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 2wp6_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 0.000 174.380 174.600 -0.366 0.000 1.055 -1 S CA 0.000 58.032 58.200 -0.279 0.000 1.107 -1 S CB 0.000 63.145 63.200 -0.092 0.000 0.593 0 H N 2.763 121.848 119.070 0.025 0.000 2.512 0 H HA 0.388 4.944 4.556 -0.001 0.000 0.276 0 H C -0.289 175.048 175.328 0.016 0.000 1.126 0 H CA 0.064 56.125 56.048 0.022 0.000 1.060 0 H CB 0.135 29.907 29.762 0.016 0.000 1.646 0 H HN 0.406 nan 8.280 nan 0.000 0.571 1 M N 1.033 120.673 119.600 0.066 0.000 2.436 1 M HA 0.245 4.724 4.480 -0.001 0.000 0.331 1 M C 0.756 177.073 176.300 0.028 0.000 1.135 1 M CA -0.777 54.548 55.300 0.042 0.000 0.987 1 M CB 2.167 34.780 32.600 0.022 0.000 1.687 1 M HN 0.023 nan 8.290 nan 0.000 0.445 2 S N 2.587 118.297 115.700 0.016 0.000 2.576 2 S HA 0.296 4.765 4.470 -0.001 0.000 0.272 2 S C -0.372 174.221 174.600 -0.012 0.000 1.352 2 S CA -0.346 57.855 58.200 0.003 0.000 1.021 2 S CB 0.651 63.848 63.200 -0.005 0.000 0.887 2 S HN 0.621 nan 8.310 nan 0.000 0.542 3 K N 0.869 121.264 120.400 -0.008 0.000 2.259 3 K HA 0.751 5.070 4.320 -0.001 0.000 0.249 3 K C -0.615 175.861 176.600 -0.206 0.000 0.942 3 K CA -0.817 55.413 56.287 -0.096 0.000 0.816 3 K CB 1.992 34.517 32.500 0.043 0.000 1.155 3 K HN 0.762 nan 8.250 nan 0.000 0.428 4 A N 2.183 124.685 122.820 -0.530 0.000 2.340 4 A HA 0.871 5.190 4.320 -0.001 0.000 0.331 4 A C -1.238 175.840 177.584 -0.844 0.000 1.140 4 A CA -0.613 51.179 52.037 -0.408 0.000 0.801 4 A CB 0.524 19.405 19.000 -0.199 0.000 1.234 4 A HN 0.579 nan 8.150 nan 0.000 0.469 5 F N -0.308 119.659 119.950 0.028 0.000 2.626 5 F HA 0.337 4.864 4.527 -0.001 0.000 0.311 5 F C 0.670 176.516 175.800 0.076 0.000 1.088 5 F CA -0.730 57.300 58.000 0.051 0.000 0.949 5 F CB 1.831 40.868 39.000 0.062 0.000 1.322 5 F HN 0.610 nan 8.300 nan 0.000 0.461 6 D N 0.540 121.092 120.400 0.254 0.000 2.144 6 D HA -0.031 4.609 4.640 -0.001 0.000 0.200 6 D C 0.003 176.544 176.300 0.401 0.000 0.978 6 D CA 1.688 55.846 54.000 0.263 0.000 0.833 6 D CB 0.444 41.295 40.800 0.086 0.000 0.961 6 D HN 0.152 nan 8.370 nan 0.000 0.470 7 L N 0.683 122.100 121.223 0.323 0.000 2.476 7 L HA 0.302 4.642 4.340 -0.001 0.000 0.269 7 L C -1.370 175.619 176.870 0.198 0.000 0.965 7 L CA -0.607 54.428 54.840 0.326 0.000 0.845 7 L CB 2.300 44.519 42.059 0.267 0.000 1.259 7 L HN -0.368 nan 8.230 nan 0.000 0.403 8 V N 5.641 125.653 119.914 0.163 0.000 2.398 8 V HA 0.583 4.702 4.120 -0.001 0.000 0.286 8 V C -0.396 175.738 176.094 0.066 0.000 1.026 8 V CA -0.621 61.691 62.300 0.019 0.000 0.868 8 V CB 1.872 33.672 31.823 -0.038 0.000 0.982 8 V HN 0.520 nan 8.190 nan 0.000 0.443 9 V N 6.547 126.486 119.914 0.040 0.000 2.417 9 V HA 0.480 4.599 4.120 -0.001 0.000 0.291 9 V C -0.115 176.000 176.094 0.035 0.000 1.024 9 V CA -0.434 61.914 62.300 0.081 0.000 0.861 9 V CB 1.688 33.583 31.823 0.119 0.000 0.985 9 V HN 0.674 nan 8.190 nan 0.000 0.436 10 I N 4.549 125.141 120.570 0.037 0.000 2.297 10 I HA 0.690 4.859 4.170 -0.001 0.000 0.291 10 I C 0.732 176.863 176.117 0.023 0.000 1.033 10 I CA -0.021 61.280 61.300 0.002 0.000 1.253 10 I CB 1.117 39.117 38.000 -0.001 0.000 1.396 10 I HN 0.871 nan 8.210 nan 0.000 0.476 11 G N 4.581 113.387 108.800 0.011 0.000 3.199 11 G HA2 0.103 4.063 3.960 -0.001 0.000 0.680 11 G HA3 0.103 4.063 3.960 -0.001 0.000 0.680 11 G C -0.234 174.729 174.900 0.105 0.000 1.197 11 G CA -0.444 44.683 45.100 0.046 0.000 1.143 11 G HN 0.909 nan 8.290 nan 0.000 0.492 12 A N 1.522 124.428 122.820 0.143 0.000 3.135 12 A HA 0.747 5.066 4.320 -0.001 0.000 0.253 12 A C 1.335 179.024 177.584 0.176 0.000 1.638 12 A CA 1.254 53.423 52.037 0.219 0.000 1.295 12 A CB -0.298 18.900 19.000 0.330 0.000 1.106 12 A HN 2.001 nan 8.150 nan 0.000 0.648 13 G N -1.012 107.871 108.800 0.139 0.000 3.217 13 G HA2 0.414 4.373 3.960 -0.001 0.000 0.213 13 G HA3 0.414 4.373 3.960 -0.001 0.000 0.213 13 G C 1.007 175.963 174.900 0.093 0.000 1.294 13 G CA 0.491 45.665 45.100 0.123 0.000 0.987 13 G HN 0.212 nan 8.290 nan 0.000 0.584 14 S N -0.178 115.576 115.700 0.090 0.000 2.369 14 S HA -0.157 4.313 4.470 -0.001 0.000 0.225 14 S C 2.433 177.069 174.600 0.059 0.000 1.043 14 S CA 2.078 60.318 58.200 0.065 0.000 1.074 14 S CB -0.806 62.439 63.200 0.075 0.000 0.962 14 S HN 0.817 nan 8.310 nan 0.000 0.433 15 G N 0.781 109.628 108.800 0.079 0.000 2.404 15 G HA2 0.030 3.989 3.960 -0.001 0.000 0.215 15 G HA3 0.030 3.989 3.960 -0.001 0.000 0.215 15 G C 1.451 176.405 174.900 0.089 0.000 1.174 15 G CA 0.869 46.018 45.100 0.081 0.000 0.780 15 G HN 0.575 nan 8.290 nan 0.000 0.537 16 G N 0.735 109.597 108.800 0.102 0.000 2.418 16 G HA2 -0.112 3.848 3.960 -0.001 0.000 0.217 16 G HA3 -0.112 3.848 3.960 -0.001 0.000 0.217 16 G C 1.784 176.762 174.900 0.129 0.000 1.158 16 G CA 0.610 45.783 45.100 0.121 0.000 0.771 16 G HN 0.405 nan 8.290 nan 0.000 0.545 17 L N -0.146 121.138 121.223 0.101 0.000 2.109 17 L HA 0.044 4.384 4.340 -0.001 0.000 0.207 17 L C 2.733 179.635 176.870 0.054 0.000 1.086 17 L CA 1.136 56.015 54.840 0.066 0.000 0.760 17 L CB -0.211 41.818 42.059 -0.051 0.000 0.910 17 L HN 0.236 nan 8.230 nan 0.000 0.437 18 E N 0.720 120.945 120.200 0.042 0.000 2.072 18 E HA -0.186 4.163 4.350 -0.001 0.000 0.191 18 E C 2.136 178.814 176.600 0.131 0.000 0.985 18 E CA 1.531 57.970 56.400 0.065 0.000 0.801 18 E CB -0.050 29.672 29.700 0.038 0.000 0.750 18 E HN 0.346 nan 8.360 nan 0.000 0.452 19 A N 0.377 123.269 122.820 0.121 0.000 1.877 19 A HA -0.043 4.276 4.320 -0.001 0.000 0.216 19 A C 2.465 180.135 177.584 0.144 0.000 1.186 19 A CA 1.893 54.012 52.037 0.137 0.000 0.620 19 A CB -1.521 17.558 19.000 0.131 0.000 0.822 19 A HN 0.421 nan 8.150 nan 0.000 0.443 20 G N -0.984 107.904 108.800 0.146 0.000 2.586 20 G HA2 -0.355 3.605 3.960 -0.001 0.000 0.218 20 G HA3 -0.355 3.605 3.960 -0.001 0.000 0.218 20 G C 1.530 176.491 174.900 0.102 0.000 1.216 20 G CA 1.128 46.309 45.100 0.136 0.000 0.786 20 G HN 0.673 nan 8.290 nan 0.000 0.583 21 W N 1.798 123.041 121.300 -0.095 0.000 2.317 21 W HA -0.195 4.464 4.660 -0.001 0.000 0.318 21 W C 2.296 178.752 176.519 -0.105 0.000 1.227 21 W CA 1.871 59.132 57.345 -0.139 0.000 1.269 21 W CB -0.446 28.910 29.460 -0.174 0.000 1.155 21 W HN 0.205 nan 8.180 nan 0.000 0.484 22 N N 0.722 119.485 118.700 0.106 0.000 2.069 22 N HA -0.173 4.566 4.740 -0.001 0.000 0.191 22 N C 1.940 177.382 175.510 -0.114 0.000 1.031 22 N CA 2.609 55.647 53.050 -0.020 0.000 0.852 22 N CB -1.214 37.337 38.487 0.108 0.000 1.018 22 N HN 0.200 nan 8.380 nan 0.000 0.423 23 A N 0.513 123.325 122.820 -0.013 0.000 1.883 23 A HA -0.019 4.300 4.320 -0.001 0.000 0.217 23 A C 2.290 179.769 177.584 -0.176 0.000 1.186 23 A CA 2.152 54.156 52.037 -0.055 0.000 0.624 23 A CB -0.953 17.976 19.000 -0.119 0.000 0.822 23 A HN 0.349 nan 8.150 nan 0.000 0.444 24 A N -0.696 121.990 122.820 -0.225 0.000 1.843 24 A HA -0.009 4.310 4.320 -0.001 0.000 0.213 24 A C 2.481 179.852 177.584 -0.355 0.000 1.202 24 A CA 2.431 54.313 52.037 -0.258 0.000 0.607 24 A CB -1.303 17.549 19.000 -0.246 0.000 0.847 24 A HN 0.761 nan 8.150 nan 0.000 0.445 25 T N -1.960 112.251 114.554 -0.572 0.000 2.942 25 T HA 0.090 4.439 4.350 -0.001 0.000 0.265 25 T C 1.798 176.230 174.700 -0.447 0.000 1.062 25 T CA 1.274 63.011 62.100 -0.606 0.000 1.139 25 T CB -0.339 67.909 68.868 -1.034 0.000 0.883 25 T HN 0.241 nan 8.240 nan 0.000 0.468 26 L N -1.495 119.431 121.223 -0.495 0.000 2.168 26 L HA 0.213 4.553 4.340 -0.001 0.000 0.203 26 L C 1.700 178.193 176.870 -0.629 0.000 1.078 26 L CA 0.971 55.432 54.840 -0.631 0.000 0.780 26 L CB -0.179 41.309 42.059 -0.951 0.000 0.939 26 L HN 0.233 nan 8.230 nan 0.000 0.451 27 Y N -0.645 119.586 120.300 -0.115 0.000 2.557 27 Y HA 0.380 4.930 4.550 -0.001 0.000 0.247 27 Y C 1.540 177.372 175.900 -0.114 0.000 1.164 27 Y CA -0.196 57.853 58.100 -0.085 0.000 1.218 27 Y CB 0.202 38.638 38.460 -0.040 0.000 1.210 27 Y HN 0.193 nan 8.280 nan 0.000 0.529 28 G N 0.821 109.586 108.800 -0.059 0.000 2.179 28 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.257 28 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.257 28 G C 0.203 175.051 174.900 -0.086 0.000 1.010 28 G CA -0.045 45.010 45.100 -0.075 0.000 0.736 28 G HN 0.130 nan 8.290 nan 0.000 0.513 29 K N -0.037 120.273 120.400 -0.149 0.000 2.202 29 K HA 0.335 4.654 4.320 -0.001 0.000 0.264 29 K C 0.789 177.329 176.600 -0.101 0.000 1.010 29 K CA -0.388 55.776 56.287 -0.204 0.000 0.940 29 K CB 0.804 32.993 32.500 -0.519 0.000 0.983 29 K HN 0.351 nan 8.250 nan 0.000 0.475 30 R N 1.015 121.502 120.500 -0.023 0.000 2.202 30 R HA 0.276 4.615 4.340 -0.001 0.000 0.334 30 R C -0.442 175.999 176.300 0.235 0.000 1.036 30 R CA -0.467 55.700 56.100 0.112 0.000 0.878 30 R CB 0.754 31.114 30.300 0.101 0.000 1.067 30 R HN 0.216 nan 8.270 nan 0.000 0.457 31 V N 2.202 122.265 119.914 0.248 0.000 2.555 31 V HA 0.643 4.763 4.120 -0.001 0.000 0.302 31 V C -0.113 176.049 176.094 0.112 0.000 1.038 31 V CA -0.905 61.501 62.300 0.176 0.000 0.887 31 V CB 1.778 33.660 31.823 0.098 0.000 0.991 31 V HN 0.878 nan 8.190 nan 0.000 0.434 32 A N 4.117 126.789 122.820 -0.247 0.000 2.350 32 A HA 0.913 5.232 4.320 -0.001 0.000 0.324 32 A C -0.956 176.562 177.584 -0.110 0.000 1.118 32 A CA -0.578 51.196 52.037 -0.439 0.000 0.783 32 A CB 1.703 19.893 19.000 -1.350 0.000 1.236 32 A HN 0.701 nan 8.150 nan 0.000 0.457 33 V N 2.473 122.410 119.914 0.038 0.000 2.588 33 V HA 0.495 4.614 4.120 -0.001 0.000 0.304 33 V C -0.467 175.533 176.094 -0.158 0.000 1.042 33 V CA -0.571 61.758 62.300 0.049 0.000 0.877 33 V CB 1.663 33.672 31.823 0.310 0.000 0.996 33 V HN 0.681 nan 8.190 nan 0.000 0.425 34 V N 3.430 123.243 119.914 -0.168 0.000 2.435 34 V HA 0.655 4.774 4.120 -0.001 0.000 0.290 34 V C -0.459 175.494 176.094 -0.235 0.000 1.030 34 V CA -0.302 61.813 62.300 -0.308 0.000 0.881 34 V CB 1.679 33.372 31.823 -0.217 0.000 0.983 34 V HN 0.927 nan 8.190 nan 0.000 0.445 35 D N 1.531 121.741 120.400 -0.317 0.000 2.596 35 D HA 0.357 4.997 4.640 -0.001 0.000 0.262 35 D C 0.467 176.632 176.300 -0.226 0.000 1.210 35 D CA -0.301 53.620 54.000 -0.132 0.000 0.873 35 D CB 2.994 43.912 40.800 0.196 0.000 1.408 35 D HN 0.386 nan 8.370 nan 0.000 0.441 36 V N -0.901 118.792 119.914 -0.368 0.000 3.235 36 V HA 0.304 4.423 4.120 -0.001 0.000 0.259 36 V C 0.468 176.494 176.094 -0.113 0.000 1.133 36 V CA 0.872 62.830 62.300 -0.569 0.000 1.128 36 V CB 0.068 31.100 31.823 -1.319 0.000 0.757 36 V HN 0.406 nan 8.190 nan 0.000 0.469 37 Q N -0.231 119.596 119.800 0.044 0.000 2.340 37 Q HA 0.386 4.726 4.340 -0.001 0.000 0.276 37 Q C 0.625 176.689 176.000 0.107 0.000 1.048 37 Q CA 0.381 56.258 55.803 0.122 0.000 0.832 37 Q CB 2.403 31.233 28.738 0.154 0.000 1.373 37 Q HN 0.443 nan 8.270 nan 0.000 0.409 38 T N -2.205 112.380 114.554 0.051 0.000 3.054 38 T HA 0.127 4.476 4.350 -0.001 0.000 0.259 38 T C 0.725 175.389 174.700 -0.059 0.000 1.092 38 T CA 0.829 62.890 62.100 -0.066 0.000 1.121 38 T CB 0.110 68.933 68.868 -0.074 0.000 0.912 38 T HN 0.448 nan 8.240 nan 0.000 0.489 39 S N 0.707 116.390 115.700 -0.028 0.000 2.685 39 S HA 0.524 4.993 4.470 -0.001 0.000 0.282 39 S C -0.583 173.998 174.600 -0.031 0.000 1.159 39 S CA -1.065 57.123 58.200 -0.021 0.000 0.833 39 S CB 0.908 64.074 63.200 -0.057 0.000 1.151 39 S HN 0.721 nan 8.310 nan 0.000 0.485 40 H N -0.351 118.729 119.070 0.015 0.000 2.757 40 H HA 0.680 5.235 4.556 -0.001 0.000 0.370 40 H C 0.783 176.119 175.328 0.014 0.000 1.172 40 H CA 0.339 56.422 56.048 0.059 0.000 1.426 40 H CB -0.119 29.702 29.762 0.099 0.000 1.438 40 H HN 1.656 nan 8.280 nan 0.000 0.612 41 G N 0.820 109.619 108.800 -0.001 0.000 2.498 41 G HA2 -0.122 3.838 3.960 -0.001 0.000 0.651 41 G HA3 -0.122 3.838 3.960 -0.001 0.000 0.651 41 G C -2.920 171.495 174.900 -0.808 0.000 1.284 41 G CA -0.865 43.912 45.100 -0.538 0.000 0.950 41 G HN 0.777 nan 8.290 nan 0.000 0.511 42 P HA 0.142 nan 4.420 nan 0.000 0.264 42 P C -1.565 175.353 177.300 -0.636 0.000 1.179 42 P CA -0.266 62.233 63.100 -1.001 0.000 0.763 42 P CB 0.443 31.760 31.700 -0.639 0.000 0.806 43 P HA 0.111 nan 4.420 nan 0.000 0.245 43 P C 0.387 177.342 177.300 -0.574 0.000 1.199 43 P CA 0.941 63.591 63.100 -0.749 0.000 0.807 43 P CB 0.247 31.375 31.700 -0.953 0.000 1.002 44 F N -2.744 117.150 119.950 -0.093 0.000 2.724 44 F HA 0.235 4.761 4.527 -0.001 0.000 0.306 44 F C 1.223 177.292 175.800 0.449 0.000 1.100 44 F CA -0.453 57.705 58.000 0.263 0.000 1.255 44 F CB -0.366 38.769 39.000 0.225 0.000 1.072 44 F HN -0.269 nan 8.300 nan 0.000 0.589 45 Y N -1.224 119.253 120.300 0.295 0.000 2.780 45 Y HA -0.383 4.167 4.550 -0.001 0.000 0.473 45 Y C 1.613 177.658 175.900 0.242 0.000 1.162 45 Y CA -0.037 58.205 58.100 0.237 0.000 2.738 45 Y CB -2.027 36.589 38.460 0.260 0.000 1.121 45 Y HN -0.013 nan 8.280 nan 0.000 0.600 46 A N 2.108 125.206 122.820 0.464 0.000 2.492 46 A HA 0.600 4.919 4.320 -0.001 0.000 0.236 46 A C 0.573 178.296 177.584 0.232 0.000 1.078 46 A CA 1.000 53.223 52.037 0.310 0.000 0.773 46 A CB -0.010 19.186 19.000 0.326 0.000 1.023 46 A HN 1.577 nan 8.150 nan 0.000 0.504 47 A N 0.081 123.002 122.820 0.167 0.000 2.483 47 A HA 0.546 4.866 4.320 -0.001 0.000 0.306 47 A C -0.638 177.017 177.584 0.120 0.000 1.137 47 A CA -0.539 51.572 52.037 0.124 0.000 0.626 47 A CB -0.197 18.869 19.000 0.109 0.000 1.352 47 A HN 2.029 nan 8.150 nan 0.000 0.508 48 L N 1.102 122.375 121.223 0.082 0.000 2.776 48 L HA 0.339 4.678 4.340 -0.001 0.000 0.283 48 L C 1.288 178.262 176.870 0.173 0.000 1.194 48 L CA 2.898 57.777 54.840 0.065 0.000 0.947 48 L CB -0.496 41.469 42.059 -0.157 0.000 1.255 48 L HN 2.205 nan 8.230 nan 0.000 0.481 49 G N 1.798 110.744 108.800 0.243 0.000 2.391 49 G HA2 0.211 4.170 3.960 -0.001 0.000 0.204 49 G HA3 0.211 4.170 3.960 -0.001 0.000 0.204 49 G C 1.151 176.170 174.900 0.198 0.000 1.012 49 G CA 0.193 45.477 45.100 0.308 0.000 0.651 49 G HN 2.101 nan 8.290 nan 0.000 0.494 50 G N -1.377 107.520 108.800 0.163 0.000 2.627 50 G HA2 0.149 4.108 3.960 -0.001 0.000 0.214 50 G HA3 0.149 4.108 3.960 -0.001 0.000 0.214 50 G C 0.668 175.651 174.900 0.138 0.000 1.331 50 G CA 0.775 45.963 45.100 0.147 0.000 0.891 50 G HN 1.193 nan 8.290 nan 0.000 0.539 51 T N -0.457 114.182 114.554 0.142 0.000 2.896 51 T HA -0.082 4.267 4.350 -0.001 0.000 0.263 51 T C 2.432 177.182 174.700 0.083 0.000 1.050 51 T CA 2.370 64.551 62.100 0.134 0.000 1.140 51 T CB -0.474 68.493 68.868 0.165 0.000 0.877 51 T HN 1.024 nan 8.240 nan 0.000 0.457 52 c N 1.119 119.775 118.600 0.092 0.000 2.432 52 c HA -0.020 4.550 4.570 -0.001 0.000 0.277 52 c C 2.721 176.820 174.090 0.015 0.000 1.249 52 c CA 0.514 56.885 56.329 0.071 0.000 1.725 52 c CB -1.165 41.395 42.510 0.084 0.000 2.028 52 c HN 0.348 nan 8.230 nan 0.000 0.477 53 V N 1.852 121.784 119.914 0.030 0.000 2.427 53 V HA -0.139 3.980 4.120 -0.001 0.000 0.248 53 V C 2.321 178.369 176.094 -0.076 0.000 1.051 53 V CA 2.281 64.575 62.300 -0.010 0.000 1.048 53 V CB -0.671 31.185 31.823 0.055 0.000 0.666 53 V HN 0.596 nan 8.190 nan 0.000 0.456 54 N N 0.241 118.917 118.700 -0.041 0.000 2.333 54 N HA 0.008 4.747 4.740 -0.001 0.000 0.183 54 N C 0.967 176.344 175.510 -0.222 0.000 1.030 54 N CA 1.741 54.765 53.050 -0.044 0.000 0.867 54 N CB 0.718 39.267 38.487 0.103 0.000 1.027 54 N HN 0.504 nan 8.380 nan 0.000 0.435 55 V N -2.378 117.368 119.914 -0.280 0.000 2.724 55 V HA 0.720 4.839 4.120 -0.001 0.000 0.341 55 V C 0.270 176.116 176.094 -0.414 0.000 1.254 55 V CA -0.438 61.412 62.300 -0.750 0.000 1.261 55 V CB 0.577 32.233 31.823 -0.278 0.000 1.445 55 V HN 0.192 nan 8.190 nan 0.000 0.652 56 G N -0.045 108.626 108.800 -0.216 0.000 3.433 56 G HA2 0.230 4.189 3.960 -0.001 0.000 0.173 56 G HA3 0.230 4.189 3.960 -0.001 0.000 0.173 56 G C 0.865 175.833 174.900 0.113 0.000 1.196 56 G CA 0.647 45.802 45.100 0.092 0.000 1.062 56 G HN 0.345 nan 8.290 nan 0.000 0.699 57 c N 0.287 118.947 118.600 0.100 0.000 2.413 57 c HA 0.050 4.619 4.570 -0.001 0.000 0.276 57 c C 2.839 176.913 174.090 -0.025 0.000 1.236 57 c CA 0.959 57.331 56.329 0.072 0.000 1.735 57 c CB -1.438 41.116 42.510 0.073 0.000 2.031 57 c HN 0.254 nan 8.230 nan 0.000 0.474 58 V N 3.124 123.007 119.914 -0.050 0.000 2.223 58 V HA -0.149 3.971 4.120 -0.001 0.000 0.244 58 V C 0.376 176.396 176.094 -0.124 0.000 1.045 58 V CA 2.718 64.958 62.300 -0.099 0.000 1.000 58 V CB -2.047 29.715 31.823 -0.101 0.000 0.635 58 V HN 0.360 nan 8.190 nan 0.000 0.445 59 P HA -0.220 nan 4.420 nan 0.000 0.215 59 P C 1.470 178.774 177.300 0.008 0.000 1.153 59 P CA 2.060 65.099 63.100 -0.100 0.000 0.853 59 P CB -0.109 31.464 31.700 -0.213 0.000 0.788 