4.074 3.960 -0.001 0.000 0.215 50 G HA3 0.115 4.074 3.960 -0.001 0.000 0.215 50 G C 0.710 175.697 174.900 0.145 0.000 1.345 50 G CA 0.784 45.979 45.100 0.158 0.000 0.877 50 G HN 1.196 nan 8.290 nan 0.000 0.549 51 T N -0.479 114.165 114.554 0.149 0.000 2.812 51 T HA -0.104 4.245 4.350 -0.001 0.000 0.264 51 T C 2.473 177.227 174.700 0.090 0.000 1.042 51 T CA 2.398 64.584 62.100 0.143 0.000 1.140 51 T CB -0.547 68.426 68.868 0.175 0.000 0.870 51 T HN 1.057 nan 8.240 nan 0.000 0.445 52 c N 1.288 119.946 118.600 0.098 0.000 2.398 52 c HA -0.073 4.497 4.570 -0.001 0.000 0.276 52 c C 2.737 176.833 174.090 0.011 0.000 1.222 52 c CA 0.731 57.102 56.329 0.070 0.000 1.746 52 c CB -1.214 41.345 42.510 0.082 0.000 2.039 52 c HN 0.359 nan 8.230 nan 0.000 0.470 53 V N 1.572 121.501 119.914 0.025 0.000 2.358 53 V HA -0.144 3.976 4.120 -0.001 0.000 0.246 53 V C 2.337 178.376 176.094 -0.091 0.000 1.047 53 V CA 2.332 64.617 62.300 -0.026 0.000 1.035 53 V CB -0.648 31.186 31.823 0.019 0.000 0.658 53 V HN 0.594 nan 8.190 nan 0.000 0.452 54 N N 0.126 118.796 118.700 -0.050 0.000 2.368 54 N HA 0.007 4.747 4.740 -0.001 0.000 0.178 54 N C 0.867 176.233 175.510 -0.239 0.000 1.021 54 N CA 1.667 54.684 53.050 -0.056 0.000 0.875 54 N CB 0.924 39.472 38.487 0.103 0.000 1.020 54 N HN 0.515 nan 8.380 nan 0.000 0.433 55 V N -2.791 116.951 119.914 -0.287 0.000 2.965 55 V HA 0.722 4.841 4.120 -0.001 0.000 0.403 55 V C 0.174 176.062 176.094 -0.343 0.000 1.393 55 V CA -0.461 61.440 62.300 -0.666 0.000 1.554 55 V CB 0.602 32.339 31.823 -0.144 0.000 1.360 55 V HN 0.176 nan 8.190 nan 0.000 0.657 56 G N -0.213 108.462 108.800 -0.209 0.000 2.894 56 G HA2 0.289 4.249 3.960 -0.001 0.000 0.164 56 G HA3 0.289 4.249 3.960 -0.001 0.000 0.164 56 G C 0.771 175.732 174.900 0.102 0.000 1.180 56 G CA 0.570 45.730 45.100 0.100 0.000 0.997 56 G HN 0.351 nan 8.290 nan 0.000 0.572 57 c N -0.021 118.643 118.600 0.107 0.000 2.385 57 c HA -0.035 4.534 4.570 -0.001 0.000 0.275 57 c C 2.797 176.863 174.090 -0.039 0.000 1.207 57 c CA 1.109 57.477 56.329 0.065 0.000 1.760 57 c CB -1.554 40.994 42.510 0.064 0.000 2.051 57 c HN 0.291 nan 8.230 nan 0.000 0.467 58 V N 2.789 122.665 119.914 -0.064 0.000 2.244 58 V HA -0.109 4.010 4.120 -0.001 0.000 0.244 58 V C 0.397 176.407 176.094 -0.139 0.000 1.042 58 V CA 2.601 64.833 62.300 -0.112 0.000 1.006 58 V CB -1.842 29.913 31.823 -0.113 0.000 0.641 58 V HN 0.398 nan 8.190 nan 0.000 0.446 59 P HA -0.158 nan 4.420 nan 0.000 0.222 59 P C 1.350 178.662 177.300 0.019 0.000 1.153 59 P CA 1.495 64.516 63.100 -0.132 0.000 0.798 59 P CB -0.020 31.505 31.700 -0.291 0.000 0.796 60 K N 1.092 121.558 120.400 0.109 0.000 2.097 60 K HA -0.153 4.167 4.320 -0.001 0.000 0.205 60 K C 2.158 178.639 176.600 -0.200 0.000 1.050 60 K CA 1.593 57.871 56.287 -0.014 0.000 0.938 60 K CB -0.861 31.657 32.500 0.028 0.000 0.718 60 K HN -0.125 nan 8.250 nan 0.000 0.442 61 K N 1.234 121.492 120.400 -0.237 0.000 2.057 61 K HA 0.038 4.358 4.320 -0.001 0.000 0.207 61 K C 1.903 178.343 176.600 -0.267 0.000 1.049 61 K CA 1.450 57.502 56.287 -0.392 0.000 0.931 61 K CB -0.446 31.756 32.500 -0.496 0.000 0.714 61 K HN 0.301 nan 8.250 nan 0.000 0.440 62 L N -0.144 120.963 121.223 -0.193 0.000 2.079 62 L HA -0.186 4.153 4.340 -0.001 0.000 0.210 62 L C 2.512 179.301 176.870 -0.134 0.000 1.081 62 L CA 1.559 56.312 54.840 -0.145 0.000 0.752 62 L CB -0.349 41.625 42.059 -0.142 0.000 0.896 62 L HN 0.280 nan 8.230 nan 0.000 0.433 63 M N -1.429 118.061 119.600 -0.183 0.000 2.236 63 M HA -0.122 4.357 4.480 -0.001 0.000 0.266 63 M C 2.255 178.474 176.300 -0.135 0.000 1.070 63 M CA 0.978 56.145 55.300 -0.221 0.000 1.137 63 M CB -0.146 32.249 32.600 -0.342 0.000 1.378 63 M HN 0.005 nan 8.290 nan 0.000 0.426 64 V N 0.198 120.009 119.914 -0.171 0.000 2.332 64 V HA -0.271 3.849 4.120 -0.001 0.000 0.248 64 V C 2.300 178.362 176.094 -0.053 0.000 1.055 64 V CA 2.308 64.545 62.300 -0.105 0.000 1.038 64 V CB -1.208 30.551 31.823 -0.108 0.000 0.651 64 V HN 0.503 nan 8.190 nan 0.000 0.450 65 T N 0.500 115.008 114.554 -0.077 0.000 2.684 65 T HA -0.171 4.179 4.350 -0.001 0.000 0.267 65 T C 1.938 176.651 174.700 0.021 0.000 1.036 65 T CA 1.735 63.795 62.100 -0.067 0.000 1.148 65 T CB -0.799 68.042 68.868 -0.044 0.000 0.863 65 T HN 0.630 nan 8.240 nan 0.000 0.436 66 G N 1.055 109.965 108.800 0.183 0.000 2.440 66 G HA2 -0.074 3.886 3.960 -0.001 0.000 0.218 66 G HA3 -0.074 3.886 3.960 -0.001 0.000 0.218 66 G C 1.822 176.983 174.900 0.434 0.000 1.154 66 G CA 0.939 46.314 45.100 0.458 0.000 0.767 66 G HN 0.603 nan 8.290 nan 0.000 0.552 67 A N 0.350 123.375 122.820 0.342 0.000 1.969 67 A HA -0.056 4.263 4.320 -0.001 0.000 0.218 67 A C 2.298 179.886 177.584 0.007 0.000 1.169 67 A CA 1.815 53.977 52.037 0.210 0.000 0.635 67 A CB -0.398 18.712 19.000 0.183 0.000 0.810 67 A HN 0.462 nan 8.150 nan 0.000 0.445 68 Q N -1.521 118.222 119.800 -0.096 0.000 2.197 68 Q HA -0.234 4.106 4.340 -0.001 0.000 0.207 68 Q C 1.627 177.408 176.000 -0.364 0.000 0.984 68 Q CA 1.757 57.388 55.803 -0.288 0.000 0.869 68 Q CB -0.411 28.102 28.738 -0.376 0.000 0.906 68 Q HN 0.844 nan 8.270 nan 0.000 0.426 69 Y N 0.096 120.378 120.300 -0.030 0.000 2.315 69 Y HA -0.236 4.313 4.550 -0.001 0.000 0.288 69 Y C 2.189 178.079 175.900 -0.016 0.000 1.154 69 Y CA 1.217 59.335 58.100 0.030 0.000 1.229 69 Y CB -0.328 38.146 38.460 0.023 0.000 0.980 69 Y HN 0.203 nan 8.280 nan 0.000 0.540 70 M N -0.062 119.572 119.600 0.056 0.000 2.086 70 M HA -0.242 4.238 4.480 -0.001 0.000 0.261 70 M C 1.312 177.640 176.300 0.046 0.000 1.067 70 M CA 2.109 57.428 55.300 0.032 0.000 1.116 70 M CB -0.079 32.509 32.600 -0.020 0.000 1.348 70 M HN 0.082 nan 8.290 nan 0.000 0.407 71 D N -0.382 120.000 120.400 -0.030 0.000 2.097 71 D HA -0.182 4.457 4.640 -0.001 0.000 0.195 71 D C 1.948 178.259 176.300 0.019 0.000 0.989 71 D CA 1.365 55.343 54.000 -0.037 0.000 0.827 71 D CB -0.610 40.106 40.800 -0.141 0.000 0.966 71 D HN 0.457 nan 8.370 nan 0.000 0.456 72 H N 0.440 119.545 119.070 0.059 0.000 2.290 72 H HA -0.055 4.501 4.556 -0.001 0.000 0.298 72 H C 2.466 177.865 175.328 0.119 0.000 1.087 72 H CA 0.717 56.802 56.048 0.063 0.000 1.291 72 H CB -0.799 28.977 29.762 0.024 0.000 1.369 72 H HN 0.152 nan 8.280 nan 0.000 0.492 73 L N 0.183 121.576 121.223 0.282 0.000 2.034 73 L HA -0.274 4.066 4.340 -0.001 0.000 0.217 73 L C 2.820 179.935 176.870 0.409 0.000 1.077 73 L CA 1.976 57.008 54.840 0.320 0.000 0.769 73 L CB -0.445 41.790 42.059 0.293 0.000 0.890 73 L HN 0.233 nan 8.230 nan 0.000 0.435 74 R N 0.386 121.049 120.500 0.271 0.000 2.090 74 R HA -0.136 4.203 4.340 -0.001 0.000 0.228 74 R C 2.027 178.469 176.300 0.236 0.000 1.110 74 R CA 1.307 57.536 56.100 0.216 0.000 0.973 74 R CB -0.034 30.356 30.300 0.150 0.000 0.869 74 R HN 0.383 nan 8.270 nan 0.000 0.440 75 E N 0.368 120.722 120.200 0.256 0.000 2.274 75 E HA -0.122 4.228 4.350 -0.001 0.000 0.194 75 E C 1.880 178.719 176.600 0.398 0.000 0.996 75 E CA 1.118 57.701 56.400 0.305 0.000 0.840 75 E CB 0.124 30.010 29.700 0.310 0.000 0.772 75 E HN 0.460 nan 8.360 nan 0.000 0.491 76 S N 1.052 116.969 115.700 0.363 0.000 2.402 76 S HA -0.232 4.238 4.470 -0.001 0.000 0.233 76 S C 2.171 177.115 174.600 0.573 0.000 1.030 76 S CA 1.113 59.566 58.200 0.421 0.000 1.003 76 S CB -0.228 63.145 63.200 0.289 0.000 0.813 76 S HN 0.285 nan 8.310 nan 0.000 0.477 77 A N 1.615 124.678 122.820 0.405 0.000 1.968 77 A HA 0.306 4.625 4.320 -0.001 0.000 0.217 77 A C 2.396 180.109 177.584 0.216 0.000 1.169 77 A CA 1.226 53.430 52.037 0.279 0.000 0.638 77 A CB -1.660 17.416 19.000 0.127 0.000 0.812 77 A HN 0.715 nan 8.150 nan 0.000 0.446 78 G N -1.927 106.992 108.800 0.199 0.000 2.527 78 G HA2 -0.086 3.873 3.960 -0.001 0.000 0.219 78 G HA3 -0.086 3.873 3.960 -0.001 0.000 0.219 78 G C 0.865 175.645 174.900 -0.201 0.000 1.117 78 G CA 0.837 45.933 45.100 -0.007 0.000 0.759 78 G HN 0.485 nan 8.290 nan 0.000 0.556 79 F N -0.614 119.438 119.950 0.169 0.000 2.661 79 F HA 0.396 4.922 4.527 -0.001 0.000 0.306 79 F C 1.690 177.544 175.800 0.091 0.000 1.094 79 F CA 0.249 58.346 58.000 0.162 0.000 1.254 79 F CB 1.136 40.296 39.000 0.267 0.000 1.040 79 F HN 0.176 nan 8.300 nan 0.000 0.562 80 G N -0.840 108.071 108.800 0.186 0.000 2.163 80 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.213 80 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.213 80 G C -0.310 174.555 174.900 -0.059 0.000 0.991 80 G CA -0.827 44.274 45.100 0.001 0.000 0.653 80 G HN 0.193 nan 8.290 nan 0.000 0.518 81 W N 1.299 122.707 121.300 0.180 0.000 2.316 81 W HA 0.657 5.316 4.660 -0.001 0.000 0.311 81 W C 0.582 177.227 176.519 0.211 0.000 1.217 81 W CA -0.277 57.195 57.345 0.212 0.000 1.199 81 W CB 0.745 30.365 29.460 0.266 0.000 1.202 81 W HN 0.128 nan 8.180 nan 0.000 0.528 82 E N 3.357 123.789 120.200 0.387 0.000 2.234 82 E HA 0.584 4.933 4.350 -0.001 0.000 0.266 82 E C -1.008 175.808 176.600 0.360 0.000 0.877 82 E CA -0.880 55.644 56.400 0.206 0.000 0.758 82 E CB 1.789 31.541 29.700 0.086 0.000 1.170 82 E HN 0.291 nan 8.360 nan 0.000 0.415 83 F N -1.081 118.943 119.950 0.123 0.000 2.817 83 F HA 0.342 4.868 4.527 -0.001 0.000 0.317 83 F C -1.086 174.757 175.800 0.073 0.000 1.168 83 F CA -1.469 56.591 58.000 0.100 0.000 0.911 83 F CB 0.626 39.692 39.000 0.111 0.000 1.337 83 F HN 0.146 nan 8.300 nan 0.000 0.464 84 D N 1.119 121.663 120.400 0.239 0.000 2.416 84 D HA 0.264 4.904 4.640 -0.001 0.000 0.240 84 D C 1.383 177.736 176.300 0.088 0.000 1.250 84 D CA 0.565 54.624 54.000 0.098 0.000 0.967 84 D CB 0.987 41.855 40.800 0.114 0.000 1.059 84 D HN 0.877 nan 8.370 nan 0.000 0.512 85 G N 2.359 111.088 108.800 -0.118 0.000 2.479 85 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.220 85 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.220 85 G C 1.377 176.295 174.900 0.031 0.000 1.115 85 G CA 1.017 46.058 45.100 -0.099 0.000 0.757 85 G HN 0.541 nan 8.290 nan 0.000 0.560 86 S N 0.428 116.147 115.700 0.031 0.000 2.524 86 S HA 0.007 4.477 4.470 -0.001 0.000 0.216 86 S C 2.236 176.872 174.600 0.060 0.000 0.987 86 S CA 1.018 59.241 58.200 0.038 0.000 0.909 86 S CB -0.160 63.053 63.200 0.022 0.000 0.781 86 S HN 0.432 nan 8.310 nan 0.000 0.521 87 S N 0.821 116.574 115.700 0.087 0.000 2.561 87 S HA 0.181 4.650 4.470 -0.001 0.000 0.225 87 S C 0.518 175.176 174.600 0.095 0.000 0.977 87 S CA -0.202 58.052 58.200 0.089 0.000 0.926 87 S CB -0.635 62.628 63.200 0.105 0.000 0.769 87 S HN 0.302 nan 8.310 nan 0.000 0.533 88 V N 2.837 122.821 119.914 0.117 0.000 2.479 88 V HA 0.303 4.423 4.120 -0.001 0.000 0.281 88 V C 0.190 176.325 176.094 0.068 0.000 1.031 88 V CA 0.052 62.421 62.300 0.114 0.000 1.038 88 V CB 0.723 32.649 31.823 0.172 0.000 0.981 88 V HN 0.421 nan 8.190 nan 0.000 0.478 89 K N 4.273 124.703 120.400 0.050 0.000 2.371 89 K HA 0.755 5.075 4.320 -0.001 0.000 0.251 89 K C -0.652 175.969 176.600 0.034 0.000 0.934 89 K CA -0.761 55.554 56.287 0.046 0.000 0.798 89 K CB 2.012 34.545 32.500 0.056 0.000 1.204 89 K HN 0.663 nan 8.250 nan 0.000 0.427 90 A N 3.709 126.550 122.820 0.035 0.000 2.391 90 A HA 0.181 4.501 4.320 -0.001 0.000 0.316 90 A C -0.398 177.335 177.584 0.248 0.000 1.381 90 A CA -0.561 51.496 52.037 0.033 0.000 0.998 90 A CB -0.135 18.753 19.000 -0.187 0.000 1.147 90 A HN 0.688 nan 8.150 nan 0.000 0.545 91 N N 3.346 122.202 118.700 0.260 0.000 2.555 91 N HA -0.038 4.701 4.740 -0.001 0.000 0.244 91 N C 0.895 176.633 175.510 0.380 0.000 1.114 91 N CA -0.594 52.621 53.050 0.275 0.000 0.963 91 N CB 0.015 38.594 38.487 0.153 0.000 1.276 91 N HN 0.871 nan 8.380 nan 0.000 0.510 92 W N 4.689 126.135 121.300 0.243 0.000 2.342 92 W HA -0.191 4.468 4.660 -0.001 0.000 0.297 92 W C 0.667 177.190 176.519 0.007 0.000 1.213 92 W CA 1.141 58.532 57.345 0.076 0.000 1.251 92 W CB 0.277 29.797 29.460 0.100 0.000 1.136 92 W HN 0.483 nan 8.180 nan 0.000 0.526 93 K N 0.394 120.912 120.400 0.198 0.000 2.097 93 K HA -0.164 4.156 4.320 -0.001 0.000 0.206 93 K C 2.080 178.648 176.600 -0.054 0.000 1.049 93 K CA 1.465 57.783 56.287 0.051 0.000 0.933 93 K CB -0.328 32.253 32.500 0.135 0.000 0.717 93 K HN 0.075 nan 8.250 nan 0.000 0.442 94 K N 0.806 121.200 120.400 -0.010 0.000 2.097 94 K HA -0.126 4.194 4.320 -0.001 0.000 0.205 94 K C 2.133 178.666 176.600 -0.113 0.000 1.050 94 K CA 0.827 57.091 56.287 -0.038 0.000 0.938 94 K CB -0.176 32.327 32.500 0.005 0.000 0.718 94 K HN 0.016 nan 8.250 nan 0.000 0.442 95 L N 1.537 122.654 121.223 -0.175 0.000 1.989 95 L HA -0.216 4.124 4.340 -0.001 0.000 0.211 95 L C 1.939 178.562 176.870 -0.412 0.000 1.071 95 L CA 1.648 56.301 54.840 -0.311 0.000 0.749 95 L CB -0.368 41.367 42.059 -0.540 0.000 0.890 95 L HN 0.090 nan 8.230 nan 0.000 0.431 96 I N 0.183 120.413 120.570 -0.566 0.000 2.179 96 I HA -0.260 3.909 4.170 -0.001 0.000 0.242 96 I C 2.726 178.695 176.117 -0.246 0.000 1.088 96 I CA 1.545 62.552 61.300 -0.489 0.000 1.357 96 I CB -2.068 35.597 38.000 -0.558 0.000 1.051 96 I HN 0.397 nan 8.210 nan 0.000 0.409 97 A N 0.897 123.619 122.820 -0.163 0.000 1.902 97 A HA -0.123 4.196 4.320 -0.001 0.000 0.217 97 A C 2.596 180.126 177.584 -0.090 0.000 1.181 97 A CA 2.090 54.080 52.037 -0.078 0.000 0.623 97 A CB -0.841 18.133 19.000 -0.044 0.000 0.818 97 A HN 0.417 nan 8.150 nan 0.000 0.443 98 A N -0.032 122.719 122.820 -0.115 0.000 1.883 98 A HA -0.208 4.112 4.320 -0.001 0.000 0.217 98 A C 2.190 179.693 177.584 -0.134 0.000 1.186 98 A CA 2.145 54.117 52.037 -0.109 0.000 0.624 98 A CB -0.471 18.468 19.000 -0.102 0.000 0.822 98 A HN 0.425 nan 8.150 nan 0.000 0.444 99 K N 0.073 120.364 120.400 -0.182 0.000 2.057 99 K HA -0.196 4.123 4.320 -0.001 0.000 0.207 99 K C 1.548 178.003 176.600 -0.241 0.000 1.049 99 K CA 1.930 58.088 56.287 -0.215 0.000 0.931 99 K CB -0.526 31.820 32.500 -0.256 0.000 0.714 99 K HN 0.423 nan 8.250 nan 0.000 0.440 100 N N 1.397 119.976 118.700 -0.201 0.000 2.120 100 N HA -0.161 4.579 4.740 -0.001 0.000 0.188 100 N C 1.737 177.195 175.510 -0.087 0.000 1.024 100 N CA 1.252 54.199 53.050 -0.173 0.000 0.852 100 N CB -0.290 38.247 38.487 0.083 0.000 1.003 100 N HN 0.318 nan 8.380 nan 0.000 0.424 101 E N 0.958 121.124 120.200 -0.056 0.000 2.047 101 E HA 0.026 4.376 4.350 -0.001 0.000 0.191 101 E C 1.782 178.337 176.600 -0.075 0.000 0.987 101 E CA 1.264 57.644 56.400 -0.035 0.000 0.799 101 E CB -0.433 29.244 29.700 -0.038 0.000 0.752 101 E HN 0.285 nan 8.360 nan 0.000 0.449 102 A N 0.030 122.782 122.820 -0.115 0.000 1.908 102 A HA -0.171 4.149 4.320 -0.001 0.000 0.218 102 A C 2.519 180.008 177.584 -0.158 0.000 1.181 102 A CA 1.868 53.828 52.037 -0.129 0.000 0.627 102 A CB -0.828 18.089 19.000 -0.137 0.000 0.818 102 A HN 0.208 nan 8.150 nan 0.000 0.445 103 V N -0.528 119.257 119.914 -0.216 0.000 2.323 103 V HA -0.183 3.937 4.120 -0.001 0.000 0.244 103 V C 2.466 178.482 176.094 -0.131 0.000 1.041 103 V CA 1.758 63.906 62.300 -0.254 0.000 1.025 103 V CB -0.715 30.832 31.823 -0.461 0.000 0.656 103 V HN 0.585 nan 8.190 nan 0.000 0.451 104 L N 0.506 121.717 121.223 -0.020 0.000 2.042 104 L HA -0.216 4.124 4.340 -0.001 0.000 0.210 104 L C 2.105 178.957 176.870 -0.031 0.000 1.076 104 L CA 2.138 57.034 54.840 0.093 0.000 0.749 104 L CB -0.899 41.246 42.059 0.143 0.000 0.893 104 L HN 0.307 nan 8.230 nan 0.000 0.432 105 D N -0.199 120.161 120.400 -0.067 0.000 2.116 105 D HA -0.235 4.405 4.640 -0.001 0.000 0.193 105 D C 2.269 178.474 