60 K N 1.091 121.551 120.400 0.101 0.000 2.057 60 K HA -0.178 4.142 4.320 -0.001 0.000 0.207 60 K C 2.203 178.680 176.600 -0.205 0.000 1.049 60 K CA 1.796 58.055 56.287 -0.047 0.000 0.931 60 K CB -1.032 31.471 32.500 0.004 0.000 0.714 60 K HN -0.122 nan 8.250 nan 0.000 0.440 61 K N 1.089 121.345 120.400 -0.240 0.000 2.063 61 K HA -0.015 4.304 4.320 -0.001 0.000 0.208 61 K C 1.936 178.369 176.600 -0.280 0.000 1.048 61 K CA 1.624 57.674 56.287 -0.395 0.000 0.928 61 K CB -0.453 31.768 32.500 -0.466 0.000 0.713 61 K HN 0.326 nan 8.250 nan 0.000 0.442 62 L N -0.266 120.834 121.223 -0.205 0.000 2.046 62 L HA -0.181 4.158 4.340 -0.001 0.000 0.208 62 L C 2.528 179.304 176.870 -0.156 0.000 1.077 62 L CA 1.606 56.349 54.840 -0.161 0.000 0.747 62 L CB -0.375 41.594 42.059 -0.151 0.000 0.896 62 L HN 0.268 nan 8.230 nan 0.000 0.432 63 M N -1.287 118.192 119.600 -0.202 0.000 2.200 63 M HA -0.134 4.345 4.480 -0.001 0.000 0.265 63 M C 2.234 178.441 176.300 -0.154 0.000 1.066 63 M CA 1.051 56.212 55.300 -0.232 0.000 1.127 63 M CB -0.214 32.175 32.600 -0.353 0.000 1.379 63 M HN 0.007 nan 8.290 nan 0.000 0.420 64 V N -0.018 119.782 119.914 -0.191 0.000 2.343 64 V HA -0.245 3.875 4.120 -0.001 0.000 0.247 64 V C 2.294 178.329 176.094 -0.098 0.000 1.051 64 V CA 2.175 64.396 62.300 -0.131 0.000 1.036 64 V CB -1.007 30.743 31.823 -0.122 0.000 0.654 64 V HN 0.494 nan 8.190 nan 0.000 0.451 65 T N 0.416 114.891 114.554 -0.132 0.000 2.652 65 T HA -0.146 4.203 4.350 -0.001 0.000 0.267 65 T C 1.952 176.563 174.700 -0.147 0.000 1.039 65 T CA 1.676 63.682 62.100 -0.156 0.000 1.153 65 T CB -0.771 68.015 68.868 -0.136 0.000 0.863 65 T HN 0.619 nan 8.240 nan 0.000 0.428 66 G N 1.129 109.964 108.800 0.058 0.000 2.469 66 G HA2 -0.132 3.827 3.960 -0.001 0.000 0.219 66 G HA3 -0.132 3.827 3.960 -0.001 0.000 0.219 66 G C 1.779 176.876 174.900 0.327 0.000 1.150 66 G CA 1.001 46.303 45.100 0.336 0.000 0.763 66 G HN 0.606 nan 8.290 nan 0.000 0.561 67 A N 0.144 123.115 122.820 0.252 0.000 2.015 67 A HA 0.002 4.321 4.320 -0.001 0.000 0.219 67 A C 2.283 179.853 177.584 -0.023 0.000 1.163 67 A CA 1.649 53.786 52.037 0.166 0.000 0.646 67 A CB -0.299 18.799 19.000 0.164 0.000 0.806 67 A HN 0.480 nan 8.150 nan 0.000 0.448 68 Q N -1.558 118.156 119.800 -0.143 0.000 2.291 68 Q HA -0.183 4.156 4.340 -0.001 0.000 0.206 68 Q C 1.401 177.199 176.000 -0.338 0.000 0.976 68 Q CA 1.364 56.986 55.803 -0.301 0.000 0.875 68 Q CB -0.314 28.184 28.738 -0.399 0.000 0.927 68 Q HN 0.840 nan 8.270 nan 0.000 0.450 69 Y N 0.105 120.383 120.300 -0.036 0.000 2.403 69 Y HA -0.178 4.372 4.550 -0.001 0.000 0.291 69 Y C 2.122 178.010 175.900 -0.020 0.000 1.143 69 Y CA 0.877 58.992 58.100 0.024 0.000 1.257 69 Y CB -0.313 38.155 38.460 0.013 0.000 0.984 69 Y HN 0.175 nan 8.280 nan 0.000 0.550 70 M N -0.066 119.571 119.600 0.061 0.000 2.080 70 M HA -0.259 4.221 4.480 -0.001 0.000 0.260 70 M C 1.332 177.666 176.300 0.057 0.000 1.068 70 M CA 2.140 57.460 55.300 0.034 0.000 1.109 70 M CB -0.100 32.491 32.600 -0.015 0.000 1.342 70 M HN 0.090 nan 8.290 nan 0.000 0.405 71 D N -0.636 119.756 120.400 -0.014 0.000 2.097 71 D HA -0.173 4.466 4.640 -0.001 0.000 0.197 71 D C 1.944 178.277 176.300 0.055 0.000 0.984 71 D CA 1.252 55.245 54.000 -0.013 0.000 0.826 71 D CB -0.436 40.300 40.800 -0.106 0.000 0.973 71 D HN 0.438 nan 8.370 nan 0.000 0.460 72 H N 0.258 119.388 119.070 0.100 0.000 2.321 72 H HA -0.030 4.525 4.556 -0.001 0.000 0.300 72 H C 2.380 177.793 175.328 0.142 0.000 1.087 72 H CA 0.738 56.850 56.048 0.107 0.000 1.319 72 H CB -0.637 29.192 29.762 0.112 0.000 1.379 72 H HN 0.168 nan 8.280 nan 0.000 0.501 73 L N 0.175 121.571 121.223 0.288 0.000 2.012 73 L HA -0.215 4.125 4.340 -0.001 0.000 0.210 73 L C 2.797 179.908 176.870 0.402 0.000 1.073 73 L CA 1.666 56.693 54.840 0.312 0.000 0.748 73 L CB -0.471 41.739 42.059 0.252 0.000 0.891 73 L HN 0.202 nan 8.230 nan 0.000 0.431 74 R N 0.611 121.278 120.500 0.278 0.000 2.092 74 R HA -0.154 4.186 4.340 -0.001 0.000 0.231 74 R C 1.992 178.430 176.300 0.231 0.000 1.119 74 R CA 1.467 57.699 56.100 0.220 0.000 0.970 74 R CB -0.017 30.378 30.300 0.159 0.000 0.864 74 R HN 0.427 nan 8.270 nan 0.000 0.440 75 E N 0.194 120.551 120.200 0.262 0.000 2.285 75 E HA -0.088 4.261 4.350 -0.001 0.000 0.194 75 E C 1.839 178.684 176.600 0.407 0.000 0.997 75 E CA 0.962 57.546 56.400 0.307 0.000 0.845 75 E CB 0.181 30.076 29.700 0.324 0.000 0.782 75 E HN 0.452 nan 8.360 nan 0.000 0.491 76 S N 1.158 117.085 115.700 0.378 0.000 2.420 76 S HA -0.185 4.285 4.470 -0.001 0.000 0.237 76 S C 2.158 177.097 174.600 0.564 0.000 1.023 76 S CA 0.960 59.431 58.200 0.453 0.000 0.991 76 S CB -0.184 63.198 63.200 0.302 0.000 0.792 76 S HN 0.281 nan 8.310 nan 0.000 0.488 77 A N 1.760 124.798 122.820 0.363 0.000 1.929 77 A HA 0.297 4.617 4.320 -0.001 0.000 0.216 77 A C 2.401 180.079 177.584 0.156 0.000 1.176 77 A CA 1.223 53.389 52.037 0.217 0.000 0.628 77 A CB -1.678 17.363 19.000 0.068 0.000 0.816 77 A HN 0.675 nan 8.150 nan 0.000 0.444 78 G N -1.380 107.497 108.800 0.128 0.000 2.479 78 G HA2 -0.146 3.814 3.960 -0.001 0.000 0.220 78 G HA3 -0.146 3.814 3.960 -0.001 0.000 0.220 78 G C 0.931 175.666 174.900 -0.274 0.000 1.115 78 G CA 0.945 45.980 45.100 -0.108 0.000 0.757 78 G HN 0.497 nan 8.290 nan 0.000 0.560 79 F N -0.005 120.041 119.950 0.160 0.000 2.641 79 F HA 0.408 4.935 4.527 -0.001 0.000 0.302 79 F C 1.761 177.595 175.800 0.057 0.000 1.098 79 F CA 0.184 58.277 58.000 0.154 0.000 1.318 79 F CB 0.781 39.938 39.000 0.262 0.000 1.035 79 F HN 0.198 nan 8.300 nan 0.000 0.551 80 G N -0.940 107.933 108.800 0.122 0.000 2.159 80 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.227 80 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.227 80 G C -0.219 174.585 174.900 -0.160 0.000 0.986 80 G CA -0.771 44.288 45.100 -0.069 0.000 0.651 80 G HN 0.246 nan 8.290 nan 0.000 0.523 81 W N 1.469 122.856 121.300 0.145 0.000 2.304 81 W HA 0.607 5.267 4.660 -0.001 0.000 0.313 81 W C 0.658 177.232 176.519 0.092 0.000 1.323 81 W CA -0.235 57.214 57.345 0.174 0.000 1.223 81 W CB 0.576 30.199 29.460 0.272 0.000 1.237 81 W HN 0.161 nan 8.180 nan 0.000 0.535 82 E N 3.708 124.056 120.200 0.246 0.000 2.210 82 E HA 0.623 4.973 4.350 -0.001 0.000 0.266 82 E C -0.901 175.833 176.600 0.223 0.000 0.883 82 E CA -0.935 55.506 56.400 0.068 0.000 0.761 82 E CB 1.713 31.424 29.700 0.017 0.000 1.156 82 E HN 0.331 nan 8.360 nan 0.000 0.412 83 F N -1.210 118.811 119.950 0.119 0.000 2.807 83 F HA 0.320 4.846 4.527 -0.001 0.000 0.316 83 F C -1.102 174.740 175.800 0.070 0.000 1.162 83 F CA -1.465 56.594 58.000 0.098 0.000 0.910 83 F CB 0.747 39.814 39.000 0.113 0.000 1.314 83 F HN 0.145 nan 8.300 nan 0.000 0.454 84 D N 1.488 122.086 120.400 0.331 0.000 2.367 84 D HA 0.249 4.888 4.640 -0.001 0.000 0.255 84 D C 1.414 177.852 176.300 0.230 0.000 1.300 84 D CA 0.911 55.023 54.000 0.187 0.000 0.959 84 D CB 1.056 41.944 40.800 0.145 0.000 1.064 84 D HN 0.859 nan 8.370 nan 0.000 0.509 85 G N 2.809 111.639 108.800 0.051 0.000 2.574 85 G HA2 -0.355 3.605 3.960 -0.001 0.000 0.220 85 G HA3 -0.355 3.605 3.960 -0.001 0.000 0.220 85 G C 1.444 176.416 174.900 0.120 0.000 1.173 85 G CA 1.340 46.477 45.100 0.061 0.000 0.772 85 G HN 0.576 nan 8.290 nan 0.000 0.585 86 S N 0.534 116.282 115.700 0.080 0.000 2.522 86 S HA 0.005 4.475 4.470 -0.001 0.000 0.227 86 S C 2.172 176.817 174.600 0.076 0.000 0.986 86 S CA 1.289 59.529 58.200 0.067 0.000 0.929 86 S CB -0.179 63.048 63.200 0.044 0.000 0.769 86 S HN 0.635 nan 8.310 nan 0.000 0.529 87 S N 0.564 116.323 115.700 0.099 0.000 2.603 87 S HA 0.195 4.665 4.470 -0.001 0.000 0.220 87 S C 0.476 175.123 174.600 0.078 0.000 0.967 87 S CA -0.356 57.895 58.200 0.084 0.000 0.920 87 S CB -0.558 62.696 63.200 0.090 0.000 0.773 87 S HN 0.283 nan 8.310 nan 0.000 0.529 88 V N 2.764 122.737 119.914 0.100 0.000 2.508 88 V HA 0.355 4.474 4.120 -0.001 0.000 0.281 88 V C 0.194 176.315 176.094 0.046 0.000 1.041 88 V CA 0.098 62.444 62.300 0.075 0.000 1.016 88 V CB 0.983 32.879 31.823 0.121 0.000 0.984 88 V HN 0.349 nan 8.190 nan 0.000 0.478 89 K N 3.971 124.385 120.400 0.024 0.000 2.482 89 K HA 0.636 4.955 4.320 -0.001 0.000 0.251 89 K C -0.755 175.857 176.600 0.020 0.000 0.936 89 K CA -0.577 55.729 56.287 0.031 0.000 0.791 89 K CB 2.061 34.586 32.500 0.042 0.000 1.213 89 K HN 0.683 nan 8.250 nan 0.000 0.428 90 A N 4.292 127.125 122.820 0.022 0.000 2.391 90 A HA 0.186 4.505 4.320 -0.001 0.000 0.316 90 A C -0.030 177.697 177.584 0.238 0.000 1.381 90 A CA -0.449 51.596 52.037 0.014 0.000 0.998 90 A CB -0.273 18.612 19.000 -0.191 0.000 1.147 90 A HN 0.620 nan 8.150 nan 0.000 0.545 91 N N 3.433 122.290 118.700 0.262 0.000 2.555 91 N HA -0.033 4.706 4.740 -0.001 0.000 0.244 91 N C 0.875 176.622 175.510 0.395 0.000 1.114 91 N CA -0.544 52.677 53.050 0.285 0.000 0.963 91 N CB 0.098 38.680 38.487 0.158 0.000 1.276 91 N HN 0.877 nan 8.380 nan 0.000 0.510 92 W N 4.864 126.314 121.300 0.250 0.000 2.342 92 W HA -0.162 4.498 4.660 -0.001 0.000 0.297 92 W C 0.636 177.157 176.519 0.002 0.000 1.213 92 W CA 1.107 58.502 57.345 0.084 0.000 1.251 92 W CB 0.269 29.787 29.460 0.098 0.000 1.136 92 W HN 0.477 nan 8.180 nan 0.000 0.526 93 K N 0.115 120.614 120.400 0.165 0.000 2.148 93 K HA -0.163 4.156 4.320 -0.001 0.000 0.204 93 K C 2.116 178.675 176.600 -0.069 0.000 1.050 93 K CA 0.964 57.267 56.287 0.027 0.000 0.942 93 K CB -0.269 32.302 32.500 0.119 0.000 0.724 93 K HN -0.124 nan 8.250 nan 0.000 0.446 94 K N 1.228 121.614 120.400 -0.023 0.000 2.025 94 K HA -0.113 4.207 4.320 -0.001 0.000 0.207 94 K C 2.174 178.702 176.600 -0.119 0.000 1.049 94 K CA 0.901 57.163 56.287 -0.042 0.000 0.933 94 K CB -0.400 32.106 32.500 0.011 0.000 0.714 94 K HN 0.078 nan 8.250 nan 0.000 0.438 95 L N 1.492 122.604 121.223 -0.186 0.000 2.012 95 L HA -0.185 4.154 4.340 -0.001 0.000 0.210 95 L C 2.073 178.693 176.870 -0.418 0.000 1.073 95 L CA 1.562 56.214 54.840 -0.314 0.000 0.748 95 L CB -0.410 41.328 42.059 -0.535 0.000 0.891 95 L HN 0.072 nan 8.230 nan 0.000 0.431 96 I N -0.033 120.198 120.570 -0.565 0.000 2.315 96 I HA -0.204 3.966 4.170 -0.001 0.000 0.248 96 I C 2.654 178.617 176.117 -0.256 0.000 1.117 96 I CA 1.403 62.406 61.300 -0.495 0.000 1.404 96 I CB -1.847 35.813 38.000 -0.567 0.000 1.071 96 I HN 0.394 nan 8.210 nan 0.000 0.419 97 A N 0.813 123.529 122.820 -0.174 0.000 1.969 97 A HA -0.040 4.279 4.320 -0.001 0.000 0.218 97 A C 2.561 180.089 177.584 -0.094 0.000 1.169 97 A CA 1.661 53.646 52.037 -0.087 0.000 0.635 97 A CB -0.580 18.393 19.000 -0.046 0.000 0.810 97 A HN 0.399 nan 8.150 nan 0.000 0.445 98 A N -0.041 122.707 122.820 -0.121 0.000 1.898 98 A HA -0.132 4.188 4.320 -0.001 0.000 0.216 98 A C 2.163 179.664 177.584 -0.139 0.000 1.181 98 A CA 1.842 53.812 52.037 -0.111 0.000 0.620 98 A CB -0.397 18.542 19.000 -0.102 0.000 0.819 98 A HN 0.401 nan 8.150 nan 0.000 0.442 99 K N 0.059 120.346 120.400 -0.188 0.000 2.097 99 K HA -0.181 4.138 4.320 -0.001 0.000 0.206 99 K C 1.421 177.872 176.600 -0.248 0.000 1.049 99 K CA 1.716 57.872 56.287 -0.218 0.000 0.933 99 K CB -0.390 31.955 32.500 -0.258 0.000 0.717 99 K HN 0.390 nan 8.250 nan 0.000 0.442 100 N N 1.475 120.050 118.700 -0.208 0.000 2.142 100 N HA -0.161 4.578 4.740 -0.001 0.000 0.186 100 N C 1.711 177.151 175.510 -0.117 0.000 1.023 100 N CA 1.233 54.174 53.050 -0.182 0.000 0.852 100 N CB -0.185 38.333 38.487 0.051 0.000 0.998 100 N HN 0.442 nan 8.380 nan 0.000 0.424 101 E N 0.602 120.758 120.200 -0.072 0.000 2.031 101 E HA -0.111 4.238 4.350 -0.001 0.000 0.193 101 E C 1.830 178.376 176.600 -0.090 0.000 0.994 101 E CA 1.137 57.507 56.400 -0.049 0.000 0.800 101 E CB -0.099 29.574 29.700 -0.045 0.000 0.752 101 E HN 0.280 nan 8.360 nan 0.000 0.447 102 A N 0.657 123.403 122.820 -0.124 0.000 1.917 102 A HA -0.195 4.125 4.320 -0.001 0.000 0.219 102 A C 2.428 179.908 177.584 -0.174 0.000 1.182 102 A CA 1.861 53.815 52.037 -0.139 0.000 0.633 102 A CB -0.843 18.072 19.000 -0.143 0.000 0.819 102 A HN 0.259 nan 8.150 nan 0.000 0.448 103 V N -0.533 119.236 119.914 -0.241 0.000 2.323 103 V HA -0.198 3.921 4.120 -0.001 0.000 0.244 103 V C 2.450 178.443 176.094 -0.169 0.000 1.041 103 V CA 1.783 63.911 62.300 -0.286 0.000 1.025 103 V CB -0.795 30.723 31.823 -0.508 0.000 0.656 103 V HN 0.582 nan 8.190 nan 0.000 0.451 104 L N 0.555 121.739 121.223 -0.064 0.000 2.081 104 L HA -0.242 4.098 4.340 -0.001 0.000 0.212 104 L C 2.065 178.912 176.870 -0.038 0.000 1.080 104 L CA 2.134 57.020 54.840 0.077 0.000 0.754 104 L CB -0.950 41.197 42.059 0.147 0.000 0.893 104 L HN 0.326 nan 8.230 nan 0.000 0.433 105 D N -0.509 119.842 120.400 -0.082 0.000 2.144 105 D HA -0.181 4.459 4.640 -0.001 0.000 0.199 105 D C 2.287 178.481 176.300 -0.176 0.000 0.984 105 D CA 1.812 55.748 54.000 -0.106 0.000 0.834 105 D CB -0.079 40.661 40.800 -0.101 0.000 0.955 105 D HN 0.462 nan 8.370 nan 0.000 0.465 106 I N 0.815 121.231 120.570 -0.257 0.000 2.202 106 I HA -0.242 3.927 4.170 -0.001 0.000 0.242 106 I C 1.948 177.738 176.117 -0.545 0.000 1.091 106 I CA 0.814 61.818 61.300 -0.492 0.000 1.368 106 I CB -0.340 37.337 38.000 -0.537 0.000 1.058 106 I HN -0.026 nan 8.210 nan 0.000 0.410 107 N N 1.034 119.561 118.700 -0.288 0.000 2.027 107 N HA -0.275 4.464 4.740 -0.001 0.000 0.200 107 N C 1.815 177.260 175.510 -0.109 0.000 1.042 107 N CA 1.746 54.709 53.050 -0.144 0.000 0.871 107 N CB -0.171 38.299 38.487 -0.028 0.000 1.063 107 N HN 0.275 nan 8.380 nan 0.000 0.438 108 K N 0.279 120.625 120.400 -0.090 0.000 2.063 108 K HA -0.152 4.168 4.320 -0.001 0.000 0.208 108 K C 2.417 178.995 176.600 -0.036 0.000 1.048 108 K CA 1.555 57.810 56.287 -0.053 0.000 0.928 108 K CB -0.242 32.231 32.500 -0.044 0.000 0.713 108 K HN 0.189 nan 8.250 nan 0.000 0.442 109 S N -0.025 115.626 115.700 -0.082 0.000 2.402 109 S HA -0.140 4.330 4.470 -0.001 0.000 0.229 109 S C 1.875 176.543 174.600 0.113 0.000 1.021 109 S CA 0.766 58.949 58.200 -0.028 0.000 0.974 109 S CB -0.269 62.885 63.200 -0.077 0.000 0.800 109 S HN 0.237 nan 8.310 nan 0.000 0.484 110 Y N 1.861 122.139 120.300 -0.036 0.000 2.314 110 Y HA 0.218 4.767 4.550 -0.001 0.000 0.293 110 Y C 2.586 178.536 175.900 0.083 0.000 1.129 110 Y CA 0.286 58.377 58.100 -0.014 0.000 1.201 110 Y CB -0.999 37.461 38.460 0.001 0.000 0.999 110 Y HN 0.439 nan 8.280 nan 0.000 0.541 111 E N -0.334 119.977 120.200 0.184 0.000 2.038 111 E HA -0.182 4.167 4.350 -0.001 0.000 0.195 111 E C 2.496 179.188 176.600 0.153 0.000 1.000 111 E CA 1.182 57.641 56.400 0.098 0.000 0.803 111 E CB -0.486 29.201 29.700 -0.021 0.000 0.750 111 E HN 0.498 nan 8.360 nan 0.000 0.448 112 G N 0.647 109.508 108.800 0.101 0.000 2.450 112 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.220 112 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.220 112 G C 1.523 176.486 174.900 0.106 0.000 1.130 112 G CA 0.833 45.985 45.100 0.086 0.000 0.760 112 G HN 0.146 nan 8.290 nan 0.000 0.557 113 M N -0.699 118.967 119.600 0.110 0.000 2.159 113 M HA 0.108 4.587 4.480 -0.001 0.000 0.263 113 M C 2.169 178.513 176.300 0.073 0.000 1.063 113 M CA 1.075 56.422 55.300 0.079 0.000 1.110 113 M CB -0.215 32.385 32.600 -0.000 0.000 1.374 113 M HN 0.252 nan 8.290 nan 0.000 0.411 114 F N 0.671 120.673 119.950 0.087 0.000 2.084 114 F HA -0.200 4.327 4.527 -0.001 0.000 0.296 114 F C 2.263 178.096 175.800 0.055 0.000 1.111 114 F CA 1.319 59.368 58.000 0.081 0.000 1.224 114 F CB -0.837 38.204 39.000 0.068 0.000 0.991 114 F HN 0.173 nan 8.300 nan 0.000 0.471 115 N N 0.290 119.138 118.700 0.246 0.000 2.132 115 N HA -0.198 4.541 4.740 -0.001 0.000 0.191 115 N C 1.180 176.749 175.510 0.098 0.000 1.015 115 N CA 1.825 54.955 53.050 0.133 0.000 0.864 115 N CB -0.552 37.988 38.487 0.088 0.000 1.006 115 N HN 0.352 nan 8.380 nan 0.000 0.430 116 D N -0.551 119.905 120.400 0.093 0.000 2.355 116 D HA 0.038 4.678 4.640 -0.001 0.000 0.206 116 D C 0.058 176.384 176.300 0.043 0.000 1.010 116 D CA 0.449 54.486 54.000 0.061 0.000 0.875 116 D CB 0.103 40.937 40.800 0.057 0.000 0.966 116 D HN 0.092 nan 8.370 nan 0.000 0.512 117 T N 1.473 116.053 114.554 0.043 0.000 2.771 117 T HA 0.127 4.477 4.350 -0.001 0.000 0.291 117 T C 0.262 174.949 174.700 -0.021 0.000 0.954 117 T CA -0.418 61.668 62.100 -0.024 0.000 1.045 117 T CB 2.068 70.885 68.868 -0.085 0.000 0.917 117 T HN -0.061 nan 8.240 nan 0.000 0.484 118 E N 1.696 121.867 120.200 -0.047 0.000 2.376 118 E HA 0.301 4.651 4.350 -0.001 0.000 0.266 118 E C 1.156 177.737 176.600 -0.030 0.000 1.009 118 E CA 0.455 56.839 56.400 -0.025 0.000 0.902 118 E CB 0.194 29.872 29.700 -0.038 0.000 0.972 118 E HN 1.000 nan 8.360 nan 0.000 0.439 119 G N 3.642 112.460 108.800 0.030 0.000 2.198 119 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.260 119 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.260 119 G C -0.349 174.605 174.900 0.089 0.000 1.025 119 G CA 0.456 45.594 45.100 0.063 0.000 0.769 119 G HN 0.393 nan 8.290 nan 0.000 0.507 120 L N 0.764 122.053 121.223 0.111 0.000 2.427 120 L HA 0.715 5.054 4.340 -0.001 0.000 0.264 120 L C -1.329 175.754 176.870 0.355 0.000 0.989 120 L CA -1.188 53.753 54.840 0.168 0.000 0.865 120 L CB 1.575 43.635 42.059 0.003 0.000 1.209 120 L HN 0.030 nan 8.230 nan 0.000 0.430 121 D N 3.777 124.403 120.400 0.376 0.000 2.256 121 D HA 0.368 5.007 4.640 -0.001 0.000 0.246 121 D C -1.159 175.162 176.300 0.034 0.000 1.042 121 D CA 0.211 54.351 54.000 0.233 0.000 0.841 121 D CB 1.805 42.720 40.800 0.191 0.000 1.223 121 D HN 0.298 nan 8.370 nan 0.000 0.470 122 F N 2.342 121.996 119.950 -0.494 0.000 2.420 122 F HA 0.559 5.085 4.527 -0.001 0.000 0.342 122 F C -1.280 174.073 175.800 -0.745 0.000 1.113 122 F CA -0.725 56.792 58.000 -0.804 0.000 1.059 122 F CB 0.471 38.668 39.000 -1.338 0.000 1.128 122 F HN 0.141 nan 8.300 nan 0.000 0.475 123 F N 6.823 126.055 119.950 -1.197 0.000 2.493 123 F HA 0.428 4.955 4.527 -0.001 0.000 0.329 123 F C -0.796 174.346 175.800 -1.097 0.000 1.126 123 F CA -1.052 56.445 58.000 -0.839 0.000 0.937 123 F CB 1.627 40.349 39.000 -0.462 0.000 1.146 123 F HN 0.288 nan 8.300 nan 0.000 0.442 124 L N 3.707 124.647 121.223 -0.472 0.000 2.313 124 L HA 0.808 5.148 4.340 -0.001 0.000 0.282 124 L C 0.159 176.945 176.870 -0.139 0.000 1.092 124 L CA 0.629 55.315 54.840 -0.257 0.000 0.831 124 L CB 0.048 42.116 42.059 0.015 0.000 1.159 124 L HN 0.785 nan 8.230 nan 0.000 0.442 125 G N 3.176 111.852 108.800 -0.206 0.000 2.339 125 G HA2 0.002 3.961 3.960 -0.001 0.000 0.275 125 G HA3 0.002 3.961 3.960 -0.001 0.000 0.275 125 G C -2.147 172.565 174.900 -0.314 0.000 1.323 125 G CA -0.787 44.228 45.100 -0.142 0.000 0.927 125 G HN 0.442 nan 8.290 nan 0.000 0.486 126 W N 1.004 122.228 121.300 -0.126 0.000 2.361 126 W HA 0.610 5.270 4.660 -0.000 0.000 0.314 126 W C 0.571 177.019 176.519 -0.118 0.000 1.041 126 W CA 0.159 57.416 57.345 -0.146 0.000 1.241 126 W CB 2.021 31.379 29.460 -0.169 0.000 1.279 126 W HN 0.861 nan 8.180 nan 0.000 0.436 127 G N 2.014 110.843 108.800 0.048 0.000 2.348 127 G HA2 0.606 4.565 3.960 -0.001 0.000 0.312 127 G HA3 0.606 4.565 3.960 -0.001 0.000 0.312 127 G C -0.588 174.334 174.900 0.037 0.000 1.126 127 G CA -0.476 44.624 45.100 0.000 0.000 0.865 127 G HN 0.417 nan 8.290 nan 0.000 0.474 128 S N 0.558 116.268 115.700 0.016 0.000 2.651 128 S HA 0.637 5.106 4.470 -0.001 0.000 0.279 128 S C -1.289 173.308 174.600 -0.004 0.000 1.148 128 S CA -0.913 57.294 58.200 0.012 0.000 0.837 128 S CB 1.631 64.838 63.200 0.013 0.000 1.138 128 S HN 0.328 nan 8.310 nan 0.000 0.478 129 L N 2.058 123.279 121.223 -0.004 0.000 2.261 129 L HA 0.508 4.848 4.340 -0.001 0.000 0.289 129 L C 1.396 178.259 176.870 -0.012 0.000 1.059 129 L CA 0.209 55.044 54.840 -0.009 0.000 0.816 129 L CB 0.459 42.513 42.059 -0.008 0.000 1.191 129 L HN 1.063 nan 8.230 nan 0.000 0.431 130 E N 1.790 121.981 120.200 -0.015 0.000 2.102 130 E HA 0.032 4.381 4.350 -0.001 0.000 0.190 130 E C 0.237 176.828 176.600 -0.015 0.000 0.971 130 E CA 0.703 57.094 56.400 -0.015 0.000 0.821 130 E CB 0.554 30.245 29.700 -0.016 0.000 0.777 130 E HN 0.688 nan 8.360 nan 0.000 0.460 131 S N -1.668 114.023 115.700 -0.016 0.000 2.688 131 S HA 0.246 4.715 4.470 -0.001 0.000 0.275 131 S C 0.324 174.911 174.600 -0.021 0.000 1.175 131 S CA -0.736 57.453 58.200 -0.018 0.000 0.818 131 S CB 1.208 64.397 63.200 -0.017 0.000 1.157 131 S HN 0.087 nan 8.310 nan 0.000 0.482 132 K N 0.477 120.861 120.400 -0.027 0.000 2.173 132 K HA -0.131 4.188 4.320 -0.001 0.000 0.207 132 K C 0.428 177.007 176.600 -0.035 0.000 1.046 132 K CA 2.183 58.448 56.287 -0.037 0.000 0.929 132 K CB -0.436 32.038 32.500 -0.043 0.000 0.720 132 K HN 0.668 nan 8.250 nan 0.000 0.453 133 N N -0.865 117.820 118.700 -0.024 0.000 2.238 133 N HA 0.124 4.863 4.740 -0.001 0.000 0.235 133 N C -1.778 173.732 175.510 0.001 0.000 1.209 133 N CA -0.331 52.711 53.050 -0.014 0.000 0.879 133 N CB 1.885 40.359 38.487 -0.020 0.000 1.136 133 N HN -0.167 nan 8.380 nan 0.000 0.517 134 V N 1.201 121.113 119.914 -0.004 0.000 2.524 134 V HA 0.357 4.477 4.120 -0.001 0.000 0.297 134 V C -0.478 175.607 176.094 -0.014 0.000 1.035 134 V CA -0.850 61.447 62.300 -0.005 0.000 0.867 134 V CB 2.101 33.918 31.823 -0.010 0.000 1.004 134 V HN -0.215 nan 8.190 nan 0.000 0.426 135 V N 5.704 125.604 119.914 -0.024 0.000 2.439 135 V HA 0.465 4.584 4.120 -0.001 0.000 0.282 135 V C 0.049 176.107 176.094 -0.060 0.000 1.039 135 V CA -0.473 61.802 62.300 -0.042 0.000 0.913 135 V CB 1.913 33.700 31.823 -0.061 0.000 0.983 135 V HN 0.607 nan 8.190 nan 0.000 0.460 136 V N 5.670 125.557 119.914 -0.045 0.000 2.472 136 V HA 0.434 4.553 4.120 -0.001 0.000 0.290 136 V C -0.133 175.934 176.094 -0.045 0.000 1.037 136 V CA -0.489 61.784 62.300 -0.044 0.000 0.908 136 V CB 1.995 33.804 31.823 -0.023 0.000 0.985 136 V HN 0.606 nan 8.190 nan 0.000 0.454 137 V N 6.198 126.079 119.914 -0.056 0.000 2.357 137 V HA 0.535 4.654 4.120 -0.001 0.000 0.284 137 V C 0.140 176.242 176.094 0.013 0.000 1.018 137 V CA -0.638 61.639 62.300 -0.037 0.000 0.841 137 V CB 1.239 33.004 31.823 -0.097 0.000 0.991 137 V HN 0.824 nan 8.190 nan 0.000 0.437 138 R N 2.317 122.855 120.500 0.064 0.000 2.856 138 R HA 0.485 4.825 4.340 -0.001 0.000 0.258 138 R C 0.689 177.073 176.300 0.139 0.000 1.066 138 R CA -0.784 55.358 56.100 0.071 0.000 1.045 138 R CB 1.907 32.230 30.300 0.039 0.000 1.178 138 R HN 0.673 nan 8.270 nan 0.000 0.499 139 E N 0.055 120.318 120.200 0.105 0.000 2.208 139 E HA -0.085 4.264 4.350 -0.001 0.000 0.193 139 E C 0.533 177.250 176.600 0.196 0.000 0.988 139 E CA 1.207 57.696 56.400 0.148 0.000 0.828 139 E CB 0.331 30.085 29.700 0.091 0.000 0.763 139 E HN 0.611 nan 8.360 nan 0.000 0.478 140 T N -4.597 109.944 114.554 -0.022 0.000 2.681 140 T HA 0.543 4.892 4.350 -0.001 0.000 0.296 140 T C 0.699 174.879 174.700 -0.867 0.000 1.157 140 T CA -0.289 61.497 62.100 -0.523 0.000 1.025 140 T CB 1.331 69.987 68.868 -0.353 0.000 1.441 140 T HN -0.142 nan 8.240 nan 0.000 0.504 141 A N -0.013 121.972 122.820 -1.391 0.000 2.121 141 A HA 0.149 4.469 4.320 -0.001 0.000 0.218 141 A C 1.003 178.308 177.584 -0.466 0.000 1.154 141 A CA 0.973 52.382 52.037 -1.047 0.000 0.679 141 A CB -0.933 17.341 19.000 -1.210 0.000 0.795 141 A HN 0.830 nan 8.150 nan 0.000 0.458 142 D N 0.072 120.250 120.400 -0.370 0.000 2.371 142 D HA 0.143 4.783 4.640 -0.001 0.000 0.256 142 D C -1.703 174.510 176.300 -0.145 0.000 1.193 142 D CA -2.010 51.864 54.000 -0.211 0.000 0.881 142 D CB 1.151 41.851 40.800 -0.167 0.000 1.143 142 D HN 0.057 nan 8.370 nan 0.000 0.473 143 P HA -0.078 nan 4.420 nan 0.000 0.231 143 P C 0.554 177.823 177.300 -0.053 0.000 1.158 143 P CA 0.871 63.930 63.100 -0.068 0.000 0.763 143 P CB 0.315 31.983 31.700 -0.054 0.000 0.805 144 K N -0.417 119.948 120.400 -0.059 0.000 2.367 144 K HA 0.091 4.410 4.320 -0.001 0.000 0.194 144 K C 1.044 177.621 176.600 -0.039 0.000 1.027 144 K CA -0.033 56.228 56.287 -0.043 0.000 1.075 144 K CB 0.250 32.725 32.500 -0.041 0.000 0.845 144 K HN 0.196 nan 8.250 nan 0.000 0.529 145 S N 0.568 116.238 115.700 -0.050 0.000 2.617 145 S HA 0.358 4.827 4.470 -0.001 0.000 0.259 145 S C 0.396 174.988 174.600 -0.014 0.000 1.301 145 S CA -0.933 57.246 58.200 -0.036 0.000 0.984 145 S CB 0.996 64.163 63.200 -0.054 0.000 0.954 145 S HN 0.159 nan 8.310 nan 0.000 0.572 146 A N 0.538 123.359 122.820 0.002 0.000 2.425 146 A HA 0.494 4.813 4.320 -0.001 0.000 0.249 146 A C 0.006 177.601 177.584 0.019 0.000 1.084 146 A CA -0.686 51.358 52.037 0.011 0.000 0.781 146 A CB -0.197 18.815 19.000 0.020 0.000 1.019 146 A HN 0.806 nan 8.150 nan 0.000 0.490 147 V N 3.900 123.824 119.914 0.016 0.000 2.455 147 V HA 0.084 4.204 4.120 -0.001 0.000 0.273 147 V C 1.013 177.124 176.094 0.028 0.000 1.045 147 V CA 0.169 62.479 62.300 0.016 0.000 0.976 147 V CB 0.802 32.630 31.823 0.007 0.000 0.993 147 V HN 1.062 nan 8.190 nan 0.000 0.475 148 K N 2.716 123.135 120.400 0.032 0.000 2.168 148 K HA 0.219 4.539 4.320 -0.001 0.000 0.201 148 K C 0.246 176.867 176.600 0.035 0.000 1.049 148 K CA 0.552 56.867 56.287 0.046 0.000 0.974 148 K CB 0.394 32.928 32.500 0.055 0.000 0.792 148 K HN 0.617 nan 8.250 nan 0.000 0.463 149 E N 0.414 120.608 120.200 -0.010 0.000 2.390 149 E HA 0.308 4.657 4.350 -0.001 0.000 0.277 149 E C -1.118 175.433 176.600 -0.080 0.000 0.939 149 E CA -0.548 55.818 56.400 -0.055 0.000 0.769 149 E CB 2.335 31.935 29.700 -0.167 0.000 1.251 149 E HN 0.013 nan 8.360 nan 0.000 0.450 150 R N 1.151 121.609 120.500 -0.071 0.000 2.445 150 R HA 0.586 4.925 4.340 -0.001 0.000 0.308 150 R C -0.446 175.806 176.300 -0.080 0.000 0.961 150 R CA -0.626 55.434 56.100 -0.068 0.000 0.862 150 R CB 1.325 31.608 30.300 -0.030 0.000 1.144 150 R HN 0.279 nan 8.270 nan 0.000 0.447 151 L N 3.744 124.917 121.223 -0.084 0.000 2.316 151 L HA 0.361 4.700 4.340 -0.001 0.000 0.280 151 L C -0.218 176.693 176.870 0.068 0.000 1.006 151 L CA -0.723 54.108 54.840 -0.016 0.000 0.836 151 L CB 1.797 43.733 42.059 -0.206 0.000 1.221 151 L HN 0.465 nan 8.230 nan 0.000 0.418 152 Q N 2.578 122.451 119.800 0.123 0.000 2.293 152 Q HA 0.683 5.022 4.340 -0.001 0.000 0.251 152 Q C -0.341 175.751 176.000 0.154 0.000 0.930 152 Q CA -0.330 55.525 55.803 0.086 0.000 0.893 152 Q CB 2.023 30.780 28.738 0.032 0.000 1.215 152 Q HN 0.714 nan 8.270 nan 0.000 0.425 153 A N 2.178 125.061 122.820 0.104 0.000 2.437 153 A HA 0.285 4.604 4.320 -0.001 0.000 0.293 153 A C -0.641 176.984 177.584 0.068 0.000 1.038 153 A CA -0.705 51.414 52.037 0.137 0.000 0.708 153 A CB 1.180 20.264 19.000 0.140 0.000 1.251 153 A HN 0.715 nan 8.150 nan 0.000 0.409 154 D N 0.806 121.247 120.400 0.069 0.000 2.117 154 D HA -0.024 4.615 4.640 -0.001 0.000 0.197 154 D C 0.205 176.329 176.300 -0.293 0.000 0.987 154 D CA 1.811 55.747 54.000 -0.107 0.000 0.829 154 D CB 0.056 40.818 40.800 -0.064 0.000 0.961 154 D HN 0.670 nan 8.370 nan 0.000 0.460 155 H N -1.002 118.196 119.070 0.214 0.000 2.679 155 H HA 0.471 5.027 4.556 -0.001 0.000 0.360 155 H C -0.333 175.137 175.328 0.236 0.000 1.105 155 H CA -0.601 55.603 56.048 0.261 0.000 1.196 155 H CB 1.945 31.991 29.762 0.475 0.000 1.636 155 H HN -0.132 nan 8.280 nan 0.000 0.531 156 I N 3.455 124.186 120.570 0.267 0.000 2.436 156 I HA 0.108 4.277 4.170 -0.001 0.000 0.289 156 I C -0.739 175.531 176.117 0.254 0.000 1.010 156 I CA -0.866 60.547 61.300 0.188 0.000 1.098 156 I CB 2.290 40.330 38.000 0.066 0.000 1.266 156 I HN 0.157 nan 8.210 nan 0.000 0.434 157 L N 7.950 129.325 121.223 0.253 0.000 2.280 157 L HA 0.495 4.834 4.340 -0.001 0.000 0.287 157 L C -0.869 176.093 176.870 0.154 0.000 1.023 157 L CA -0.170 54.821 54.840 0.251 0.000 0.819 157 L CB 1.015 43.223 42.059 0.249 0.000 1.212 157 L HN 0.436 nan 8.230 nan 0.000 0.420 158 L N 6.383 127.688 121.223 0.138 0.000 2.283 158 L HA 0.569 4.908 4.340 -0.001 0.000 0.287 158 L C 0.517 177.452 176.870 0.107 0.000 1.073 158 L CA -0.131 54.768 54.840 0.099 0.000 0.822 158 L CB 0.844 42.953 42.059 0.084 0.000 1.186 158 L HN 0.873 nan 8.230 nan 0.000 0.436 159 A N 1.300 124.177 122.820 0.095 0.000 3.045 159 A HA 0.257 4.576 4.320 -0.001 0.000 0.244 159 A C 0.866 178.505 177.584 0.092 0.000 0.917 159 A CA -0.221 51.877 52.037 0.101 0.000 1.075 159 A CB -0.054 19.012 19.000 0.109 0.000 1.202 159 A HN 0.706 nan 8.150 nan 0.000 0.486 160 T N -3.203 111.402 114.554 0.085 0.000 3.107 160 T HA 0.446 4.796 4.350 -0.001 0.000 0.249 160 T C 1.364 176.135 174.700 0.118 0.000 1.096 160 T CA 1.069 63.216 62.100 0.078 0.000 1.012 160 T CB -0.181 68.722 68.868 0.059 0.000 0.977 160 T HN 2.002 nan 8.240 nan 0.000 0.527 161 G N 1.916 110.794 108.800 0.131 0.000 2.547 161 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.271 161 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.271 161 G C 0.076 175.091 174.900 0.191 0.000 1.209 161 G CA 0.343 45.539 45.100 0.161 0.000 0.959 161 G HN 1.542 nan 8.290 nan 0.000 0.563 162 S N -1.771 114.076 115.700 0.244 0.000 2.851 162 S HA 0.826 5.295 4.470 -0.001 0.000 0.317 162 S C -0.876 174.000 174.600 0.460 0.000 1.144 162 S CA 0.163 58.533 58.200 0.284 0.000 0.862 162 S CB 2.628 65.958 63.200 0.217 0.000 1.259 162 S HN 1.743 nan 8.310 nan 0.000 0.564 163 W N 0.504 121.865 121.300 0.103 0.000 3.363 163 W HA 0.398 5.057 4.660 -0.001 0.000 0.306 163 W C -3.440 173.125 176.519 0.078 0.000 1.253 163 W CA -2.006 55.399 57.345 0.100 0.000 1.195 163 W CB 1.710 31.235 29.460 0.107 0.000 1.366 163 W HN 0.479 nan 8.180 nan 0.000 0.551 164 P HA -0.009 nan 4.420 nan 0.000 0.268 164 P C -0.819 176.461 177.300 -0.034 0.000 1.204 164 P CA 0.560 63.520 63.100 -0.235 0.000 0.768 164 P CB 0.619 32.078 31.700 -0.403 0.000 0.842 165 Q N 2.937 122.748 119.800 0.017 0.000 2.288 165 Q HA 0.306 4.645 4.340 -0.001 0.000 0.258 165 Q C -0.813 175.204 176.000 0.029 0.000 0.957 165 Q CA -0.257 55.582 55.803 0.060 0.000 0.919 165 Q CB 0.377 29.149 28.738 0.058 0.000 1.185 165 Q HN 0.317 nan 8.270 nan 0.000 0.408 166 M N 6.167 125.795 119.600 0.047 0.000 2.149 166 M HA 0.403 4.883 4.480 -0.001 0.000 0.342 166 M C -2.198 174.117 176.300 0.026 0.000 1.068 166 M CA -2.491 52.824 55.300 0.025 0.000 0.991 166 M CB 0.828 33.448 32.600 0.034 0.000 1.596 166 M HN 0.532 nan 8.290 nan 0.000 0.439 167 P HA 0.281 nan 4.420 nan 0.000 0.274 167 P C -0.676 176.628 177.300 0.006 0.000 1.231 167 P CA -0.440 62.667 63.100 0.013 0.000 0.790 167 P CB 0.645 32.349 31.700 0.006 0.000 0.951 168 A N 3.841 126.666 122.820 0.008 0.000 3.056 168 A HA 0.409 4.729 4.320 -0.001 0.000 0.274 168 A C 0.767 178.349 177.584 -0.004 0.000 1.661 168 A CA -0.596 51.443 52.037 0.003 0.000 1.363 168 A CB -1.519 17.486 19.000 0.008 0.000 1.139 168 A HN 0.569 nan 8.150 nan 0.000 0.598 169 I N -2.058 118.505 120.570 -0.012 0.000 2.648 169 I HA 0.671 4.841 4.170 -0.001 0.000 0.304 169 I C -2.856 173.249 176.117 -0.020 0.000 1.009 169 I CA -3.157 58.132 61.300 -0.018 0.000 1.114 169 I CB 1.862 39.845 38.000 -0.028 0.000 1.293 169 I HN 0.028 nan 8.210 nan 0.000 0.449 170 P HA 0.179 nan 4.420 nan 0.000 0.265 170 P C 0.679 177.978 177.300 -0.002 0.000 1.193 170 P CA 0.777 63.871 63.100 -0.009 0.000 0.765 170 P CB 0.701 32.402 31.700 0.002 0.000 0.823 171 G N 2.962 111.751 108.800 -0.018 0.000 2.143 171 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.249 171 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.249 171 G C 0.758 175.609 174.900 -0.082 0.000 0.981 171 G CA 0.161 45.257 45.100 -0.007 0.000 0.665 171 G HN 0.579 nan 8.290 nan 0.000 0.528 172 I N 1.485 122.006 120.570 -0.082 0.000 2.657 172 I HA -0.061 4.108 4.170 -0.001 0.000 0.261 172 I C 2.353 178.409 176.117 -0.101 0.000 1.212 172 I CA 2.220 63.480 61.300 -0.066 0.000 1.453 172 I CB -0.010 37.965 38.000 -0.042 0.000 1.092 172 I HN 0.462 nan 8.210 nan 0.000 0.452 173 E N -0.731 119.340 120.200 -0.215 0.000 2.481 173 E HA -0.180 4.169 4.350 -0.001 0.000 0.195 173 E C 0.903 177.361 176.600 -0.236 0.000 1.047 173 E CA 0.837 57.103 56.400 -0.223 0.000 0.867 173 E CB -0.752 28.802 29.700 -0.243 0.000 0.858 173 E HN 0.614 nan 8.360 nan 0.000 0.513 174 H N -0.096 118.965 119.070 -0.015 0.000 2.539 174 H HA 0.231 4.786 4.556 -0.001 0.000 0.269 174 H C 0.319 175.625 175.328 -0.035 0.000 0.980 174 H CA -0.189 55.846 56.048 -0.022 0.000 1.152 174 H CB -0.005 29.741 29.762 -0.026 0.000 1.407 174 H HN 0.136 nan 8.280 nan 0.000 0.564 175 C N 1.360 120.682 119.300 0.036 0.000 2.401 175 C HA 0.646 5.105 4.460 -0.001 0.000 0.356 175 C C 1.086 176.062 174.990 -0.022 0.000 1.192 175 C CA -0.770 58.244 59.018 -0.006 0.000 2.028 175 C CB 1.313 29.037 27.740 -0.026 0.000 2.344 175 C HN 0.450 nan 8.230 nan 0.000 0.525 176 I N -0.183 120.357 120.570 -0.051 0.000 3.457 176 I HA 0.903 5.072 4.170 -0.001 0.000 0.307 176 I C -0.117 175.928 176.117 -0.119 0.000 1.138 176 I CA -0.260 60.998 61.300 -0.070 0.000 0.974 176 I CB 1.905 39.870 38.000 -0.058 0.000 1.324 176 I HN 0.686 nan 8.210 nan 0.000 0.485 177 S N -0.190 115.406 115.700 -0.173 0.000 2.810 177 S HA 0.418 4.887 4.470 -0.001 0.000 0.315 177 S C 0.846 175.259 174.600 -0.313 0.000 1.138 177 S CA 0.056 58.113 58.200 -0.238 0.000 0.889 177 S CB 0.980 64.010 63.200 -0.283 0.000 1.236 177 S HN 0.964 nan 8.310 nan 0.000 0.548 178 S N 1.438 116.921 115.700 -0.362 0.000 2.383 178 S HA -0.201 4.268 4.470 -0.001 0.000 0.229 178 S C 1.481 175.989 174.600 -0.153 0.000 1.030 178 