176.300 -0.158 0.000 0.998 105 D CA 2.110 56.053 54.000 -0.095 0.000 0.836 105 D CB -0.223 40.523 40.800 -0.090 0.000 0.951 105 D HN 0.474 nan 8.370 nan 0.000 0.449 106 I N 0.781 121.215 120.570 -0.226 0.000 2.226 106 I HA -0.266 3.903 4.170 -0.001 0.000 0.245 106 I C 1.892 177.706 176.117 -0.506 0.000 1.100 106 I CA 0.976 62.020 61.300 -0.426 0.000 1.374 106 I CB -0.358 37.351 38.000 -0.485 0.000 1.057 106 I HN 0.008 nan 8.210 nan 0.000 0.413 107 N N 0.893 119.427 118.700 -0.276 0.000 2.043 107 N HA -0.219 4.520 4.740 -0.001 0.000 0.193 107 N C 1.819 177.262 175.510 -0.110 0.000 1.037 107 N CA 1.318 54.272 53.050 -0.160 0.000 0.851 107 N CB -0.107 38.352 38.487 -0.047 0.000 1.027 107 N HN 0.290 nan 8.380 nan 0.000 0.422 108 K N 0.365 120.712 120.400 -0.089 0.000 2.057 108 K HA -0.095 4.225 4.320 -0.001 0.000 0.207 108 K C 2.329 178.911 176.600 -0.030 0.000 1.049 108 K CA 1.137 57.393 56.287 -0.051 0.000 0.931 108 K CB -0.195 32.279 32.500 -0.043 0.000 0.714 108 K HN 0.061 nan 8.250 nan 0.000 0.440 109 S N -0.080 115.581 115.700 -0.065 0.000 2.368 109 S HA -0.156 4.314 4.470 -0.001 0.000 0.225 109 S C 1.883 176.562 174.600 0.132 0.000 1.030 109 S CA 0.985 59.178 58.200 -0.013 0.000 0.999 109 S CB -0.250 62.905 63.200 -0.074 0.000 0.844 109 S HN 0.251 nan 8.310 nan 0.000 0.459 110 Y N 1.782 122.058 120.300 -0.040 0.000 2.224 110 Y HA 0.055 4.605 4.550 -0.001 0.000 0.289 110 Y C 2.549 178.497 175.900 0.080 0.000 1.146 110 Y CA 0.915 59.005 58.100 -0.017 0.000 1.182 110 Y CB -1.297 37.169 38.460 0.010 0.000 0.983 110 Y HN 0.502 nan 8.280 nan 0.000 0.524 111 E N -0.346 119.969 120.200 0.192 0.000 2.070 111 E HA -0.184 4.166 4.350 -0.001 0.000 0.197 111 E C 2.547 179.230 176.600 0.138 0.000 1.004 111 E CA 1.393 57.853 56.400 0.100 0.000 0.805 111 E CB -0.499 29.178 29.700 -0.039 0.000 0.744 111 E HN 0.454 nan 8.360 nan 0.000 0.451 112 G N 0.369 109.226 108.800 0.095 0.000 2.422 112 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.218 112 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.218 112 G C 1.514 176.471 174.900 0.095 0.000 1.146 112 G CA 0.910 46.057 45.100 0.080 0.000 0.769 112 G HN 0.199 nan 8.290 nan 0.000 0.547 113 M N -0.481 119.173 119.600 0.090 0.000 2.108 113 M HA 0.045 4.524 4.480 -0.001 0.000 0.261 113 M C 2.252 178.577 176.300 0.042 0.000 1.066 113 M CA 1.206 56.539 55.300 0.055 0.000 1.107 113 M CB -0.327 32.247 32.600 -0.043 0.000 1.356 113 M HN 0.234 nan 8.290 nan 0.000 0.406 114 F N 0.837 120.838 119.950 0.085 0.000 2.075 114 F HA -0.229 4.297 4.527 -0.001 0.000 0.297 114 F C 2.285 178.114 175.800 0.049 0.000 1.113 114 F CA 1.421 59.466 58.000 0.075 0.000 1.218 114 F CB -0.915 38.119 39.000 0.057 0.000 0.984 114 F HN 0.195 nan 8.300 nan 0.000 0.472 115 N N 0.101 118.939 118.700 0.230 0.000 2.192 115 N HA -0.176 4.563 4.740 -0.001 0.000 0.188 115 N C 1.173 176.739 175.510 0.093 0.000 1.013 115 N CA 1.679 54.805 53.050 0.125 0.000 0.863 115 N CB -0.524 38.012 38.487 0.082 0.000 0.990 115 N HN 0.284 nan 8.380 nan 0.000 0.430 116 D N -0.807 119.646 120.400 0.087 0.000 2.367 116 D HA 0.066 4.706 4.640 -0.001 0.000 0.207 116 D C -0.139 176.185 176.300 0.040 0.000 1.034 116 D CA 0.470 54.505 54.000 0.058 0.000 0.861 116 D CB 0.217 41.051 40.800 0.058 0.000 0.943 116 D HN 0.053 nan 8.370 nan 0.000 0.515 117 T N 1.087 115.665 114.554 0.040 0.000 2.749 117 T HA 0.225 4.575 4.350 -0.001 0.000 0.287 117 T C 0.045 174.730 174.700 -0.025 0.000 0.970 117 T CA -0.569 61.514 62.100 -0.028 0.000 0.980 117 T CB 2.004 70.815 68.868 -0.095 0.000 0.924 117 T HN -0.195 nan 8.240 nan 0.000 0.456 118 E N 1.916 122.087 120.200 -0.048 0.000 2.417 118 E HA 0.377 4.727 4.350 -0.001 0.000 0.261 118 E C 1.284 177.864 176.600 -0.033 0.000 1.000 118 E CA 1.198 57.582 56.400 -0.027 0.000 0.919 118 E CB -0.154 29.524 29.700 -0.036 0.000 0.955 118 E HN 0.898 nan 8.360 nan 0.000 0.455 119 G N 3.467 112.286 108.800 0.032 0.000 2.143 119 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.249 119 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.249 119 G C -0.370 174.590 174.900 0.099 0.000 0.981 119 G CA 0.244 45.383 45.100 0.066 0.000 0.665 119 G HN 0.490 nan 8.290 nan 0.000 0.528 120 L N 1.287 122.575 121.223 0.108 0.000 2.388 120 L HA 0.746 5.085 4.340 -0.001 0.000 0.267 120 L C -1.304 175.779 176.870 0.354 0.000 0.995 120 L CA -1.119 53.823 54.840 0.170 0.000 0.864 120 L CB 1.492 43.557 42.059 0.009 0.000 1.216 120 L HN 0.042 nan 8.230 nan 0.000 0.430 121 D N 3.550 124.166 120.400 0.361 0.000 2.350 121 D HA 0.410 5.050 4.640 -0.001 0.000 0.245 121 D C -1.280 175.036 176.300 0.027 0.000 1.036 121 D CA 0.194 54.325 54.000 0.218 0.000 0.848 121 D CB 1.934 42.843 40.800 0.182 0.000 1.307 121 D HN 0.287 nan 8.370 nan 0.000 0.469 122 F N 2.103 121.746 119.950 -0.512 0.000 2.469 122 F HA 0.612 5.139 4.527 -0.001 0.000 0.332 122 F C -1.475 173.847 175.800 -0.797 0.000 1.103 122 F CA -0.769 56.742 58.000 -0.816 0.000 0.979 122 F CB 0.629 38.831 39.000 -1.331 0.000 1.137 122 F HN 0.141 nan 8.300 nan 0.000 0.463 123 F N 6.635 125.899 119.950 -1.143 0.000 2.507 123 F HA 0.465 4.992 4.527 -0.001 0.000 0.325 123 F C -0.915 174.205 175.800 -1.132 0.000 1.116 123 F CA -1.023 56.480 58.000 -0.827 0.000 0.930 123 F CB 1.787 40.511 39.000 -0.460 0.000 1.146 123 F HN 0.338 nan 8.300 nan 0.000 0.447 124 L N 3.651 124.592 121.223 -0.471 0.000 2.265 124 L HA 0.876 5.216 4.340 -0.001 0.000 0.288 124 L C 0.044 176.830 176.870 -0.141 0.000 1.058 124 L CA 0.524 55.204 54.840 -0.267 0.000 0.809 124 L CB 0.249 42.330 42.059 0.037 0.000 1.179 124 L HN 0.778 nan 8.230 nan 0.000 0.429 125 G N 3.094 111.774 108.800 -0.199 0.000 2.339 125 G HA2 0.002 3.962 3.960 -0.001 0.000 0.275 125 G HA3 0.002 3.962 3.960 -0.001 0.000 0.275 125 G C -2.155 172.572 174.900 -0.289 0.000 1.323 125 G CA -0.774 44.259 45.100 -0.113 0.000 0.927 125 G HN 0.446 nan 8.290 nan 0.000 0.486 126 W N 1.212 122.433 121.300 -0.130 0.000 2.329 126 W HA 0.608 5.268 4.660 0.000 0.000 0.312 126 W C 0.634 177.080 176.519 -0.121 0.000 1.054 126 W CA 0.224 57.480 57.345 -0.150 0.000 1.245 126 W CB 1.791 31.145 29.460 -0.176 0.000 1.255 126 W HN 0.855 nan 8.180 nan 0.000 0.436 127 G N 2.083 110.894 108.800 0.018 0.000 2.356 127 G HA2 0.583 4.542 3.960 -0.001 0.000 0.298 127 G HA3 0.583 4.542 3.960 -0.001 0.000 0.298 127 G C -0.508 174.408 174.900 0.027 0.000 1.145 127 G CA -0.423 44.668 45.100 -0.014 0.000 0.850 127 G HN 0.431 nan 8.290 nan 0.000 0.487 128 S N 0.589 116.296 115.700 0.011 0.000 2.671 128 S HA 0.659 5.128 4.470 -0.001 0.000 0.277 128 S C -1.337 173.258 174.600 -0.007 0.000 1.165 128 S CA -0.915 57.291 58.200 0.010 0.000 0.822 128 S CB 1.555 64.763 63.200 0.014 0.000 1.150 128 S HN 0.337 nan 8.310 nan 0.000 0.479 129 L N 1.976 123.195 121.223 -0.007 0.000 2.260 129 L HA 0.540 4.879 4.340 -0.001 0.000 0.289 129 L C 1.349 178.210 176.870 -0.016 0.000 1.057 129 L CA 0.163 54.995 54.840 -0.014 0.000 0.811 129 L CB 0.655 42.706 42.059 -0.013 0.000 1.184 129 L HN 1.069 nan 8.230 nan 0.000 0.429 130 E N 1.725 121.914 120.200 -0.019 0.000 2.075 130 E HA 0.051 4.401 4.350 -0.001 0.000 0.190 130 E C 0.164 176.753 176.600 -0.019 0.000 0.969 130 E CA 0.721 57.110 56.400 -0.018 0.000 0.815 130 E CB 0.556 30.244 29.700 -0.019 0.000 0.776 130 E HN 0.721 nan 8.360 nan 0.000 0.457 131 S N -1.340 114.347 115.700 -0.021 0.000 2.688 131 S HA 0.181 4.651 4.470 -0.001 0.000 0.275 131 S C 0.292 174.875 174.600 -0.029 0.000 1.175 131 S CA -0.529 57.657 58.200 -0.023 0.000 0.818 131 S CB 1.008 64.195 63.200 -0.022 0.000 1.157 131 S HN 0.225 nan 8.310 nan 0.000 0.482 132 K N 0.096 120.475 120.400 -0.035 0.000 2.442 132 K HA 0.045 4.365 4.320 -0.001 0.000 0.198 132 K C 0.227 176.797 176.600 -0.049 0.000 1.042 132 K CA 1.603 57.861 56.287 -0.048 0.000 0.958 132 K CB -0.613 31.852 32.500 -0.059 0.000 0.766 132 K HN 0.542 nan 8.250 nan 0.000 0.474 133 N N 0.142 118.821 118.700 -0.035 0.000 2.200 133 N HA 0.137 4.876 4.740 -0.001 0.000 0.224 133 N C -1.636 173.869 175.510 -0.009 0.000 1.179 133 N CA -0.319 52.716 53.050 -0.025 0.000 0.877 133 N CB 1.795 40.265 38.487 -0.028 0.000 1.072 133 N HN -0.110 nan 8.380 nan 0.000 0.519 134 V N 1.065 120.971 119.914 -0.014 0.000 2.623 134 V HA 0.389 4.509 4.120 -0.001 0.000 0.304 134 V C -0.600 175.482 176.094 -0.020 0.000 1.054 134 V CA -0.865 61.427 62.300 -0.013 0.000 0.882 134 V CB 2.333 34.146 31.823 -0.016 0.000 1.002 134 V HN -0.241 nan 8.190 nan 0.000 0.424 135 V N 5.589 125.485 119.914 -0.029 0.000 2.398 135 V HA 0.489 4.609 4.120 -0.001 0.000 0.286 135 V C -0.087 175.969 176.094 -0.063 0.000 1.026 135 V CA -0.494 61.778 62.300 -0.046 0.000 0.868 135 V CB 1.959 33.743 31.823 -0.064 0.000 0.982 135 V HN 0.630 nan 8.190 nan 0.000 0.443 136 V N 5.726 125.612 119.914 -0.048 0.000 2.532 136 V HA 0.480 4.600 4.120 -0.001 0.000 0.295 136 V C -0.099 175.968 176.094 -0.045 0.000 1.041 136 V CA -0.592 61.681 62.300 -0.045 0.000 0.926 136 V CB 1.892 33.701 31.823 -0.024 0.000 0.992 136 V HN 0.573 nan 8.190 nan 0.000 0.457 137 V N 5.787 125.669 119.914 -0.052 0.000 2.384 137 V HA 0.538 4.658 4.120 -0.001 0.000 0.287 137 V C 0.140 176.245 176.094 0.019 0.000 1.020 137 V CA -0.613 61.667 62.300 -0.032 0.000 0.850 137 V CB 1.451 33.224 31.823 -0.084 0.000 0.987 137 V HN 0.850 nan 8.190 nan 0.000 0.436 138 R N 2.405 122.947 120.500 0.070 0.000 2.856 138 R HA 0.486 4.826 4.340 -0.001 0.000 0.258 138 R C 0.676 177.061 176.300 0.141 0.000 1.066 138 R CA -0.797 55.348 56.100 0.075 0.000 1.045 138 R CB 1.820 32.142 30.300 0.036 0.000 1.178 138 R HN 0.664 nan 8.270 nan 0.000 0.499 139 E N 0.139 120.396 120.200 0.095 0.000 2.208 139 E HA -0.080 4.269 4.350 -0.001 0.000 0.193 139 E C 0.385 177.074 176.600 0.149 0.000 0.988 139 E CA 1.259 57.738 56.400 0.132 0.000 0.828 139 E CB 0.367 30.112 29.700 0.075 0.000 0.763 139 E HN 0.613 nan 8.360 nan 0.000 0.478 140 T N -5.038 109.460 114.554 -0.093 0.000 2.754 140 T HA 0.525 4.874 4.350 -0.001 0.000 0.296 140 T C 0.688 174.786 174.700 -1.003 0.000 1.205 140 T CA -0.309 61.406 62.100 -0.641 0.000 1.009 140 T CB 1.396 70.029 68.868 -0.392 0.000 1.368 140 T HN -0.139 nan 8.240 nan 0.000 0.509 141 A N 0.006 121.825 122.820 -1.669 0.000 2.125 141 A HA 0.103 4.422 4.320 -0.001 0.000 0.219 141 A C 1.002 178.277 177.584 -0.516 0.000 1.156 141 A CA 1.024 52.352 52.037 -1.182 0.000 0.671 141 A CB -0.947 17.243 19.000 -1.350 0.000 0.794 141 A HN 0.836 nan 8.150 nan 0.000 0.459 142 D N 0.058 120.211 120.400 -0.412 0.000 2.371 142 D HA 0.133 4.773 4.640 -0.001 0.000 0.256 142 D C -1.655 174.549 176.300 -0.161 0.000 1.193 142 D CA -1.904 51.959 54.000 -0.228 0.000 0.881 142 D CB 1.172 41.867 40.800 -0.175 0.000 1.143 142 D HN 0.088 nan 8.370 nan 0.000 0.473 143 P HA -0.071 nan 4.420 nan 0.000 0.231 143 P C 0.473 177.737 177.300 -0.059 0.000 1.158 143 P CA 0.827 63.882 63.100 -0.074 0.000 0.763 143 P CB 0.234 31.900 31.700 -0.057 0.000 0.805 144 K N -0.202 120.159 120.400 -0.065 0.000 2.404 144 K HA 0.102 4.422 4.320 -0.001 0.000 0.194 144 K C 1.056 177.629 176.600 -0.045 0.000 1.023 144 K CA -0.008 56.251 56.287 -0.047 0.000 1.094 144 K CB 0.133 32.607 32.500 -0.043 0.000 0.841 144 K HN 0.229 nan 8.250 nan 0.000 0.523 145 S N 0.634 116.299 115.700 -0.059 0.000 2.634 145 S HA 0.412 4.881 4.470 -0.001 0.000 0.261 145 S C 0.375 174.962 174.600 -0.021 0.000 1.271 145 S CA -1.004 57.168 58.200 -0.046 0.000 0.985 145 S CB 1.107 64.264 63.200 -0.071 0.000 0.968 145 S HN 0.165 nan 8.310 nan 0.000 0.568 146 A N 0.733 123.551 122.820 -0.004 0.000 2.425 146 A HA 0.486 4.805 4.320 -0.001 0.000 0.249 146 A C 0.054 177.648 177.584 0.017 0.000 1.084 146 A CA -0.690 51.352 52.037 0.008 0.000 0.781 146 A CB -0.239 18.771 19.000 0.017 0.000 1.019 146 A HN 0.834 nan 8.150 nan 0.000 0.490 147 V N 4.084 124.007 119.914 0.015 0.000 2.470 147 V HA 0.048 4.168 4.120 -0.001 0.000 0.276 147 V C 1.082 177.194 176.094 0.030 0.000 1.040 147 V CA 0.332 62.642 62.300 0.017 0.000 1.008 147 V CB 0.614 32.442 31.823 0.008 0.000 0.990 147 V HN 1.056 nan 8.190 nan 0.000 0.477 148 K N 2.777 123.198 120.400 0.034 0.000 2.202 148 K HA 0.214 4.534 4.320 -0.001 0.000 0.201 148 K C 0.269 176.893 176.600 0.041 0.000 1.051 148 K CA 0.551 56.867 56.287 0.049 0.000 0.977 148 K CB 0.404 32.938 32.500 0.058 0.000 0.792 148 K HN 0.633 nan 8.250 nan 0.000 0.469 149 E N 0.132 120.332 120.200 0.000 0.000 2.407 149 E HA 0.307 4.657 4.350 -0.001 0.000 0.279 149 E C -1.216 175.341 176.600 -0.073 0.000 1.012 149 E CA -0.545 55.831 56.400 -0.040 0.000 0.800 149 E CB 2.273 31.896 29.700 -0.129 0.000 1.276 149 E HN -0.020 nan 8.360 nan 0.000 0.452 150 R N 1.061 121.516 120.500 -0.074 0.000 2.534 150 R HA 0.593 4.932 4.340 -0.001 0.000 0.301 150 R C -0.646 175.599 176.300 -0.092 0.000 0.961 150 R CA -0.612 55.445 56.100 -0.073 0.000 0.871 150 R CB 1.335 31.614 30.300 -0.034 0.000 1.170 150 R HN 0.292 nan 8.270 nan 0.000 0.446 151 L N 3.954 125.121 121.223 -0.093 0.000 2.316 151 L HA 0.382 4.722 4.340 -0.001 0.000 0.280 151 L C -0.276 176.626 176.870 0.054 0.000 1.006 151 L CA -0.786 54.036 54.840 -0.029 0.000 0.836 151 L CB 1.838 43.776 42.059 -0.201 0.000 1.221 151 L HN 0.460 nan 8.230 nan 0.000 0.418 152 Q N 2.646 122.504 119.800 0.097 0.000 2.293 152 Q HA 0.690 5.030 4.340 -0.001 0.000 0.251 152 Q C -0.319 175.772 176.000 0.152 0.000 0.930 152 Q CA -0.366 55.478 55.803 0.070 0.000 0.893 152 Q CB 1.959 30.705 28.738 0.014 0.000 1.215 152 Q HN 0.709 nan 8.270 nan 0.000 0.425 153 A N 2.064 124.946 122.820 0.104 0.000 2.408 153 A HA 0.301 4.621 4.320 -0.001 0.000 0.295 153 A C -0.621 177.006 177.584 0.072 0.000 1.040 153 A CA -0.716 51.406 52.037 0.141 0.000 0.707 153 A CB 1.214 20.287 19.000 0.121 0.000 1.235 153 A HN 0.711 nan 8.150 nan 0.000 0.418 154 D N 0.644 121.097 120.400 0.088 0.000 2.149 154 D HA 0.005 4.645 4.640 -0.001 0.000 0.201 154 D C 0.143 176.277 176.300 -0.276 0.000 0.972 154 D CA 1.699 55.656 54.000 -0.072 0.000 0.835 154 D CB 0.094 40.891 40.800 -0.006 0.000 0.966 154 D HN 0.650 nan 8.370 nan 0.000 0.476 155 H N -0.973 118.214 119.070 0.195 0.000 2.717 155 H HA 0.493 5.048 4.556 -0.001 0.000 0.366 155 H C -0.363 175.071 175.328 0.177 0.000 1.132 155 H CA -0.581 55.593 56.048 0.210 0.000 1.180 155 H CB 2.100 32.136 29.762 0.458 0.000 1.678 155 H HN -0.152 nan 8.280 nan 0.000 0.537 156 I N 3.279 123.951 120.570 0.170 0.000 2.447 156 I HA 0.088 4.257 4.170 -0.001 0.000 0.287 156 I C -0.859 175.363 176.117 0.176 0.000 1.023 156 I CA -0.805 60.572 61.300 0.129 0.000 1.083 156 I CB 2.347 40.363 38.000 0.026 0.000 1.245 156 I HN 0.120 nan 8.210 nan 0.000 0.434 157 L N 8.009 129.368 121.223 0.227 0.000 2.272 157 L HA 0.541 4.881 4.340 -0.001 0.000 0.289 157 L C -0.917 176.039 176.870 0.143 0.000 1.032 157 L CA -0.195 54.788 54.840 0.238 0.000 0.810 157 L CB 1.083 43.295 42.059 0.255 0.000 1.205 157 L HN 0.416 nan 8.230 nan 0.000 0.422 158 L N 6.131 127.431 121.223 0.127 0.000 2.265 158 L HA 0.711 5.051 4.340 -0.001 0.000 0.288 158 L C 0.471 177.404 176.870 0.104 0.000 1.058 158 L CA -0.240 54.655 54.840 0.093 0.000 0.809 158 L CB 1.145 43.249 42.059 0.074 0.000 1.179 158 L HN 0.832 nan 8.230 nan 0.000 0.429 159 A N 0.982 123.858 122.820 0.093 0.000 3.106 159 A HA 0.238 4.557 4.320 -0.001 0.000 0.227 159 A C 0.855 178.494 177.584 0.092 0.000 0.920 159 A CA -0.116 51.982 52.037 0.102 0.000 1.088 159 A CB -0.104 18.964 19.000 0.112 0.000 1.233 159 A HN 0.725 nan 8.150 nan 0.000 0.503 160 T N -3.111 111.492 114.554 0.082 0.000 3.148 160 T HA 0.437 4.786 4.350 -0.001 0.000 0.253 160 T C 1.404 176.172 174.700 0.113 0.000 1.134 160 T CA 1.142 63.286 62.100 0.073 0.000 1.051 160 T CB -0.191 68.707 68.868 0.050 0.000 0.959 160 T HN 2.062 nan 8.240 nan 0.000 0.525 161 G N 1.769 110.647 108.800 0.130 0.000 2.528 161 G HA2 -0.129 3.831 3.960 -0.001 0.000 0.262 161 G HA3 -0.129 3.831 3.960 -0.001 0.000 0.262 161 G C 0.019 175.033 174.900 0.190 0.000 1.200 161 G CA 0.195 45.392 45.100 0.162 0.000 0.951 161 G HN 1.522 nan 8.290 nan 0.000 0.566 162 S N -1.594 114.252 115.700 0.243 0.000 2.811 162 S HA 0.827 5.297 4.470 -0.001 0.000 0.311 162 S C -0.866 173.997 174.600 0.439 0.000 1.152 162 S CA 0.145 58.513 58.200 0.280 0.000 0.864 162 S CB 2.662 65.993 63.200 0.219 0.000 1.226 162 S HN 1.722 nan 8.310 nan 0.000 0.541 163 W N 0.600 121.968 121.300 0.113 0.000 3.296 163 W HA 0.418 5.077 4.660 -0.001 0.000 0.314 163 W C -3.423 173.150 176.519 0.090 0.000 1.238 163 W CA -2.120 55.292 57.345 0.112 0.000 1.193 163 W CB 1.827 31.358 29.460 0.118 0.000 1.383 163 W HN 0.490 nan 8.180 nan 0.000 0.545 164 P HA 0.020 nan 4.420 nan 0.000 0.271 164 P C -1.020 176.245 177.300 -0.059 0.000 1.216 164 P CA 0.352 63.307 63.100 -0.241 0.000 0.776 164 P CB 0.760 32.229 31.700 -0.386 0.000 0.881 165 Q N 2.897 122.702 119.800 0.009 0.000 2.256 165 Q HA 0.407 4.746 4.340 -0.001 0.000 0.254 165 Q C -1.054 174.962 176.000 0.027 0.000 0.916 165 Q CA -0.449 55.390 55.803 0.059 0.000 0.932 165 Q CB 0.472 29.251 28.738 0.069 0.000 1.207 165 Q HN 0.295 nan 8.270 nan 0.000 0.426 166 M N 5.926 125.552 119.600 0.045 0.000 2.114 166 M HA 0.401 4.881 4.480 -0.001 0.000 0.332 166 M C -2.259 174.058 176.300 0.028 0.000 1.014 166 M CA -2.433 52.881 55.300 0.024 0.000 0.956 166 M CB 0.835 33.453 32.600 0.030 0.000 1.551 166 M HN 0.593 nan 8.290 nan 0.000 0.427 167 P HA 0.269 nan 4.420 nan 0.000 0.271 167 P C -0.737 176.568 177.300 0.009 0.000 1.218 167 P CA -0.382 62.727 63.100 0.016 0.000 0.780 167 P CB 0.618 32.324 31.700 0.010 0.000 0.901 168 A N 4.323 127.149 122.820 0.011 0.000 2.798 168 A HA 0.488 4.808 4.320 -0.001 0.000 0.316 168 A C 0.649 178.232 177.584 -0.002 0.000 1.506 168 A CA -0.642 51.399 52.037 0.006 0.000 1.162 168 A CB -1.193 17.813 19.000 0.011 0.000 1.138 168 A HN 0.575 nan 8.150 nan 0.000 0.532 169 I N -1.180 119.385 120.570 -0.010 0.000 2.740 169 I HA 0.663 4.832 4.170 -0.001 0.000 0.303 169 I C -2.862 173.244 176.117 -0.017 0.000 1.044 169 I CA -3.217 58.074 61.300 -0.015 0.000 1.064 169 I CB 1.975 39.959 38.000 -0.026 0.000 1.249 169 I HN 0.099 nan 8.210 nan 0.000 0.433 170 P HA 0.141 nan 4.420 nan 0.000 0.264 170 P C 0.706 178.008 177.300 0.004 0.000 1.193 170 P CA 0.917 64.014 63.100 -0.005 0.000 0.763 170 P CB 0.525 32.228 31.700 0.005 0.000 0.810 171 G N 2.975 111.770 108.800 -0.010 0.000 2.143 171 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.248 171 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.248 171 G C 0.800 175.659 174.900 -0.067 0.000 0.991 171 G CA 0.139 45.240 45.100 0.002 0.000 0.689 171 G HN 0.549 nan 8.290 nan 0.000 0.522 172 I N 1.751 122.277 120.570 -0.075 0.000 2.423 172 I HA -0.108 4.062 4.170 -0.001 0.000 0.254 172 I C 2.588 178.646 176.117 -0.099 0.000 1.151 172 I CA 2.305 63.568 61.300 -0.061 0.000 1.421 172 I CB -0.116 37.861 38.000 -0.037 0.000 1.079 172 I HN 0.521 nan 8.210 nan 0.000 0.431 173 E N -0.524 119.559 120.200 -0.194 0.000 2.333 173 E HA -0.257 4.092 4.350 -0.001 0.000 0.198 173 E C 1.215 177.677 176.600 -0.229 0.000 1.007 173 E CA 1.311 57.583 56.400 -0.212 0.000 0.845 173 E CB -0.910 28.637 29.700 -0.254 0.000 0.766 173 E HN 0.612 nan 8.360 nan 0.000 0.507 174 H N -0.176 118.884 119.070 -0.016 0.000 2.539 174 H HA 0.191 4.747 4.556 -0.001 0.000 0.267 174 H C 0.462 175.767 175.328 -0.037 0.000 0.982 174 H CA 0.002 56.036 56.048 -0.024 0.000 1.146 174 H CB -0.104 29.641 29.762 -0.029 0.000 1.382 174 H HN 0.145 nan 8.280 nan 0.000 0.577 175 C N 1.367 120.686 119.300 0.031 0.000 2.349 175 C HA 0.616 5.075 4.460 -0.001 0.000 0.361 175 C C 1.097 176.071 174.990 -0.027 0.000 1.189 175 C CA -0.788 58.224 59.018 -0.010 0.000 2.155 175 C CB 1.322 29.045 27.740 -0.028 0.000 2.336 175 C HN 0.419 nan 8.230 nan 0.000 0.540 176 I N -0.099 120.438 120.570 -0.056 0.000 3.294 176 I HA 0.868 5.037 4.170 -0.001 0.000 0.311 176 I C -0.049 175.991 176.117 -0.128 0.000 1.111 176 I CA -0.252 61.001 61.300 -0.078 0.000 0.976 176 I CB 1.924 39.881 38.000 -0.071 0.000 1.260 176 I HN 0.672 nan 8.210 nan 0.000 0.474 177 S N 0.107 115.695 115.700 -0.185 0.000 2.798 177 S HA 0.385 4.855 4.470 -0.001 0.000 0.312 177 S C 0.941 175.344 174.600 -0.328 0.000 1.122 177 S CA 0.029 58.078 58.200 -0.250 0.000 0.949 177 S CB 1.110 64.129 63.200 -0.303 0.000 1.235 177 S HN 0.898 nan 8.310 nan 0.000 0.552 178 S N 1.216 116.681 115.700 -0.391 0.000 2.400 178 S HA -0.198 4.271 4.470 -0.001 0.000 0.232 178 S C 1.468 175.933 174.600 -0.226 0.000 1.025 178 S CA 1.361 59.236 58.200 -0.541 0.000 0.993 178 S CB -1.058 61.961 63.200 -0.302 0.000 0.808 178 S HN 0.675 nan 8.310 nan 0.000 0.478 179 N N 2.174 120.738 118.700 -0.226 0.000 2.043 179 N HA -0.101 4.639 4.740 -0.001 0.000 0.193 179 N C 1.697 177.121 175.510 -0.143 0.000 1.037 179 N CA 1.890 54.779 53.050 -0.268 0.000 0.851 179 N CB -0.600 37.294 38.487 -0.990 0.000 1.027 179 N HN 0.552 nan 8.380 nan 0.000 0.422 180 E N 0.679 120.732 120.200 -0.245 0.000 2.204 180 E HA 0.060 4.409 4.350 -0.001 0.000 0.194 180 E C 1.886 178.601 176.600 0.191 0.000 0.989 180 E CA 0.800 57.248 56.400 0.079 0.000 0.824 180 E CB -0.315 29.404 29.700 0.032 0.000 0.756 180 E HN 0.360 nan 8.360 nan 0.000 0.477 181 A N 0.390 123.201 122.820 -0.014 0.000 1.917 181 A HA -0.201 4.119 4.320 -0.001 0.000 0.219 181 A C 1.764 179.425 177.584 0.128 0.000 1.182 181 A CA 1.270 53.290 52.037 -0.028 0.000 0.633 181 A CB -0.911 17.705 19.000 -0.641 0.000 0.819 181 A HN 0.269 nan 8.150 nan 0.000 0.448 182 F N -1.998 118.024 119.950 0.120 0.000 2.373 182 F HA -0.138 4.389 4.527 -0.001 0.000 0.300 182 F C 1.293 176.857 175.800 -0.395 0.000 1.080 182 F CA 1.243 59.167 58.000 -0.126 0.000 1.417 182 F CB -0.365 38.470 39.000 -0.276 0.000 1.070 182 F HN 0.363 nan 8.300 nan 0.000 0.546 183 Y N -1.273 119.266 120.300 0.398 0.000 2.588 183 Y HA 0.316 4.866 4.550 -0.001 0.000 0.247 183 Y C 0.458 176.556 175.900 0.329 0.000 1.157 183 Y CA -0.837 57.462 58.100 0.331 0.000 1.215 183 Y CB -0.205 38.450 38.460 0.325 0.000 1.245 183 Y HN -0.267 nan 8.280 nan 0.000 0.534 184 L N 4.109 125.625 121.223 0.489 0.000 2.559 184 L HA -0.013 4.326 4.340 -0.001 0.000 0.274 184 L C -1.124 176.046 176.870 0.499 0.000 1.205 184 L CA -0.953 54.136 54.840 0.416 0.000 0.907 184 L CB 0.637 42.898 42.059 0.336 0.000 1.153 184 L HN 0.024 nan 8.230 nan 0.000 0.490 185 P HA -0.065 nan 4.420 nan 0.000 0.223 185 P C -0.094 177.386 177.300 0.301 0.000 1.151 185 P CA 1.161 64.432 63.100 0.285 0.000 0.787 185 P CB 0.446 32.252 31.700 0.176 0.000 0.788 186 E N -0.099 120.198 120.200 0.161 0.000 2.314 186 E HA 0.315 4.665 4.350 -0.001 0.000 0.272 186 E C -2.758 173.582 176.600 -0.434 0.000 0.884 186 E CA -2.643 53.754 56.400 -0.005 0.000 0.753 186 E CB 2.391 32.087 29.700 -0.006 0.000 1.213 186 E HN -0.009 nan 8.360 nan 0.000 0.432 187 P HA 0.119 nan 4.420 nan 0.000 0.271 187 P C -2.515 174.508 177.300 -0.462 0.000 1.220 187 P CA -1.262 61.272 63.100 -0.944 0.000 0.768 187 P CB -0.190 31.177 31.700 -0.556 0.000 0.848 188 P HA 0.117 nan 4.420 nan 0.000 0.267 188 P C 0.962 178.111 177.300 -0.252 0.000 1.205 188 P CA -0.050 62.828 63.100 -0.370 0.000 0.765 188 P CB 1.057 32.436 31.700 -0.535 0.000 0.828 189 R N 3.307 123.707 120.500 -0.166 0.000 2.066 189 R HA -0.055 4.284 4.340 -0.001 0.000 0.232 189 R C 0.362 176.597 176.300 -0.109 0.000 1.131 189 R CA 1.130 57.166 56.100 -0.106 0.000 0.955 189 R CB 0.201 30.456 30.300 -0.075 0.000 0.851 189 R HN 0.480 nan 8.270 nan 0.000 0.432 190 R N -0.003 120.421 120.500 -0.127 0.000 2.494 190 R HA 0.420 4.759 4.340 -0.001 0.000 0.305 190 R C -1.491 174.703 176.300 -0.176 0.000 0.959 190 R CA -0.486 55.543 56.100 -0.117 0.000 0.864 190 R CB 2.743 32.997 30.300 -0.076 0.000 1.159 190 R HN -0.001 nan 8.270 nan 0.000 0.446 191 V N 4.413 124.221 119.914 -0.177 0.000 2.841 191 V HA 0.520 4.639 4.120 -0.001 0.000 0.310 191 V C -1.798 174.228 176.094 -0.113 0.000 1.090 191 V CA -1.014 61.144 62.300 -0.237 0.000 0.930 191 V CB 2.153 33.665 31.823 -0.519 0.000 1.014 191 V HN 0.598 nan 8.190 nan 0.000 0.425 192 L N 6.304 127.475 121.223 -0.086 0.000 2.298 192 L HA 0.776 5.115 4.340 -0.001 0.000 0.284 192 L C 0.178 177.049 176.870 0.002 0.000 1.013 192 L CA 0.313 55.149 54.840 -0.007 0.000 0.824 192 L CB 1.679 43.747 42.059 0.015 0.000 1.221 192 L HN 0.909 nan 8.230 nan 0.000 0.418 193 T N 2.418 117.002 114.554 0.051 0.000 2.767 193 T HA 0.618 4.968 4.350 -0.001 0.000 0.284 193 T C -0.213 174.525 174.700 0.063 0.000 0.973 193 T CA -0.722 61.413 62.100 0.060 0.000 0.996 193 T CB 1.023 69.960 68.868 0.114 0.000 0.927 193 T HN 0.327 nan 8.240 nan 0.000 0.456 194 V N 3.308 123.248 119.914 0.045 0.000 2.364 194 V HA 0.803 4.923 4.120 -0.001 0.000 0.272 194 V C 0.902 177.039 176.094 0.072 0.000 1.036 194 V CA 0.165 62.510 62.300 0.074 0.000 0.880 194 V CB 0.096 31.948 31.823 0.048 0.000 0.991 194 V HN 1.485 nan 8.190 nan 0.000 0.460 195 G N 3.411 112.285 108.800 0.124 0.000 2.316 195 G HA2 0.358 4.318 3.960 -0.001 0.000 0.468 195 G HA3 0.358 4.318 3.960 -0.001 0.000 0.468 195 G C 0.112 175.022 174.900 0.016 0.000 1.523 195 G CA -0.330 44.839 45.100 0.115 0.000 0.972 195 G HN 0.984 nan 8.290 nan 0.000 0.667 196 G N -0.566 108.114 108.800 -0.200 0.000 3.277 196 G HA2 0.607 4.567 3.960 -0.001 0.000 0.243 196 G HA3 0.607 4.567 3.960 -0.001 0.000 0.243 196 G C 0.828 175.513 174.900 -0.360 0.000 1.107 196 G CA 1.145 45.849 45.100 -0.660 0.000 0.771 196 G HN 1.298 nan 8.290 nan 0.000 0.544 197 G N -0.081 108.627 108.800 -0.153 0.000 2.557 197 G HA2 0.421 4.380 3.960 -0.001 0.000 0.302 197 G HA3 0.421 4.380 3.960 -0.001 0.000 0.302 197 G C 0.783 175.689 174.900 0.011 0.000 1.311 197 G CA -0.468 44.634 45.100 0.002 0.000 1.030 197 G HN 0.201 nan 8.290 nan 0.000 0.509 198 F N -1.085 118.884 119.950 0.032 0.000 2.216 198 F HA 0.064 4.590 4.527 -0.001 0.000 0.300 198 F C 2.025 177.851 175.800 0.043 0.000 1.085 198 F CA 0.856 58.857 58.000 0.001 0.000 1.326 198 F CB -0.509 38.525 39.000 0.058 0.000 1.027 198 F HN 0.184 nan 8.300 nan 0.000 0.497 199 I N 0.018 120.136 120.570 -0.753 0.000 2.286 199 I HA -0.213 3.956 4.170 -0.001 0.000 0.245 199 I C 2.832 178.909 176.117 -0.067 0.000 1.104 199 I CA 1.314 62.328 61.300 -0.477 0.000 1.397 199 I CB -0.657 37.018 38.000 -0.543 0.000 1.072 199 I HN 0.353 nan 8.210 nan 0.000 0.417 200 S N 0.542 116.189 115.700 -0.088 0.000 2.359 200 S HA -0.153 4.316 4.470 -0.001 0.000 0.224 200 S C 2.130 176.753 174.600 0.039 0.000 1.035 200 S CA 1.559 59.759 58.200 0.001 0.000 1.018 200 S CB -0.246 62.940 63.200 -0.023 0.000 0.876 200 S HN 0.219 nan 8.310 nan 0.000 0.448 201 V N 1.644 121.552 119.914 -0.009 0.000 2.343 201 V HA -0.149 3.971 4.120 -0.001 0.000 0.247 201 V C 2.460 178.550 176.094 -0.007 0.000 1.051 201 V CA 2.199 64.490 62.300 -0.015 0.000 1.036 201 V CB -0.781 31.010 31.823 -0.053 0.000 0.654 201 V HN 0.537 nan 8.190 nan 0.000 0.451 202 E N -0.725 119.468 120.200 -0.011 0.000 2.072 202 E HA -0.167 4.182 4.350 -0.001 0.000 0.191 202 E C 2.084 178.565 176.600 -0.198 0.000 0.985 202 E CA 1.242 57.597 56.400 -0.074 0.000 0.801 202 E CB -0.195 29.468 29.700 -0.061 0.000 0.750 202 E HN 0.558 nan 8.360 nan 0.000 0.452 203 F N 1.000 120.851 119.950 -0.164 0.000 2.171 203 F HA -0.157 4.369 4.527 -0.001 0.000 0.300 203 F C 2.339 178.024 175.800 -0.192 0.000 1.090 203 F CA 1.106 58.923 58.000 -0.305 0.000 1.293 203 F CB -0.386 38.429 39.000 -0.309 0.000 1.013 203 F HN 0.006 nan 8.300 nan 0.000 0.486 204 A N 0.055 122.956 122.820 0.134 0.000 1.877 204 A HA -0.101 4.219 4.320 -0.001 0.000 0.216 204 A C 2.577 180.222 177.584 0.101 0.000 1.186 204 A CA 1.814 53.951 52.037 0.167 0.000 0.620 204 A CB -1.620 17.439 19.000 0.100 0.000 0.822 204 A HN 0.399 nan 8.150 nan 0.000 0.443 205 G N -0.149 108.664 108.800 0.022 0.000 2.422 205 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.218 205 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.218 205 G C 1.515 176.425 174.900 0.018 0.000 1.146 205 G CA 1.158 46.263 45.100 0.009 0.000 0.769 205 G HN 0.492 nan 8.290 nan 0.000 0.547 206 I N -0.431 120.092 120.570 -0.078 0.000 2.233 206 I HA -0.043 4.127 4.170 -0.001 0.000 0.243 206 I C 2.333 178.540 176.117 0.150 0.000 1.093 206 I CA 0.669 61.942 61.300 -0.045 0.000 1.380 206 I CB -0.206 37.576 38.000 -0.364 0.000 1.067 206 I HN 0.027 nan 8.210 nan 0.000 0.413 207 F N 1.041 121.088 119.950 0.161 0.000 2.234 207 F HA -0.174 4.352 4.527 -0.001 0.000 0.299 207 F C 2.309 178.162 175.800 0.088 0.000 1.087 207 F CA 1.218 59.277 58.000 0.098 0.000 1.340 207 F CB -1.220 37.793 39.000 0.023 0.000 1.031 207 F HN 0.129 nan 8.300 nan 0.000 0.500 208 N N 0.504 119.358 118.700 0.256 0.000 2.137 208 N HA -0.195 4.545 4.740 -0.001 0.000 0.190 208 N C 1.780 177.358 175.510 0.113 0.000 1.017 208 N CA 1.581 54.716 53.050 0.142 0.000 0.859 208 N CB -0.249 38.290 38.487 0.087 0.000 1.002 208 N HN 0.196 nan 8.380 nan 0.000 0.428 209 A N -1.554 121.348 122.820 0.136 0.000 1.975 209 A HA 0.030 4.349 4.320 -0.001 0.000 0.215 209 A C 1.359 178.904 177.584 -0.065 0.000 1.170 209 A CA 0.753 52.802 52.037 0.019 0.000 0.656 209 A CB -0.517 18.475 19.000 -0.014 0.000 0.821 209 A HN 0.472 nan 8.150 nan 0.000 0.449 210 Y N 0.857 121.255 120.300 0.164 0.000 2.457 210 Y HA 0.127 4.677 4.550 -0.001 0.000 0.263 210 Y C 0.902 176.865 175.900 0.105 0.000 1.164 210 Y CA -0.076 58.145 58.100 0.201 0.000 1.274 210 Y CB 0.195 38.902 38.460 0.412 0.000 1.097 210 Y HN 0.299 nan 8.280 nan 0.000 0.523 211 K N 2.052 122.551 120.400 0.165 0.000 2.414 211 K HA 0.127 4.447 4.320 -0.001 0.000 0.272 211 K C -2.615 174.010 176.600 0.043 0.000 0.993 211 K CA -1.391 54.931 56.287 0.059 0.000 0.964 211 K CB -0.088 32.430 32.500 0.030 0.000 0.925 211 K HN -0.049 nan 8.250 nan 0.000 0.487 212 P HA 0.210 nan 4.420 nan 0.000 0.277 212 P C -2.527 174.780 177.300 0.011 0.000 1.276 212 P CA -1.578 61.533 63.100 0.019 0.000 0.788 212 P CB -0.755 30.948 31.700 0.005 0.000 1.114 213 P HA 0.065 nan 4.420 nan 0.000 0.264 213 P C 0.844 178.144 177.300 0.001 0.000 1.183 213 P CA 1.348 64.453 63.100 0.009 0.000 0.763 213 P CB -0.412 31.296 31.700 0.012 0.000 0.807 214 G N 2.118 110.918 108.800 -0.001 0.000 2.225 214 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.267 214 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.267 214 G C 0.618 175.511 174.900 -0.012 0.000 1.024 214 G CA -0.045 45.051 45.100 -0.006 0.000 0.784 214 G HN 0.878 nan 8.290 nan 0.000 0.507 215 G N -1.147 107.645 108.800 -0.013 0.000 2.522 215 G HA2 0.710 4.670 3.960 -0.001 0.000 0.304 215 G HA3 0.710 4.670 3.960 -0.001 0.000 0.304 215 G C -0.366 174.524 174.900 -0.017 0.000 1.210 215 G CA -0.045 45.041 45.100 -0.023 0.000 0.960 