S CA 1.442 59.360 58.200 -0.470 0.000 1.002 178 S CB -1.180 61.859 63.200 -0.269 0.000 0.829 178 S HN 0.694 nan 8.310 nan 0.000 0.467 179 N N 2.100 120.706 118.700 -0.158 0.000 2.061 179 N HA -0.121 4.618 4.740 -0.001 0.000 0.193 179 N C 1.693 177.182 175.510 -0.035 0.000 1.030 179 N CA 1.885 54.826 53.050 -0.182 0.000 0.856 179 N CB -0.538 37.386 38.487 -0.938 0.000 1.023 179 N HN 0.580 nan 8.380 nan 0.000 0.424 180 E N 0.618 120.730 120.200 -0.145 0.000 2.158 180 E HA 0.117 4.467 4.350 -0.001 0.000 0.191 180 E C 1.948 178.683 176.600 0.224 0.000 0.982 180 E CA 0.734 57.200 56.400 0.110 0.000 0.823 180 E CB -0.280 29.443 29.700 0.038 0.000 0.766 180 E HN 0.346 nan 8.360 nan 0.000 0.468 181 A N 0.369 123.208 122.820 0.030 0.000 1.917 181 A HA -0.201 4.119 4.320 -0.001 0.000 0.219 181 A C 1.714 179.408 177.584 0.183 0.000 1.182 181 A CA 1.255 53.309 52.037 0.030 0.000 0.633 181 A CB -0.931 17.788 19.000 -0.469 0.000 0.819 181 A HN 0.281 nan 8.150 nan 0.000 0.448 182 F N -2.300 117.772 119.950 0.203 0.000 2.583 182 F HA -0.098 4.428 4.527 -0.001 0.000 0.297 182 F C 1.179 176.790 175.800 -0.314 0.000 1.131 182 F CA 1.124 59.102 58.000 -0.036 0.000 1.467 182 F CB -0.299 38.598 39.000 -0.172 0.000 1.097 182 F HN 0.352 nan 8.300 nan 0.000 0.586 183 Y N -1.506 119.045 120.300 0.418 0.000 2.672 183 Y HA 0.308 4.857 4.550 -0.001 0.000 0.252 183 Y C 0.471 176.572 175.900 0.335 0.000 1.132 183 Y CA -0.950 57.355 58.100 0.342 0.000 1.228 183 Y CB -0.139 38.522 38.460 0.335 0.000 1.310 183 Y HN -0.284 nan 8.280 nan 0.000 0.549 184 L N 4.395 125.911 121.223 0.487 0.000 2.640 184 L HA -0.056 4.283 4.340 -0.001 0.000 0.280 184 L C -1.162 175.999 176.870 0.484 0.000 1.229 184 L CA -0.691 54.395 54.840 0.410 0.000 0.919 184 L CB 0.504 42.750 42.059 0.312 0.000 1.168 184 L HN 0.023 nan 8.230 nan 0.000 0.496 185 P HA -0.028 nan 4.420 nan 0.000 0.229 185 P C -0.010 177.475 177.300 0.309 0.000 1.160 185 P CA 0.979 64.252 63.100 0.288 0.000 0.777 185 P CB 0.525 32.333 31.700 0.181 0.000 0.814 186 E N -0.249 120.068 120.200 0.195 0.000 2.366 186 E HA 0.317 4.667 4.350 -0.001 0.000 0.278 186 E C -2.819 173.533 176.600 -0.413 0.000 0.923 186 E CA -2.564 53.855 56.400 0.031 0.000 0.761 186 E CB 2.574 32.283 29.700 0.015 0.000 1.231 186 E HN -0.055 nan 8.360 nan 0.000 0.443 187 P HA 0.128 nan 4.420 nan 0.000 0.271 187 P C -2.582 174.451 177.300 -0.445 0.000 1.220 187 P CA -1.226 61.322 63.100 -0.919 0.000 0.768 187 P CB 0.010 31.372 31.700 -0.564 0.000 0.848 188 P HA 0.190 nan 4.420 nan 0.000 0.276 188 P C 0.925 178.080 177.300 -0.241 0.000 1.230 188 P CA -0.201 62.691 63.100 -0.346 0.000 0.776 188 P CB 1.185 32.590 31.700 -0.492 0.000 0.888 189 R N 3.010 123.412 120.500 -0.162 0.000 2.066 189 R HA -0.046 4.293 4.340 -0.001 0.000 0.232 189 R C 0.369 176.606 176.300 -0.105 0.000 1.131 189 R CA 1.170 57.207 56.100 -0.105 0.000 0.955 189 R CB 0.218 30.475 30.300 -0.073 0.000 0.851 189 R HN 0.491 nan 8.270 nan 0.000 0.432 190 R N -0.263 120.161 120.500 -0.126 0.000 2.561 190 R HA 0.443 4.783 4.340 -0.001 0.000 0.297 190 R C -1.638 174.557 176.300 -0.174 0.000 0.969 190 R CA -0.549 55.482 56.100 -0.115 0.000 0.879 190 R CB 2.831 33.086 30.300 -0.075 0.000 1.178 190 R HN 0.001 nan 8.270 nan 0.000 0.445 191 V N 4.151 123.958 119.914 -0.179 0.000 2.932 191 V HA 0.513 4.632 4.120 -0.001 0.000 0.307 191 V C -1.860 174.157 176.094 -0.128 0.000 1.147 191 V CA -0.954 61.198 62.300 -0.245 0.000 0.951 191 V CB 2.187 33.692 31.823 -0.530 0.000 1.031 191 V HN 0.612 nan 8.190 nan 0.000 0.426 192 L N 6.095 127.260 121.223 -0.098 0.000 2.296 192 L HA 0.828 5.168 4.340 -0.001 0.000 0.286 192 L C 0.214 177.076 176.870 -0.014 0.000 1.023 192 L CA 0.431 55.261 54.840 -0.018 0.000 0.812 192 L CB 1.811 43.877 42.059 0.011 0.000 1.223 192 L HN 0.942 nan 8.230 nan 0.000 0.421 193 T N 2.319 116.898 114.554 0.042 0.000 2.794 193 T HA 0.683 5.032 4.350 -0.001 0.000 0.280 193 T C -0.451 174.289 174.700 0.065 0.000 0.987 193 T CA -0.728 61.406 62.100 0.056 0.000 0.993 193 T CB 1.240 70.177 68.868 0.115 0.000 0.939 193 T HN 0.318 nan 8.240 nan 0.000 0.449 194 V N 2.927 122.871 119.914 0.049 0.000 2.334 194 V HA 0.857 4.977 4.120 -0.001 0.000 0.281 194 V C 0.721 176.864 176.094 0.082 0.000 1.016 194 V CA 0.021 62.368 62.300 0.079 0.000 0.832 194 V CB 0.336 32.188 31.823 0.048 0.000 0.999 194 V HN 1.518 nan 8.190 nan 0.000 0.439 195 G N 3.232 112.119 108.800 0.145 0.000 2.316 195 G HA2 0.357 4.316 3.960 -0.001 0.000 0.468 195 G HA3 0.357 4.316 3.960 -0.001 0.000 0.468 195 G C 0.174 175.117 174.900 0.071 0.000 1.523 195 G CA -0.277 44.920 45.100 0.163 0.000 0.972 195 G HN 0.964 nan 8.290 nan 0.000 0.667 196 G N -0.559 108.160 108.800 -0.134 0.000 3.189 196 G HA2 0.582 4.542 3.960 -0.001 0.000 0.225 196 G HA3 0.582 4.542 3.960 -0.001 0.000 0.225 196 G C 0.879 175.579 174.900 -0.334 0.000 1.159 196 G CA 1.186 45.917 45.100 -0.615 0.000 0.763 196 G HN 1.285 nan 8.290 nan 0.000 0.549 197 G N -0.086 108.636 108.800 -0.130 0.000 2.557 197 G HA2 0.409 4.368 3.960 -0.001 0.000 0.302 197 G HA3 0.409 4.368 3.960 -0.001 0.000 0.302 197 G C 0.808 175.729 174.900 0.035 0.000 1.311 197 G CA -0.390 44.722 45.100 0.019 0.000 1.030 197 G HN 0.210 nan 8.290 nan 0.000 0.509 198 F N -0.920 119.052 119.950 0.037 0.000 2.216 198 F HA -0.007 4.520 4.527 -0.001 0.000 0.300 198 F C 2.048 177.880 175.800 0.052 0.000 1.085 198 F CA 1.055 59.060 58.000 0.008 0.000 1.326 198 F CB -0.525 38.506 39.000 0.052 0.000 1.027 198 F HN 0.178 nan 8.300 nan 0.000 0.497 199 I N -0.009 120.127 120.570 -0.723 0.000 2.252 199 I HA -0.231 3.938 4.170 -0.001 0.000 0.245 199 I C 2.827 178.925 176.117 -0.033 0.000 1.102 199 I CA 1.400 62.453 61.300 -0.412 0.000 1.385 199 I CB -0.694 37.002 38.000 -0.505 0.000 1.064 199 I HN 0.355 nan 8.210 nan 0.000 0.414 200 S N 0.372 116.035 115.700 -0.061 0.000 2.355 200 S HA -0.134 4.336 4.470 -0.001 0.000 0.222 200 S C 2.137 176.771 174.600 0.057 0.000 1.031 200 S CA 1.344 59.556 58.200 0.020 0.000 0.993 200 S CB -0.205 62.992 63.200 -0.004 0.000 0.859 200 S HN 0.206 nan 8.310 nan 0.000 0.453 201 V N 1.772 121.691 119.914 0.008 0.000 2.287 201 V HA -0.172 3.947 4.120 -0.001 0.000 0.248 201 V C 2.405 178.506 176.094 0.011 0.000 1.053 201 V CA 2.204 64.504 62.300 0.000 0.000 1.027 201 V CB -0.792 31.006 31.823 -0.041 0.000 0.646 201 V HN 0.532 nan 8.190 nan 0.000 0.447 202 E N -0.703 119.508 120.200 0.017 0.000 2.072 202 E HA -0.189 4.160 4.350 -0.001 0.000 0.191 202 E C 2.060 178.567 176.600 -0.155 0.000 0.985 202 E CA 1.424 57.798 56.400 -0.043 0.000 0.801 202 E CB -0.215 29.472 29.700 -0.021 0.000 0.750 202 E HN 0.588 nan 8.360 nan 0.000 0.452 203 F N 0.808 120.662 119.950 -0.160 0.000 2.234 203 F HA -0.104 4.423 4.527 -0.001 0.000 0.299 203 F C 2.329 178.009 175.800 -0.201 0.000 1.087 203 F CA 0.873 58.680 58.000 -0.323 0.000 1.340 203 F CB -0.290 38.511 39.000 -0.331 0.000 1.031 203 F HN 0.008 nan 8.300 nan 0.000 0.500 204 A N 0.243 123.163 122.820 0.166 0.000 1.908 204 A HA -0.157 4.163 4.320 -0.001 0.000 0.218 204 A C 2.567 180.215 177.584 0.107 0.000 1.181 204 A CA 1.968 54.115 52.037 0.183 0.000 0.627 204 A CB -1.609 17.459 19.000 0.113 0.000 0.818 204 A HN 0.407 nan 8.150 nan 0.000 0.445 205 G N -0.258 108.556 108.800 0.023 0.000 2.418 205 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.217 205 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.217 205 G C 1.542 176.450 174.900 0.013 0.000 1.158 205 G CA 1.079 46.184 45.100 0.008 0.000 0.771 205 G HN 0.477 nan 8.290 nan 0.000 0.545 206 I N -0.076 120.438 120.570 -0.093 0.000 2.142 206 I HA -0.126 4.044 4.170 -0.001 0.000 0.240 206 I C 2.468 178.660 176.117 0.125 0.000 1.078 206 I CA 0.949 62.200 61.300 -0.082 0.000 1.343 206 I CB -0.272 37.473 38.000 -0.426 0.000 1.046 206 I HN 0.050 nan 8.210 nan 0.000 0.405 207 F N 0.963 121.006 119.950 0.155 0.000 2.161 207 F HA -0.245 4.282 4.527 -0.001 0.000 0.300 207 F C 2.346 178.192 175.800 0.076 0.000 1.089 207 F CA 1.579 59.628 58.000 0.082 0.000 1.282 207 F CB -1.399 37.612 39.000 0.019 0.000 1.010 207 F HN 0.167 nan 8.300 nan 0.000 0.485 208 N N 0.349 119.194 118.700 0.242 0.000 2.149 208 N HA -0.163 4.576 4.740 -0.001 0.000 0.188 208 N C 1.695 177.273 175.510 0.112 0.000 1.019 208 N CA 1.461 54.594 53.050 0.138 0.000 0.857 208 N CB -0.247 38.291 38.487 0.086 0.000 0.997 208 N HN 0.200 nan 8.380 nan 0.000 0.426 209 A N -1.729 121.174 122.820 0.137 0.000 2.030 209 A HA 0.091 4.410 4.320 -0.001 0.000 0.215 209 A C 1.163 178.727 177.584 -0.033 0.000 1.164 209 A CA 0.495 52.554 52.037 0.037 0.000 0.697 209 A CB -0.394 18.607 19.000 0.001 0.000 0.827 209 A HN 0.445 nan 8.150 nan 0.000 0.457 210 Y N 0.847 121.241 120.300 0.157 0.000 2.458 210 Y HA 0.133 4.683 4.550 -0.001 0.000 0.256 210 Y C 0.925 176.881 175.900 0.093 0.000 1.159 210 Y CA -0.181 58.034 58.100 0.192 0.000 1.261 210 Y CB 0.252 38.956 38.460 0.406 0.000 1.119 210 Y HN 0.283 nan 8.280 nan 0.000 0.524 211 K N 2.070 122.566 120.400 0.160 0.000 2.485 211 K HA 0.106 4.425 4.320 -0.001 0.000 0.277 211 K C -2.654 173.972 176.600 0.044 0.000 0.990 211 K CA -1.410 54.913 56.287 0.060 0.000 0.994 211 K CB 0.046 32.568 32.500 0.036 0.000 0.906 211 K HN -0.057 nan 8.250 nan 0.000 0.488 212 P HA 0.038 nan 4.420 nan 0.000 0.274 212 P C -1.914 175.395 177.300 0.014 0.000 1.260 212 P CA -1.412 61.700 63.100 0.020 0.000 0.793 212 P CB -0.218 31.484 31.700 0.002 0.000 1.048 213 P HA -0.138 nan 4.420 nan 0.000 0.219 213 P C 1.511 178.814 177.300 0.005 0.000 1.146 213 P CA 1.745 64.853 63.100 0.014 0.000 0.808 213 P CB -0.665 31.045 31.700 0.017 0.000 0.779 214 G N -0.075 108.725 108.800 -0.001 0.000 2.559 214 G HA2 0.011 3.971 3.960 -0.001 0.000 0.216 214 G HA3 0.011 3.971 3.960 -0.001 0.000 0.216 214 G C 0.942 175.836 174.900 -0.011 0.000 1.126 214 G CA 0.359 45.455 45.100 -0.007 0.000 0.778 214 G HN 0.474 nan 8.290 nan 0.000 0.543 215 G N -0.597 108.197 108.800 -0.010 0.000 2.569 215 G HA2 0.464 4.424 3.960 -0.001 0.000 0.249 215 G HA3 0.464 4.424 3.960 -0.001 0.000 0.249 215 G C -0.603 174.288 174.900 -0.015 0.000 1.216 215 G CA -0.293 44.796 45.100 -0.018 0.000 0.845 215 G HN 0.264 nan 8.290 nan 0.000 0.568 216 K N -0.150 120.236 120.400 -0.023 0.000 2.535 216 K HA 0.490 4.809 4.320 -0.001 0.000 0.251 216 K C -1.276 175.313 176.600 -0.018 0.000 0.942 216 K CA -0.566 55.711 56.287 -0.017 0.000 0.798 216 K CB 2.070 34.559 32.500 -0.019 0.000 1.267 216 K HN 0.311 nan 8.250 nan 0.000 0.434 217 V N 3.480 123.396 119.914 0.004 0.000 2.435 217 V HA 0.603 4.722 4.120 -0.001 0.000 0.290 217 V C -0.595 175.510 176.094 0.018 0.000 1.030 217 V CA -0.482 61.831 62.300 0.021 0.000 0.881 217 V CB 1.894 33.765 31.823 0.079 0.000 0.983 217 V HN 0.882 nan 8.190 nan 0.000 0.445 218 T N 6.157 120.723 114.554 0.019 0.000 2.841 218 T HA 0.598 4.947 4.350 -0.001 0.000 0.283 218 T C -0.733 173.997 174.700 0.049 0.000 1.000 218 T CA -0.350 61.765 62.100 0.026 0.000 0.977 218 T CB 1.600 70.483 68.868 0.025 0.000 0.979 218 T HN 0.556 nan 8.240 nan 0.000 0.446 219 L N 3.758 125.010 121.223 0.047 0.000 2.341 219 L HA 0.800 5.140 4.340 -0.001 0.000 0.278 219 L C -0.453 176.462 176.870 0.076 0.000 1.005 219 L CA -0.721 54.159 54.840 0.066 0.000 0.818 219 L CB 0.580 42.672 42.059 0.054 0.000 1.259 219 L HN 0.990 nan 8.230 nan 0.000 0.418 220 C N 2.713 122.084 119.300 0.119 0.000 2.493 220 C HA 0.742 5.201 4.460 -0.001 0.000 0.326 220 C C -0.850 174.275 174.990 0.226 0.000 1.200 220 C CA -0.905 58.198 59.018 0.141 0.000 1.739 220 C CB 0.986 28.849 27.740 0.205 0.000 2.300 220 C HN 0.830 nan 8.230 nan 0.000 0.500 221 Y N 2.829 123.147 120.300 0.030 0.000 2.470 221 Y HA 0.497 5.046 4.550 -0.001 0.000 0.341 221 Y C 1.268 177.186 175.900 0.030 0.000 1.021 221 Y CA -1.146 56.974 58.100 0.033 0.000 1.025 221 Y CB 1.357 39.831 38.460 0.024 0.000 1.266 221 Y HN 0.931 nan 8.280 nan 0.000 0.448 222 R N 2.403 122.540 120.500 -0.605 0.000 2.148 222 R HA -0.024 4.316 4.340 -0.001 0.000 0.227 222 R C -0.803 175.158 176.300 -0.565 0.000 1.103 222 R CA 1.248 57.068 56.100 -0.466 0.000 0.983 222 R CB -0.290 29.831 30.300 -0.298 0.000 0.874 222 R HN 0.684 nan 8.270 nan 0.000 0.451 223 N N -0.131 117.927 118.700 -1.071 0.000 2.725 223 N HA 0.057 4.796 4.740 -0.001 0.000 0.312 223 N C -0.008 175.426 175.510 -0.125 0.000 1.295 223 N CA -0.620 52.145 53.050 -0.476 0.000 0.914 223 N CB 0.688 38.991 38.487 -0.306 0.000 1.177 223 N HN -0.054 nan 8.380 nan 0.000 0.601 224 N N -0.355 118.361 118.700 0.026 0.000 2.331 224 N HA 0.031 4.771 4.740 -0.001 0.000 0.180 224 N C -0.914 174.675 175.510 0.132 0.000 1.019 224 N CA 0.842 53.929 53.050 0.061 0.000 0.881 224 N CB 0.137 38.646 38.487 0.037 0.000 0.972 224 N HN 0.344 nan 8.380 nan 0.000 0.435 225 L N 0.649 122.011 121.223 0.232 0.000 2.493 225 L HA 0.425 4.764 4.340 -0.001 0.000 0.265 225 L C -0.547 176.416 176.870 0.155 0.000 0.954 225 L CA -1.001 53.942 54.840 0.172 0.000 0.844 225 L CB 1.210 43.326 42.059 0.096 0.000 1.302 225 L HN 0.160 nan 8.230 nan 0.000 0.405 226 I N 2.367 122.941 120.570 0.007 0.000 3.246 226 I HA 0.241 4.410 4.170 -0.001 0.000 0.280 226 I C 0.382 176.395 176.117 -0.174 0.000 1.239 226 I CA -0.443 60.708 61.300 -0.249 0.000 1.336 226 I CB 0.223 38.108 38.000 -0.192 0.000 1.383 226 I HN 0.810 nan 8.210 nan 0.000 0.617 227 L N 0.737 121.829 121.223 -0.217 0.000 3.634 227 L HA -0.193 4.146 4.340 -0.001 0.000 0.423 227 L C 0.746 177.729 176.870 0.188 0.000 1.253 227 L CA 0.342 55.190 54.840 0.014 0.000 0.885 227 L CB -1.612 40.379 42.059 -0.114 0.000 1.789 227 L HN 0.741 nan 8.230 nan 0.000 0.904 228 R N 0.633 121.177 120.500 0.074 0.000 2.489 228 R HA 0.044 4.384 4.340 -0.001 0.000 0.287 228 R C 1.480 177.852 176.300 0.119 0.000 0.902 228 R CA 1.594 57.759 56.100 0.109 0.000 1.136 228 R CB -0.045 30.327 30.300 0.120 0.000 0.872 228 R HN 0.594 nan 8.270 nan 0.000 0.421 229 G N 2.691 111.511 108.800 0.034 0.000 2.213 229 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.236 229 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.236 229 G C -0.061 174.664 174.900 -0.291 0.000 0.991 229 G CA -0.159 44.864 45.100 -0.129 0.000 0.629 229 G HN 0.502 nan 8.290 nan 0.000 0.517 230 F N 1.002 120.917 119.950 -0.058 0.000 2.410 230 F HA 0.568 5.094 4.527 -0.001 0.000 0.324 230 F C 0.880 176.587 175.800 -0.156 0.000 1.093 230 F CA -0.243 57.697 58.000 -0.099 0.000 1.028 230 F CB 0.555 39.510 39.000 -0.076 0.000 1.309 230 F HN 0.052 nan 8.300 nan 0.000 0.499 231 D N 0.842 121.215 120.400 -0.045 0.000 2.533 231 D HA -0.083 4.557 4.640 -0.001 0.000 0.236 231 D C 1.058 177.345 176.300 -0.022 0.000 1.137 231 D CA 0.524 54.428 54.000 -0.160 0.000 0.867 231 D CB 0.629 41.310 40.800 -0.197 0.000 1.170 231 D HN 0.637 nan 8.370 nan 0.000 0.474 232 E N 1.764 121.958 120.200 -0.010 0.000 2.106 232 E HA -0.189 4.160 4.350 -0.001 0.000 0.192 232 E C 1.282 177.894 176.600 0.020 0.000 0.984 232 E CA 1.170 57.582 56.400 0.021 0.000 0.806 232 E CB 0.201 29.922 29.700 0.034 0.000 0.750 232 E HN 0.620 nan 8.360 nan 0.000 0.458 233 T N 1.101 115.672 114.554 0.029 0.000 2.788 233 T HA -0.101 4.249 4.350 -0.001 0.000 0.268 233 T C 1.850 176.549 174.700 -0.002 0.000 1.044 233 T CA 1.076 63.192 62.100 0.027 0.000 1.139 233 T CB -0.078 68.822 68.868 0.053 0.000 0.867 233 T HN 0.198 nan 8.240 nan 0.000 0.454 234 I N 0.458 121.021 120.570 -0.011 0.000 2.286 234 I HA -0.099 4.070 4.170 -0.001 0.000 0.245 234 I C 2.776 178.859 176.117 -0.056 0.000 1.104 234 I CA 1.019 62.292 61.300 -0.045 0.000 1.397 234 I CB -0.296 37.679 38.000 -0.043 0.000 1.072 234 I HN 0.115 nan 8.210 nan 0.000 0.417 235 R N 0.851 121.335 120.500 -0.028 0.000 2.096 235 R HA -0.232 4.107 4.340 -0.001 0.000 0.240 235 R C 2.198 178.478 176.300 -0.033 0.000 1.139 235 R CA 1.888 57.969 56.100 -0.032 0.000 0.952 235 R CB -0.346 29.960 30.300 0.010 0.000 0.854 235 R HN 0.424 nan 8.270 nan 0.000 0.436 236 E N -0.042 120.148 120.200 -0.017 0.000 2.051 236 E HA -0.178 4.172 4.350 -0.001 0.000 0.192 236 E C 2.065 178.650 176.600 -0.025 0.000 0.991 236 E CA 0.887 57.279 56.400 -0.014 0.000 0.799 236 E CB 0.077 29.776 29.700 -0.003 0.000 0.748 236 E HN 0.233 nan 8.360 nan 0.000 0.449 237 E N 0.375 120.555 120.200 -0.034 0.000 2.106 237 E HA -0.118 4.231 4.350 -0.001 0.000 0.192 237 E C 2.198 178.768 176.600 -0.051 0.000 0.984 237 E CA 0.405 56.780 56.400 -0.040 0.000 0.806 237 E CB -0.199 29.467 29.700 -0.056 0.000 0.750 237 E HN 0.090 nan 8.360 nan 0.000 0.458 238 V N 1.055 120.925 119.914 -0.072 0.000 2.358 238 V HA -0.243 3.876 4.120 -0.001 0.000 0.246 238 V C 2.128 178.185 