215 G HN 0.732 nan 8.290 nan 0.000 0.497 216 K N -0.664 119.721 120.400 -0.024 0.000 2.550 216 K HA 0.464 4.783 4.320 -0.001 0.000 0.252 216 K C -1.279 175.311 176.600 -0.017 0.000 0.943 216 K CA -0.507 55.771 56.287 -0.016 0.000 0.806 216 K CB 1.935 34.424 32.500 -0.018 0.000 1.289 216 K HN 0.332 nan 8.250 nan 0.000 0.435 217 V N 3.441 123.359 119.914 0.005 0.000 2.472 217 V HA 0.588 4.707 4.120 -0.001 0.000 0.290 217 V C -0.443 175.663 176.094 0.018 0.000 1.037 217 V CA -0.440 61.873 62.300 0.022 0.000 0.908 217 V CB 1.768 33.638 31.823 0.079 0.000 0.985 217 V HN 0.876 nan 8.190 nan 0.000 0.454 218 T N 6.040 120.607 114.554 0.022 0.000 2.861 218 T HA 0.600 4.950 4.350 -0.001 0.000 0.287 218 T C -0.732 173.997 174.700 0.049 0.000 1.003 218 T CA -0.344 61.773 62.100 0.027 0.000 0.977 218 T CB 1.574 70.460 68.868 0.030 0.000 0.996 218 T HN 0.554 nan 8.240 nan 0.000 0.448 219 L N 3.719 124.969 121.223 0.045 0.000 2.341 219 L HA 0.806 5.146 4.340 -0.001 0.000 0.278 219 L C -0.462 176.451 176.870 0.073 0.000 1.005 219 L CA -0.704 54.174 54.840 0.063 0.000 0.818 219 L CB 0.649 42.737 42.059 0.048 0.000 1.259 219 L HN 0.989 nan 8.230 nan 0.000 0.418 220 C N 2.548 121.918 119.300 0.117 0.000 2.529 220 C HA 0.762 5.222 4.460 -0.001 0.000 0.329 220 C C -0.838 174.283 174.990 0.219 0.000 1.194 220 C CA -0.948 58.153 59.018 0.138 0.000 1.779 220 C CB 1.019 28.881 27.740 0.204 0.000 2.322 220 C HN 0.832 nan 8.230 nan 0.000 0.500 221 Y N 0.874 121.189 120.300 0.026 0.000 2.479 221 Y HA 0.482 5.031 4.550 -0.001 0.000 0.338 221 Y C 1.053 176.969 175.900 0.028 0.000 1.055 221 Y CA -1.008 57.111 58.100 0.032 0.000 1.023 221 Y CB 1.382 39.856 38.460 0.023 0.000 1.287 221 Y HN 0.918 nan 8.280 nan 0.000 0.447 222 R N 2.369 122.577 120.500 -0.486 0.000 2.091 222 R HA -0.115 4.224 4.340 -0.001 0.000 0.238 222 R C -0.292 175.671 176.300 -0.561 0.000 1.136 222 R CA 1.918 57.763 56.100 -0.425 0.000 0.959 222 R CB 0.000 30.084 30.300 -0.361 0.000 0.856 222 R HN 0.854 nan 8.270 nan 0.000 0.437 223 N N -1.681 116.350 118.700 -1.114 0.000 2.776 223 N HA 0.062 4.801 4.740 -0.001 0.000 0.319 223 N C 0.120 175.489 175.510 -0.234 0.000 1.316 223 N CA -0.621 52.092 53.050 -0.562 0.000 0.890 223 N CB 0.358 38.593 38.487 -0.420 0.000 1.165 223 N HN -0.094 nan 8.380 nan 0.000 0.596 224 N N -0.483 118.199 118.700 -0.031 0.000 2.300 224 N HA 0.065 4.804 4.740 -0.001 0.000 0.179 224 N C -0.939 174.645 175.510 0.123 0.000 1.016 224 N CA 0.721 53.793 53.050 0.038 0.000 0.876 224 N CB 0.132 38.634 38.487 0.025 0.000 0.979 224 N HN 0.373 nan 8.380 nan 0.000 0.432 225 L N 0.673 122.034 121.223 0.231 0.000 2.505 225 L HA 0.438 4.777 4.340 -0.001 0.000 0.266 225 L C -0.541 176.455 176.870 0.209 0.000 0.954 225 L CA -1.041 53.911 54.840 0.187 0.000 0.852 225 L CB 1.088 43.210 42.059 0.105 0.000 1.282 225 L HN 0.159 nan 8.230 nan 0.000 0.403 226 I N 2.387 122.985 120.570 0.046 0.000 3.161 226 I HA 0.203 4.372 4.170 -0.001 0.000 0.284 226 I C 0.346 176.373 176.117 -0.151 0.000 1.252 226 I CA -0.343 60.821 61.300 -0.226 0.000 1.374 226 I CB 0.141 38.026 38.000 -0.191 0.000 1.359 226 I HN 0.835 nan 8.210 nan 0.000 0.606 227 L N 0.996 122.093 121.223 -0.210 0.000 3.608 227 L HA -0.181 4.158 4.340 -0.001 0.000 0.422 227 L C 0.675 177.658 176.870 0.187 0.000 1.260 227 L CA 0.255 55.100 54.840 0.008 0.000 0.889 227 L CB -1.461 40.526 42.059 -0.119 0.000 1.821 227 L HN 0.759 nan 8.230 nan 0.000 0.884 228 R N 0.349 120.910 120.500 0.102 0.000 2.538 228 R HA 0.159 4.498 4.340 -0.001 0.000 0.273 228 R C 1.489 177.878 176.300 0.149 0.000 0.967 228 R CA 1.764 57.947 56.100 0.137 0.000 1.101 228 R CB 0.163 30.550 30.300 0.146 0.000 0.908 228 R HN 0.518 nan 8.270 nan 0.000 0.411 229 G N 2.287 111.117 108.800 0.050 0.000 2.234 229 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.235 229 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.235 229 G C -0.096 174.638 174.900 -0.277 0.000 0.997 229 G CA -0.200 44.828 45.100 -0.119 0.000 0.623 229 G HN 0.479 nan 8.290 nan 0.000 0.514 230 F N 1.664 121.593 119.950 -0.035 0.000 2.411 230 F HA 0.516 5.042 4.527 -0.001 0.000 0.324 230 F C 0.873 176.597 175.800 -0.126 0.000 1.086 230 F CA -0.482 57.478 58.000 -0.066 0.000 1.028 230 F CB 0.584 39.556 39.000 -0.046 0.000 1.284 230 F HN 0.024 nan 8.300 nan 0.000 0.501 231 D N 1.437 121.832 120.400 -0.008 0.000 2.488 231 D HA -0.094 4.545 4.640 -0.001 0.000 0.238 231 D C 0.842 177.128 176.300 -0.024 0.000 1.138 231 D CA 0.318 54.223 54.000 -0.159 0.000 0.873 231 D CB 0.897 41.558 40.800 -0.232 0.000 1.183 231 D HN 0.764 nan 8.370 nan 0.000 0.458 232 E N 1.950 122.139 120.200 -0.018 0.000 2.077 232 E HA -0.166 4.184 4.350 -0.001 0.000 0.193 232 E C 1.471 178.081 176.600 0.016 0.000 0.989 232 E CA 1.262 57.672 56.400 0.017 0.000 0.800 232 E CB 0.222 29.940 29.700 0.030 0.000 0.746 232 E HN 0.568 nan 8.360 nan 0.000 0.452 233 T N 1.350 115.917 114.554 0.021 0.000 2.684 233 T HA -0.157 4.193 4.350 -0.001 0.000 0.267 233 T C 1.900 176.596 174.700 -0.007 0.000 1.036 233 T CA 1.312 63.424 62.100 0.019 0.000 1.148 233 T CB -0.175 68.718 68.868 0.043 0.000 0.863 233 T HN 0.192 nan 8.240 nan 0.000 0.436 234 I N 0.585 121.146 120.570 -0.014 0.000 2.252 234 I HA -0.173 3.997 4.170 -0.001 0.000 0.245 234 I C 2.780 178.867 176.117 -0.051 0.000 1.102 234 I CA 1.261 62.535 61.300 -0.044 0.000 1.385 234 I CB -0.322 37.658 38.000 -0.033 0.000 1.064 234 I HN 0.172 nan 8.210 nan 0.000 0.414 235 R N 0.845 121.332 120.500 -0.022 0.000 2.080 235 R HA -0.206 4.134 4.340 -0.001 0.000 0.236 235 R C 2.188 178.470 176.300 -0.030 0.000 1.137 235 R CA 1.772 57.856 56.100 -0.027 0.000 0.943 235 R CB -0.435 29.873 30.300 0.014 0.000 0.846 235 R HN 0.454 nan 8.270 nan 0.000 0.431 236 E N 0.279 120.471 120.200 -0.014 0.000 2.070 236 E HA -0.216 4.134 4.350 -0.001 0.000 0.197 236 E C 2.045 178.630 176.600 -0.026 0.000 1.004 236 E CA 0.935 57.327 56.400 -0.014 0.000 0.805 236 E CB -0.045 29.652 29.700 -0.005 0.000 0.744 236 E HN 0.253 nan 8.360 nan 0.000 0.451 237 E N 0.603 120.783 120.200 -0.035 0.000 2.106 237 E HA -0.107 4.243 4.350 -0.001 0.000 0.192 237 E C 2.173 178.742 176.600 -0.051 0.000 0.984 237 E CA 0.388 56.763 56.400 -0.042 0.000 0.806 237 E CB -0.254 29.410 29.700 -0.060 0.000 0.750 237 E HN 0.068 nan 8.360 nan 0.000 0.458 238 V N 0.803 120.674 119.914 -0.072 0.000 2.427 238 V HA -0.213 3.906 4.120 -0.001 0.000 0.248 238 V C 2.053 178.109 176.094 -0.063 0.000 1.051 238 V CA 2.083 64.334 62.300 -0.082 0.000 1.048 238 V CB -0.436 31.311 31.823 -0.126 0.000 0.666 238 V HN 0.304 nan 8.190 nan 0.000 0.456 239 T N -0.088 114.432 114.554 -0.055 0.000 2.684 239 T HA -0.242 4.108 4.350 -0.001 0.000 0.267 239 T C 1.841 176.513 174.700 -0.047 0.000 1.036 239 T CA 1.858 63.932 62.100 -0.045 0.000 1.148 239 T CB -0.220 68.631 68.868 -0.029 0.000 0.863 239 T HN 0.515 nan 8.240 nan 0.000 0.436 240 K N 0.903 121.278 120.400 -0.040 0.000 2.057 240 K HA -0.088 4.232 4.320 -0.001 0.000 0.207 240 K C 2.581 179.144 176.600 -0.063 0.000 1.049 240 K CA 1.221 57.481 56.287 -0.045 0.000 0.931 240 K CB -0.150 32.337 32.500 -0.022 0.000 0.714 240 K HN 0.456 nan 8.250 nan 0.000 0.440 241 Q N 0.501 120.284 119.800 -0.028 0.000 2.245 241 Q HA -0.004 4.336 4.340 -0.001 0.000 0.201 241 Q C 2.161 178.114 176.000 -0.078 0.000 0.955 241 Q CA 0.665 56.475 55.803 0.011 0.000 0.870 241 Q CB 0.063 28.865 28.738 0.107 0.000 0.945 241 Q HN 0.290 nan 8.270 nan 0.000 0.461 242 L N -0.077 121.105 121.223 -0.068 0.000 2.044 242 L HA -0.146 4.193 4.340 -0.001 0.000 0.205 242 L C 2.364 179.172 176.870 -0.104 0.000 1.075 242 L CA 1.189 55.987 54.840 -0.070 0.000 0.747 242 L CB -0.576 41.453 42.059 -0.050 0.000 0.903 242 L HN 0.204 nan 8.230 nan 0.000 0.435 243 T N 0.117 114.607 114.554 -0.107 0.000 2.684 243 T HA -0.228 4.121 4.350 -0.001 0.000 0.267 243 T C 1.941 176.527 174.700 -0.190 0.000 1.036 243 T CA 1.473 63.503 62.100 -0.117 0.000 1.148 243 T CB -0.311 68.502 68.868 -0.092 0.000 0.863 243 T HN 0.448 nan 8.240 nan 0.000 0.436 244 A N 1.503 124.142 122.820 -0.302 0.000 2.070 244 A HA -0.068 4.252 4.320 -0.001 0.000 0.220 244 A C 2.007 179.251 177.584 -0.566 0.000 1.159 244 A CA 1.394 53.107 52.037 -0.541 0.000 0.656 244 A CB -0.494 17.907 19.000 -0.998 0.000 0.800 244 A HN 0.418 nan 8.150 nan 0.000 0.453 245 N N -1.135 117.340 118.700 -0.375 0.000 2.276 245 N HA 0.250 4.989 4.740 -0.001 0.000 0.212 245 N C 0.797 176.242 175.510 -0.108 0.000 1.127 245 N CA 0.909 53.837 53.050 -0.204 0.000 0.834 245 N CB 0.190 38.625 38.487 -0.086 0.000 1.014 245 N HN 0.518 nan 8.380 nan 0.000 0.491 246 G N 0.034 108.765 108.800 -0.115 0.000 2.159 246 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.227 246 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.227 246 G C -0.088 174.786 174.900 -0.043 0.000 0.986 246 G CA -0.169 44.891 45.100 -0.067 0.000 0.651 246 G HN 0.277 nan 8.290 nan 0.000 0.523 247 I N 1.192 121.734 120.570 -0.045 0.000 2.365 247 I HA 0.422 4.591 4.170 -0.001 0.000 0.291 247 I C 0.475 176.574 176.117 -0.030 0.000 1.004 247 I CA -0.708 60.579 61.300 -0.022 0.000 1.311 247 I CB 1.473 39.468 38.000 -0.009 0.000 1.401 247 I HN 0.208 nan 8.210 nan 0.000 0.491 248 E N 7.219 127.406 120.200 -0.021 0.000 2.194 248 E HA 0.374 4.723 4.350 -0.001 0.000 0.284 248 E C -1.099 175.489 176.600 -0.020 0.000 1.035 248 E CA -0.181 56.202 56.400 -0.028 0.000 0.836 248 E CB 0.741 30.423 29.700 -0.030 0.000 1.070 248 E HN 0.412 nan 8.360 nan 0.000 0.401 249 I N 5.728 126.283 120.570 -0.025 0.000 2.307 249 I HA 0.217 4.386 4.170 -0.001 0.000 0.289 249 I C -0.244 175.858 176.117 -0.026 0.000 1.021 249 I CA -0.208 61.085 61.300 -0.012 0.000 1.224 249 I CB 0.885 38.880 38.000 -0.009 0.000 1.376 249 I HN 0.527 nan 8.210 nan 0.000 0.470 250 M N 6.790 126.369 119.600 -0.034 0.000 2.080 250 M HA 0.303 4.782 4.480 -0.001 0.000 0.350 250 M C 0.032 176.309 176.300 -0.038 0.000 1.143 250 M CA -0.536 54.712 55.300 -0.086 0.000 1.064 250 M CB 0.581 33.055 32.600 -0.209 0.000 1.429 250 M HN 0.527 nan 8.290 nan 0.000 0.418 251 T N -1.159 113.383 114.554 -0.018 0.000 2.881 251 T HA 0.356 4.706 4.350 -0.001 0.000 0.278 251 T C 0.809 175.474 174.700 -0.057 0.000 0.982 251 T CA -0.880 61.228 62.100 0.014 0.000 0.989 251 T CB 0.682 69.584 68.868 0.056 0.000 1.058 251 T HN 0.745 nan 8.240 nan 0.000 0.529 252 N N 0.709 119.356 118.700 -0.088 0.000 2.708 252 N HA -0.145 4.594 4.740 -0.001 0.000 0.249 252 N C -0.719 174.734 175.510 -0.095 0.000 1.097 252 N CA 0.944 53.931 53.050 -0.105 0.000 0.710 252 N CB -0.736 37.705 38.487 -0.076 0.000 1.032 252 N HN 0.719 nan 8.380 nan 0.000 0.551 253 E N 0.405 120.552 120.200 -0.088 0.000 2.293 253 E HA 0.510 4.859 4.350 -0.001 0.000 0.270 253 E C -0.651 176.006 176.600 0.096 0.000 0.879 253 E CA -0.612 55.753 56.400 -0.057 0.000 0.756 253 E CB 2.199 31.727 29.700 -0.287 0.000 1.208 253 E HN 0.170 nan 8.360 nan 0.000 0.428 254 N N 1.724 120.579 118.700 0.258 0.000 2.425 254 N HA 0.357 5.096 4.740 -0.001 0.000 0.289 254 N C -3.026 172.618 175.510 0.223 0.000 1.074 254 N CA -1.663 51.522 53.050 0.224 0.000 0.905 254 N CB 2.074 40.607 38.487 0.077 0.000 1.586 254 N HN -0.000 nan 8.380 nan 0.000 0.490 255 P HA 0.204 nan 4.420 nan 0.000 0.271 255 P C -0.534 176.696 177.300 -0.117 0.000 1.216 255 P CA -0.016 62.938 63.100 -0.243 0.000 0.771 255 P CB 1.169 32.713 31.700 -0.260 0.000 0.864 256 A N 3.952 126.687 122.820 -0.141 0.000 2.055 256 A HA 0.188 4.507 4.320 -0.001 0.000 0.205 256 A C 0.474 178.015 177.584 -0.072 0.000 1.235 256 A CA 0.949 52.947 52.037 -0.066 0.000 0.822 256 A CB -0.084 18.899 19.000 -0.029 0.000 0.903 256 A HN 0.585 nan 8.150 nan 0.000 0.473 257 K N -1.870 118.462 120.400 -0.113 0.000 2.607 257 K HA 0.657 4.976 4.320 -0.001 0.000 0.287 257 K C -1.872 174.669 176.600 -0.098 0.000 0.996 257 K CA -0.751 55.492 56.287 -0.073 0.000 0.876 257 K CB 1.629 34.113 32.500 -0.027 0.000 1.496 257 K HN -0.054 nan 8.250 nan 0.000 0.415 258 V N 1.152 121.052 119.914 -0.023 0.000 2.709 258 V HA 0.606 4.726 4.120 -0.001 0.000 0.308 258 V C -0.735 175.412 176.094 0.089 0.000 1.062 258 V CA -0.472 61.827 62.300 -0.003 0.000 0.901 258 V CB 1.679 33.514 31.823 0.020 0.000 1.003 258 V HN 1.033 nan 8.190 nan 0.000 0.425 259 S N 4.081 119.795 115.700 0.022 0.000 2.704 259 S HA 0.818 5.287 4.470 -0.001 0.000 0.296 259 S C -1.100 173.384 174.600 -0.194 0.000 1.138 259 S CA -0.961 57.210 58.200 -0.048 0.000 0.875 259 S CB 1.820 65.029 63.200 0.016 0.000 1.151 259 S HN 0.488 nan 8.310 nan 0.000 0.500 260 L N 2.125 123.179 121.223 -0.281 0.000 2.282 260 L HA 0.467 4.807 4.340 -0.001 0.000 0.288 260 L C 0.004 176.796 176.870 -0.130 0.000 1.033 260 L CA -0.943 53.741 54.840 -0.260 0.000 0.807 260 L CB 1.010 42.880 42.059 -0.314 0.000 1.209 260 L HN 0.663 nan 8.230 nan 0.000 0.423 261 N N 0.600 119.243 118.700 -0.094 0.000 2.326 261 N HA 0.028 4.767 4.740 -0.001 0.000 0.239 261 N C 1.243 176.708 175.510 -0.074 0.000 1.301 261 N CA 0.232 53.232 53.050 -0.084 0.000 0.909 261 N CB 0.816 39.266 38.487 -0.062 0.000 1.156 261 N HN 0.644 nan 8.380 nan 0.000 0.462 262 T N -2.688 111.827 114.554 -0.065 0.000 2.962 262 T HA -0.150 4.199 4.350 -0.001 0.000 0.270 262 T C 0.857 175.531 174.700 -0.042 0.000 1.088 262 T CA 1.037 63.107 62.100 -0.050 0.000 1.127 262 T CB -0.193 68.648 68.868 -0.044 0.000 0.883 262 T HN 0.587 nan 8.240 nan 0.000 0.493 263 D N 1.063 121.438 120.400 -0.042 0.000 2.349 263 D HA 0.210 4.849 4.640 -0.001 0.000 0.224 263 D C 1.674 177.951 176.300 -0.039 0.000 1.029 263 D CA 0.601 54.580 54.000 -0.035 0.000 0.879 263 D CB -0.769 40.013 40.800 -0.030 0.000 0.906 263 D HN 0.601 nan 8.370 nan 0.000 0.528 264 G N 0.064 108.833 108.800 -0.052 0.000 2.195 264 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.246 264 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.246 264 G C 0.473 175.331 174.900 -0.069 0.000 0.984 264 G CA 0.440 45.505 45.100 -0.058 0.000 0.633 264 G HN 0.845 nan 8.290 nan 0.000 0.525 265 S N -0.396 115.267 115.700 -0.060 0.000 2.608 265 S HA 0.655 5.124 4.470 -0.001 0.000 0.261 265 S C 0.054 174.610 174.600 -0.073 0.000 1.314 265 S CA 0.105 58.269 58.200 -0.060 0.000 0.992 265 S CB 1.525 64.700 63.200 -0.041 0.000 0.935 265 S HN 0.303 nan 8.310 nan 0.000 0.564 266 K N 1.112 121.471 120.400 -0.069 0.000 2.211 266 K HA 0.359 4.679 4.320 -0.001 0.000 0.275 266 K C -0.816 175.771 176.600 -0.023 0.000 1.024 266 K CA -0.221 56.018 56.287 -0.079 0.000 0.887 266 K CB 0.684 33.134 32.500 -0.082 0.000 1.084 266 K HN 0.745 nan 8.250 nan 0.000 0.463 267 H N 1.808 120.810 119.070 -0.112 0.000 2.556 267 H HA 0.430 4.986 4.556 -0.001 0.000 0.310 267 H C -1.090 174.172 175.328 -0.110 0.000 1.057 267 H CA -0.630 55.365 56.048 -0.088 0.000 1.264 267 H CB 0.556 30.274 29.762 -0.074 0.000 1.404 267 H HN 0.238 nan 8.280 nan 0.000 0.462 268 V N 5.701 125.340 119.914 -0.459 0.000 2.398 268 V HA 0.302 4.422 4.120 -0.001 0.000 0.286 268 V C 0.027 175.754 176.094 -0.612 0.000 1.026 268 V CA -0.655 61.352 62.300 -0.489 0.000 0.868 268 V CB 1.614 33.118 31.823 -0.533 0.000 0.982 268 V HN 0.896 nan 8.190 nan 0.000 0.443 269 T N 5.619 119.895 114.554 -0.463 0.000 2.771 269 T HA 0.630 4.980 4.350 -0.001 0.000 0.281 269 T C -0.385 174.107 174.700 -0.347 0.000 0.982 269 T CA -0.125 61.802 62.100 -0.288 0.000 0.978 269 T CB 0.596 69.404 68.868 -0.100 0.000 0.930 269 T HN 0.265 nan 8.240 nan 0.000 0.447 270 F N 1.024 120.934 119.950 -0.066 0.000 2.370 270 F HA 0.301 4.828 4.527 -0.000 0.000 0.319 270 F C 1.985 177.767 175.800 -0.031 0.000 1.129 270 F CA -0.780 57.194 58.000 -0.045 0.000 1.109 270 F CB 0.600 39.573 39.000 -0.045 0.000 1.262 270 F HN 0.634 nan 8.300 nan 0.000 0.534 271 E N 0.188 120.485 120.200 0.162 0.000 2.171 271 E HA -0.205 4.144 4.350 -0.001 0.000 0.197 271 E C 2.039 178.687 176.600 0.079 0.000 0.997 271 E CA 1.680 58.132 56.400 0.086 0.000 0.810 271 E CB -0.152 29.584 29.700 0.060 0.000 0.738 271 E HN 0.645 nan 8.360 nan 0.000 0.467 272 S N -0.878 114.881 115.700 0.098 0.000 2.515 272 S HA 0.024 4.493 4.470 -0.001 0.000 0.231 272 S C 1.728 176.363 174.600 0.058 0.000 0.987 272 S CA 0.605 58.836 58.200 0.051 0.000 0.936 272 S CB 0.187 63.395 63.200 0.014 0.000 0.766 272 S HN 0.427 nan 8.310 nan 0.000 0.528 273 G N 0.834 109.689 108.800 0.092 0.000 2.175 273 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.244 273 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.244 273 G C 0.062 175.022 174.900 0.099 0.000 0.982 273 G CA 0.300 45.448 45.100 0.080 0.000 0.641 273 G HN 0.775 nan 8.290 nan 0.000 0.527 274 K N 1.241 121.716 120.400 0.124 0.000 2.276 274 K HA 0.546 4.865 4.320 -0.001 0.000 0.259 274 K C 0.881 177.638 176.600 0.262 0.000 1.001 274 K CA 0.711 57.068 56.287 0.117 0.000 0.927 274 K CB 0.338 32.817 32.500 -0.035 0.000 0.969 274 K HN 0.466 nan 8.250 nan 0.000 0.490 275 T N 0.223 114.888 114.554 0.186 0.000 2.883 275 T HA 0.649 4.998 4.350 -0.001 0.000 0.296 275 T C -1.387 173.388 174.700 0.125 0.000 1.117 275 T CA -1.065 61.098 62.100 0.106 0.000 1.006 275 T CB 1.409 70.260 68.868 -0.029 0.000 1.191 275 T HN 0.405 nan 8.240 nan 0.000 0.508 276 L N 0.822 122.032 121.223 -0.023 0.000 2.565 276 L HA 0.570 4.909 4.340 -0.001 0.000 0.261 276 L C -2.033 174.809 176.870 -0.047 0.000 0.932 276 L CA -0.367 54.505 54.840 0.054 0.000 0.878 276 L CB 2.252 44.459 42.059 0.246 0.000 1.333 276 L HN 0.787 nan 8.230 nan 0.000 0.409 277 D N 4.159 124.567 120.400 0.014 0.000 2.193 277 D HA 0.695 5.334 4.640 -0.001 0.000 0.244 277 D C -0.513 175.780 176.300 -0.012 0.000 1.064 277 D CA 0.154 54.165 54.000 0.019 0.000 0.845 277 D CB 2.314 43.155 40.800 0.067 0.000 1.148 277 D HN 0.482 nan 8.370 nan 0.000 0.464 278 V N -0.988 118.903 119.914 -0.038 0.000 3.159 278 V HA 0.428 4.547 4.120 -0.001 0.000 0.308 278 V C 0.187 176.233 176.094 -0.080 0.000 1.190 278 V CA -0.782 61.480 62.300 -0.063 0.000 1.037 278 V CB 2.530 34.307 31.823 -0.077 0.000 1.060 278 V HN 0.307 nan 8.190 nan 0.000 0.437 279 D N 0.295 120.631 120.400 -0.106 0.000 2.271 279 D HA 0.168 4.808 4.640 -0.001 0.000 0.206 279 D C 0.278 176.495 176.300 -0.138 0.000 0.967 279 D CA 1.259 55.190 54.000 -0.115 0.000 0.867 279 D CB 1.296 42.020 40.800 -0.128 0.000 0.960 279 D HN 0.376 nan 8.370 nan 0.000 0.509 280 V N 1.431 121.237 119.914 -0.181 0.000 2.686 280 V HA 0.261 4.381 4.120 -0.001 0.000 0.306 280 V C -0.336 175.656 176.094 -0.169 0.000 1.065 280 V CA -0.818 61.365 62.300 -0.195 0.000 0.894 280 V CB 2.945 34.583 31.823 -0.309 0.000 1.004 280 V HN -0.252 nan 8.190 nan 0.000 0.424 281 V N 5.472 125.314 119.914 -0.120 0.000 2.357 281 V HA 0.493 4.612 4.120 -0.001 0.000 0.284 281 V C -0.126 175.912 176.094 -0.094 0.000 1.018 281 V CA -0.310 61.932 62.300 -0.097 0.000 0.841 281 V CB 1.528 33.306 31.823 -0.076 0.000 0.991 281 V HN 0.890 nan 8.190 nan 0.000 0.437 282 M N 6.247 125.792 119.600 -0.092 0.000 2.072 282 M HA 0.521 5.001 4.480 -0.001 0.000 0.331 282 M C -0.887 175.362 176.300 -0.085 0.000 1.004 282 M CA -0.545 54.692 55.300 -0.105 0.000 0.952 282 M CB 1.211 33.748 32.600 -0.104 0.000 1.511 282 M HN 0.466 nan 8.290 nan 0.000 0.422 283 M N 3.912 123.457 119.600 -0.092 0.000 2.162 283 M HA 0.319 4.798 4.480 -0.001 0.000 0.356 283 M C -0.013 176.232 176.300 -0.092 0.000 1.303 283 M CA 0.116 55.374 55.300 -0.069 0.000 1.116 283 M CB 0.694 33.258 32.600 -0.061 0.000 1.632 283 M HN 0.795 nan 8.290 nan 0.000 0.469 284 A N 4.749 127.532 122.820 -0.061 0.000 3.234 284 A HA 0.417 4.737 4.320 -0.001 0.000 0.247 284 A C 0.612 178.175 177.584 -0.034 0.000 0.938 284 A CA -0.455 51.532 52.037 -0.083 0.000 1.039 284 A CB -0.435 18.502 19.000 -0.106 0.000 1.197 284 A HN 0.919 nan 8.150 nan 0.000 0.498 285 I N -3.504 117.063 120.570 -0.004 0.000 3.883 285 I HA 0.612 4.782 4.170 -0.001 0.000 0.326 285 I C 0.682 176.832 176.117 0.055 0.000 1.283 285 I CA 0.264 61.593 61.300 0.047 0.000 1.161 285 I CB 0.490 38.526 38.000 0.060 0.000 1.012 285 I HN 0.406 nan 8.210 nan 0.000 0.421 286 G N 1.005 109.822 108.800 0.029 0.000 2.339 286 G HA2 0.357 4.317 3.960 -0.001 0.000 0.302 286 G HA3 0.357 4.317 3.960 -0.001 0.000 0.302 286 G C -1.613 173.316 174.900 0.049 0.000 1.425 286 G CA -1.127 44.008 45.100 0.057 0.000 0.899 286 G HN 0.146 nan 8.290 nan 0.000 0.619 287 R N -0.355 120.195 120.500 0.084 0.000 2.621 287 R HA 0.687 5.026 4.340 -0.001 0.000 0.292 287 R C -0.000 176.379 176.300 0.133 0.000 0.969 287 R CA -0.868 55.292 56.100 0.101 0.000 0.887 287 R CB 2.146 32.514 30.300 0.113 0.000 1.180 287 R HN 0.717 nan 8.270 nan 0.000 0.450 288 I N -0.734 119.935 120.570 0.164 0.000 2.693 288 I HA 0.629 4.799 4.170 -0.001 0.000 0.303 288 I C -2.476 173.750 176.117 0.182 0.000 1.025 288 I CA -3.228 58.167 61.300 0.158 0.000 1.086 288 I CB 2.051 40.141 38.000 0.151 0.000 1.268 288 I HN 0.292 nan 8.210 nan 0.000 0.440 289 P HA 0.131 nan 4.420 nan 0.000 0.268 289 P C -0.872 176.511 177.300 0.139 0.000 1.204 289 P CA -0.130 63.053 63.100 0.139 0.000 0.768 289 P CB 0.501 32.264 31.700 0.105 0.000 0.842 290 R N 1.903 122.488 120.500 0.143 0.000 2.891 290 R HA 0.173 4.512 4.340 -0.001 0.000 0.248 290 R C 0.844 177.188 176.300 0.073 0.000 1.439 290 R CA 0.139 56.305 56.100 0.110 0.000 1.288 290 R CB -0.329 30.044 30.300 0.123 0.000 1.212 290 R HN 0.554 nan 8.270 nan 0.000 0.605 291 T N -2.409 112.181 114.554 0.059 0.000 2.985 291 T HA -0.026 4.323 4.350 -0.001 0.000 0.254 291 T C 1.425 176.141 174.700 0.027 0.000 1.021 291 T CA -0.175 61.952 62.100 0.045 0.000 0.957 291 T CB 0.092 68.987 68.868 0.045 0.000 1.047 291 T HN 0.229 nan 8.240 nan 0.000 0.511 292 N N 2.552 121.261 118.700 0.016 0.000 2.223 292 N HA -0.105 4.634 4.740 -0.001 0.000 0.185 292 N C 0.917 176.417 175.510 -0.017 0.000 1.016 292 N CA 1.402 54.449 53.050 -0.005 0.000 0.863 292 N CB -0.394 38.081 38.487 -0.020 0.000 0.983 292 N HN 0.388 nan 8.380 nan 0.000 0.429 293 D N -0.363 120.032 120.400 -0.007 0.000 2.339 293 D HA 0.059 4.699 4.640 -0.001 0.000 0.217 293 D C 1.416 177.730 176.300 0.023 0.000 1.050 293 D CA 0.016 54.012 54.000 -0.007 0.000 0.856 293 D CB 0.383 41.206 40.800 0.040 0.000 0.922 293 D HN 0.352 nan 8.370 nan 0.000 0.518 294 L N 0.188 121.425 121.223 0.023 0.000 2.446 294 L HA -0.014 4.325 4.340 -0.001 0.000 0.219 294 L C 0.178 177.053 176.870 0.008 0.000 1.116 294 L CA 0.253 55.108 54.840 0.024 0.000 0.844 294 L CB 0.033 42.107 42.059 0.026 0.000 0.970 294 L HN -0.132 nan 8.230 nan 0.000 0.457 295 Q N -0.313 119.487 119.800 -0.000 0.000 2.470 295 Q HA -0.212 4.128 4.340 -0.001 0.000 0.294 295 Q C 0.959 176.955 176.000 -0.006 0.000 1.356 295 Q CA 0.546 56.344 55.803 -0.008 0.000 0.805 295 Q CB -2.222 26.508 28.738 -0.013 0.000 1.157 295 Q HN 0.488 nan 8.270 nan 0.000 0.431 296 L N -1.473 119.749 121.223 -0.001 0.000 2.191 296 L HA -0.127 4.212 4.340 -0.001 0.000 0.212 296 L C 2.225 179.092 176.870 -0.005 0.000 1.103 296 L CA 1.520 56.360 54.840 -0.001 0.000 0.769 296 L CB -0.363 41.700 42.059 0.006 0.000 0.908 296 L HN 0.521 nan 8.230 nan 0.000 0.438 297 G N -0.053 108.744 108.800 -0.005 0.000 2.470 297 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.220 297 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.220 297 G C 1.312 176.206 174.900 -0.010 0.000 1.121 297 G CA 0.485 45.581 45.100 -0.007 0.000 0.766 297 G HN 0.359 nan 8.290 nan 0.000 0.553 298 N N 0.178 118.871 118.700 -0.011 0.000 2.289 298 N HA -0.095 4.645 4.740 -0.001 0.000 0.184 298 N C 2.100 177.601 175.510 -0.016 0.000 1.016 298 N CA 1.592 54.634 53.050 -0.014 0.000 0.872 298 N CB 0.059 38.537 38.487 -0.015 0.000 0.973 298 N HN 0.466 nan 8.380 nan 0.000 0.433 299 V N -5.615 114.289 119.914 -0.016 0.000 3.502 299 V HA 0.556 4.675 4.120 -0.001 0.000 0.288 299 V C 1.065 177.148 176.094 -0.018 0.000 1.461 299 V CA 0.229 62.516 62.300 -0.021 0.000 1.029 299 V CB 0.148 31.955 31.823 -0.027 0.000 0.843 299 V HN 0.138 nan 8.190 nan 0.000 0.438 300 G N 0.922 109.715 108.800 -0.013 0.000 2.149 300 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.235 300 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.235 300 G C 0.016 174.912 174.900 -0.008 0.000 1.018 300 G CA 0.076 45.170 45.100 -0.010 0.000 0.728 300 G HN 0.800 nan 8.290 nan 0.000 0.508 301 V N 0.965 120.875 119.914 -0.008 0.000 2.485 301 V HA 0.181 4.300 4.120 -0.001 0.000 0.287 301 V C 1.161 177.258 176.094 0.005 0.000 1.022 301 V CA 0.320 62.618 62.300 -0.003 0.000 1.067 301 V CB 0.986 32.807 31.823 -0.003 0.000 0.967 301 V HN 0.372 nan 8.190 nan 0.000 0.479 302 K N 5.410 125.815 120.400 0.008 0.000 2.298 302 K HA 0.472 4.792 4.320 -0.001 0.000 0.280 302 K C -0.610 176.001 176.600 0.019 0.000 1.032 302 K CA -0.271 56.023 56.287 0.013 0.000 0.958 302 K CB 0.788 33.295 32.500 0.013 0.000 0.978 302 K HN 0.504 nan 8.250 nan 0.000 0.472 303 L N 2.237 123.472 121.223 0.019 0.000 2.322 303 L HA 0.264 4.603 4.340 -0.001 0.000 0.279 303 L C 0.938 177.822 176.870 0.023 0.000 1.036 303 L CA -0.877 53.978 54.840 0.025 0.000 0.807 303 L CB 1.571 43.645 42.059 0.026 0.000 1.226 303 L HN 0.782 nan 8.230 nan 0.000 0.433 304 T N -1.226 113.344 114.554 0.026 0.000 2.748 304 T HA 0.120 4.469 4.350 -0.001 0.000 0.304 304 T C -1.757 172.957 174.700 0.023 0.000 1.041 304 T CA -1.149 60.964 62.100 0.022 0.000 1.033 304 T CB 0.551 69.433 68.868 0.022 0.000 0.995 304 T HN 0.389 nan 8.240 nan 0.000 0.536 305 P HA -0.053 nan 4.420 nan 0.000 0.216 305 P C 1.476 178.792 177.300 0.026 0.000 1.150 305 P CA 1.152 64.264 63.100 0.021 0.000 0.843 305 P CB 0.059 31.770 31.700 0.018 0.000 0.787 306 K N -1.875 118.542 120.400 0.028 0.000 2.148 306 K HA -0.001 4.318 4.320 -0.001 0.000 0.204 306 K C 1.328 177.953 176.600 0.042 0.000 1.050 306 K CA 1.445 57.752 56.287 0.035 0.000 0.942 306 K CB -0.320 32.201 32.500 0.035 0.000 0.724 306 K HN 0.241 nan 8.250 nan 0.000 0.446 307 G N -1.044 107.781 108.800 0.041 0.000 2.367 307 G HA2 -0.139 3.821 3.960 -0.001 0.000 0.181 307 G HA3 -0.139 3.821 3.960 -0.001 0.000 0.181 307 G C 0.258 175.189 174.900 0.051 0.000 1.000 307 G CA -0.282 44.845 45.100 0.046 0.000 0.693 307 G HN 0.544 nan 8.290 nan 0.000 0.480 308 G N -0.127 108.703 108.800 0.050 0.000 2.572 308 G HA2 0.550 4.510 3.960 -0.001 0.000 0.261 308 G HA3 0.550 4.510 3.960 -0.001 0.000 0.261 308 G C 0.392 175.321 174.900 0.047 0.000 1.197 308 G CA 0.173 45.305 45.100 0.054 0.000 0.870 308 G HN 0.888 nan 8.290 nan 0.000 0.548 309 V N 1.274 121.219 119.914 0.052 0.000 2.485 309 V HA 0.026 4.145 4.120 -0.001 0.000 0.287 309 V C 0.856 176.977 176.094 0.044 0.000 1.022 309 V CA 0.137 62.465 62.300 0.048 0.000 1.067 309 V CB 0.754 32.611 31.823 0.055 0.000 0.967 309 V HN 0.809 nan 8.190 nan 0.000 0.479 310 Q N 4.263 124.085 119.800 0.037 0.000 2.311 310 Q HA 0.460 4.800 4.340 -0.001 0.000 0.272 310 Q C -0.593 175.433 176.000 0.044 0.000 1.012 310 Q CA -0.223 55.600 55.803 0.033 0.000 0.891 310 Q CB 1.233 29.987 28.738 0.027 0.000 1.201 310 Q HN 0.792 nan 8.270 nan 0.000 0.391 311 V N 0.589 120.530 119.914 0.044 0.000 3.114 311 V HA 0.529 4.648 4.120 -0.001 0.000 0.308 311 V C -0.850 175.278 176.094 0.057 0.000 1.168 311 V CA -1.070 61.269 62.300 0.066 0.000 1.015 311 V CB 1.851 33.724 31.823 0.083 0.000 1.050 311 V HN 0.949 nan 8.190 nan 0.000 0.433 312 D N 0.504 120.958 120.400 0.090 0.000 2.478 312 D HA 0.276 4.916 4.640 -0.001 0.000 0.274 312 D C 0.748 177.089 176.300 0.067 0.000 1.234 312 D CA -0.129 53.927 54.000 0.093 0.000 1.069 312 D CB 0.548 41.438 40.800 0.149 0.000 1.113 312 D HN 0.687 nan 8.370 nan 0.000 0.571 313 E N -1.382 118.838 120.200 0.034 0.000 2.268 313 E HA -0.065 4.285 4.350 -0.001 0.000 0.195 313 E C 0.891 177.299 176.600 -0.319 0.000 0.995 313 E CA 0.659 56.971 56.400 -0.146 0.000 0.836 313 E CB -0.311 29.229 29.700 -0.266 0.000 0.763 313 E HN 0.384 nan 8.360 nan 0.000 0.491 314 F N 0.096 120.075 119.950 0.049 0.000 2.692 314 F HA 0.161 4.687 4.527 -0.001 0.000 0.303 314 F C 0.777 176.600 175.800 0.039 0.000 1.114 314 F CA -0.062 57.955 58.000 0.028 0.000 1.361 314 F CB 0.354 39.357 39.000 0.004 0.000 1.063 314 F HN -0.232 nan 8.300 nan 0.000 0.550 315 S N -0.339 115.454 115.700 0.154 0.000 3.382 315 S HA -0.237 4.233 4.470 -0.001 0.000 0.293 315 S C 0.437 175.185 174.600 0.247 0.000 1.262 315 S CA 0.385 58.682 58.200 0.162 0.000 0.969 315 S CB -1.414 61.865 63.200 0.132 0.000 1.136 315 S HN 0.485 nan 8.310 nan 0.000 0.635 316 R N 2.011 122.672 120.500 0.268 0.000 2.357 316 R HA 0.487 4.827 4.340 -0.001 0.000 0.296 316 R C 1.036 177.431 176.300 0.158 0.000 1.052 316 R CA 0.190 56.464 56.100 0.291 0.000 0.988 316 R CB 0.547 31.022 30.300 0.293 0.000 1.025 316 R HN 0.446 nan 8.270 nan 0.000 0.469 317 T N -1.565 113.049 114.554 0.100 0.000 2.793 317 T HA 0.011 4.360 4.350 -0.001 0.000 0.299 317 T C 1.069 175.784 174.700 0.026 0.000 1.038 317 T CA -0.339 61.789 62.100 0.046 0.000 0.948 317 T CB 0.490 69.365 68.868 0.012 0.000 1.231 317 T HN 0.787 nan 8.240 nan 0.000 0.538 318 N N -0.977 117.731 118.700 0.012 0.000 2.515 318 N HA 0.073 4.812 4.740 -0.001 0.000 0.185 318 N C -0.200 175.303 175.510 -0.013 0.000 1.109 318 N CA -0.214 52.840 53.050 0.006 0.000 0.903 318 N CB -0.000 38.491 38.487 0.007 0.000 0.969 318 N HN 0.305 nan 8.380 nan 0.000 0.450 319 V N 1.757 121.651 119.914 -0.034 0.000 2.333 319 V HA 0.217 4.337 4.120 -0.001 0.000 0.274 319 V C -1.319 174.717 176.094 -0.096 0.000 1.028 319 V CA -1.562 60.703 62.300 -0.059 0.000 0.851 319 V CB 1.328 33.110 31.823 -0.067 0.000 1.000 319 V HN -0.027 nan 8.190 nan 0.000 0.456 320 P HA -0.192 nan 4.420 nan 0.000 0.220 320 P C 0.907 178.124 177.300 -0.139 0.000 1.155 320 P CA 1.643 64.705 63.100 -0.063 0.000 0.880 320 P CB 0.080 31.756 31.700 -0.040 0.000 0.790 321 N N -1.357 117.201 118.700 -0.236 0.000 2.273 321 N HA 0.078 4.817 4.740 -0.001 0.000 0.231 321 N C -0.226 174.857 175.510 -0.712 0.000 1.134 321 N CA 0.045 52.873 53.050 -0.370 0.000 0.856 321 N CB 0.009 38.338 38.487 -0.264 0.000 1.068 321 N HN 0.189 nan 8.380 nan 0.000 0.510 322 I N 1.244 121.389 120.570 -0.709 0.000 2.418 322 I HA 0.358 4.528 4.170 -0.001 0.000 0.287 322 I C -1.061 174.750 176.117 -0.510 0.000 1.008 322 I CA -0.929 60.055 61.300 -0.526 0.000 1.104 322 I CB 0.964 38.842 38.000 -0.203 0.000 1.264 322 I HN -0.146 nan 8.210 nan 0.000 0.438 323 Y N 4.181 124.526 120.300 0.075 0.000 2.598 323 Y HA 0.842 5.392 4.550 -0.001 0.000 0.340 323 Y C 0.133 176.076 175.900 0.072 0.000 1.038 323 Y CA -1.232 56.912 58.100 0.074 0.000 1.100 323 Y CB 1.847 40.353 38.460 0.077 0.000 1.281 323 Y HN 0.546 nan 8.280 nan 0.000 0.488 324 A N 2.302 125.259 122.820 0.229 0.000 2.455 324 A HA 0.871 5.191 4.320 -0.001 0.000 0.300 324 A C -1.179 176.493 177.584 