176.094 -0.061 0.000 1.047 238 V CA 2.137 64.388 62.300 -0.082 0.000 1.035 238 V CB -0.505 31.243 31.823 -0.125 0.000 0.658 238 V HN 0.315 nan 8.190 nan 0.000 0.452 239 T N 0.073 114.595 114.554 -0.053 0.000 2.597 239 T HA -0.308 4.041 4.350 -0.001 0.000 0.267 239 T C 1.827 176.503 174.700 -0.040 0.000 1.053 239 T CA 2.238 64.313 62.100 -0.041 0.000 1.165 239 T CB -0.313 68.539 68.868 -0.027 0.000 0.863 239 T HN 0.498 nan 8.240 nan 0.000 0.427 240 K N 0.920 121.300 120.400 -0.033 0.000 2.063 240 K HA -0.141 4.178 4.320 -0.001 0.000 0.208 240 K C 2.637 179.208 176.600 -0.047 0.000 1.048 240 K CA 1.468 57.735 56.287 -0.034 0.000 0.928 240 K CB -0.174 32.318 32.500 -0.013 0.000 0.713 240 K HN 0.475 nan 8.250 nan 0.000 0.442 241 Q N 0.423 120.215 119.800 -0.014 0.000 2.172 241 Q HA -0.033 4.306 4.340 -0.001 0.000 0.200 241 Q C 2.148 178.121 176.000 -0.046 0.000 0.964 241 Q CA 0.807 56.632 55.803 0.035 0.000 0.855 241 Q CB -0.010 28.799 28.738 0.118 0.000 0.918 241 Q HN 0.300 nan 8.270 nan 0.000 0.444 242 L N -0.041 121.152 121.223 -0.051 0.000 2.027 242 L HA -0.145 4.194 4.340 -0.001 0.000 0.206 242 L C 2.403 179.218 176.870 -0.092 0.000 1.074 242 L CA 1.213 56.018 54.840 -0.058 0.000 0.745 242 L CB -0.746 41.288 42.059 -0.042 0.000 0.898 242 L HN 0.179 nan 8.230 nan 0.000 0.433 243 T N 0.259 114.756 114.554 -0.094 0.000 2.665 243 T HA -0.240 4.109 4.350 -0.001 0.000 0.268 243 T C 1.952 176.545 174.700 -0.179 0.000 1.035 243 T CA 1.531 63.567 62.100 -0.107 0.000 1.151 243 T CB -0.325 68.492 68.868 -0.085 0.000 0.862 243 T HN 0.456 nan 8.240 nan 0.000 0.438 244 A N 1.388 124.037 122.820 -0.286 0.000 2.125 244 A HA -0.050 4.269 4.320 -0.001 0.000 0.219 244 A C 1.999 179.258 177.584 -0.541 0.000 1.156 244 A CA 1.319 53.049 52.037 -0.511 0.000 0.671 244 A CB -0.455 17.980 19.000 -0.941 0.000 0.794 244 A HN 0.416 nan 8.150 nan 0.000 0.459 245 N N -1.117 117.368 118.700 -0.359 0.000 2.235 245 N HA 0.238 4.978 4.740 -0.001 0.000 0.209 245 N C 0.819 176.265 175.510 -0.107 0.000 1.122 245 N CA 0.867 53.793 53.050 -0.206 0.000 0.845 245 N CB 0.193 38.624 38.487 -0.092 0.000 1.004 245 N HN 0.502 nan 8.380 nan 0.000 0.499 246 G N 0.270 109.003 108.800 -0.113 0.000 2.141 246 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.231 246 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.231 246 G C -0.085 174.790 174.900 -0.041 0.000 0.984 246 G CA -0.021 45.039 45.100 -0.067 0.000 0.660 246 G HN 0.293 nan 8.290 nan 0.000 0.525 247 I N 0.976 121.521 120.570 -0.042 0.000 2.395 247 I HA 0.411 4.580 4.170 -0.001 0.000 0.289 247 I C 0.576 176.677 176.117 -0.026 0.000 1.023 247 I CA -0.588 60.701 61.300 -0.018 0.000 1.350 247 I CB 1.428 39.425 38.000 -0.005 0.000 1.409 247 I HN 0.270 nan 8.210 nan 0.000 0.507 248 E N 6.790 126.979 120.200 -0.018 0.000 2.130 248 E HA 0.348 4.697 4.350 -0.001 0.000 0.284 248 E C -1.152 175.438 176.600 -0.017 0.000 1.018 248 E CA -0.487 55.898 56.400 -0.026 0.000 0.817 248 E CB 0.734 30.416 29.700 -0.030 0.000 1.078 248 E HN 0.346 nan 8.360 nan 0.000 0.396 249 I N 5.557 126.114 120.570 -0.021 0.000 2.297 249 I HA 0.179 4.348 4.170 -0.001 0.000 0.291 249 I C -0.125 175.979 176.117 -0.021 0.000 1.033 249 I CA 0.097 61.391 61.300 -0.009 0.000 1.253 249 I CB 0.935 38.931 38.000 -0.006 0.000 1.396 249 I HN 0.671 nan 8.210 nan 0.000 0.476 250 M N 6.736 126.321 119.600 -0.025 0.000 2.080 250 M HA 0.277 4.756 4.480 -0.001 0.000 0.350 250 M C -0.141 176.142 176.300 -0.029 0.000 1.143 250 M CA -0.473 54.781 55.300 -0.077 0.000 1.064 250 M CB 0.558 33.058 32.600 -0.166 0.000 1.429 250 M HN 0.596 nan 8.290 nan 0.000 0.418 251 T N -0.842 113.702 114.554 -0.017 0.000 2.934 251 T HA 0.384 4.734 4.350 -0.001 0.000 0.283 251 T C 0.724 175.395 174.700 -0.047 0.000 1.005 251 T CA -0.799 61.313 62.100 0.020 0.000 1.041 251 T CB 1.002 69.903 68.868 0.055 0.000 1.042 251 T HN 0.740 nan 8.240 nan 0.000 0.505 252 N N 0.563 119.218 118.700 -0.076 0.000 2.725 252 N HA -0.141 4.599 4.740 -0.001 0.000 0.249 252 N C -0.710 174.744 175.510 -0.093 0.000 1.103 252 N CA 0.914 53.905 53.050 -0.099 0.000 0.707 252 N CB -0.687 37.758 38.487 -0.069 0.000 1.043 252 N HN 0.748 nan 8.380 nan 0.000 0.553 253 E N 0.504 120.650 120.200 -0.090 0.000 2.288 253 E HA 0.529 4.879 4.350 -0.001 0.000 0.268 253 E C -0.597 176.063 176.600 0.100 0.000 0.885 253 E CA -0.600 55.765 56.400 -0.059 0.000 0.767 253 E CB 2.187 31.706 29.700 -0.302 0.000 1.220 253 E HN 0.169 nan 8.360 nan 0.000 0.427 254 N N 1.574 120.437 118.700 0.272 0.000 2.425 254 N HA 0.341 5.080 4.740 -0.001 0.000 0.289 254 N C -3.019 172.608 175.510 0.194 0.000 1.074 254 N CA -1.660 51.521 53.050 0.218 0.000 0.905 254 N CB 2.030 40.558 38.487 0.068 0.000 1.586 254 N HN -0.001 nan 8.380 nan 0.000 0.490 255 P HA 0.158 nan 4.420 nan 0.000 0.267 255 P C -0.489 176.729 177.300 -0.137 0.000 1.205 255 P CA 0.030 62.964 63.100 -0.277 0.000 0.765 255 P CB 1.066 32.603 31.700 -0.271 0.000 0.828 256 A N 4.492 127.223 122.820 -0.148 0.000 1.973 256 A HA 0.141 4.461 4.320 -0.001 0.000 0.210 256 A C 0.529 178.072 177.584 -0.069 0.000 1.200 256 A CA 1.162 53.158 52.037 -0.068 0.000 0.707 256 A CB -0.197 18.783 19.000 -0.033 0.000 0.862 256 A HN 0.598 nan 8.150 nan 0.000 0.461 257 K N -2.416 117.922 120.400 -0.103 0.000 2.578 257 K HA 0.686 5.005 4.320 -0.001 0.000 0.287 257 K C -1.746 174.803 176.600 -0.086 0.000 1.010 257 K CA -0.808 55.442 56.287 -0.063 0.000 0.889 257 K CB 1.715 34.203 32.500 -0.021 0.000 1.514 257 K HN -0.075 nan 8.250 nan 0.000 0.424 258 V N 1.061 120.966 119.914 -0.016 0.000 2.760 258 V HA 0.619 4.739 4.120 -0.001 0.000 0.309 258 V C -0.818 175.336 176.094 0.101 0.000 1.077 258 V CA -0.432 61.874 62.300 0.010 0.000 0.910 258 V CB 1.771 33.616 31.823 0.037 0.000 1.008 258 V HN 1.047 nan 8.190 nan 0.000 0.424 259 S N 4.099 119.828 115.700 0.048 0.000 2.740 259 S HA 0.823 5.292 4.470 -0.001 0.000 0.300 259 S C -1.086 173.405 174.600 -0.182 0.000 1.147 259 S CA -0.970 57.218 58.200 -0.021 0.000 0.871 259 S CB 1.750 64.962 63.200 0.020 0.000 1.173 259 S HN 0.479 nan 8.310 nan 0.000 0.510 260 L N 1.997 123.059 121.223 -0.269 0.000 2.295 260 L HA 0.476 4.815 4.340 -0.001 0.000 0.285 260 L C -0.013 176.780 176.870 -0.129 0.000 1.035 260 L CA -0.976 53.713 54.840 -0.252 0.000 0.806 260 L CB 0.979 42.856 42.059 -0.303 0.000 1.214 260 L HN 0.641 nan 8.230 nan 0.000 0.426 261 N N 0.558 119.202 118.700 -0.094 0.000 2.326 261 N HA 0.016 4.755 4.740 -0.001 0.000 0.239 261 N C 1.255 176.720 175.510 -0.075 0.000 1.301 261 N CA 0.249 53.248 53.050 -0.085 0.000 0.909 261 N CB 0.808 39.260 38.487 -0.058 0.000 1.156 261 N HN 0.664 nan 8.380 nan 0.000 0.462 262 T N -2.637 111.878 114.554 -0.065 0.000 2.962 262 T HA -0.167 4.183 4.350 -0.001 0.000 0.270 262 T C 0.821 175.496 174.700 -0.041 0.000 1.088 262 T CA 1.142 63.212 62.100 -0.050 0.000 1.127 262 T CB -0.193 68.649 68.868 -0.043 0.000 0.883 262 T HN 0.601 nan 8.240 nan 0.000 0.493 263 D N 0.895 121.271 120.400 -0.041 0.000 2.328 263 D HA 0.236 4.876 4.640 -0.001 0.000 0.226 263 D C 1.648 177.926 176.300 -0.038 0.000 1.066 263 D CA 0.485 54.465 54.000 -0.033 0.000 0.861 263 D CB -0.729 40.054 40.800 -0.028 0.000 0.912 263 D HN 0.578 nan 8.370 nan 0.000 0.521 264 G N 0.190 108.959 108.800 -0.051 0.000 2.199 264 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.254 264 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.254 264 G C 0.493 175.352 174.900 -0.069 0.000 0.982 264 G CA 0.490 45.554 45.100 -0.059 0.000 0.632 264 G HN 0.847 nan 8.290 nan 0.000 0.529 265 S N -0.384 115.281 115.700 -0.058 0.000 2.600 265 S HA 0.625 5.094 4.470 -0.001 0.000 0.265 265 S C 0.092 174.651 174.600 -0.069 0.000 1.325 265 S CA 0.102 58.268 58.200 -0.057 0.000 1.002 265 S CB 1.426 64.603 63.200 -0.037 0.000 0.921 265 S HN 0.341 nan 8.310 nan 0.000 0.554 266 K N 1.225 121.585 120.400 -0.067 0.000 2.227 266 K HA 0.318 4.637 4.320 -0.001 0.000 0.280 266 K C -0.704 175.888 176.600 -0.014 0.000 1.041 266 K CA -0.143 56.102 56.287 -0.070 0.000 0.905 266 K CB 0.520 32.973 32.500 -0.078 0.000 1.068 266 K HN 0.721 nan 8.250 nan 0.000 0.470 267 H N 1.966 120.973 119.070 -0.105 0.000 2.640 267 H HA 0.369 4.925 4.556 -0.001 0.000 0.297 267 H C -0.987 174.281 175.328 -0.100 0.000 1.073 267 H CA -0.543 55.456 56.048 -0.082 0.000 1.305 267 H CB 0.466 30.186 29.762 -0.070 0.000 1.404 267 H HN 0.245 nan 8.280 nan 0.000 0.459 268 V N 5.430 125.085 119.914 -0.431 0.000 2.472 268 V HA 0.319 4.438 4.120 -0.001 0.000 0.290 268 V C 0.093 175.858 176.094 -0.549 0.000 1.037 268 V CA -0.593 61.438 62.300 -0.450 0.000 0.908 268 V CB 1.748 33.271 31.823 -0.499 0.000 0.985 268 V HN 0.872 nan 8.190 nan 0.000 0.454 269 T N 5.281 119.575 114.554 -0.434 0.000 2.792 269 T HA 0.620 4.969 4.350 -0.001 0.000 0.280 269 T C -0.553 173.950 174.700 -0.328 0.000 0.990 269 T CA -0.136 61.803 62.100 -0.268 0.000 0.960 269 T CB 0.676 69.491 68.868 -0.090 0.000 0.939 269 T HN 0.264 nan 8.240 nan 0.000 0.439 270 F N 1.238 121.154 119.950 -0.057 0.000 2.370 270 F HA 0.307 4.834 4.527 -0.001 0.000 0.324 270 F C 1.965 177.748 175.800 -0.029 0.000 1.116 270 F CA -0.762 57.213 58.000 -0.042 0.000 1.123 270 F CB 0.709 39.682 39.000 -0.045 0.000 1.238 270 F HN 0.655 nan 8.300 nan 0.000 0.536 271 E N 0.264 120.553 120.200 0.148 0.000 2.187 271 E HA -0.237 4.112 4.350 -0.001 0.000 0.199 271 E C 1.999 178.646 176.600 0.079 0.000 1.004 271 E CA 1.783 58.231 56.400 0.080 0.000 0.813 271 E CB -0.145 29.590 29.700 0.057 0.000 0.736 271 E HN 0.640 nan 8.360 nan 0.000 0.468 272 S N -1.203 114.561 115.700 0.106 0.000 2.522 272 S HA 0.076 4.545 4.470 -0.001 0.000 0.227 272 S C 1.682 176.317 174.600 0.058 0.000 0.986 272 S CA 0.601 58.835 58.200 0.057 0.000 0.929 272 S CB 0.459 63.672 63.200 0.021 0.000 0.769 272 S HN 0.431 nan 8.310 nan 0.000 0.529 273 G N 1.038 109.892 108.800 0.091 0.000 2.213 273 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.226 273 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.226 273 G C 0.029 174.985 174.900 0.093 0.000 0.992 273 G CA 0.115 45.260 45.100 0.075 0.000 0.632 273 G HN 0.779 nan 8.290 nan 0.000 0.511 274 K N 1.630 122.098 120.400 0.113 0.000 2.355 274 K HA 0.512 4.832 4.320 -0.001 0.000 0.270 274 K C 0.693 177.451 176.600 0.264 0.000 1.003 274 K CA 0.693 57.045 56.287 0.109 0.000 0.957 274 K CB 0.352 32.839 32.500 -0.022 0.000 0.939 274 K HN 0.446 nan 8.250 nan 0.000 0.482 275 T N 1.092 115.745 114.554 0.166 0.000 2.916 275 T HA 0.646 4.995 4.350 -0.001 0.000 0.292 275 T C -1.220 173.530 174.700 0.083 0.000 1.064 275 T CA -1.070 61.074 62.100 0.073 0.000 1.011 275 T CB 1.444 70.261 68.868 -0.085 0.000 1.152 275 T HN 0.439 nan 8.240 nan 0.000 0.510 276 L N 0.946 122.147 121.223 -0.036 0.000 2.513 276 L HA 0.577 4.917 4.340 -0.001 0.000 0.261 276 L C -1.981 174.842 176.870 -0.079 0.000 0.945 276 L CA -0.380 54.474 54.840 0.023 0.000 0.848 276 L CB 2.331 44.507 42.059 0.195 0.000 1.334 276 L HN 0.764 nan 8.230 nan 0.000 0.407 277 D N 4.002 124.393 120.400 -0.015 0.000 2.233 277 D HA 0.646 5.286 4.640 -0.001 0.000 0.240 277 D C -0.530 175.758 176.300 -0.020 0.000 1.074 277 D CA 0.181 54.181 54.000 -0.001 0.000 0.838 277 D CB 2.158 42.990 40.800 0.052 0.000 1.124 277 D HN 0.465 nan 8.370 nan 0.000 0.475 278 V N -0.794 119.095 119.914 -0.042 0.000 3.130 278 V HA 0.422 4.541 4.120 -0.001 0.000 0.310 278 V C 0.316 176.363 176.094 -0.079 0.000 1.158 278 V CA -0.782 61.479 62.300 -0.065 0.000 1.029 278 V CB 2.556 34.332 31.823 -0.078 0.000 1.057 278 V HN 0.270 nan 8.190 nan 0.000 0.436 279 D N 0.613 120.950 120.400 -0.104 0.000 2.277 279 D HA 0.150 4.790 4.640 -0.001 0.000 0.208 279 D C 0.286 176.507 176.300 -0.132 0.000 0.962 279 D CA 1.338 55.270 54.000 -0.113 0.000 0.865 279 D CB 1.149 41.874 40.800 -0.125 0.000 0.939 279 D HN 0.378 nan 8.370 nan 0.000 0.510 280 V N 0.804 120.618 119.914 -0.168 0.000 2.891 280 V HA 0.201 4.321 4.120 -0.001 0.000 0.304 280 V C -0.734 175.258 176.094 -0.169 0.000 1.171 280 V CA -0.816 61.375 62.300 -0.182 0.000 0.943 280 V CB 3.187 34.837 31.823 -0.288 0.000 1.037 280 V HN -0.286 nan 8.190 nan 0.000 0.427 281 V N 5.176 125.017 119.914 -0.121 0.000 2.349 281 V HA 0.459 4.578 4.120 -0.001 0.000 0.284 281 V C -0.087 175.949 176.094 -0.097 0.000 1.014 281 V CA -0.277 61.963 62.300 -0.099 0.000 0.826 281 V CB 1.556 33.334 31.823 -0.075 0.000 1.009 281 V HN 0.878 nan 8.190 nan 0.000 0.431 282 M N 6.060 125.598 119.600 -0.103 0.000 2.063 282 M HA 0.477 4.957 4.480 -0.001 0.000 0.348 282 M C -0.569 175.680 176.300 -0.086 0.000 1.180 282 M CA -0.466 54.768 55.300 -0.110 0.000 1.059 282 M CB 0.878 33.411 32.600 -0.111 0.000 1.544 282 M HN 0.459 nan 8.290 nan 0.000 0.447 283 M N 3.970 123.516 119.600 -0.090 0.000 2.188 283 M HA 0.267 4.747 4.480 -0.001 0.000 0.354 283 M C 0.081 176.326 176.300 -0.091 0.000 1.342 283 M CA 0.147 55.406 55.300 -0.068 0.000 1.117 283 M CB 0.504 33.069 32.600 -0.059 0.000 1.670 283 M HN 0.776 nan 8.290 nan 0.000 0.466 284 A N 4.492 127.276 122.820 -0.060 0.000 3.106 284 A HA 0.376 4.696 4.320 -0.001 0.000 0.227 284 A C 0.660 178.226 177.584 -0.029 0.000 0.920 284 A CA -0.438 51.550 52.037 -0.081 0.000 1.088 284 A CB -0.411 18.531 19.000 -0.098 0.000 1.233 284 A HN 0.919 nan 8.150 nan 0.000 0.503 285 I N -3.903 116.667 120.570 -0.001 0.000 3.793 285 I HA 0.610 4.779 4.170 -0.001 0.000 0.315 285 I C 0.692 176.842 176.117 0.055 0.000 1.275 285 I CA 0.401 61.731 61.300 0.050 0.000 1.214 285 I CB 0.523 38.559 38.000 0.060 0.000 1.018 285 I HN 0.409 nan 8.210 nan 0.000 0.439 286 G N 0.908 109.725 108.800 0.028 0.000 2.336 286 G HA2 0.368 4.328 3.960 -0.001 0.000 0.300 286 G HA3 0.368 4.328 3.960 -0.001 0.000 0.300 286 G C -1.624 173.301 174.900 0.043 0.000 1.375 286 G CA -1.126 44.005 45.100 0.051 0.000 0.885 286 G HN 0.155 nan 8.290 nan 0.000 0.599 287 R N -0.461 120.085 120.500 0.076 0.000 2.628 287 R HA 0.654 4.994 4.340 -0.001 0.000 0.288 287 R C -0.210 176.164 176.300 0.124 0.000 0.980 287 R CA -0.872 55.284 56.100 0.093 0.000 0.891 287 R CB 2.188 32.549 30.300 0.102 0.000 1.188 287 R HN 0.727 nan 8.270 nan 0.000 0.450 288 I N -0.406 120.258 120.570 0.157 0.000 2.474 288 I HA 0.584 4.753 4.170 -0.001 0.000 0.294 288 I C -2.442 173.782 176.117 0.179 0.000 1.005 288 I CA -3.033 58.360 61.300 0.154 0.000 1.113 288 I CB 2.058 40.147 38.000 0.149 0.000 1.289 288 I HN 0.303 nan 8.210 nan 0.000 0.436 289 P HA 0.039 nan 4.420 nan 0.000 0.265 289 P C -0.733 176.648 177.300 0.135 0.000 1.193 289 P CA -0.086 63.095 63.100 0.135 0.000 0.765 289 P CB 0.639 32.399 31.700 0.101 0.000 0.823 290 R N 2.155 122.739 120.500 0.140 0.000 3.235 290 R HA 0.147 4.486 4.340 -0.001 0.000 0.232 290 R C 1.118 177.460 176.300 0.070 0.000 1.475 290 R CA 0.070 56.235 56.100 0.109 0.000 1.405 290 R CB -0.447 29.929 30.300 0.128 0.000 1.266 290 R HN 0.534 nan 8.270 nan 0.000 0.650 291 T N -2.264 112.324 114.554 0.057 0.000 3.014 291 T HA 0.028 4.378 4.350 -0.001 0.000 0.250 291 T C 1.182 175.895 174.700 0.022 0.000 1.060 291 T CA -0.035 62.090 62.100 0.042 0.000 1.040 291 T CB 0.145 69.038 68.868 0.041 0.000 0.971 291 T HN 0.351 nan 8.240 nan 0.000 0.497 292 N N 2.521 121.226 118.700 0.008 0.000 2.223 292 N HA -0.102 4.638 4.740 -0.001 0.000 0.185 292 N C 0.677 176.170 175.510 -0.028 0.000 1.016 292 N CA 1.435 54.477 53.050 -0.014 0.000 0.863 292 N CB -0.157 38.312 38.487 -0.030 0.000 0.983 292 N HN 0.569 nan 8.380 nan 0.000 0.429 293 D N 0.416 120.805 120.400 -0.018 0.000 2.349 293 D HA 0.116 4.755 4.640 -0.001 0.000 0.214 293 D C 1.697 178.005 176.300 0.013 0.000 1.063 293 D CA -0.033 53.953 54.000 -0.022 0.000 0.847 293 D CB 0.363 41.158 40.800 -0.009 0.000 0.933 293 D HN 0.240 nan 8.370 nan 0.000 0.513 294 L N 0.356 121.590 121.223 0.018 0.000 2.492 294 L HA -0.040 4.300 4.340 -0.001 0.000 0.223 294 L C 0.261 177.135 176.870 0.007 0.000 1.132 294 L CA 0.326 55.179 54.840 0.022 0.000 0.850 294 L CB -0.075 42.001 42.059 0.027 0.000 0.966 294 L HN -0.129 nan 8.230 nan 0.000 0.454 295 Q N -0.347 119.452 119.800 -0.003 0.000 2.463 295 Q HA -0.223 4.117 4.340 -0.001 0.000 0.299 295 Q C 1.024 177.020 176.000 -0.006 0.000 1.353 295 Q CA 0.592 56.390 55.803 -0.009 0.000 0.828 295 Q CB -2.221 26.509 28.738 -0.013 0.000 1.157 295 Q HN 0.503 nan 8.270 nan 0.000 0.436 296 L N -1.596 119.626 121.223 -0.001 0.000 2.265 296 L HA -0.144 4.196 4.340 -0.001 0.000 0.215 296 L C 2.239 179.106 176.870 -0.005 0.000 1.117 296 L CA 1.480 56.320 54.840 -0.001 0.000 0.782 296 L CB -0.367 41.695 42.059 0.005 0.000 0.914 296 L HN 0.502 nan 8.230 nan 0.000 0.441 297 G N -0.012 108.785 