0.146 0.000 1.040 324 A CA -0.640 51.490 52.037 0.156 0.000 0.697 324 A CB 1.031 20.098 19.000 0.112 0.000 1.265 324 A HN 0.808 nan 8.150 nan 0.000 0.407 325 I N -0.937 119.712 120.570 0.132 0.000 3.074 325 I HA 0.950 5.119 4.170 -0.001 0.000 0.310 325 I C 0.406 176.592 176.117 0.114 0.000 1.153 325 I CA -0.278 61.094 61.300 0.120 0.000 0.993 325 I CB 2.071 40.138 38.000 0.112 0.000 1.237 325 I HN 1.980 nan 8.210 nan 0.000 0.443 326 G N 3.014 111.881 108.800 0.113 0.000 2.568 326 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.222 326 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.222 326 G C -0.129 174.840 174.900 0.115 0.000 1.321 326 G CA 0.476 45.644 45.100 0.112 0.000 0.893 326 G HN 0.815 nan 8.290 nan 0.000 0.569 327 D N -0.254 120.220 120.400 0.123 0.000 2.263 327 D HA -0.024 4.616 4.640 -0.001 0.000 0.208 327 D C 2.297 178.670 176.300 0.121 0.000 0.971 327 D CA 0.945 55.022 54.000 0.128 0.000 0.867 327 D CB -0.053 40.837 40.800 0.151 0.000 0.929 327 D HN 0.458 nan 8.370 nan 0.000 0.492 328 I N 0.967 121.606 120.570 0.116 0.000 2.567 328 I HA -0.215 3.954 4.170 -0.001 0.000 0.257 328 I C 1.588 177.758 176.117 0.089 0.000 1.184 328 I CA 1.235 62.597 61.300 0.104 0.000 1.451 328 I CB -0.006 38.052 38.000 0.097 0.000 1.089 328 I HN 0.048 nan 8.210 nan 0.000 0.441 329 T N -3.255 111.351 114.554 0.086 0.000 3.129 329 T HA -0.012 4.338 4.350 -0.001 0.000 0.251 329 T C 0.845 175.579 174.700 0.055 0.000 1.117 329 T CA 0.414 62.554 62.100 0.067 0.000 1.034 329 T CB -0.279 68.627 68.868 0.062 0.000 0.968 329 T HN 0.396 nan 8.240 nan 0.000 0.526 330 D N 0.604 121.047 120.400 0.072 0.000 2.699 330 D HA -0.162 4.478 4.640 -0.001 0.000 0.239 330 D C 0.476 176.806 176.300 0.049 0.000 1.136 330 D CA 0.709 54.751 54.000 0.069 0.000 0.668 330 D CB -0.954 39.885 40.800 0.065 0.000 1.060 330 D HN 0.681 nan 8.370 nan 0.000 0.429 331 R N -0.698 119.831 120.500 0.047 0.000 2.400 331 R HA 0.493 4.833 4.340 -0.001 0.000 0.112 331 R C 0.051 176.382 176.300 0.052 0.000 1.488 331 R CA -0.564 55.549 56.100 0.022 0.000 1.275 331 R CB 0.199 30.479 30.300 -0.033 0.000 1.084 331 R HN 0.104 nan 8.270 nan 0.000 0.426 332 L N 3.489 124.756 121.223 0.073 0.000 2.315 332 L HA 0.323 4.662 4.340 -0.001 0.000 0.283 332 L C -0.193 176.731 176.870 0.090 0.000 1.089 332 L CA 0.151 55.039 54.840 0.079 0.000 0.833 332 L CB 1.175 43.291 42.059 0.096 0.000 1.170 332 L HN 0.520 nan 8.230 nan 0.000 0.442 333 M N 6.513 126.168 119.600 0.092 0.000 3.117 333 M HA 0.392 4.872 4.480 -0.001 0.000 0.292 333 M C -0.841 175.515 176.300 0.094 0.000 1.357 333 M CA 0.162 55.533 55.300 0.119 0.000 1.463 333 M CB 0.083 32.784 32.600 0.168 0.000 1.105 333 M HN 0.476 nan 8.290 nan 0.000 0.553 334 L N -0.146 121.118 121.223 0.069 0.000 2.401 334 L HA 0.401 4.740 4.340 -0.001 0.000 0.266 334 L C 1.170 178.076 176.870 0.060 0.000 0.991 334 L CA -0.461 54.404 54.840 0.040 0.000 0.818 334 L CB 2.423 44.484 42.059 0.004 0.000 1.321 334 L HN 0.300 nan 8.230 nan 0.000 0.413 335 T N 1.484 116.077 114.554 0.064 0.000 2.684 335 T HA -0.070 4.280 4.350 -0.001 0.000 0.267 335 T C -1.131 173.595 174.700 0.043 0.000 1.036 335 T CA 1.828 63.966 62.100 0.064 0.000 1.148 335 T CB -0.394 68.515 68.868 0.068 0.000 0.863 335 T HN 0.453 nan 8.240 nan 0.000 0.436 336 P HA 0.093 nan 4.420 nan 0.000 0.229 336 P C 1.378 178.680 177.300 0.003 0.000 1.160 336 P CA 0.325 63.434 63.100 0.014 0.000 0.777 336 P CB -0.028 31.677 31.700 0.008 0.000 0.814 337 V N 0.380 120.298 119.914 0.006 0.000 2.323 337 V HA -0.215 3.905 4.120 -0.001 0.000 0.244 337 V C 2.466 178.570 176.094 0.016 0.000 1.041 337 V CA 2.178 64.473 62.300 -0.008 0.000 1.025 337 V CB -1.668 30.163 31.823 0.015 0.000 0.656 337 V HN 0.093 nan 8.190 nan 0.000 0.451 338 A N 0.126 122.975 122.820 0.048 0.000 1.908 338 A HA -0.222 4.097 4.320 -0.001 0.000 0.218 338 A C 2.199 179.814 177.584 0.051 0.000 1.181 338 A CA 2.154 54.230 52.037 0.065 0.000 0.627 338 A CB -0.615 18.434 19.000 0.082 0.000 0.818 338 A HN 0.504 nan 8.150 nan 0.000 0.445 339 I N -0.155 120.437 120.570 0.038 0.000 2.163 339 I HA -0.290 3.879 4.170 -0.001 0.000 0.243 339 I C 2.575 178.704 176.117 0.020 0.000 1.085 339 I CA 1.618 62.935 61.300 0.028 0.000 1.347 339 I CB -0.498 37.510 38.000 0.013 0.000 1.044 339 I HN 0.498 nan 8.210 nan 0.000 0.408 340 N N 1.027 119.728 118.700 0.000 0.000 2.104 340 N HA -0.225 4.514 4.740 -0.001 0.000 0.190 340 N C 1.735 177.237 175.510 -0.013 0.000 1.024 340 N CA 1.623 54.663 53.050 -0.018 0.000 0.853 340 N CB 0.032 38.486 38.487 -0.056 0.000 1.008 340 N HN 0.444 nan 8.380 nan 0.000 0.424 341 E N -0.432 119.765 120.200 -0.005 0.000 2.077 341 E HA -0.111 4.239 4.350 -0.001 0.000 0.193 341 E C 1.989 178.611 176.600 0.037 0.000 0.989 341 E CA 1.057 57.467 56.400 0.016 0.000 0.800 341 E CB -0.307 29.426 29.700 0.054 0.000 0.746 341 E HN 0.457 nan 8.360 nan 0.000 0.452 342 G N 1.244 110.076 108.800 0.053 0.000 2.421 342 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.216 342 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.216 342 G C 1.716 176.660 174.900 0.073 0.000 1.171 342 G CA 0.919 46.061 45.100 0.070 0.000 0.775 342 G HN 0.348 nan 8.290 nan 0.000 0.543 343 A N 1.305 124.165 122.820 0.068 0.000 1.892 343 A HA 0.104 4.423 4.320 -0.001 0.000 0.218 343 A C 2.832 180.461 177.584 0.075 0.000 1.188 343 A CA 2.754 54.839 52.037 0.079 0.000 0.631 343 A CB -0.944 18.092 19.000 0.060 0.000 0.822 343 A HN 0.888 nan 8.150 nan 0.000 0.447 344 A N -0.781 122.065 122.820 0.042 0.000 1.898 344 A HA 0.026 4.346 4.320 -0.001 0.000 0.216 344 A C 2.157 179.758 177.584 0.029 0.000 1.181 344 A CA 1.656 53.715 52.037 0.036 0.000 0.620 344 A CB -0.652 18.349 19.000 0.001 0.000 0.819 344 A HN 0.797 nan 8.150 nan 0.000 0.442 345 L N -0.086 121.138 121.223 0.000 0.000 2.012 345 L HA -0.143 4.197 4.340 -0.001 0.000 0.210 345 L C 2.329 179.115 176.870 -0.140 0.000 1.073 345 L CA 2.157 56.943 54.840 -0.091 0.000 0.748 345 L CB -0.491 41.497 42.059 -0.117 0.000 0.891 345 L HN 0.137 nan 8.230 nan 0.000 0.431 346 V N -0.221 119.692 119.914 -0.002 0.000 2.453 346 V HA -0.222 3.897 4.120 -0.001 0.000 0.247 346 V C 2.218 178.364 176.094 0.088 0.000 1.048 346 V CA 1.736 64.105 62.300 0.116 0.000 1.049 346 V CB -0.737 31.258 31.823 0.286 0.000 0.672 346 V HN 0.480 nan 8.190 nan 0.000 0.457 347 D N -0.024 120.439 120.400 0.106 0.000 2.097 347 D HA -0.133 4.506 4.640 -0.001 0.000 0.195 347 D C 2.292 178.539 176.300 -0.090 0.000 0.989 347 D CA 1.901 55.939 54.000 0.064 0.000 0.827 347 D CB -0.383 40.491 40.800 0.122 0.000 0.966 347 D HN 0.387 nan 8.370 nan 0.000 0.456 348 T N 0.384 114.890 114.554 -0.081 0.000 2.708 348 T HA -0.089 4.261 4.350 -0.001 0.000 0.266 348 T C 2.227 176.764 174.700 -0.271 0.000 1.037 348 T CA 0.881 62.907 62.100 -0.124 0.000 1.146 348 T CB -0.341 68.503 68.868 -0.039 0.000 0.865 348 T HN -0.028 nan 8.240 nan 0.000 0.435 349 V N -0.154 119.497 119.914 -0.439 0.000 2.407 349 V HA 0.045 4.165 4.120 -0.001 0.000 0.245 349 V C 1.692 177.328 176.094 -0.762 0.000 1.041 349 V CA 1.444 63.304 62.300 -0.734 0.000 1.040 349 V CB -0.405 30.693 31.823 -1.209 0.000 0.671 349 V HN 0.396 nan 8.190 nan 0.000 0.455 350 F N -0.303 119.429 119.950 -0.363 0.000 2.752 350 F HA 0.412 4.938 4.527 -0.001 0.000 0.310 350 F C 1.959 177.287 175.800 -0.787 0.000 1.097 350 F CA 0.409 58.147 58.000 -0.437 0.000 1.238 350 F CB -0.109 38.685 39.000 -0.342 0.000 1.061 350 F HN 0.115 nan 8.300 nan 0.000 0.591 351 G N 0.227 108.562 108.800 -0.774 0.000 3.393 351 G HA2 -0.028 3.932 3.960 -0.001 0.000 0.255 351 G HA3 -0.028 3.932 3.960 -0.001 0.000 0.255 351 G C 0.112 174.829 174.900 -0.304 0.000 1.097 351 G CA -0.245 44.273 45.100 -0.969 0.000 0.780 351 G HN 0.301 nan 8.290 nan 0.000 0.540 352 N N 1.363 119.923 118.700 -0.233 0.000 2.913 352 N HA -0.238 4.501 4.740 -0.001 0.000 0.301 352 N C -0.532 174.932 175.510 -0.077 0.000 1.061 352 N CA 1.166 54.135 53.050 -0.136 0.000 0.827 352 N CB -1.069 37.359 38.487 -0.098 0.000 0.971 352 N HN 0.593 nan 8.380 nan 0.000 0.606 353 K N -0.245 120.119 120.400 -0.060 0.000 2.756 353 K HA 0.407 4.726 4.320 -0.001 0.000 0.218 353 K C -3.053 173.557 176.600 0.016 0.000 1.057 353 K CA -1.678 54.607 56.287 -0.003 0.000 1.056 353 K CB 1.490 34.012 32.500 0.036 0.000 1.235 353 K HN 0.062 nan 8.250 nan 0.000 0.547 354 P HA 0.031 nan 4.420 nan 0.000 0.265 354 P C -0.910 176.503 177.300 0.188 0.000 1.193 354 P CA -0.135 63.010 63.100 0.075 0.000 0.765 354 P CB 0.536 32.237 31.700 0.001 0.000 0.823 355 R N 1.777 122.450 120.500 0.288 0.000 2.561 355 R HA 0.304 4.643 4.340 -0.001 0.000 0.266 355 R C -1.074 175.264 176.300 0.063 0.000 1.091 355 R CA -0.823 55.380 56.100 0.172 0.000 0.927 355 R CB 1.404 31.752 30.300 0.080 0.000 1.240 355 R HN 0.430 nan 8.270 nan 0.000 0.449 356 K N 1.788 122.087 120.400 -0.169 0.000 2.203 356 K HA 0.446 4.766 4.320 -0.001 0.000 0.251 356 K C -0.754 175.730 176.600 -0.194 0.000 0.944 356 K CA -0.854 55.207 56.287 -0.376 0.000 0.829 356 K CB 2.067 34.116 32.500 -0.752 0.000 1.125 356 K HN 0.273 nan 8.250 nan 0.000 0.430 357 T N 1.760 116.208 114.554 -0.177 0.000 2.930 357 T HA -0.036 4.314 4.350 -0.001 0.000 0.306 357 T C -0.468 174.076 174.700 -0.259 0.000 1.045 357 T CA 0.221 62.183 62.100 -0.231 0.000 1.134 357 T CB 0.439 69.112 68.868 -0.325 0.000 0.961 357 T HN 0.566 nan 8.240 nan 0.000 0.545 358 D N 0.874 121.133 120.400 -0.234 0.000 2.359 358 D HA 0.083 4.723 4.640 -0.001 0.000 0.230 358 D C 0.813 176.974 176.300 -0.232 0.000 1.118 358 D CA -0.372 53.540 54.000 -0.146 0.000 0.844 358 D CB 0.422 41.176 40.800 -0.076 0.000 1.059 358 D HN 0.566 nan 8.370 nan 0.000 0.493 359 H N 2.044 121.096 119.070 -0.030 0.000 2.539 359 H HA 0.074 4.630 4.556 -0.001 0.000 0.267 359 H C 0.596 175.915 175.328 -0.016 0.000 0.982 359 H CA 0.302 56.337 56.048 -0.022 0.000 1.146 359 H CB 0.304 30.054 29.762 -0.021 0.000 1.382 359 H HN 0.398 nan 8.280 nan 0.000 0.577 360 T N -1.692 112.899 114.554 0.061 0.000 2.934 360 T HA 0.323 4.672 4.350 -0.001 0.000 0.283 360 T C 0.622 175.332 174.700 0.016 0.000 1.005 360 T CA -0.829 61.297 62.100 0.044 0.000 1.041 360 T CB 1.896 70.793 68.868 0.047 0.000 1.042 360 T HN 0.306 nan 8.240 nan 0.000 0.505 361 R N -0.655 119.854 120.500 0.015 0.000 3.641 361 R HA -0.099 4.241 4.340 -0.001 0.000 0.286 361 R C -0.531 175.763 176.300 -0.010 0.000 1.153 361 R CA 0.388 56.489 56.100 0.002 0.000 0.775 361 R CB -2.519 27.785 30.300 0.007 0.000 1.215 361 R HN 0.565 nan 8.270 nan 0.000 0.474 362 V N 1.104 121.010 119.914 -0.013 0.000 2.432 362 V HA 0.439 4.559 4.120 -0.001 0.000 0.271 362 V C 1.128 177.207 176.094 -0.024 0.000 1.046 362 V CA 0.032 62.319 62.300 -0.022 0.000 0.945 362 V CB 1.391 33.200 31.823 -0.022 0.000 0.992 362 V HN 0.370 nan 8.190 nan 0.000 0.471 363 A N 5.035 127.843 122.820 -0.019 0.000 2.401 363 A HA 0.714 5.034 4.320 -0.001 0.000 0.259 363 A C 0.491 178.065 177.584 -0.017 0.000 1.103 363 A CA 0.248 52.275 52.037 -0.017 0.000 0.789 363 A CB 0.406 19.401 19.000 -0.008 0.000 1.035 363 A HN 1.184 nan 8.150 nan 0.000 0.491 364 S N 0.361 116.051 115.700 -0.015 0.000 2.705 364 S HA 0.908 5.377 4.470 -0.001 0.000 0.280 364 S C -0.563 174.028 174.600 -0.016 0.000 1.174 364 S CA -0.137 58.051 58.200 -0.019 0.000 0.823 364 S CB 1.417 64.593 63.200 -0.041 0.000 1.162 364 S HN 2.292 nan 8.310 nan 0.000 0.487 365 A N 0.060 122.847 122.820 -0.055 0.000 2.566 365 A HA 0.846 5.165 4.320 -0.001 0.000 0.292 365 A C -1.471 175.994 177.584 -0.198 0.000 1.112 365 A CA -0.810 51.115 52.037 -0.187 0.000 0.707 365 A CB 1.662 20.422 19.000 -0.400 0.000 1.302 365 A HN 1.348 nan 8.150 nan 0.000 0.409 366 V N 0.641 120.365 119.914 -0.317 0.000 2.483 366 V HA 0.371 4.490 4.120 -0.001 0.000 0.297 366 V C -1.015 174.889 176.094 -0.315 0.000 1.027 366 V CA -0.103 62.068 62.300 -0.214 0.000 0.855 366 V CB 1.280 32.936 31.823 -0.277 0.000 0.995 366 V HN 0.757 nan 8.190 nan 0.000 0.424 367 F N 2.998 122.941 119.950 -0.011 0.000 2.833 367 F HA 0.205 4.732 4.527 -0.001 0.000 0.327 367 F C 1.565 177.329 175.800 -0.061 0.000 1.184 367 F CA -0.235 57.744 58.000 -0.036 0.000 1.328 367 F CB -0.162 38.821 39.000 -0.029 0.000 1.440 367 F HN 0.579 nan 8.300 nan 0.000 0.569 368 S N -0.188 115.512 115.700 0.000 0.000 2.606 368 S HA 0.451 4.921 4.470 -0.001 0.000 0.257 368 S C -0.119 174.468 174.600 -0.021 0.000 1.327 368 S CA -0.594 57.587 58.200 -0.031 0.000 0.984 368 S CB 1.243 64.388 63.200 -0.093 0.000 0.941 368 S HN 0.266 nan 8.310 nan 0.000 0.576 369 I N 1.962 122.516 120.570 -0.027 0.000 2.420 369 I HA 0.357 4.526 4.170 -0.001 0.000 0.282 369 I C -2.486 173.615 176.117 -0.026 0.000 1.019 369 I CA -2.111 59.174 61.300 -0.025 0.000 1.130 369 I CB 1.643 39.630 38.000 -0.022 0.000 1.262 369 I HN 0.448 nan 8.210 nan 0.000 0.454 370 P HA 0.359 nan 4.420 nan 0.000 0.278 370 P C -2.592 174.645 177.300 -0.104 0.000 1.266 370 P CA -1.356 61.706 63.100 -0.063 0.000 0.807 370 P CB 0.256 31.914 31.700 -0.070 0.000 1.094 371 P HA 0.345 nan 4.420 nan 0.000 0.280 371 P C -0.682 176.468 177.300 -0.250 0.000 1.272 371 P CA -0.201 62.775 63.100 -0.206 0.000 0.819 371 P CB 1.033 32.575 31.700 -0.263 0.000 1.122 372 I N -0.219 120.176 120.570 -0.291 0.000 2.525 372 I HA 0.600 4.770 4.170 -0.001 0.000 0.301 372 I C 0.740 176.735 176.117 -0.204 0.000 0.992 372 I CA -0.483 60.674 61.300 -0.238 0.000 1.162 372 I CB 1.894 39.742 38.000 -0.255 0.000 1.332 372 I HN 0.372 nan 8.210 nan 0.000 0.458 373 G N 2.051 110.785 108.800 -0.111 0.000 2.662 373 G HA2 0.603 4.562 3.960 -0.001 0.000 0.302 373 G HA3 0.603 4.562 3.960 -0.001 0.000 0.302 373 G C -1.271 173.634 174.900 0.009 0.000 1.389 373 G CA -0.343 44.718 45.100 -0.064 0.000 0.998 373 G HN 0.500 nan 8.290 nan 0.000 0.502 374 T N -0.658 113.917 114.554 0.035 0.000 2.923 374 T HA 0.544 4.894 4.350 -0.001 0.000 0.311 374 T C -1.550 173.133 174.700 -0.028 0.000 1.183 374 T CA -0.471 61.653 62.100 0.040 0.000 1.020 374 T CB 1.548 70.556 68.868 0.235 0.000 1.165 374 T HN 1.076 nan 8.240 nan 0.000 0.482 375 C N 3.713 122.944 119.300 -0.115 0.000 2.516 375 C HA 0.887 5.346 4.460 -0.001 0.000 0.338 375 C C 0.744 175.665 174.990 -0.114 0.000 1.132 375 C CA 1.153 60.120 59.018 -0.086 0.000 1.310 375 C CB -0.223 27.478 27.740 -0.064 0.000 1.898 375 C HN 1.684 nan 8.230 nan 0.000 0.452 376 G N 4.739 113.516 108.800 -0.039 0.000 2.587 376 G HA2 -0.073 3.887 3.960 -0.001 0.000 0.212 376 G HA3 -0.073 3.887 3.960 -0.001 0.000 0.212 376 G C -1.038 173.902 174.900 0.066 0.000 1.327 376 G CA -0.351 44.744 45.100 -0.007 0.000 0.898 376 G HN 1.019 nan 8.290 nan 0.000 0.551 377 L N 1.274 122.548 121.223 0.086 0.000 2.371 377 L HA 0.536 4.876 4.340 -0.001 0.000 0.272 377 L C 1.529 178.525 176.870 0.211 0.000 1.124 377 L CA -0.740 54.169 54.840 0.115 0.000 0.816 377 L CB 1.000 43.115 42.059 0.093 0.000 1.129 377 L HN 0.722 nan 8.230 nan 0.000 0.448 378 I N -0.565 120.040 120.570 0.058 0.000 2.720 378 I HA 0.102 4.271 4.170 -0.001 0.000 0.287 378 I C 1.307 177.389 176.117 -0.059 0.000 1.090 378 I CA -0.548 60.689 61.300 -0.105 0.000 1.384 378 I CB 0.912 38.776 38.000 -0.226 0.000 1.420 378 I HN 0.840 nan 8.210 nan 0.000 0.575 379 E N 3.463 123.612 120.200 -0.085 0.000 2.110 379 E HA -0.262 4.088 4.350 -0.001 0.000 0.193 379 E C 1.363 177.766 176.600 -0.329 0.000 0.988 379 E CA 1.502 57.820 56.400 -0.137 0.000 0.804 379 E CB -0.380 29.296 29.700 -0.040 0.000 0.745 379 E HN 0.855 nan 8.360 nan 0.000 0.458 380 E N 1.784 121.827 120.200 -0.261 0.000 2.204 380 E HA -0.121 4.228 4.350 -0.001 0.000 0.194 380 E C 2.251 178.761 176.600 -0.151 0.000 0.989 380 E CA 1.113 57.356 56.400 -0.263 0.000 0.824 380 E CB -0.376 29.254 29.700 -0.117 0.000 0.756 380 E HN 0.287 nan 8.360 nan 0.000 0.477 381 V N 2.153 122.014 119.914 -0.088 0.000 2.323 381 V HA -0.163 3.956 4.120 -0.001 0.000 0.244 381 V C 2.770 178.872 176.094 0.014 0.000 1.041 381 V CA 1.713 63.995 62.300 -0.031 0.000 1.025 381 V CB -0.903 30.914 31.823 -0.010 0.000 0.656 381 V HN 0.415 nan 8.190 nan 0.000 0.451 382 A N 0.282 123.124 122.820 0.037 0.000 1.927 382 A HA -0.236 4.083 4.320 -0.001 0.000 0.220 382 A C 2.352 180.039 177.584 0.171 0.000 1.185 382 A CA 2.422 54.560 52.037 0.168 0.000 0.639 382 A CB -0.793 18.253 19.000 0.078 0.000 0.820 382 A HN 0.614 nan 8.150 nan 0.000 0.451 383 A N -0.891 121.904 122.820 -0.043 0.000 2.066 383 A HA -0.048 4.272 4.320 -0.001 0.000 0.218 383 A C 2.006 179.608 177.584 0.031 0.000 1.157 383 A CA 1.528 53.542 52.037 -0.038 0.000 0.670 383 A CB -0.293 18.520 19.000 -0.312 0.000 0.804 383 A HN 0.551 nan 8.150 nan 0.000 0.453 384 K N -0.481 119.921 120.400 0.002 0.000 2.432 384 K HA 0.000 4.320 4.320 -0.001 0.000 0.196 384 K C 0.925 177.506 176.600 -0.031 0.000 1.038 384 K CA 1.067 57.351 56.287 -0.005 0.000 0.986 384 K CB 0.105 32.596 32.500 -0.017 0.000 0.782 384 K HN 0.590 nan 8.250 nan 0.000 0.485 385 E N -0.903 119.274 120.200 -0.039 0.000 2.539 385 E HA 0.128 4.477 4.350 -0.001 0.000 0.215 385 E C -0.700 175.596 176.600 -0.506 0.000 0.965 385 E CA -0.043 56.202 56.400 -0.257 0.000 1.019 385 E CB 0.659 30.160 29.700 -0.332 0.000 1.059 385 E HN 0.000 nan 8.360 nan 0.000 0.496 386 F N 0.205 120.173 119.950 0.030 0.000 2.561 386 F HA 0.200 4.726 4.527 -0.001 0.000 0.313 386 F C 1.119 176.958 175.800 0.065 0.000 1.126 386 F CA -0.860 57.169 58.000 0.048 0.000 0.918 386 F CB 2.054 41.089 39.000 0.058 0.000 1.199 386 F HN -0.241 nan 8.300 nan 0.000 0.444 387 E N 1.628 121.960 120.200 0.220 0.000 2.110 387 E HA -0.076 4.273 4.350 -0.001 0.000 0.193 387 E C -0.290 176.427 176.600 0.195 0.000 0.988 387 E CA 1.487 57.985 56.400 0.163 0.000 0.804 387 E CB 0.281 30.054 29.700 0.122 0.000 0.745 387 E HN 0.409 nan 8.360 nan 0.000 0.458 388 K N 0.037 120.581 120.400 0.241 0.000 2.545 388 K HA 0.364 4.683 4.320 -0.001 0.000 0.252 388 K C -1.706 175.064 176.600 0.284 0.000 0.948 388 K CA -0.562 55.876 56.287 0.251 0.000 0.827 388 K CB 2.661 35.302 32.500 0.235 0.000 1.128 388 K HN -0.170 nan 8.250 nan 0.000 0.429 389 V N 2.151 122.240 119.914 0.293 0.000 2.459 389 V HA 0.603 4.723 4.120 -0.001 0.000 0.295 389 V C -0.345 175.863 176.094 0.191 0.000 1.029 389 V CA -0.810 61.629 62.300 0.232 0.000 0.874 389 V CB 1.605 33.561 31.823 0.221 0.000 0.985 389 V HN 0.875 nan 8.190 nan 0.000 0.438 390 A N 4.574 127.418 122.820 0.040 0.000 2.324 390 A HA 0.872 5.191 4.320 -0.001 0.000 0.330 390 A C -0.799 176.550 177.584 -0.393 0.000 1.165 390 A CA -0.537 51.288 52.037 -0.353 0.000 0.813 390 A CB 1.496 20.259 19.000 -0.394 0.000 1.197 390 A HN 0.675 nan 8.150 nan 0.000 0.484 391 V N 2.559 122.034 119.914 -0.732 0.000 2.409 391 V HA 0.338 4.458 4.120 -0.001 0.000 0.291 391 V C -1.333 174.294 176.094 -0.778 0.000 1.020 391 V CA -0.350 61.559 62.300 -0.651 0.000 0.848 391 V CB 0.828 32.116 31.823 -0.893 0.000 0.990 391 V HN 0.760 nan 8.190 nan 0.000 0.430 392 Y N 4.942 125.068 120.300 -0.291 0.000 2.335 392 Y HA 0.724 5.274 4.550 -0.001 0.000 0.339 392 Y C 0.171 176.003 175.900 -0.114 0.000 0.987 392 Y CA -0.503 57.482 58.100 -0.191 0.000 1.140 392 Y CB 1.677 40.058 38.460 -0.132 0.000 1.173 392 Y HN 0.606 nan 8.280 nan 0.000 0.486 393 M N 3.615 123.244 119.600 0.049 0.000 2.267 393 M HA 0.552 5.031 4.480 -0.001 0.000 0.289 393 M C -1.425 174.957 176.300 0.136 0.000 1.043 393 M CA -0.328 55.023 55.300 0.085 0.000 0.928 393 M CB 1.648 34.294 32.600 0.076 0.000 1.613 393 M HN 0.577 nan 8.290 nan 0.000 0.450 394 S N 3.052 118.867 115.700 0.191 0.000 2.538 394 S HA 0.823 5.293 4.470 -0.001 0.000 0.288 394 S C -1.567 173.224 174.600 0.317 0.000 1.108 394 S CA -0.417 57.946 58.200 0.272 0.000 0.971 394 S CB 1.986 65.373 63.200 0.312 0.000 1.041 394 S HN 0.810 nan 8.310 nan 0.000 0.483 395 S N 3.748 119.647 115.700 0.330 0.000 2.603 395 S HA 0.818 5.288 4.470 -0.001 0.000 0.274 395 S C -1.668 173.061 174.600 0.215 0.000 1.168 395 S CA -0.707 57.581 58.200 0.147 0.000 0.963 395 S CB 0.374 63.622 63.200 0.079 0.000 1.078 395 S HN 1.150 nan 8.310 nan 0.000 0.477 396 F N -0.051 119.979 119.950 0.134 0.000 2.654 396 F HA 0.498 5.025 4.527 -0.001 0.000 0.314 396 F C -0.466 175.413 175.800 0.131 0.000 1.116 396 F CA -0.934 57.132 58.000 0.110 0.000 1.017 396 F CB 0.571 39.630 39.000 0.097 0.000 1.285 396 F HN 0.271 nan 8.300 nan 0.000 0.448 397 T N 4.335 118.942 114.554 0.088 0.000 2.817 397 T HA 0.316 4.666 4.350 -0.001 0.000 0.295 397 T C -2.410 172.461 174.700 0.285 0.000 0.958 397 T CA -0.502 61.653 62.100 0.092 0.000 1.157 397 T CB 0.238 69.159 68.868 0.089 0.000 0.898 397 T HN 0.332 nan 8.240 nan 0.000 0.536 398 P HA 0.104 nan 4.420 nan 0.000 0.269 398 P C 1.018 178.459 177.300 0.236 0.000 1.209 398 P CA -0.590 62.757 63.100 0.411 0.000 0.776 398 P CB 0.527 32.415 31.700 0.314 0.000 0.876 399 L N 3.724 125.051 121.223 0.174 0.000 2.043 399 L HA -0.208 4.131 4.340 -0.001 0.000 0.212 399 L C 2.245 179.167 176.870 0.086 0.000 1.075 399 L CA 2.061 56.965 54.840 0.106 0.000 0.752 399 L CB -1.169 40.932 42.059 0.071 0.000 0.891 399 L HN 0.474 nan 8.230 nan 0.000 0.432 400 M N -2.062 117.578 119.600 0.066 0.000 2.195 400 M HA -0.233 4.247 4.480 -0.001 0.000 0.260 400 M C 1.550 177.883 176.300 0.056 0.000 1.066 400 M CA 1.984 57.336 55.300 0.088 0.000 1.089 400 M CB -0.710 31.874 32.600 -0.027 0.000 1.377 400 M HN 0.240 nan 8.290 nan 0.000 0.411 401 H N 0.323 119.468 119.070 0.127 0.000 2.539 401 H HA 0.213 4.769 4.556 -0.001 0.000 0.269 401 H C 0.872 176.213 175.328 0.022 0.000 0.980 401 H CA 0.336 56.419 56.048 0.059 0.000 1.152 401 H CB -0.211 29.543 29.762 -0.013 0.000 1.407 401 H HN 0.567 nan 8.280 nan 0.000 0.564 402 N N 0.320 119.097 118.700 0.127 0.000 2.463 402 N HA -0.012 4.727 4.740 -0.001 0.000 0.181 402 N C 1.383 176.897 175.510 0.006 0.000 1.078 402 N CA 0.364 53.453 53.050 0.064 0.000 0.902 402 N CB 0.549 39.071 38.487 0.058 0.000 0.970 402 N HN 0.326 nan 8.380 nan 0.000 0.451 403 I N -0.284 120.266 120.570 -0.033 0.000 3.790 403 I HA -0.049 4.121 4.170 -0.001 0.000 0.305 403 I C 2.053 178.072 176.117 -0.165 0.000 1.253 403 I CA 0.302 61.484 61.300 -0.197 0.000 1.355 403 I CB 0.094 37.816 38.000 -0.463 0.000 1.137 403 I HN -0.011 nan 8.210 nan 0.000 0.435 404 S N 0.185 115.928 115.700 0.072 0.000 2.402 404 S HA 0.077 4.547 4.470 -0.001 0.000 0.229 404 S C 1.872 176.571 174.600 0.166 0.000 1.021 404 S CA 1.065 59.424 58.200 0.264 0.000 0.974 404 S CB -0.134 63.349 63.200 0.473 0.000 0.800 404 S HN 0.547 nan 8.310 nan 0.000 0.484 405 G N 0.300 109.163 108.800 0.105 0.000 2.391 405 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.204 405 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.204 405 G C 0.532 175.459 174.900 0.044 0.000 1.012 405 G CA 0.017 45.165 45.100 0.079 0.000 0.651 405 G HN 0.681 nan 8.290 nan 0.000 0.494 406 S N 1.735 117.407 115.700 -0.046 0.000 3.697 406 S HA 0.288 4.758 4.470 -0.001 0.000 0.207 406 S C 1.381 175.635 174.600 -0.577 0.000 1.459 406 S CA 0.283 58.200 58.200 -0.471 0.000 1.122 406 S CB 0.566 63.340 63.200 -0.710 0.000 1.311 406 S HN 0.522 nan 8.310 nan 0.000 0.487 407 K N 0.624 120.910 120.400 -0.189 0.000 2.360 407 K HA -0.156 4.163 4.320 -0.001 0.000 0.201 407 K C 1.378 177.921 176.600 -0.095 0.000 1.046 407 K CA 1.188 57.430 56.287 -0.076 0.000 0.945 407 K CB -0.242 32.278 32.500 0.032 0.000 0.750 407 K HN 0.804 nan 8.250 nan 0.000 0.464 408 Y N -0.133 120.146 120.300 -0.035 0.000 2.571 408 Y HA 0.052 4.601 4.550 -0.001 0.000 0.294 408 Y C 0.225 176.075 175.900 -0.084 0.000 1.141 408 Y CA 0.076 58.146 58.100 -0.050 0.000 1.308 408 Y CB -0.350 38.079 38.460 -0.052 0.000 1.002 408 Y HN -0.260 nan 8.280 nan 0.000 0.551 409 K N 2.765 122.850 120.400 -0.525 0.000 2.278 409 K HA 0.110 4.430 4.320 -0.001 0.000 0.237 409 K C -0.411 176.085 176.600 -0.174 0.000 1.229 409 K CA 0.024 56.072 56.287 -0.400 0.000 1.155 409 K CB 0.039 32.072 32.500 -0.778 0.000 1.590 409 K HN 0.271 nan 8.250 nan 0.000 0.290 410 K N 1.773 122.108 120.400 -0.109 0.000 2.339 410 K HA 0.077 4.396 4.320 -0.001 0.000 0.286 410 K C -0.252 176.235 176.600 -0.188 0.000 1.050 410 K CA -0.311 55.902 56.287 -0.123 0.000 0.956 410 K CB 0.478 32.925 32.500 -0.088 0.000 0.990 410 K HN 0.211 nan 8.250 nan 0.000 0.475 411 F N 3.655 123.340 119.950 -0.441 0.000 2.467 411 F HA 0.089 4.615 4.527 -0.001 0.000 0.362 411 F C -0.192 175.347 175.800 -0.435 0.000 1.090 411 F CA -0.280 57.438 58.000 -0.471 0.000 1.202 411 F CB 0.654 39.269 39.000 -0.641 0.000 1.113 411 F HN 0.094 nan 8.300 nan 0.000 0.541 412 V N 5.503 125.110 119.914 -0.511 0.000 2.495 412 V HA 0.759 4.878 4.120 -0.001 0.000 0.298 412 V C -0.396 175.653 176.094 -0.076 0.000 1.031 412 V CA -0.783 61.408 62.300 -0.182 0.000 0.871 412 V CB 1.323 33.057 31.823 -0.149 0.000 0.988 412 V HN 0.911 nan 8.190 nan 0.000 0.432 413 A N 5.143 128.063 122.820 0.167 0.000 2.357 413 A HA 0.810 5.129 4.320 -0.001 0.000 0.295 413 A C -0.594 177.076 177.584 0.143 0.000 1.121 413 A CA -0.745 51.416 52.037 0.206 0.000 0.742 413 A CB 1.011 20.225 19.000 0.357 0.000 1.181 413 A HN 0.788 nan 8.150 nan 0.000 0.454 414 K N 2.116 122.580 120.400 0.107 0.000 2.324 414 K HA 0.711 5.031 4.320 -0.001 0.000 0.253 414 K C -1.309 175.320 176.600 0.047 0.000 0.932 414 K CA -0.375 55.972 56.287 0.099 0.000 0.799 414 K CB 2.540 35.123 32.500 0.138 0.000 1.154 414 K HN 0.639 nan 8.250 nan 0.000 0.425 415 I N 2.566 123.154 120.570 0.030 0.000 2.406 415 I HA 0.291 4.460 4.170 -0.001 0.000 0.290 415 I C -0.684 175.467 176.117 0.056 0.000 0.999 415 I CA -1.246 60.022 61.300 -0.053 0.000 1.124 415 I CB 1.973 39.858 38.000 -0.191 0.000 1.289 415 I HN 0.197 nan 8.210 nan 0.000 0.441 416 V N 4.934 124.856 119.914 0.014 0.000 2.398 416 V HA 0.511 4.630 4.120 -0.001 0.000 0.286 416 V C 0.270 176.365 176.094 0.001 0.000 1.026 416 V CA -0.336 61.984 62.300 0.033 0.000 0.868 416 V CB 1.761 33.625 31.823 0.068 0.000 0.982 416 V HN 0.895 nan 8.190 nan 0.000 0.443 417 T N 0.687 115.260 114.554 0.032 0.000 2.916 417 T HA 0.443 4.793 4.350 -0.001 0.000 0.292 417 T C -0.367 174.290 174.700 -0.071 0.000 1.064 417 T CA -0.881 61.221 62.100 0.003 0.000 1.011 417 T CB 1.751 70.712 68.868 0.154 0.000 1.152 417 T HN 0.427 nan 8.240 nan 0.000 0.510 418 N N 0.297 118.879 118.700 -0.196 0.000 2.402 418 N HA 0.094 4.834 4.740 -0.001 0.000 0.252 418 N C 0.513 176.039 175.510 0.027 0.000 1.118 418 N CA -0.027 52.903 53.050 -0.201 0.000 0.945 418 N CB 0.486 38.727 38.487 -0.409 0.000 1.147 418 N HN 0.866 nan 8.380 nan 0.000 0.495 419 H N 2.076 121.174 119.070 0.047 0.000 2.524 419 H HA 0.125 4.680 4.556 -0.001 0.000 0.282 419 H C 1.306 176.688 175.328 0.091 0.000 1.016 419 H CA 1.356 57.469 56.048 0.107 0.000 1.270 419 H CB 0.513 30.388 29.762 0.189 0.000 1.394 419 H HN 0.501 nan 8.280 nan 0.000 0.568 420 S N -0.154 115.576 115.700 0.050 0.000 2.419 420 S HA -0.119 4.351 4.470 -0.001 0.000 0.233 420 S C 0.939 175.518 174.600 -0.035 0.000 1.016 420 S CA 1.475 59.682 58.200 0.011 0.000 0.974 420 S CB -0.006 63.247 63.200 0.087 0.000 0.786 420 S HN 0.845 nan 8.310 nan 0.000 0.492 421 D N -2.179 118.200 120.400 -0.036 0.000 2.530 421 D HA 0.231 4.870 4.640 -0.001 0.000 0.253 421 D C 0.933 177.211 176.300 -0.037 0.000 1.338 421 D CA 0.537 54.517 54.000 -0.033 0.000 0.806 421 D CB -0.610 40.192 40.800 0.003 0.000 1.160 421 D HN 0.243 nan 8.370 nan 0.000 0.514 422 G N 0.574 109.347 108.800 -0.044 0.000 2.166 422 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.260 422 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.260 422 G C 0.432 175.334 174.900 0.003 0.000 0.986 422 G CA 0.667 45.766 45.100 -0.001 0.000 0.683 422 G HN 0.461 nan 8.290 nan 0.000 0.527 423 T N 0.854 115.394 114.554 -0.022 0.000 2.902 423 T HA 0.346 4.696 4.350 -0.001 0.000 0.301 423 T C 0.927 175.597 174.700 -0.050 0.000 1.012 423 T CA 0.027 62.111 62.100 -0.028 0.000 1.151 423 T CB 1.832 70.670 68.868 -0.050 0.000 0.946 423 T HN 0.449 nan 8.240 nan 0.000 0.542 424 V N 6.019 125.927 119.914 -0.011 0.000 2.446 424 V HA 0.062 4.182 4.120 -0.001 0.000 0.276 424 V C 1.302 177.360 176.094 -0.060 0.000 1.030 424 V CA 0.256 62.533 62.300 -0.038 0.000 1.033 424 V CB 0.173 31.994 31.823 -0.003 0.000 0.993 424 V HN 0.827 nan 8.190 nan 0.000 0.477 425 L N 4.068 125.233 121.223 -0.096 0.000 2.408 425 L HA 0.462 4.802 4.340 -0.001 0.000 0.215 425 L C 1.057 177.898 176.870 -0.050 0.000 1.081 425 L CA 0.730 55.514 54.840 -0.093 0.000 0.840 425 L CB 0.208 42.170 42.059 -0.162 0.000 1.002 425 L HN 0.789 nan 8.230 nan 0.000 0.468 426 G N -0.580 108.172 108.800 -0.080 0.000 2.702 426 G HA2 0.536 4.496 3.960 -0.001 0.000 0.296 426 G HA3 0.536 4.496 3.960 -0.001 0.000 0.296 426 G C -1.951 172.742 174.900 -0.345 0.000 1.463 426 G CA -0.293 44.712 45.100 -0.158 0.000 0.890 426 G HN -0.284 nan 8.290 nan 0.000 0.534 427 V N 2.378 121.918 119.914 -0.625 0.000 2.686 427 V HA 0.609 4.728 4.120 -0.001 0.000 0.306 427 V C -1.229 174.405 176.094 -0.766 0.000 1.065 427 V CA -0.932 61.053 62.300 -0.525 0.000 0.894 427 V CB 2.117 33.766 31.823 -0.291 0.000 1.004 427 V HN 0.838 nan 8.190 nan 0.000 0.424 428 H N 5.302 124.364 119.070 -0.013 0.000 2.744 428 H HA 0.658 5.213 4.556 -0.001 0.000 0.339 428 H C -1.197 174.117 175.328 -0.023 0.000 1.004 428 H CA -0.445 55.602 56.048 -0.001 0.000 1.257 428 H CB 2.233 32.003 29.762 0.014 0.000 1.552 428 H HN 0.409 nan 8.280 nan 0.000 0.522 429 L N 3.442 124.680 121.223 0.025 0.000 2.370 429 L HA 0.467 4.807 4.340 -0.001 0.000 0.266 429 L C -0.949 175.772 176.870 -0.248 0.000 1.002 429 L CA -1.099 53.678 54.840 -0.106 0.000 0.818 429 L CB 2.743 44.787 42.059 -0.025 0.000 1.325 429 L HN 0.251 nan 8.230 nan 0.000 0.418 430 L N 2.000 122.893 121.223 -0.550 0.000 2.476 430 L HA 0.965 5.305 4.340 -0.001 0.000 0.269 430 L C -0.431 175.868 176.870 -0.951 0.000 0.965 430 L CA 0.268 54.783 54.840 -0.542 0.000 0.845 430 L CB 1.788 43.633 42.059 -0.356 0.000 1.259 430 L HN 0.726 nan 8.230 nan 0.000 0.403 431 G N 2.720 111.161 108.800 -0.599 0.000 2.333 431 G HA2 0.122 4.081 3.960 -0.001 0.000 0.330 431 G HA3 0.122 4.081 3.960 -0.001 0.000 0.330 431 G C -1.812 173.114 174.900 0.044 0.000 1.465 431 G CA -0.953 43.927 45.100 -0.366 0.000 0.996 431 G HN 0.582 nan 8.290 nan 0.000 0.655 432 D N -0.000 120.540 120.400 0.233 0.000 2.472 432 D HA 0.413 5.053 4.640 -0.001 0.000 0.237 432 D C 1.586 178.028 176.300 0.238 0.000 1.141 432 D CA 2.043 56.159 54.000 0.194 0.000 0.875 432 D CB 1.035 41.961 40.800 0.211 0.000 1.192 432 D HN 1.860 nan 8.370 nan 0.000 0.450 433 G N 1.609 110.496 108.800 0.146 0.000 2.245 433 G HA2 -0.406 3.553 3.960 -0.001 0.000 0.264 433 G HA3 -0.406 3.553 3.960 -0.001 0.000 0.264 433 G C 1.287 176.266 174.900 0.132 0.000 0.985 