108.800 -0.006 0.000 2.432 297 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.219 297 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.219 297 G C 1.331 176.225 174.900 -0.010 0.000 1.135 297 G CA 0.498 45.593 45.100 -0.007 0.000 0.767 297 G HN 0.357 nan 8.290 nan 0.000 0.550 298 N N 0.233 118.926 118.700 -0.011 0.000 2.272 298 N HA -0.110 4.630 4.740 -0.001 0.000 0.185 298 N C 2.122 177.624 175.510 -0.014 0.000 1.014 298 N CA 1.682 54.724 53.050 -0.013 0.000 0.870 298 N CB 0.010 38.489 38.487 -0.013 0.000 0.975 298 N HN 0.481 nan 8.380 nan 0.000 0.433 299 V N -5.976 113.929 119.914 -0.014 0.000 3.548 299 V HA 0.563 4.683 4.120 -0.001 0.000 0.279 299 V C 1.113 177.197 176.094 -0.018 0.000 1.446 299 V CA 0.362 62.651 62.300 -0.018 0.000 1.023 299 V CB 0.258 32.067 31.823 -0.023 0.000 0.820 299 V HN 0.149 nan 8.190 nan 0.000 0.438 300 G N 0.928 109.720 108.800 -0.013 0.000 2.130 300 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.216 300 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.216 300 G C 0.017 174.912 174.900 -0.009 0.000 0.999 300 G CA -0.032 45.062 45.100 -0.010 0.000 0.686 300 G HN 0.807 nan 8.290 nan 0.000 0.515 301 V N 0.997 120.906 119.914 -0.009 0.000 2.557 301 V HA 0.131 4.250 4.120 -0.001 0.000 0.301 301 V C 1.198 177.294 176.094 0.003 0.000 1.026 301 V CA 0.588 62.885 62.300 -0.005 0.000 1.137 301 V CB 0.933 32.754 31.823 -0.002 0.000 0.917 301 V HN 0.363 nan 8.190 nan 0.000 0.484 302 K N 5.315 125.718 120.400 0.006 0.000 2.249 302 K HA 0.478 4.797 4.320 -0.001 0.000 0.280 302 K C -0.535 176.075 176.600 0.016 0.000 1.033 302 K CA -0.340 55.953 56.287 0.010 0.000 0.946 302 K CB 0.850 33.356 32.500 0.010 0.000 1.005 302 K HN 0.508 nan 8.250 nan 0.000 0.469 303 L N 2.183 123.416 121.223 0.017 0.000 2.360 303 L HA 0.292 4.631 4.340 -0.001 0.000 0.271 303 L C 0.898 177.780 176.870 0.020 0.000 1.057 303 L CA -0.799 54.054 54.840 0.022 0.000 0.803 303 L CB 1.611 43.684 42.059 0.022 0.000 1.207 303 L HN 0.766 nan 8.230 nan 0.000 0.445 304 T N -1.905 112.663 114.554 0.023 0.000 2.828 304 T HA 0.184 4.534 4.350 -0.001 0.000 0.290 304 T C -1.817 172.895 174.700 0.020 0.000 1.019 304 T CA -1.465 60.647 62.100 0.020 0.000 1.031 304 T CB 0.834 69.714 68.868 0.020 0.000 1.001 304 T HN 0.375 nan 8.240 nan 0.000 0.531 305 P HA -0.077 nan 4.420 nan 0.000 0.217 305 P C 1.255 178.568 177.300 0.022 0.000 1.148 305 P CA 1.123 64.234 63.100 0.017 0.000 0.828 305 P CB 0.084 31.793 31.700 0.015 0.000 0.783 306 K N -1.788 118.626 120.400 0.024 0.000 2.432 306 K HA 0.091 4.411 4.320 -0.001 0.000 0.196 306 K C 1.255 177.877 176.600 0.037 0.000 1.038 306 K CA 1.068 57.373 56.287 0.030 0.000 0.986 306 K CB -0.260 32.258 32.500 0.030 0.000 0.782 306 K HN 0.205 nan 8.250 nan 0.000 0.485 307 G N -0.860 107.962 108.800 0.036 0.000 2.284 307 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.201 307 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.201 307 G C 0.314 175.242 174.900 0.047 0.000 0.998 307 G CA -0.305 44.820 45.100 0.042 0.000 0.651 307 G HN 0.535 nan 8.290 nan 0.000 0.489 308 G N -0.149 108.678 108.800 0.046 0.000 2.572 308 G HA2 0.557 4.517 3.960 -0.001 0.000 0.261 308 G HA3 0.557 4.517 3.960 -0.001 0.000 0.261 308 G C 0.343 175.269 174.900 0.043 0.000 1.197 308 G CA 0.221 45.350 45.100 0.050 0.000 0.870 308 G HN 0.918 nan 8.290 nan 0.000 0.548 309 V N 1.407 121.350 119.914 0.048 0.000 2.485 309 V HA 0.040 4.159 4.120 -0.001 0.000 0.287 309 V C 0.858 176.977 176.094 0.041 0.000 1.022 309 V CA 0.095 62.422 62.300 0.045 0.000 1.067 309 V CB 0.747 32.603 31.823 0.054 0.000 0.967 309 V HN 0.796 nan 8.190 nan 0.000 0.479 310 Q N 3.750 123.570 119.800 0.034 0.000 2.352 310 Q HA 0.496 4.835 4.340 -0.001 0.000 0.260 310 Q C -0.630 175.396 176.000 0.043 0.000 0.976 310 Q CA -0.207 55.615 55.803 0.032 0.000 0.881 310 Q CB 1.381 30.134 28.738 0.025 0.000 1.235 310 Q HN 0.796 nan 8.270 nan 0.000 0.419 311 V N 0.064 120.006 119.914 0.045 0.000 3.178 311 V HA 0.464 4.583 4.120 -0.001 0.000 0.302 311 V C -0.996 175.136 176.094 0.063 0.000 1.262 311 V CA -1.136 61.205 62.300 0.068 0.000 1.030 311 V CB 1.794 33.668 31.823 0.084 0.000 1.074 311 V HN 0.942 nan 8.190 nan 0.000 0.438 312 D N 0.594 121.051 120.400 0.095 0.000 2.478 312 D HA 0.292 4.931 4.640 -0.001 0.000 0.274 312 D C 0.827 177.170 176.300 0.070 0.000 1.234 312 D CA -0.016 54.041 54.000 0.096 0.000 1.069 312 D CB 0.559 41.447 40.800 0.147 0.000 1.113 312 D HN 0.692 nan 8.370 nan 0.000 0.571 313 E N -1.272 118.943 120.200 0.025 0.000 2.160 313 E HA -0.133 4.217 4.350 -0.001 0.000 0.195 313 E C 1.102 177.538 176.600 -0.273 0.000 0.991 313 E CA 0.965 57.281 56.400 -0.140 0.000 0.810 313 E CB -0.359 29.171 29.700 -0.282 0.000 0.742 313 E HN 0.400 nan 8.360 nan 0.000 0.466 314 F N 0.138 120.125 119.950 0.062 0.000 2.731 314 F HA 0.137 4.664 4.527 -0.001 0.000 0.304 314 F C 0.706 176.545 175.800 0.065 0.000 1.133 314 F CA 0.082 58.110 58.000 0.047 0.000 1.380 314 F CB 0.250 39.266 39.000 0.026 0.000 1.079 314 F HN -0.244 nan 8.300 nan 0.000 0.550 315 S N -0.232 115.576 115.700 0.181 0.000 3.482 315 S HA -0.226 4.244 4.470 -0.001 0.000 0.294 315 S C 0.333 175.095 174.600 0.271 0.000 1.244 315 S CA 0.245 58.555 58.200 0.185 0.000 0.911 315 S CB -1.444 61.846 63.200 0.150 0.000 1.070 315 S HN 0.472 nan 8.310 nan 0.000 0.614 316 R N 2.035 122.699 120.500 0.273 0.000 2.312 316 R HA 0.464 4.804 4.340 -0.001 0.000 0.311 316 R C 1.071 177.450 176.300 0.132 0.000 1.004 316 R CA 0.090 56.349 56.100 0.265 0.000 0.902 316 R CB 0.842 31.292 30.300 0.249 0.000 1.073 316 R HN 0.468 nan 8.270 nan 0.000 0.457 317 T N -1.099 113.494 114.554 0.065 0.000 2.715 317 T HA -0.032 4.318 4.350 -0.001 0.000 0.320 317 T C 1.106 175.812 174.700 0.009 0.000 1.046 317 T CA -0.159 61.957 62.100 0.026 0.000 0.983 317 T CB 0.389 69.254 68.868 -0.004 0.000 1.183 317 T HN 0.768 nan 8.240 nan 0.000 0.522 318 N N -1.069 117.632 118.700 0.002 0.000 2.515 318 N HA 0.075 4.815 4.740 -0.001 0.000 0.185 318 N C -0.193 175.304 175.510 -0.021 0.000 1.109 318 N CA -0.192 52.857 53.050 -0.002 0.000 0.903 318 N CB -0.042 38.447 38.487 0.002 0.000 0.969 318 N HN 0.330 nan 8.380 nan 0.000 0.450 319 V N 1.919 121.807 119.914 -0.044 0.000 2.333 319 V HA 0.217 4.337 4.120 -0.001 0.000 0.274 319 V C -1.219 174.810 176.094 -0.109 0.000 1.028 319 V CA -1.612 60.648 62.300 -0.067 0.000 0.851 319 V CB 1.268 33.049 31.823 -0.070 0.000 1.000 319 V HN 0.023 nan 8.190 nan 0.000 0.456 320 P HA -0.202 nan 4.420 nan 0.000 0.218 320 P C 0.870 178.076 177.300 -0.157 0.000 1.154 320 P CA 1.694 64.747 63.100 -0.078 0.000 0.872 320 P CB 0.094 31.765 31.700 -0.048 0.000 0.790 321 N N -1.099 117.466 118.700 -0.224 0.000 2.235 321 N HA 0.068 4.808 4.740 -0.001 0.000 0.209 321 N C 0.060 175.189 175.510 -0.636 0.000 1.122 321 N CA -0.075 52.779 53.050 -0.326 0.000 0.845 321 N CB 0.031 38.401 38.487 -0.195 0.000 1.004 321 N HN 0.203 nan 8.380 nan 0.000 0.499 322 I N 1.250 121.433 120.570 -0.645 0.000 2.378 322 I HA 0.356 4.525 4.170 -0.001 0.000 0.291 322 I C -0.894 174.889 176.117 -0.556 0.000 0.992 322 I CA -0.966 60.046 61.300 -0.481 0.000 1.154 322 I CB 0.941 38.834 38.000 -0.178 0.000 1.315 322 I HN -0.138 nan 8.210 nan 0.000 0.448 323 Y N 4.069 124.417 120.300 0.079 0.000 2.630 323 Y HA 0.856 5.406 4.550 -0.001 0.000 0.337 323 Y C 0.090 176.035 175.900 0.074 0.000 1.051 323 Y CA -1.167 56.979 58.100 0.076 0.000 1.121 323 Y CB 1.782 40.291 38.460 0.080 0.000 1.299 323 Y HN 0.546 nan 8.280 nan 0.000 0.498 324 A N 1.958 124.921 122.820 0.237 0.000 2.520 324 A HA 0.863 5.182 4.320 -0.001 0.000 0.298 324 A C -1.284 176.388 177.584 0.146 0.000 1.051 324 A CA -0.625 51.508 52.037 0.161 0.000 0.690 324 A CB 1.237 20.305 19.000 0.113 0.000 1.281 324 A HN 0.811 nan 8.150 nan 0.000 0.402 325 I N -1.135 119.513 120.570 0.130 0.000 3.191 325 I HA 0.922 5.091 4.170 -0.001 0.000 0.313 325 I C 0.415 176.599 176.117 0.113 0.000 1.193 325 I CA -0.281 61.090 61.300 0.119 0.000 0.968 325 I CB 1.843 39.910 38.000 0.112 0.000 1.262 325 I HN 2.092 nan 8.210 nan 0.000 0.456 326 G N 2.749 111.618 108.800 0.114 0.000 2.593 326 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.237 326 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.237 326 G C -0.026 174.941 174.900 0.111 0.000 1.312 326 G CA 0.569 45.736 45.100 0.113 0.000 0.896 326 G HN 0.847 nan 8.290 nan 0.000 0.574 327 D N -0.306 120.166 120.400 0.120 0.000 2.182 327 D HA -0.064 4.575 4.640 -0.001 0.000 0.201 327 D C 2.344 178.713 176.300 0.115 0.000 0.986 327 D CA 1.052 55.127 54.000 0.124 0.000 0.847 327 D CB -0.115 40.773 40.800 0.148 0.000 0.942 327 D HN 0.464 nan 8.370 nan 0.000 0.467 328 I N 1.109 121.746 120.570 0.113 0.000 2.502 328 I HA -0.250 3.920 4.170 -0.001 0.000 0.258 328 I C 1.588 177.755 176.117 0.083 0.000 1.172 328 I CA 1.393 62.753 61.300 0.100 0.000 1.430 328 I CB -0.039 38.019 38.000 0.096 0.000 1.086 328 I HN 0.089 nan 8.210 nan 0.000 0.440 329 T N -3.233 111.368 114.554 0.079 0.000 3.129 329 T HA -0.004 4.346 4.350 -0.001 0.000 0.251 329 T C 0.796 175.523 174.700 0.044 0.000 1.117 329 T CA 0.343 62.478 62.100 0.058 0.000 1.034 329 T CB -0.302 68.596 68.868 0.051 0.000 0.968 329 T HN 0.389 nan 8.240 nan 0.000 0.526 330 D N 0.837 121.273 120.400 0.061 0.000 2.697 330 D HA -0.185 4.455 4.640 -0.001 0.000 0.235 330 D C 0.469 176.789 176.300 0.033 0.000 1.167 330 D CA 0.842 54.877 54.000 0.058 0.000 0.656 330 D CB -0.908 39.926 40.800 0.056 0.000 1.025 330 D HN 0.727 nan 8.370 nan 0.000 0.419 331 R N -0.428 120.086 120.500 0.025 0.000 2.271 331 R HA 0.520 4.860 4.340 -0.001 0.000 0.117 331 R C -0.032 176.278 176.300 0.016 0.000 1.644 331 R CA -0.549 55.542 56.100 -0.015 0.000 1.414 331 R CB 0.187 30.430 30.300 -0.095 0.000 1.196 331 R HN 0.128 nan 8.270 nan 0.000 0.447 332 L N 2.960 124.200 121.223 0.028 0.000 2.281 332 L HA 0.379 4.718 4.340 -0.001 0.000 0.285 332 L C -0.197 176.723 176.870 0.083 0.000 1.074 332 L CA -0.033 54.843 54.840 0.059 0.000 0.817 332 L CB 1.515 43.627 42.059 0.089 0.000 1.168 332 L HN 0.512 nan 8.230 nan 0.000 0.434 333 M N 6.593 126.247 119.600 0.090 0.000 3.028 333 M HA 0.420 4.899 4.480 -0.001 0.000 0.296 333 M C -1.101 175.266 176.300 0.112 0.000 1.314 333 M CA 0.020 55.394 55.300 0.122 0.000 1.383 333 M CB 0.188 32.888 32.600 0.166 0.000 1.128 333 M HN 0.449 nan 8.290 nan 0.000 0.544 334 L N -0.244 121.033 121.223 0.090 0.000 2.445 334 L HA 0.390 4.730 4.340 -0.001 0.000 0.262 334 L C 1.022 177.937 176.870 0.074 0.000 0.974 334 L CA -0.456 54.422 54.840 0.065 0.000 0.822 334 L CB 2.428 44.503 42.059 0.027 0.000 1.339 334 L HN 0.262 nan 8.230 nan 0.000 0.409 335 T N 1.334 115.932 114.554 0.074 0.000 2.674 335 T HA -0.059 4.291 4.350 -0.001 0.000 0.265 335 T C -1.153 173.577 174.700 0.051 0.000 1.039 335 T CA 1.838 63.980 62.100 0.071 0.000 1.150 335 T CB -0.390 68.521 68.868 0.072 0.000 0.864 335 T HN 0.446 nan 8.240 nan 0.000 0.427 336 P HA 0.058 nan 4.420 nan 0.000 0.226 336 P C 1.332 178.643 177.300 0.018 0.000 1.153 336 P CA 0.403 63.517 63.100 0.024 0.000 0.777 336 P CB -0.066 31.645 31.700 0.018 0.000 0.794 337 V N 0.196 120.127 119.914 0.028 0.000 2.323 337 V HA -0.191 3.929 4.120 -0.001 0.000 0.244 337 V C 2.463 178.583 176.094 0.044 0.000 1.041 337 V CA 2.097 64.413 62.300 0.026 0.000 1.025 337 V CB -1.654 30.205 31.823 0.061 0.000 0.656 337 V HN 0.092 nan 8.190 nan 0.000 0.451 338 A N 0.205 123.065 122.820 0.066 0.000 1.908 338 A HA -0.216 4.104 4.320 -0.001 0.000 0.218 338 A C 2.191 179.809 177.584 0.058 0.000 1.181 338 A CA 2.133 54.215 52.037 0.075 0.000 0.627 338 A CB -0.606 18.445 19.000 0.086 0.000 0.818 338 A HN 0.508 nan 8.150 nan 0.000 0.445 339 I N -0.263 120.333 120.570 0.043 0.000 2.179 339 I HA -0.278 3.892 4.170 -0.001 0.000 0.242 339 I C 2.566 178.698 176.117 0.025 0.000 1.088 339 I CA 1.527 62.845 61.300 0.030 0.000 1.357 339 I CB -0.546 37.463 38.000 0.015 0.000 1.051 339 I HN 0.503 nan 8.210 nan 0.000 0.409 340 N N 1.095 119.802 118.700 0.010 0.000 2.069 340 N HA -0.241 4.499 4.740 -0.001 0.000 0.191 340 N C 1.765 177.272 175.510 -0.005 0.000 1.031 340 N CA 1.745 54.791 53.050 -0.008 0.000 0.852 340 N CB -0.001 38.461 38.487 -0.042 0.000 1.018 340 N HN 0.425 nan 8.380 nan 0.000 0.423 341 E N -0.386 119.817 120.200 0.005 0.000 2.058 341 E HA -0.149 4.201 4.350 -0.001 0.000 0.194 341 E C 1.991 178.616 176.600 0.042 0.000 0.997 341 E CA 1.129 57.544 56.400 0.025 0.000 0.801 341 E CB -0.359 29.382 29.700 0.068 0.000 0.746 341 E HN 0.486 nan 8.360 nan 0.000 0.450 342 G N 1.085 109.918 108.800 0.055 0.000 2.418 342 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.217 342 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.217 342 G C 1.676 176.619 174.900 0.072 0.000 1.158 342 G CA 0.978 46.118 45.100 0.068 0.000 0.771 342 G HN 0.359 nan 8.290 nan 0.000 0.545 343 A N 1.234 124.093 122.820 0.065 0.000 1.877 343 A HA 0.271 4.590 4.320 -0.001 0.000 0.216 343 A C 2.858 180.489 177.584 0.078 0.000 1.186 343 A CA 2.352 54.437 52.037 0.080 0.000 0.620 343 A CB -0.946 18.091 19.000 0.062 0.000 0.822 343 A HN 0.830 nan 8.150 nan 0.000 0.443 344 A N -0.223 122.625 122.820 0.047 0.000 1.883 344 A HA -0.110 4.209 4.320 -0.001 0.000 0.217 344 A C 2.188 179.796 177.584 0.041 0.000 1.186 344 A CA 1.915 53.977 52.037 0.042 0.000 0.624 344 A CB -0.805 18.200 19.000 0.009 0.000 0.822 344 A HN 0.921 nan 8.150 nan 0.000 0.444 345 L N -0.118 121.113 121.223 0.015 0.000 2.012 345 L HA -0.135 4.204 4.340 -0.001 0.000 0.210 345 L C 2.295 179.096 176.870 -0.115 0.000 1.073 345 L CA 2.265 57.065 54.840 -0.066 0.000 0.748 345 L CB -0.545 41.455 42.059 -0.099 0.000 0.891 345 L HN 0.132 nan 8.230 nan 0.000 0.431 346 V N -0.204 119.714 119.914 0.008 0.000 2.548 346 V HA -0.202 3.917 4.120 -0.001 0.000 0.249 346 V C 2.196 178.347 176.094 0.094 0.000 1.055 346 V CA 1.680 64.052 62.300 0.121 0.000 1.065 346 V CB -0.775 31.211 31.823 0.273 0.000 0.681 346 V HN 0.462 nan 8.190 nan 0.000 0.462 347 D N -0.042 120.419 120.400 0.101 0.000 2.144 347 D HA -0.120 4.520 4.640 -0.001 0.000 0.199 347 D C 2.280 178.515 176.300 -0.108 0.000 0.984 347 D CA 1.729 55.759 54.000 0.051 0.000 0.834 347 D CB -0.162 40.708 40.800 0.116 0.000 0.955 347 D HN 0.393 nan 8.370 nan 0.000 0.465 348 T N -0.165 114.332 114.554 -0.096 0.000 2.851 348 T HA -0.030 4.320 4.350 -0.001 0.000 0.262 348 T C 2.192 176.731 174.700 -0.269 0.000 1.043 348 T CA 0.517 62.536 62.100 -0.134 0.000 1.140 348 T CB -0.064 68.768 68.868 -0.061 0.000 0.872 348 T HN -0.039 nan 8.240 nan 0.000 0.446 349 V N 0.133 119.797 119.914 -0.416 0.000 2.379 349 V HA 0.075 4.194 4.120 -0.001 0.000 0.243 349 V C 1.588 177.235 176.094 -0.745 0.000 1.035 349 V CA 1.401 63.276 62.300 -0.709 0.000 1.035 349 V CB -0.377 30.730 31.823 -1.194 0.000 0.673 349 V HN 0.402 nan 8.190 nan 0.000 0.457 350 F N -0.050 119.699 119.950 -0.336 0.000 2.706 350 F HA 0.421 4.948 4.527 -0.001 0.000 0.308 350 F C 1.871 177.237 175.800 -0.724 0.000 1.095 350 F CA 0.502 58.269 58.000 -0.387 0.000 1.244 350 F CB 0.051 38.896 39.000 -0.258 0.000 1.063 350 F HN 0.140 nan 8.300 nan 0.000 0.582 351 G N -0.202 108.194 108.800 -0.674 0.000 3.192 351 G HA2 -0.026 3.933 3.960 -0.001 0.000 0.239 351 G HA3 -0.026 3.933 3.960 -0.001 0.000 0.239 351 G C 0.153 174.846 174.900 -0.344 0.000 1.084 351 G CA -0.198 44.327 45.100 -0.958 0.000 0.784 351 G HN 0.263 nan 8.290 nan 0.000 0.540 352 N N 1.375 119.930 118.700 -0.241 0.000 2.722 352 N HA -0.237 4.503 4.740 -0.001 0.000 0.274 352 N C -0.455 175.003 175.510 -0.086 0.000 0.987 352 N CA 1.361 54.329 53.050 -0.137 0.000 0.817 352 N CB -1.657 36.772 38.487 -0.096 0.000 0.921 352 N HN 0.630 nan 8.380 nan 0.000 0.565 353 K N -1.451 118.902 120.400 -0.078 0.000 2.950 353 K HA 0.357 4.677 4.320 -0.001 0.000 0.199 353 K C -3.049 173.551 176.600 -0.000 0.000 1.144 353 K CA -1.530 54.745 56.287 -0.020 0.000 0.983 353 K CB 1.264 33.775 32.500 0.018 0.000 1.187 353 K HN -0.003 nan 8.250 nan 0.000 0.595 354 P HA -0.039 nan 4.420 nan 0.000 0.263 354 P C -0.753 176.646 177.300 0.165 0.000 1.175 354 P CA 0.008 63.138 63.100 0.049 0.000 0.761 354 P CB 0.495 32.186 31.700 -0.016 0.000 0.794 355 R N 1.853 122.517 120.500 0.273 0.000 2.563 355 R HA 0.236 4.575 4.340 -0.001 0.000 0.262 355 R C -0.972 175.386 176.300 0.097 0.000 1.128 355 R CA -0.800 55.407 56.100 0.179 0.000 0.969 355 R CB 1.677 32.026 30.300 0.081 0.000 1.251 355 R HN 0.496 nan 8.270 nan 0.000 0.442 356 K N 1.562 121.888 120.400 -0.122 0.000 2.221 356 K HA 0.413 4.732 4.320 -0.001 0.000 0.258 356 K C -0.583 175.896 176.600 -0.202 0.000 0.944 356 K CA -0.785 55.297 56.287 -0.341 0.000 0.823 356 K CB 2.051 34.124 32.500 -0.713 0.000 1.113 356 K HN 0.230 nan 8.250 nan 0.000 0.431 357 T N 2.184 116.615 114.554 -0.205 0.000 2.934 357 T HA -0.069 4.280 4.350 -0.001 0.000 0.306 357 T C -0.317 174.184 174.700 -0.332 0.000 1.042 357 T CA 0.336 62.269 62.100 -0.277 0.000 1.145 357 T CB 0.260 68.898 68.868 -0.384 0.000 0.982 357 T HN 0.563 nan 8.240 nan 0.000 0.544 358 D N 1.220 121.465 120.400 -0.260 0.000 2.316 358 D HA 0.048 4.688 4.640 -0.001 0.000 0.245 358 D C 0.839 176.992 176.300 -0.245 0.000 1.171 358 D CA -0.300 53.592 54.000 -0.181 0.000 0.856 358 D CB 0.423 41.170 40.800 -0.089 0.000 1.090 358 D HN 0.554 nan 8.370 nan 0.000 0.476 359 H N 2.145 121.198 119.070 -0.027 0.000 2.539 359 H HA 0.082 4.637 4.556 -0.001 0.000 0.269 359 H C 0.537 175.857 175.328 -0.013 0.000 0.980 359 H CA 0.280 56.317 56.048 -0.018 0.000 1.152 359 H CB 0.250 30.000 29.762 -0.019 0.000 1.407 359 H HN 0.403 nan 8.280 nan 0.000 0.564 360 T N -1.592 113.002 114.554 0.067 0.000 2.934 360 T HA 0.315 4.664 4.350 -0.001 0.000 0.283 360 T C 0.561 175.275 174.700 0.023 0.000 1.005 360 T CA -0.915 61.214 62.100 0.049 0.000 1.041 360 T CB 1.694 70.590 68.868 0.046 0.000 1.042 360 T HN 0.313 nan 8.240 nan 0.000 0.505 361 R N -0.734 119.779 120.500 0.021 0.000 3.405 361 R HA -0.095 4.245 4.340 -0.001 0.000 0.258 361 R C -0.639 175.661 176.300 -0.000 0.000 1.030 361 R CA 0.178 56.282 56.100 0.007 0.000 0.691 361 R CB -2.629 27.676 30.300 0.008 0.000 1.093 361 R HN 0.509 nan 8.270 nan 0.000 0.448 362 V N 1.063 120.977 119.914 0.001 0.000 2.406 362 V HA 0.482 4.601 4.120 -0.001 0.000 0.272 362 V C 1.103 177.193 176.094 -0.007 0.000 1.043 362 V CA -0.056 62.241 62.300 -0.004 0.000 0.915 362 V CB 1.458 33.282 31.823 0.002 0.000 0.988 362 V HN 0.458 nan 8.190 nan 0.000 0.466 363 A N 5.018 127.834 122.820 -0.005 0.000 2.371 363 A HA 0.764 5.083 4.320 -0.001 0.000 0.257 363 A C 0.451 178.032 177.584 -0.005 0.000 1.089 363 A CA 0.278 52.313 52.037 -0.004 0.000 0.794 363 A CB 0.491 19.492 19.000 0.001 0.000 1.029 363 A HN 1.207 nan 8.150 nan 0.000 0.488 364 S N -0.163 115.534 115.700 -0.005 0.000 2.672 364 S HA 0.877 5.347 4.470 -0.001 0.000 0.271 364 S C -0.620 173.963 174.600 -0.029 0.000 1.171 364 S CA -0.158 58.033 58.200 -0.016 0.000 0.817 364 S CB 1.210 64.390 63.200 -0.033 0.000 1.150 364 S HN 2.319 nan 8.310 nan 0.000 0.478 365 A N 0.086 122.854 122.820 -0.087 0.000 2.515 365 A HA 0.839 5.159 4.320 -0.001 0.000 0.296 365 A C -1.411 176.015 177.584 -0.263 0.000 1.094 365 A CA -0.818 51.076 52.037 -0.239 0.000 0.718 365 A CB 1.742 20.457 19.000 -0.475 0.000 1.307 365 A HN 1.279 nan 8.150 nan 0.000 0.408 366 V N 1.052 120.748 119.914 -0.363 0.000 2.444 366 V HA 0.349 4.468 4.120 -0.001 0.000 0.294 366 V C -0.919 174.948 176.094 -0.377 0.000 1.022 366 V CA -0.082 62.056 62.300 -0.271 0.000 0.850 366 V CB 1.083 32.715 31.823 -0.318 0.000 0.992 366 V HN 0.751 nan 8.190 nan 0.000 0.426 367 F N 3.108 123.045 119.950 -0.021 0.000 2.833 367 F HA 0.191 4.718 4.527 -0.001 0.000 0.327 367 F C 1.530 177.291 175.800 -0.065 0.000 1.184 367 F CA -0.258 57.715 58.000 -0.045 0.000 1.328 367 F CB -0.171 38.805 39.000 -0.040 0.000 1.440 367 F HN 0.560 nan 8.300 nan 0.000 0.569 368 S N -0.168 115.526 115.700 -0.011 0.000 2.608 368 S HA 0.479 4.949 4.470 -0.001 0.000 0.261 368 S C -0.156 174.426 174.600 -0.030 0.000 1.314 368 S CA -0.633 57.544 58.200 -0.037 0.000 0.992 368 S CB 1.320 64.460 63.200 -0.100 0.000 0.935 368 S HN 0.277 nan 8.310 nan 0.000 0.564 369 I N 2.374 122.925 120.570 -0.031 0.000 2.405 369 I HA 0.352 4.522 4.170 -0.001 0.000 0.280 369 I C -2.373 173.727 176.117 -0.029 0.000 1.027 369 I CA -2.127 59.156 61.300 -0.029 0.000 1.161 369 I CB 1.490 39.476 38.000 -0.023 0.000 1.300 369 I HN 0.491 nan 8.210 nan 0.000 0.463 370 P HA 0.493 nan 4.420 nan 0.000 0.280 370 P C -2.734 174.497 177.300 -0.116 0.000 1.272 370 P CA -1.954 61.101 63.100 -0.075 0.000 0.819 370 P CB 0.354 31.998 31.700 -0.092 0.000 1.122 371 P HA 0.427 nan 4.420 nan 0.000 0.283 371 P C -0.644 176.497 177.300 -0.265 0.000 1.278 371 P CA -0.404 62.565 63.100 -0.218 0.000 0.834 371 P CB 1.172 32.712 31.700 -0.267 0.000 1.150 372 I N -0.222 120.161 120.570 -0.311 0.000 2.493 372 I HA 0.602 4.771 4.170 -0.001 0.000 0.298 372 I C 0.650 176.633 176.117 -0.224 0.000 0.998 372 I CA -0.463 60.684 61.300 -0.256 0.000 1.137 372 I CB 2.007 39.841 38.000 -0.276 0.000 1.310 372 I HN 0.370 nan 8.210 nan 0.000 0.445 373 G N 2.200 110.924 108.800 -0.127 0.000 2.617 373 G HA2 0.640 4.600 3.960 -0.001 0.000 0.306 373 G HA3 0.640 4.600 3.960 -0.001 0.000 0.306 373 G C -1.267 173.641 174.900 0.014 0.000 1.360 373 G CA -0.363 44.694 45.100 -0.071 0.000 0.983 373 G HN 0.498 nan 8.290 nan 0.000 0.496 374 T N -1.027 113.552 114.554 0.043 0.000 2.889 374 T HA 0.549 4.898 4.350 -0.001 0.000 0.315 374 T C -1.730 172.976 174.700 0.010 0.000 1.291 374 T CA -0.439 61.708 62.100 0.078 0.000 1.028 374 T CB 1.567 70.601 68.868 0.275 0.000 1.235 374 T HN 1.197 nan 8.240 nan 0.000 0.491 375 C N 3.137 122.396 119.300 -0.068 0.000 2.832 375 C HA 0.840 5.299 4.460 -0.001 0.000 0.383 375 C C 0.561 175.492 174.990 -0.099 0.000 1.046 375 C CA 1.142 60.124 59.018 -0.060 0.000 1.242 375 C CB -0.095 27.616 27.740 -0.049 0.000 1.693 375 C HN 1.766 nan 8.230 nan 0.000 0.497 376 G N 4.571 113.359 108.800 -0.021 0.000 2.500 376 G HA2 -0.033 3.926 3.960 -0.001 0.000 0.209 376 G HA3 -0.033 3.926 3.960 -0.001 0.000 0.209 376 G C -1.141 173.814 174.900 0.091 0.000 1.283 376 G CA -0.411 44.691 45.100 0.004 0.000 0.960 376 G HN 1.032 nan 8.290 nan 0.000 0.528 377 L N 1.220 122.502 121.223 0.098 0.000 2.371 377 L HA 0.527 4.866 4.340 -0.001 0.000 0.272 377 L C 1.534 178.540 176.870 0.226 0.000 1.124 377 L CA -0.685 54.229 54.840 0.123 0.000 0.816 377 L CB 0.920 43.039 42.059 0.100 0.000 1.129 377 L HN 0.710 nan 8.230 nan 0.000 0.448 378 I N -0.741 119.874 120.570 0.074 0.000 2.945 378 I HA 0.087 4.256 4.170 -0.001 0.000 0.292 378 I C 1.366 177.485 176.117 0.004 0.000 1.093 378 I CA -0.482 60.785 61.300 -0.054 0.000 1.336 378 I CB 0.667 38.557 38.000 -0.183 0.000 1.435 378 I HN 0.831 nan 8.210 nan 0.000 0.593 379 E N 2.936 123.134 120.200 -0.003 0.000 2.072 379 E HA -0.250 4.099 4.350 -0.001 0.000 0.191 379 E C 1.424 177.881 176.600 -0.238 0.000 0.985 379 E CA 1.386 57.770 56.400 -0.027 0.000 0.801 379 E CB -0.438 29.342 29.700 0.134 0.000 0.750 379 E HN 0.845 nan 8.360 nan 0.000 0.452 380 E N 1.698 121.767 120.200 -0.218 0.000 2.160 380 E HA -0.155 4.194 4.350 -0.001 0.000 0.195 380 E C 2.293 178.801 176.600 -0.155 0.000 0.991 380 E CA 1.342 57.587 56.400 -0.259 0.000 0.810 380 E CB -0.495 29.136 29.700 -0.115 0.000 0.742 380 E HN 0.294 nan 8.360 nan 0.000 0.466 381 V N 2.110 121.975 119.914 -0.080 0.000 2.323 381 V HA -0.168 3.951 4.120 -0.001 0.000 0.244 381 V C 2.759 178.865 176.094 0.019 0.000 1.041 381 V CA 1.722 64.006 62.300 -0.026 0.000 1.025 381 V CB -0.883 30.937 31.823 -0.006 0.000 0.656 381 V HN 0.422 nan 8.190 nan 0.000 0.451 382 A N 0.283 123.131 122.820 0.048 0.000 1.917 382 A HA -0.219 4.101 4.320 -0.001 0.000 0.219 382 A C 2.384 180.077 177.584 0.182 0.000 1.182 382 A CA 2.366 54.508 52.037 0.175 0.000 0.633 382 A CB -0.836 18.222 19.000 0.097 0.000 0.819 382 A HN 0.604 nan 8.150 nan 0.000 0.448 383 A N -0.670 122.124 122.820 -0.044 0.000 2.015 383 A HA -0.107 4.212 4.320 -0.001 0.000 0.219 383 A C 2.045 179.629 177.584 0.000 0.000 1.163 383 A CA 1.595 53.586 52.037 -0.078 0.000 0.646 383 A CB -0.325 18.402 19.000 -0.455 0.000 0.806 383 A HN 0.552 nan 8.150 nan 0.000 0.448 384 K N -0.577 119.811 120.400 -0.019 0.000 2.366 384 K HA -0.021 4.299 4.320 -0.001 0.000 0.198 384 K C 1.107 177.679 176.600 -0.046 0.000 1.044 384 K CA 1.113 57.387 56.287 -0.021 0.000 0.973 384 K CB 0.069 32.551 32.500 -0.030 0.000 0.767 384 K HN 0.597 nan 8.250 nan 0.000 0.475 385 E N -0.709 119.456 120.200 -0.058 0.000 2.476 385 E HA 0.109 4.458 4.350 -0.001 0.000 0.199 385 E C -0.647 175.602 176.600 -0.586 0.000 1.021 385 E CA 0.016 56.233 56.400 -0.305 0.000 0.907 385 E CB 0.488 29.956 29.700 -0.386 0.000 0.974 385 E HN 0.013 nan 8.360 nan 0.000 0.489 386 F N 0.323 120.289 119.950 0.027 0.000 2.561 386 F HA 0.204 4.730 4.527 -0.001 0.000 0.313 386 F C 1.187 177.027 175.800 0.065 0.000 1.126 386 F CA -0.877 57.152 58.000 0.049 0.000 0.918 386 F CB 1.723 40.760 39.000 0.062 0.000 1.199 386 F HN -0.235 nan 8.300 nan 0.000 0.444 387 E N 2.188 122.520 120.200 0.220 0.000 2.065 387 E HA -0.172 4.177 4.350 -0.001 0.000 0.201 387 E C -0.084 176.633 176.600 0.196 0.000 1.016 387 E CA 1.468 57.965 56.400 0.162 0.000 0.818 387 E CB 0.258 30.034 29.700 0.126 0.000 0.749 387 E HN 0.521 nan 8.360 nan 0.000 0.453 388 K N 0.404 120.947 120.400 0.238 0.000 2.450 388 K HA 0.384 4.704 4.320 -0.001 0.000 0.257 388 K C -1.216 175.555 176.600 0.285 0.000 0.953 388 K CA -0.416 56.018 56.287 0.246 0.000 0.844 388 K CB 2.626 35.263 32.500 0.229 0.000 1.103 388 K HN -0.160 nan 8.250 nan 0.000 0.429 389 V N 2.227 122.318 119.914 0.295 0.000 2.459 389 V HA 0.585 4.704 4.120 -0.001 0.000 0.295 389 V C -0.361 175.860 176.094 0.211 0.000 1.029 389 V CA -0.757 61.690 62.300 0.246 0.000 0.874 389 V CB 1.632 33.602 31.823 0.245 0.000 0.985 389 V HN 0.891 nan 8.190 nan 0.000 0.438 390 A N 4.468 127.339 122.820 0.084 0.000 2.340 390 A HA 0.905 5.224 4.320 -0.001 0.000 0.331 390 A C -0.944 176.418 177.584 -0.370 0.000 1.140 390 A CA -0.574 51.290 52.037 -0.288 0.000 0.801 390 A CB 1.712 20.513 19.000 -0.331 0.000 1.234 390 A HN 0.674 nan 8.150 nan 0.000 0.469 391 V N 2.147 121.613 119.914 -0.747 0.000 2.483 391 V HA 0.338 4.458 4.120 -0.001 0.000 0.297 391 V C -1.483 174.154 176.094 -0.761 0.000 1.027 391 V CA -0.323 61.594 62.300 -0.638 0.000 0.855 391 V CB 0.911 32.215 31.823 -0.866 0.000 0.995 391 V HN 0.765 nan 8.190 nan 0.000 0.424 392 Y N 4.919 125.059 120.300 -0.267 0.000 2.328 392 Y HA 0.724 5.274 4.550 -0.001 0.000 0.337 392 Y C 0.192 176.027 175.900 -0.109 0.000 1.008 392 Y CA -0.465 57.528 58.100 -0.179 0.000 1.129 392 Y CB 1.724 40.119 38.460 -0.107 0.000 1.185 392 Y HN 0.593 nan 8.280 nan 0.000 0.476 393 M N 3.164 122.791 119.600 0.045 0.000 2.386 393 M HA 0.598 5.077 4.480 -0.001 0.000 0.293 393 M C -1.486 174.895 176.300 0.135 0.000 1.120 393 M CA -0.333 55.020 55.300 0.089 0.000 0.909 393 M CB 1.809 34.458 32.600 0.082 0.000 1.661 393 M HN 0.565 nan 8.290 nan 0.000 0.452 394 S N 2.472 118.288 115.700 0.193 0.000 2.619 394 S HA 0.686 5.156 4.470 -0.001 0.000 0.280 394 S C -1.705 173.110 174.600 0.359 0.000 1.150 394 S CA -0.460 57.907 58.200 0.277 0.000 0.978 394 S CB 1.724 65.102 63.200 0.297 0.000 1.041 394 S HN 0.748 nan 8.310 nan 0.000 0.485 395 S N 4.764 120.672 115.700 0.348 0.000 2.736 395 S HA 0.798 5.267 4.470 -0.001 0.000 0.285 395 S C -1.393 173.367 174.600 0.267 0.000 1.163 395 S CA -0.659 57.666 58.200 0.208 0.000 1.025 395 S CB 0.083 63.345 63.200 0.103 0.000 1.030 395 S HN 0.759 nan 8.310 nan 0.000 0.486 396 F N 0.438 120.468 119.950 0.133 0.000 2.608 396 F HA 0.593 5.120 4.527 -0.001 0.000 0.309 396 F C -0.251 175.625 175.800 0.127 0.000 1.103 396 F CA -1.008 57.055 58.000 0.106 0.000 0.954 396 F CB 0.644 39.697 39.000 0.089 0.000 1.267 396 F HN 0.230 nan 8.300 nan 0.000 0.444 397 T N 4.938 119.536 114.554 0.073 0.000 2.761 397 T HA 0.253 4.603 4.350 -0.001 0.000 0.287 397 T C -2.292 172.535 174.700 0.211 0.000 0.931 397 T CA -0.585 61.551 62.100 0.059 0.000 1.164 397 T CB -0.017 68.893 68.868 0.070 0.000 0.876 397 T HN 0.372 nan 8.240 nan 0.000 0.534 398 P HA 0.070 nan 4.420 nan 0.000 0.269 398 P C 0.991 178.413 177.300 0.204 0.000 1.217 398 P CA -0.490 62.803 63.100 0.322 0.000 0.783 398 P CB 0.716 32.562 31.700 0.243 0.000 0.898 399 L N 2.721 124.039 121.223 0.158 0.000 2.141 399 L HA -0.146 4.193 4.340 -0.001 0.000 0.209 399 L C 2.527 179.450 176.870 0.088 0.000 1.094 399 L CA 1.717 56.621 54.840 0.106 0.000 0.763 399 L CB -0.898 41.209 42.059 0.079 0.000 0.908 399 L HN 0.386 nan 8.230 nan 0.000 0.437 400 M N -2.000 117.645 119.600 0.075 0.000 2.195 400 M HA -0.233 4.246 4.480 -0.001 0.000 0.260 400 M C 1.606 177.946 176.300 0.067 0.000 1.066 400 M CA 1.923 57.286 55.300 0.105 0.000 1.089 400 M CB -0.752 31.846 32.600 -0.004 0.000 1.377 400 M HN 0.174 nan 8.290 nan 0.000 0.411 401 H N 0.345 119.486 119.070 0.119 0.000 2.539 401 H HA 0.209 4.765 4.556 -0.001 0.000 0.267 401 H C 0.796 176.134 175.328 0.017 0.000 0.982 401 H CA 0.454 56.535 56.048 0.055 0.000 1.146 401 H CB -0.159 29.591 29.762 -0.020 0.000 1.382 401 H HN 0.576 nan 8.280 nan 0.000 0.577 402 N N 0.232 119.000 118.700 0.114 0.000 2.398 402 N HA 0.023 4.763 4.740 -0.001 0.000 0.188 402 N C 1.211 176.714 175.510 -0.011 0.000 1.122 402 N CA 0.261 53.343 53.050 0.053 0.000 0.866 402 N CB 0.705 39.222 38.487 0.051 0.000 0.970 402 N HN 0.335 nan 8.380 nan 0.000 0.462 403 I N -0.451 120.081 120.570 -0.062 0.000 4.032 403 I HA -0.050 4.120 4.170 -0.001 0.000 0.313 403 I C 2.019 177.996 176.117 -0.233 0.000 1.272 403 I CA 0.298 61.450 61.300 -0.247 0.000 1.307 403 I CB 0.253 37.922 38.000 -0.551 0.000 1.155 403 I HN -0.024 nan 8.210 nan 0.000 0.431 404 S N 0.153 115.853 115.700 0.001 0.000 2.428 404 S HA 0.112 4.582 4.470 -0.001 0.000 0.230 404 S C 1.888 176.569 174.600 0.135 0.000 1.014 404 S CA 0.958 59.275 58.200 0.195 0.000 0.957 404 S CB -0.007 63.445 63.200 0.420 0.000 0.784 404 S HN 0.543 nan 8.310 nan 0.000 0.499 405 G N 0.596 109.448 108.800 0.087 0.000 2.308 405 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.221 405 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.221 405 G C 0.566 175.508 174.900 0.070 0.000 1.032 405 G CA 0.062 45.208 45.100 0.077 0.000 0.623 405 G HN 0.739 nan 8.290 nan 0.000 0.506 406 S N 1.893 117.603 115.700 0.017 0.000 3.870 406 S HA 0.232 4.702 4.470 -0.001 0.000 0.198 406 S C 1.529 175.846 174.600 -0.471 0.000 1.336 406 S CA 0.639 58.636 58.200 -0.337 0.000 1.049 406 S CB 0.373 63.236 63.200 -0.562 0.000 1.412 406 S HN 0.545 nan 8.310 nan 0.000 0.448 407 K N 0.678 120.996 120.400 -0.137 0.000 2.209 407 K HA -0.170 4.149 4.320 -0.001 0.000 0.204 407 K C 1.572 178.121 176.600 -0.085 0.000 1.048 407 K CA 1.307 57.561 56.287 -0.055 0.000 0.940 407 K CB -0.254 32.272 32.500 0.043 0.000 0.729 407 K HN 0.817 nan 8.250 nan 0.000 0.451 408 Y N 0.258 120.536 120.300 -0.038 0.000 2.569 408 Y HA -0.051 4.499 4.550 -0.001 0.000 0.293 408 Y C 0.299 176.143 175.900 -0.092 0.000 1.144 408 Y CA 0.411 58.478 58.100 -0.055 0.000 1.321 408 Y CB -0.537 37.890 38.460 -0.055 0.000 0.982 408 Y HN -0.241 nan 8.280 nan 0.000 0.558 409 K N 2.541 122.615 120.400 -0.544 0.000 2.480 409 K HA 0.095 4.414 4.320 -0.001 0.000 0.241 409 K C -0.401 176.071 176.600 -0.213 0.000 1.261 409 K CA 0.021 56.037 56.287 -0.451 0.000 1.193 409 K CB -0.041 31.951 32.500 -0.847 0.000 1.598 409 K HN 0.279 nan 8.250 nan 0.000 0.278 410 K N 1.546 121.865 120.400 -0.136 0.000 2.412 410 K HA 0.035 4.354 4.320 -0.001 0.000 0.284 410 K C -0.251 176.229 176.600 -0.200 0.000 1.046 410 K CA -0.154 56.049 56.287 -0.140 0.000 0.999 410 K CB 0.293 32.741 32.500 -0.086 0.000 0.941 410 K HN 0.200 nan 8.250 nan 0.000 0.474 411 F N 3.909 123.577 119.950 -0.470 0.000 2.504 411 F HA 0.085 4.612 4.527 -0.001 0.000 0.369 411 F C -0.187 175.360 175.800 -0.422 0.000 1.082 411 F CA -0.257 57.443 58.000 -0.499 0.000 1.216 411 F CB 0.633 39.188 39.000 -0.742 0.000 1.108 411 F HN 0.099 nan 8.300 nan 0.000 0.554 412 V N 5.825 125.467 119.914 -0.453 0.000 2.409 412 V HA 0.691 4.811 4.120 -0.001 0.000 0.291 412 V C -0.314 175.759 176.094 -0.035 0.000 1.020 412 V CA -0.806 61.414 62.300 -0.133 0.000 0.848 412 V CB 1.211 32.962 31.823 -0.120 0.000 0.990 412 V HN 0.913 nan 8.190 nan 0.000 0.430 413 A N 5.260 128.218 122.820 0.231 0.000 2.304 413 A HA 0.822 5.141 4.320 -0.001 0.000 0.314 413 A C -0.427 177.250 177.584 0.156 0.000 1.187 413 A CA -0.700 51.478 52.037 0.235 0.000 0.810 413 A CB 0.855 20.075 19.000 0.366 0.000 1.183 413 A HN 0.791 nan 8.150 nan 0.000 0.487 414 K N 2.148 122.616 120.400 0.114 0.000 2.397 414 K HA 0.673 4.992 4.320 -0.001 0.000 0.253 414 K C -1.372 175.246 176.600 0.030 0.000 0.932 414 K CA -0.271 56.078 56.287 0.103 0.000 0.795 414 K CB 2.378 34.973 32.500 0.158 0.000 1.159 414 K HN 0.666 nan 8.250 nan 0.000 0.424 415 I N 2.838 123.418 120.570 0.017 0.000 2.406 415 I HA 0.315 4.485 4.170 -0.001 0.000 0.290 415 I C -0.673 175.480 176.117 0.062 0.000 0.999 415 I CA -1.233 60.027 61.300 -0.067 0.000 1.124 415 I CB 1.909 