433 G CA 1.038 46.219 45.100 0.135 0.000 0.625 433 G HN 0.722 nan 8.290 nan 0.000 0.536 434 A N 1.315 124.215 122.820 0.132 0.000 1.927 434 A HA 0.061 4.381 4.320 -0.001 0.000 0.220 434 A C 0.625 178.201 177.584 -0.013 0.000 1.185 434 A CA 2.717 54.794 52.037 0.068 0.000 0.639 434 A CB -1.208 17.739 19.000 -0.088 0.000 0.820 434 A HN 0.497 nan 8.150 nan 0.000 0.451 435 P HA -0.095 nan 4.420 nan 0.000 0.219 435 P C 1.242 178.540 177.300 -0.003 0.000 1.150 435 P CA 1.037 64.060 63.100 -0.128 0.000 0.814 435 P CB 0.044 31.550 31.700 -0.323 0.000 0.787 436 E N -0.488 119.735 120.200 0.039 0.000 2.072 436 E HA -0.061 4.288 4.350 -0.001 0.000 0.190 436 E C 2.111 178.741 176.600 0.051 0.000 0.982 436 E CA 0.888 57.322 56.400 0.056 0.000 0.803 436 E CB -0.705 29.033 29.700 0.063 0.000 0.755 436 E HN 0.324 nan 8.360 nan 0.000 0.453 437 I N 0.794 121.403 120.570 0.066 0.000 2.226 437 I HA -0.255 3.915 4.170 -0.001 0.000 0.245 437 I C 2.436 178.594 176.117 0.069 0.000 1.100 437 I CA 0.763 62.110 61.300 0.079 0.000 1.374 437 I CB -0.192 37.886 38.000 0.129 0.000 1.057 437 I HN 0.029 nan 8.210 nan 0.000 0.413 438 I N 0.720 121.321 120.570 0.051 0.000 2.830 438 I HA -0.247 3.922 4.170 -0.001 0.000 0.263 438 I C 2.370 178.507 176.117 0.032 0.000 1.230 438 I CA 1.228 62.550 61.300 0.037 0.000 1.480 438 I CB -0.341 37.663 38.000 0.005 0.000 1.095 438 I HN 0.211 nan 8.210 nan 0.000 0.455 439 Q N 1.065 120.883 119.800 0.031 0.000 2.050 439 Q HA -0.122 4.217 4.340 -0.001 0.000 0.202 439 Q C 2.149 178.162 176.000 0.022 0.000 0.980 439 Q CA 2.304 58.121 55.803 0.023 0.000 0.840 439 Q CB -0.441 28.311 28.738 0.024 0.000 0.898 439 Q HN 0.500 nan 8.270 nan 0.000 0.424 440 A N -0.572 122.263 122.820 0.026 0.000 2.066 440 A HA 0.005 4.325 4.320 -0.001 0.000 0.218 440 A C 2.166 179.768 177.584 0.030 0.000 1.157 440 A CA 1.039 53.084 52.037 0.015 0.000 0.670 440 A CB -0.417 18.586 19.000 0.004 0.000 0.804 440 A HN 0.272 nan 8.150 nan 0.000 0.453 441 V N -0.047 119.910 119.914 0.071 0.000 2.407 441 V HA -0.197 3.922 4.120 -0.001 0.000 0.248 441 V C 2.783 178.925 176.094 0.081 0.000 1.055 441 V CA 1.907 64.286 62.300 0.131 0.000 1.049 441 V CB -1.294 30.613 31.823 0.141 0.000 0.662 441 V HN 0.593 nan 8.190 nan 0.000 0.455 442 G N 0.032 108.855 108.800 0.038 0.000 2.422 442 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.218 442 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.218 442 G C 1.630 176.538 174.900 0.014 0.000 1.146 442 G CA 1.261 46.372 45.100 0.019 0.000 0.769 442 G HN 0.418 nan 8.290 nan 0.000 0.547 443 V N 0.710 120.628 119.914 0.007 0.000 2.343 443 V HA -0.235 3.885 4.120 -0.001 0.000 0.247 443 V C 3.037 179.125 176.094 -0.010 0.000 1.051 443 V CA 1.690 63.986 62.300 -0.006 0.000 1.036 443 V CB -1.068 30.745 31.823 -0.017 0.000 0.654 443 V HN 0.491 nan 8.190 nan 0.000 0.451 444 C N -0.123 119.171 119.300 -0.011 0.000 2.398 444 C HA -0.176 4.283 4.460 -0.001 0.000 0.276 444 C C 2.620 177.627 174.990 0.029 0.000 1.222 444 C CA 0.968 59.971 59.018 -0.024 0.000 1.746 444 C CB -1.218 26.496 27.740 -0.043 0.000 2.039 444 C HN 0.490 nan 8.230 nan 0.000 0.470 445 L N 0.713 121.972 121.223 0.060 0.000 2.201 445 L HA -0.027 4.313 4.340 -0.001 0.000 0.212 445 L C 2.628 179.513 176.870 0.026 0.000 1.105 445 L CA 1.454 56.325 54.840 0.052 0.000 0.775 445 L CB -0.911 41.173 42.059 0.040 0.000 0.913 445 L HN 0.340 nan 8.230 nan 0.000 0.440 446 R N -0.221 120.288 120.500 0.014 0.000 2.237 446 R HA -0.070 4.270 4.340 -0.001 0.000 0.219 446 R C 1.389 177.691 176.300 0.004 0.000 1.080 446 R CA 0.954 57.057 56.100 0.006 0.000 0.995 446 R CB -0.042 30.257 30.300 -0.002 0.000 0.875 446 R HN 0.343 nan 8.270 nan 0.000 0.462 447 L N 1.329 122.553 121.223 0.000 0.000 2.700 447 L HA 0.156 4.495 4.340 -0.001 0.000 0.234 447 L C -0.341 176.530 176.870 0.001 0.000 1.156 447 L CA -0.196 54.640 54.840 -0.007 0.000 0.946 447 L CB 0.127 42.171 42.059 -0.025 0.000 1.216 447 L HN 0.234 nan 8.230 nan 0.000 0.493 448 N N 0.371 119.080 118.700 0.015 0.000 2.740 448 N HA -0.166 4.574 4.740 -0.001 0.000 0.248 448 N C 0.339 175.865 175.510 0.027 0.000 1.062 448 N CA 0.854 53.917 53.050 0.022 0.000 0.704 448 N CB -1.095 37.403 38.487 0.019 0.000 0.968 448 N HN 0.373 nan 8.380 nan 0.000 0.547 449 A N 0.322 123.167 122.820 0.042 0.000 2.531 449 A HA 0.222 4.541 4.320 -0.001 0.000 0.236 449 A C 0.845 178.490 177.584 0.103 0.000 1.062 449 A CA 0.417 52.489 52.037 0.058 0.000 0.760 449 A CB 0.622 19.667 19.000 0.075 0.000 0.995 449 A HN 0.266 nan 8.150 nan 0.000 0.501 450 K N 1.189 121.642 120.400 0.089 0.000 2.139 450 K HA 0.336 4.656 4.320 -0.001 0.000 0.243 450 K C 0.929 177.623 176.600 0.157 0.000 0.983 450 K CA -0.784 55.555 56.287 0.087 0.000 0.890 450 K CB 1.232 33.758 32.500 0.044 0.000 1.090 450 K HN 0.562 nan 8.250 nan 0.000 0.445 451 I N 1.712 122.326 120.570 0.073 0.000 2.335 451 I HA -0.302 3.867 4.170 -0.001 0.000 0.251 451 I C 2.087 178.255 176.117 0.085 0.000 1.129 451 I CA 1.856 63.160 61.300 0.007 0.000 1.402 451 I CB -0.288 37.564 38.000 -0.247 0.000 1.069 451 I HN 0.750 nan 8.210 nan 0.000 0.424 452 S N -0.325 115.418 115.700 0.072 0.000 2.382 452 S HA -0.195 4.275 4.470 -0.001 0.000 0.228 452 S C 1.799 176.469 174.600 0.116 0.000 1.027 452 S CA 1.256 59.520 58.200 0.107 0.000 0.991 452 S CB -0.797 62.442 63.200 0.065 0.000 0.823 452 S HN 0.505 nan 8.310 nan 0.000 0.469 453 D N 1.036 121.480 120.400 0.072 0.000 2.149 453 D HA -0.041 4.598 4.640 -0.001 0.000 0.198 453 D C 1.518 177.766 176.300 -0.086 0.000 0.990 453 D CA 1.045 55.031 54.000 -0.024 0.000 0.839 453 D CB -0.451 40.301 40.800 -0.081 0.000 0.948 453 D HN 0.460 nan 8.370 nan 0.000 0.460 454 F N 0.063 120.002 119.950 -0.020 0.000 2.084 454 F HA -0.185 4.342 4.527 -0.001 0.000 0.296 454 F C 2.415 178.205 175.800 -0.016 0.000 1.111 454 F CA 0.889 58.872 58.000 -0.027 0.000 1.224 454 F CB -0.734 38.240 39.000 -0.043 0.000 0.991 454 F HN -0.052 nan 8.300 nan 0.000 0.471 455 Y N 1.289 121.653 120.300 0.107 0.000 2.207 455 Y HA -0.242 4.307 4.550 -0.001 0.000 0.287 455 Y C 2.106 178.010 175.900 0.007 0.000 1.156 455 Y CA 1.630 59.747 58.100 0.028 0.000 1.182 455 Y CB -0.631 37.821 38.460 -0.014 0.000 0.979 455 Y HN -0.008 nan 8.280 nan 0.000 0.521 456 N N -0.641 118.048 118.700 -0.018 0.000 2.457 456 N HA -0.049 4.691 4.740 -0.001 0.000 0.180 456 N C 0.226 175.647 175.510 -0.148 0.000 1.050 456 N CA 0.932 53.924 53.050 -0.097 0.000 0.906 456 N CB -0.422 38.059 38.487 -0.010 0.000 0.968 456 N HN 0.171 nan 8.380 nan 0.000 0.445 457 T N 1.871 116.344 114.554 -0.135 0.000 2.901 457 T HA 0.202 4.552 4.350 -0.001 0.000 0.301 457 T C 0.879 175.492 174.700 -0.145 0.000 1.012 457 T CA -0.179 61.843 62.100 -0.130 0.000 1.135 457 T CB 1.015 69.802 68.868 -0.135 0.000 0.936 457 T HN -0.013 nan 8.240 nan 0.000 0.539 458 I N 2.725 123.223 120.570 -0.119 0.000 2.496 458 I HA 0.226 4.395 4.170 -0.001 0.000 0.285 458 I C 1.474 177.540 176.117 -0.084 0.000 1.080 458 I CA -0.374 60.858 61.300 -0.114 0.000 1.404 458 I CB 0.551 38.498 38.000 -0.088 0.000 1.403 458 I HN 0.679 nan 8.210 nan 0.000 0.539 459 G N 5.684 114.434 108.800 -0.083 0.000 2.491 459 G HA2 0.288 4.248 3.960 -0.001 0.000 0.238 459 G HA3 0.288 4.248 3.960 -0.001 0.000 0.238 459 G C -0.207 174.686 174.900 -0.012 0.000 1.277 459 G CA -0.442 44.632 45.100 -0.043 0.000 0.851 459 G HN 0.428 nan 8.290 nan 0.000 0.573 460 V N 2.297 122.212 119.914 0.002 0.000 2.406 460 V HA 0.281 4.400 4.120 -0.001 0.000 0.272 460 V C -0.001 176.123 176.094 0.049 0.000 1.043 460 V CA -0.537 61.770 62.300 0.013 0.000 0.915 460 V CB 0.787 32.605 31.823 -0.009 0.000 0.988 460 V HN 0.850 nan 8.190 nan 0.000 0.466 461 H N 5.744 124.784 119.070 -0.050 0.000 2.538 461 H HA 0.724 5.280 4.556 -0.001 0.000 0.353 461 H C -2.630 172.672 175.328 -0.043 0.000 1.109 461 H CA -1.881 54.136 56.048 -0.053 0.000 1.192 461 H CB 2.042 31.771 29.762 -0.055 0.000 1.555 461 H HN 0.549 nan 8.280 nan 0.000 0.518 462 P HA 0.326 nan 4.420 nan 0.000 0.297 462 P C -1.258 175.917 177.300 -0.208 0.000 1.319 462 P CA -0.616 62.131 63.100 -0.589 0.000 0.810 462 P CB 1.471 32.818 31.700 -0.589 0.000 0.947 463 T N -2.138 112.353 114.554 -0.105 0.000 2.841 463 T HA 0.374 4.724 4.350 -0.001 0.000 0.296 463 T C 0.709 175.340 174.700 -0.116 0.000 1.166 463 T CA -0.565 61.480 62.100 -0.093 0.000 1.007 463 T CB 1.176 70.006 68.868 -0.064 0.000 1.253 463 T HN -0.013 nan 8.240 nan 0.000 0.511 464 S N 0.279 115.858 115.700 -0.202 0.000 2.414 464 S HA 0.129 4.598 4.470 -0.001 0.000 0.227 464 S C 2.492 176.931 174.600 -0.269 0.000 1.022 464 S CA 0.672 58.630 58.200 -0.403 0.000 0.958 464 S CB -0.778 61.751 63.200 -1.118 0.000 0.797 464 S HN 0.945 nan 8.310 nan 0.000 0.493 465 A N 2.586 125.326 122.820 -0.133 0.000 1.948 465 A HA -0.242 4.078 4.320 -0.001 0.000 0.220 465 A C 2.046 179.644 177.584 0.022 0.000 1.177 465 A CA 1.838 53.872 52.037 -0.006 0.000 0.636 465 A CB -0.796 18.218 19.000 0.023 0.000 0.815 465 A HN 0.767 nan 8.150 nan 0.000 0.449 466 E N -0.227 119.970 120.200 -0.005 0.000 2.219 466 E HA -0.262 4.088 4.350 -0.001 0.000 0.198 466 E C 1.242 177.849 176.600 0.012 0.000 0.998 466 E CA 1.298 57.701 56.400 0.006 0.000 0.818 466 E CB -0.369 29.333 29.700 0.004 0.000 0.741 466 E HN 0.591 nan 8.360 nan 0.000 0.477 467 E N 0.951 121.160 120.200 0.015 0.000 2.209 467 E HA -0.146 4.204 4.350 -0.001 0.000 0.196 467 E C 2.171 178.823 176.600 0.088 0.000 0.993 467 E CA 0.826 57.261 56.400 0.058 0.000 0.819 467 E CB -0.182 29.617 29.700 0.165 0.000 0.745 467 E HN 0.503 nan 8.360 nan 0.000 0.477 468 L N -0.499 120.782 121.223 0.096 0.000 2.376 468 L HA -0.083 4.256 4.340 -0.001 0.000 0.219 468 L C 1.753 178.707 176.870 0.142 0.000 1.133 468 L CA 0.339 55.228 54.840 0.081 0.000 0.816 468 L CB 0.053 42.180 42.059 0.114 0.000 0.933 468 L HN 0.108 nan 8.230 nan 0.000 0.449 469 C N -1.493 117.881 119.300 0.124 0.000 2.974 469 C HA 0.180 4.640 4.460 -0.001 0.000 0.282 469 C C 1.792 176.779 174.990 -0.005 0.000 1.292 469 C CA -0.152 58.917 59.018 0.085 0.000 1.710 469 C CB -0.446 27.307 27.740 0.022 0.000 2.036 469 C HN 0.331 nan 8.230 nan 0.000 0.629 470 S N 0.175 115.924 115.700 0.080 0.000 2.749 470 S HA 0.356 4.825 4.470 -0.001 0.000 0.246 470 S C 0.080 174.846 174.600 0.278 0.000 1.023 470 S CA -0.024 58.250 58.200 0.123 0.000 1.012 470 S CB 0.023 63.248 63.200 0.042 0.000 0.942 470 S HN 0.506 nan 8.310 nan 0.000 0.531 471 M N 2.341 122.109 119.600 0.280 0.000 2.181 471 M HA 0.420 4.899 4.480 -0.001 0.000 0.323 471 M C 0.793 177.092 176.300 -0.001 0.000 1.004 471 M CA -0.250 55.139 55.300 0.149 0.000 0.941 471 M CB 1.776 34.429 32.600 0.089 0.000 1.579 471 M HN 0.193 nan 8.290 nan 0.000 0.427 472 R N -0.018 120.431 120.500 -0.086 0.000 2.556 472 R HA 0.286 4.626 4.340 -0.001 0.000 0.276 472 R C -0.616 175.714 176.300 0.050 0.000 0.931 472 R CA -0.136 55.755 56.100 -0.349 0.000 1.061 472 R CB 0.598 30.316 30.300 -0.971 0.000 1.432 472 R HN 0.444 nan 8.270 nan 0.000 0.547 473 T N 3.642 118.300 114.554 0.173 0.000 2.786 473 T HA 0.420 4.770 4.350 -0.001 0.000 0.283 473 T C -2.756 171.918 174.700 -0.044 0.000 0.992 473 T CA -1.662 60.513 62.100 0.125 0.000 0.954 473 T CB 2.200 71.088 68.868 0.033 0.000 0.934 473 T HN -0.066 nan 8.240 nan 0.000 0.440 474 P HA 0.127 nan 4.420 nan 0.000 0.264 474 P C 0.551 177.500 177.300 -0.584 0.000 1.183 474 P CA 0.119 62.600 63.100 -1.032 0.000 0.763 474 P CB 0.505 31.399 31.700 -1.344 0.000 0.807 475 S N 2.018 117.404 115.700 -0.524 0.000 2.383 475 S HA -0.046 4.423 4.470 -0.001 0.000 0.227 475 S C 0.497 175.002 174.600 -0.158 0.000 1.026 475 S CA 1.232 59.287 58.200 -0.241 0.000 0.981 475 S CB -0.680 62.460 63.200 -0.099 0.000 0.818 475 S HN 0.702 nan 8.310 nan 0.000 0.472 476 Y N -2.721 117.281 120.300 -0.496 0.000 2.895 476 Y HA 0.691 5.241 4.550 -0.001 0.000 0.339 476 Y C -1.629 173.823 175.900 -0.747 0.000 1.363 476 Y CA -2.204 55.624 58.100 -0.452 0.000 1.085 476 Y CB 0.577 38.890 38.460 -0.245 0.000 1.500 476 Y HN -0.081 nan 8.280 nan 0.000 0.442 477 Y N -0.976 119.309 120.300 -0.026 0.000 2.615 477 Y HA 0.636 5.186 4.550 -0.001 0.000 0.341 477 Y C -1.625 174.190 175.900 -0.142 0.000 1.089 477 Y CA -1.438 56.606 58.100 -0.093 0.000 1.049 477 Y CB 2.177 40.560 38.460 -0.128 0.000 1.296 477 Y HN 0.567 nan 8.280 nan 0.000 0.470 478 Y N 0.660 121.094 120.300 0.224 0.000 2.341 478 Y HA 0.642 5.191 4.550 -0.001 0.000 0.338 478 Y C -0.722 175.265 175.900 0.146 0.000 0.965 478 Y CA -1.115 57.085 58.100 0.168 0.000 1.108 478 Y CB 1.805 40.349 38.460 0.141 0.000 1.180 478 Y HN 0.208 nan 8.280 nan 0.000 0.458 479 V N 4.606 124.644 119.914 0.206 0.000 2.378 479 V HA 0.257 4.376 4.120 -0.001 0.000 0.288 479 V C 0.049 176.221 176.094 0.130 0.000 1.016 479 V CA -1.595 60.788 62.300 0.138 0.000 0.840 479 V CB 1.399 33.255 31.823 0.055 0.000 0.994 479 V HN 0.667 nan 8.190 nan 0.000 0.431 480 K N 4.043 124.519 120.400 0.127 0.000 3.602 480 K HA -0.258 4.061 4.320 -0.001 0.000 0.274 480 K C 1.223 177.895 176.600 0.120 0.000 0.864 480 K CA 1.027 57.377 56.287 0.105 0.000 0.682 480 K CB -1.282 31.260 32.500 0.069 0.000 1.576 480 K HN 1.692 nan 8.250 nan 0.000 0.447 481 G N -0.463 108.442 108.800 0.176 0.000 2.205 481 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.261 481 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.261 481 G C -0.088 174.977 174.900 0.275 0.000 0.980 481 G CA 0.563 45.783 45.100 0.200 0.000 0.632 481 G HN 0.516 nan 8.290 nan 0.000 0.533 482 E N 0.751 121.077 120.200 0.211 0.000 2.134 482 E HA 0.414 4.763 4.350 -0.001 0.000 0.278 482 E C 0.054 176.671 176.600 0.028 0.000 0.959 482 E CA -0.708 55.767 56.400 0.125 0.000 0.783 482 E CB 0.572 30.309 29.700 0.063 0.000 1.095 482 E HN 0.261 nan 8.360 nan 0.000 0.399 483 K N 5.870 126.207 120.400 -0.105 0.000 2.276 483 K HA 0.257 4.576 4.320 -0.001 0.000 0.283 483 K C -0.513 175.950 176.600 -0.230 0.000 1.044 483 K CA -0.068 55.957 56.287 -0.437 0.000 0.944 483 K CB 0.404 32.597 32.500 -0.512 0.000 1.012 483 K HN 0.571 nan 8.250 nan 0.000 0.472 484 M N 1.838 121.337 119.600 -0.169 0.000 2.373 484 M HA 0.159 4.638 4.480 -0.001 0.000 0.290 484 M C 0.183 176.517 176.300 0.056 0.000 1.143 484 M CA -0.765 54.502 55.300 -0.055 0.000 0.949 484 M CB 1.789 34.373 32.600 -0.026 0.000 1.756 484 M HN 0.670 nan 8.290 nan 0.000 0.494 485 E N 2.303 122.525 120.200 0.037 0.000 2.085 485 E HA -0.099 4.251 4.350 -0.001 0.000 0.194 485 E C -0.366 176.352 176.600 0.197 0.000 0.994 485 E CA 1.775 58.235 56.400 0.100 0.000 0.801 485 E CB 0.463 30.184 29.700 0.035 0.000 0.743 485 E HN 0.659 nan 8.360 nan 0.000 0.453 486 K N -0.319 120.145 120.400 0.106 0.000 2.350 486 K HA 0.453 4.772 4.320 -0.001 0.000 0.241 486 K C -0.932 175.557 176.600 -0.187 0.000 0.994 486 K CA -0.651 55.649 56.287 0.021 0.000 0.839 486 K CB 1.686 34.179 32.500 -0.011 0.000 1.244 486 K HN -0.031 nan 8.250 nan 0.000 0.443 487 L N 3.492 124.464 121.223 -0.419 0.000 2.349 487 L HA 0.361 4.701 4.340 -0.001 0.000 0.275 487 L C -1.354 175.399 176.870 -0.196 0.000 1.115 487 L CA -1.673 52.908 54.840 -0.432 0.000 0.820 487 L CB 0.457 42.190 42.059 -0.542 0.000 1.135 487 L HN 0.638 nan 8.230 nan 0.000 0.445 488 P HA 0.000 nan 4.420 nan 0.000 0.216 488 P CA 0.000 63.054 63.100 -0.077 0.000 0.800 488 P CB 0.000 31.668 31.700 -0.053 0.000 0.726