39.785 38.000 -0.207 0.000 1.289 415 I HN 0.176 nan 8.210 nan 0.000 0.441 416 V N 4.520 124.442 119.914 0.014 0.000 2.459 416 V HA 0.574 4.694 4.120 -0.001 0.000 0.295 416 V C 0.194 176.299 176.094 0.018 0.000 1.029 416 V CA -0.422 61.907 62.300 0.048 0.000 0.874 416 V CB 1.787 33.658 31.823 0.080 0.000 0.985 416 V HN 0.881 nan 8.190 nan 0.000 0.438 417 T N 0.304 114.892 114.554 0.057 0.000 2.907 417 T HA 0.445 4.794 4.350 -0.001 0.000 0.292 417 T C -0.401 174.273 174.700 -0.042 0.000 1.043 417 T CA -0.849 61.268 62.100 0.029 0.000 1.003 417 T CB 1.728 70.704 68.868 0.179 0.000 1.084 417 T HN 0.465 nan 8.240 nan 0.000 0.483 418 N N 0.512 119.102 118.700 -0.182 0.000 2.405 418 N HA 0.061 4.800 4.740 -0.001 0.000 0.260 418 N C 0.589 176.118 175.510 0.031 0.000 1.152 418 N CA 0.038 52.965 53.050 -0.205 0.000 0.948 418 N CB 0.450 38.680 38.487 -0.429 0.000 1.111 418 N HN 0.875 nan 8.380 nan 0.000 0.485 419 H N 2.108 121.210 119.070 0.054 0.000 2.524 419 H HA 0.118 4.673 4.556 -0.001 0.000 0.282 419 H C 1.349 176.739 175.328 0.104 0.000 1.016 419 H CA 1.348 57.470 56.048 0.124 0.000 1.270 419 H CB 0.501 30.388 29.762 0.208 0.000 1.394 419 H HN 0.525 nan 8.280 nan 0.000 0.568 420 S N -0.171 115.579 115.700 0.083 0.000 2.399 420 S HA -0.127 4.343 4.470 -0.001 0.000 0.231 420 S C 1.056 175.643 174.600 -0.023 0.000 1.022 420 S CA 1.535 59.759 58.200 0.039 0.000 0.983 420 S CB -0.008 63.250 63.200 0.098 0.000 0.803 420 S HN 0.860 nan 8.310 nan 0.000 0.480 421 D N -2.479 117.901 120.400 -0.034 0.000 2.497 421 D HA 0.228 4.868 4.640 -0.001 0.000 0.256 421 D C 0.992 177.262 176.300 -0.050 0.000 1.273 421 D CA 0.679 54.657 54.000 -0.037 0.000 0.812 421 D CB -0.497 40.299 40.800 -0.008 0.000 1.190 421 D HN 0.281 nan 8.370 nan 0.000 0.524 422 G N 0.453 109.222 108.800 -0.051 0.000 2.184 422 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.264 422 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.264 422 G C 0.500 175.383 174.900 -0.029 0.000 0.975 422 G CA 0.531 45.617 45.100 -0.022 0.000 0.642 422 G HN 0.463 nan 8.290 nan 0.000 0.536 423 T N 1.403 115.927 114.554 -0.049 0.000 2.800 423 T HA 0.307 4.657 4.350 -0.001 0.000 0.283 423 T C 0.938 175.597 174.700 -0.068 0.000 0.999 423 T CA 0.315 62.381 62.100 -0.057 0.000 1.176 423 T CB 1.498 70.321 68.868 -0.076 0.000 0.973 423 T HN 0.541 nan 8.240 nan 0.000 0.519 424 V N 6.520 126.413 119.914 -0.035 0.000 2.446 424 V HA 0.042 4.161 4.120 -0.001 0.000 0.276 424 V C 1.441 177.492 176.094 -0.072 0.000 1.030 424 V CA 0.232 62.498 62.300 -0.056 0.000 1.033 424 V CB 0.169 31.967 31.823 -0.042 0.000 0.993 424 V HN 0.830 nan 8.190 nan 0.000 0.477 425 L N 4.164 125.327 121.223 -0.099 0.000 2.307 425 L HA 0.418 4.757 4.340 -0.001 0.000 0.211 425 L C 1.075 177.912 176.870 -0.055 0.000 1.099 425 L CA 0.828 55.614 54.840 -0.091 0.000 0.816 425 L CB 0.034 42.011 42.059 -0.137 0.000 0.952 425 L HN 0.802 nan 8.230 nan 0.000 0.455 426 G N -0.748 107.994 108.800 -0.097 0.000 2.616 426 G HA2 0.504 4.463 3.960 -0.001 0.000 0.294 426 G HA3 0.504 4.463 3.960 -0.001 0.000 0.294 426 G C -1.942 172.721 174.900 -0.396 0.000 1.489 426 G CA -0.367 44.610 45.100 -0.205 0.000 0.836 426 G HN -0.288 nan 8.290 nan 0.000 0.527 427 V N 1.992 121.538 119.914 -0.613 0.000 2.709 427 V HA 0.668 4.787 4.120 -0.001 0.000 0.308 427 V C -1.114 174.552 176.094 -0.713 0.000 1.062 427 V CA -0.940 61.045 62.300 -0.525 0.000 0.901 427 V CB 2.037 33.679 31.823 -0.302 0.000 1.003 427 V HN 0.826 nan 8.190 nan 0.000 0.425 428 H N 5.123 124.186 119.070 -0.011 0.000 2.840 428 H HA 0.648 5.204 4.556 -0.001 0.000 0.340 428 H C -1.242 174.075 175.328 -0.018 0.000 1.004 428 H CA -0.464 55.585 56.048 0.002 0.000 1.288 428 H CB 2.102 31.876 29.762 0.021 0.000 1.607 428 H HN 0.437 nan 8.280 nan 0.000 0.522 429 L N 3.495 124.739 121.223 0.036 0.000 2.381 429 L HA 0.487 4.826 4.340 -0.001 0.000 0.268 429 L C -0.838 175.883 176.870 -0.249 0.000 0.997 429 L CA -1.003 53.777 54.840 -0.101 0.000 0.818 429 L CB 2.711 44.751 42.059 -0.031 0.000 1.310 429 L HN 0.253 nan 8.230 nan 0.000 0.416 430 L N 2.098 123.014 121.223 -0.513 0.000 2.409 430 L HA 1.019 5.358 4.340 -0.001 0.000 0.272 430 L C -0.293 175.990 176.870 -0.978 0.000 0.980 430 L CA 0.326 54.842 54.840 -0.541 0.000 0.826 430 L CB 1.913 43.765 42.059 -0.345 0.000 1.268 430 L HN 0.748 nan 8.230 nan 0.000 0.407 431 G N 2.548 110.969 108.800 -0.633 0.000 2.347 431 G HA2 0.079 4.039 3.960 -0.001 0.000 0.321 431 G HA3 0.079 4.039 3.960 -0.001 0.000 0.321 431 G C -1.843 173.051 174.900 -0.010 0.000 1.412 431 G CA -0.883 43.980 45.100 -0.394 0.000 0.990 431 G HN 0.638 nan 8.290 nan 0.000 0.637 432 D N 0.231 120.739 120.400 0.182 0.000 2.533 432 D HA 0.373 5.013 4.640 -0.001 0.000 0.236 432 D C 1.517 177.961 176.300 0.240 0.000 1.137 432 D CA 2.251 56.363 54.000 0.187 0.000 0.867 432 D CB 0.844 41.764 40.800 0.201 0.000 1.170 432 D HN 1.959 nan 8.370 nan 0.000 0.474 433 G N 1.710 110.600 108.800 0.150 0.000 2.176 433 G HA2 -0.354 3.606 3.960 -0.001 0.000 0.253 433 G HA3 -0.354 3.606 3.960 -0.001 0.000 0.253 433 G C 1.189 176.169 174.900 0.134 0.000 0.979 433 G CA 0.765 45.947 45.100 0.138 0.000 0.641 433 G HN 0.711 nan 8.290 nan 0.000 0.530 434 A N 0.958 123.842 122.820 0.106 0.000 1.908 434 A HA 0.189 4.509 4.320 -0.001 0.000 0.218 434 A C 0.616 178.194 177.584 -0.009 0.000 1.181 434 A CA 2.475 54.544 52.037 0.054 0.000 0.627 434 A CB -1.000 17.939 19.000 -0.101 0.000 0.818 434 A HN 0.460 nan 8.150 nan 0.000 0.445 435 P HA -0.122 nan 4.420 nan 0.000 0.218 435 P C 1.218 178.529 177.300 0.018 0.000 1.149 435 P CA 1.108 64.149 63.100 -0.097 0.000 0.817 435 P CB 0.033 31.610 31.700 -0.206 0.000 0.785 436 E N -0.682 119.551 120.200 0.056 0.000 2.076 436 E HA -0.024 4.325 4.350 -0.001 0.000 0.190 436 E C 2.138 178.775 176.600 0.062 0.000 0.979 436 E CA 0.744 57.184 56.400 0.067 0.000 0.807 436 E CB -0.663 29.080 29.700 0.073 0.000 0.761 436 E HN 0.316 nan 8.360 nan 0.000 0.454 437 I N 0.872 121.488 120.570 0.078 0.000 2.208 437 I HA -0.256 3.913 4.170 -0.001 0.000 0.245 437 I C 2.414 178.576 176.117 0.075 0.000 1.097 437 I CA 0.764 62.117 61.300 0.089 0.000 1.363 437 I CB -0.168 37.916 38.000 0.139 0.000 1.051 437 I HN 0.027 nan 8.210 nan 0.000 0.413 438 I N 0.620 121.224 120.570 0.057 0.000 2.830 438 I HA -0.244 3.925 4.170 -0.001 0.000 0.263 438 I C 2.364 178.503 176.117 0.038 0.000 1.230 438 I CA 1.173 62.498 61.300 0.042 0.000 1.480 438 I CB -0.321 37.687 38.000 0.013 0.000 1.095 438 I HN 0.200 nan 8.210 nan 0.000 0.455 439 Q N 1.218 121.040 119.800 0.036 0.000 2.030 439 Q HA -0.168 4.171 4.340 -0.001 0.000 0.204 439 Q C 2.138 178.154 176.000 0.028 0.000 0.986 439 Q CA 2.542 58.362 55.803 0.029 0.000 0.843 439 Q CB -0.517 28.239 28.738 0.030 0.000 0.904 439 Q HN 0.521 nan 8.270 nan 0.000 0.420 440 A N -0.788 122.051 122.820 0.032 0.000 2.119 440 A HA 0.037 4.357 4.320 -0.001 0.000 0.216 440 A C 2.149 179.756 177.584 0.038 0.000 1.152 440 A CA 0.897 52.947 52.037 0.021 0.000 0.708 440 A CB -0.319 18.688 19.000 0.010 0.000 0.805 440 A HN 0.264 nan 8.150 nan 0.000 0.460 441 V N -0.066 119.894 119.914 0.076 0.000 2.490 441 V HA -0.200 3.920 4.120 -0.001 0.000 0.250 441 V C 2.749 178.893 176.094 0.082 0.000 1.061 441 V CA 1.897 64.277 62.300 0.132 0.000 1.064 441 V CB -1.164 30.738 31.823 0.133 0.000 0.670 441 V HN 0.601 nan 8.190 nan 0.000 0.461 442 G N -0.141 108.683 108.800 0.040 0.000 2.418 442 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.217 442 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.217 442 G C 1.635 176.544 174.900 0.014 0.000 1.158 442 G CA 1.218 46.330 45.100 0.021 0.000 0.771 442 G HN 0.407 nan 8.290 nan 0.000 0.545 443 V N 0.736 120.655 119.914 0.007 0.000 2.295 443 V HA -0.227 3.892 4.120 -0.001 0.000 0.246 443 V C 3.065 179.150 176.094 -0.014 0.000 1.049 443 V CA 1.676 63.971 62.300 -0.008 0.000 1.024 443 V CB -0.998 30.815 31.823 -0.017 0.000 0.648 443 V HN 0.502 nan 8.190 nan 0.000 0.447 444 C N 0.003 119.295 119.300 -0.013 0.000 2.359 444 C HA -0.225 4.234 4.460 -0.001 0.000 0.277 444 C C 2.612 177.613 174.990 0.018 0.000 1.192 444 C CA 1.236 60.238 59.018 -0.027 0.000 1.759 444 C CB -1.325 26.410 27.740 -0.008 0.000 2.038 444 C HN 0.494 nan 8.230 nan 0.000 0.448 445 L N 0.617 121.873 121.223 0.055 0.000 2.127 445 L HA -0.100 4.240 4.340 -0.001 0.000 0.211 445 L C 2.589 179.468 176.870 0.015 0.000 1.089 445 L CA 1.610 56.474 54.840 0.041 0.000 0.757 445 L CB -0.917 41.161 42.059 0.031 0.000 0.899 445 L HN 0.335 nan 8.230 nan 0.000 0.434 446 R N -0.420 120.084 120.500 0.006 0.000 2.237 446 R HA -0.068 4.271 4.340 -0.001 0.000 0.219 446 R C 1.438 177.734 176.300 -0.007 0.000 1.080 446 R CA 0.829 56.927 56.100 -0.002 0.000 0.995 446 R CB -0.039 30.257 30.300 -0.007 0.000 0.875 446 R HN 0.336 nan 8.270 nan 0.000 0.462 447 L N 1.054 122.269 121.223 -0.013 0.000 2.741 447 L HA 0.155 4.494 4.340 -0.001 0.000 0.237 447 L C -0.264 176.594 176.870 -0.020 0.000 1.178 447 L CA -0.177 54.650 54.840 -0.023 0.000 0.973 447 L CB 0.157 42.191 42.059 -0.041 0.000 1.255 447 L HN 0.258 nan 8.230 nan 0.000 0.498 448 N N 0.280 118.976 118.700 -0.007 0.000 2.725 448 N HA -0.176 4.563 4.740 -0.001 0.000 0.249 448 N C 0.495 176.000 175.510 -0.009 0.000 1.103 448 N CA 0.816 53.863 53.050 -0.004 0.000 0.707 448 N CB -1.029 37.454 38.487 -0.006 0.000 1.043 448 N HN 0.401 nan 8.380 nan 0.000 0.553 449 A N 0.405 123.226 122.820 0.001 0.000 2.587 449 A HA 0.077 4.397 4.320 -0.001 0.000 0.233 449 A C 0.873 178.479 177.584 0.037 0.000 1.049 449 A CA 0.647 52.687 52.037 0.005 0.000 0.754 449 A CB 0.475 19.509 19.000 0.057 0.000 0.977 449 A HN 0.270 nan 8.150 nan 0.000 0.509 450 K N 1.347 121.745 120.400 -0.002 0.000 2.168 450 K HA 0.379 4.699 4.320 -0.001 0.000 0.239 450 K C 0.972 177.572 176.600 -0.000 0.000 0.999 450 K CA -0.801 55.473 56.287 -0.023 0.000 0.900 450 K CB 1.196 33.648 32.500 -0.080 0.000 1.111 450 K HN 0.549 nan 8.250 nan 0.000 0.452 451 I N 1.740 122.254 120.570 -0.093 0.000 2.226 451 I HA -0.327 3.843 4.170 -0.001 0.000 0.245 451 I C 2.256 178.110 176.117 -0.439 0.000 1.100 451 I CA 1.935 63.115 61.300 -0.201 0.000 1.374 451 I CB -0.301 37.491 38.000 -0.346 0.000 1.057 451 I HN 0.802 nan 8.210 nan 0.000 0.413 452 S N 0.107 115.393 115.700 -0.691 0.000 2.380 452 S HA -0.300 4.170 4.470 -0.001 0.000 0.229 452 S C 1.844 176.093 174.600 -0.584 0.000 1.043 452 S CA 1.754 59.297 58.200 -1.094 0.000 1.038 452 S CB -1.082 61.764 63.200 -0.590 0.000 0.872 452 S HN 0.558 nan 8.310 nan 0.000 0.456 453 D N 0.785 120.998 120.400 -0.313 0.000 2.149 453 D HA -0.043 4.597 4.640 -0.001 0.000 0.198 453 D C 1.602 177.740 176.300 -0.271 0.000 0.990 453 D CA 1.129 54.977 54.000 -0.253 0.000 0.839 453 D CB -0.428 40.226 40.800 -0.243 0.000 0.948 453 D HN 0.478 nan 8.370 nan 0.000 0.460 454 F N 0.805 120.627 119.950 -0.213 0.000 2.084 454 F HA -0.206 4.320 4.527 -0.001 0.000 0.296 454 F C 2.440 178.201 175.800 -0.066 0.000 1.111 454 F CA 1.077 58.998 58.000 -0.132 0.000 1.224 454 F CB -0.792 38.126 39.000 -0.137 0.000 0.991 454 F HN 0.058 nan 8.300 nan 0.000 0.471 455 Y N -0.815 119.534 120.300 0.083 0.000 2.373 455 Y HA -0.017 4.533 4.550 -0.001 0.000 0.293 455 Y C 1.729 177.626 175.900 -0.005 0.000 1.129 455 Y CA 0.655 58.766 58.100 0.018 0.000 1.226 455 Y CB -1.772 36.675 38.460 -0.022 0.000 1.000 455 Y HN -0.041 nan 8.280 nan 0.000 0.549 456 N N 0.158 118.931 118.700 0.122 0.000 2.459 456 N HA -0.056 4.683 4.740 -0.001 0.000 0.181 456 N C 0.041 175.565 175.510 0.024 0.000 1.046 456 N CA 1.071 54.169 53.050 0.079 0.000 0.904 456 N CB -0.440 38.048 38.487 0.001 0.000 0.964 456 N HN 0.323 nan 8.380 nan 0.000 0.444 457 T N 2.005 116.556 114.554 -0.005 0.000 2.870 457 T HA 0.216 4.565 4.350 -0.001 0.000 0.300 457 T C 0.880 175.584 174.700 0.007 0.000 0.989 457 T CA -0.221 61.863 62.100 -0.026 0.000 1.139 457 T CB 0.849 69.674 68.868 -0.072 0.000 0.920 457 T HN -0.002 nan 8.240 nan 0.000 0.537 458 I N 2.891 123.459 120.570 -0.003 0.000 2.533 458 I HA 0.217 4.386 4.170 -0.001 0.000 0.284 458 I C 1.471 177.592 176.117 0.007 0.000 1.109 458 I CA -0.313 60.989 61.300 0.002 0.000 1.412 458 I CB 0.405 38.403 38.000 -0.004 0.000 1.396 458 I HN 0.652 nan 8.210 nan 0.000 0.543 459 G N 5.706 114.514 108.800 0.013 0.000 2.491 459 G HA2 0.320 4.279 3.960 -0.001 0.000 0.238 459 G HA3 0.320 4.279 3.960 -0.001 0.000 0.238 459 G C -0.216 174.706 174.900 0.037 0.000 1.277 459 G CA -0.444 44.671 45.100 0.025 0.000 0.851 459 G HN 0.420 nan 8.290 nan 0.000 0.573 460 V N 2.633 122.571 119.914 0.041 0.000 2.406 460 V HA 0.269 4.388 4.120 -0.001 0.000 0.272 460 V C 0.011 176.153 176.094 0.079 0.000 1.043 460 V CA -0.454 61.873 62.300 0.046 0.000 0.915 460 V CB 0.698 32.532 31.823 0.019 0.000 0.988 460 V HN 0.867 nan 8.190 nan 0.000 0.466 461 H N 6.070 125.125 119.070 -0.025 0.000 2.538 461 H HA 0.727 5.282 4.556 -0.001 0.000 0.353 461 H C -2.628 172.685 175.328 -0.025 0.000 1.109 461 H CA -1.911 54.118 56.048 -0.031 0.000 1.192 461 H CB 2.113 31.856 29.762 -0.032 0.000 1.555 461 H HN 0.537 nan 8.280 nan 0.000 0.518 462 P HA 0.293 nan 4.420 nan 0.000 0.297 462 P C -1.164 176.015 177.300 -0.200 0.000 1.331 462 P CA -0.593 62.169 63.100 -0.564 0.000 0.803 462 P CB 1.322 32.673 31.700 -0.582 0.000 0.929 463 T N -1.945 112.548 114.554 -0.101 0.000 2.838 463 T HA 0.388 4.738 4.350 -0.001 0.000 0.292 463 T C 0.842 175.478 174.700 -0.107 0.000 1.113 463 T CA -0.553 61.498 62.100 -0.082 0.000 1.008 463 T CB 1.192 70.031 68.868 -0.048 0.000 1.259 463 T HN -0.021 nan 8.240 nan 0.000 0.520 464 S N 0.123 115.714 115.700 -0.181 0.000 2.395 464 S HA 0.110 4.580 4.470 -0.001 0.000 0.225 464 S C 2.460 176.902 174.600 -0.263 0.000 1.027 464 S CA 0.761 58.717 58.200 -0.407 0.000 0.965 464 S CB -0.809 61.802 63.200 -0.982 0.000 0.812 464 S HN 0.905 nan 8.310 nan 0.000 0.482 465 A N 2.345 125.101 122.820 -0.107 0.000 1.978 465 A HA -0.214 4.106 4.320 -0.001 0.000 0.220 465 A C 1.991 179.594 177.584 0.032 0.000 1.170 465 A CA 1.759 53.803 52.037 0.013 0.000 0.636 465 A CB -0.695 18.328 19.000 0.040 0.000 0.810 465 A HN 0.766 nan 8.150 nan 0.000 0.448 466 E N -0.356 119.846 120.200 0.004 0.000 2.333 466 E HA -0.234 4.116 4.350 -0.001 0.000 0.198 466 E C 1.533 178.142 176.600 0.014 0.000 1.007 466 E CA 1.282 57.695 56.400 0.021 0.000 0.845 466 E CB -0.248 29.468 29.700 0.026 0.000 0.766 466 E HN 0.530 nan 8.360 nan 0.000 0.507 467 E N 0.992 121.189 120.200 -0.005 0.000 2.265 467 E HA -0.091 4.258 4.350 -0.001 0.000 0.196 467 E C 1.756 178.392 176.600 0.060 0.000 0.996 467 E CA 0.787 57.191 56.400 0.006 0.000 0.832 467 E CB -0.127 29.611 29.700 0.063 0.000 0.756 467 E HN 0.422 nan 8.360 nan 0.000 0.491 468 L N -1.041 120.234 121.223 0.086 0.000 2.478 468 L HA -0.057 4.282 4.340 -0.001 0.000 0.223 468 L C 1.156 178.108 176.870 0.137 0.000 1.140 468 L CA 0.265 55.152 54.840 0.078 0.000 0.842 468 L CB 0.176 42.305 42.059 0.116 0.000 0.953 468 L HN 0.231 nan 8.230 nan 0.000 0.452 469 C N -1.799 117.582 119.300 0.134 0.000 3.000 469 C HA 0.210 4.670 4.460 -0.001 0.000 0.286 469 C C 1.871 176.921 174.990 0.100 0.000 1.343 469 C CA -0.237 58.872 59.018 0.151 0.000 1.742 469 C CB -0.411 27.399 27.740 0.118 0.000 2.200 469 C HN 0.282 nan 8.230 nan 0.000 0.621 470 S N 0.479 116.214 115.700 0.059 0.000 2.650 470 S HA 0.354 4.823 4.470 -0.001 0.000 0.240 470 S C 0.229 174.832 174.600 0.004 0.000 1.007 470 S CA 0.033 58.240 58.200 0.013 0.000 0.984 470 S CB 0.009 63.194 63.200 -0.025 0.000 0.910 470 S HN 0.531 nan 8.310 nan 0.000 0.509 471 M N 1.971 121.589 119.600 0.030 0.000 2.181 471 M HA 0.396 4.875 4.480 -0.001 0.000 0.323 471 M C 0.679 176.984 176.300 0.008 0.000 1.004 471 M CA -0.259 55.059 55.300 0.030 0.000 0.941 471 M CB 1.747 34.376 32.600 0.049 0.000 1.579 471 M HN 0.145 nan 8.290 nan 0.000 0.427 472 R N -0.202 120.283 120.500 -0.025 0.000 2.469 472 R HA 0.301 4.641 4.340 -0.001 0.000 0.250 472 R C -0.437 175.978 176.300 0.192 0.000 0.909 472 R CA -0.113 55.911 56.100 -0.126 0.000 1.050 472 R CB 0.460 30.359 30.300 -0.668 0.000 1.256 472 R HN 0.411 nan 8.270 nan 0.000 0.550 473 T N 3.257 117.953 114.554 0.236 0.000 2.792 473 T HA 0.420 4.769 4.350 -0.001 0.000 0.280 473 T C -2.719 172.014 174.700 0.055 0.000 0.990 473 T CA -1.746 60.462 62.100 0.181 0.000 0.960 473 T CB 2.213 71.120 68.868 0.065 0.000 0.939 473 T HN -0.091 nan 8.240 nan 0.000 0.439 474 P HA 0.179 nan 4.420 nan 0.000 0.266 474 P C 0.524 177.509 177.300 -0.525 0.000 1.195 474 P CA 0.019 62.577 63.100 -0.902 0.000 0.768 474 P CB 0.535 31.443 31.700 -1.320 0.000 0.838 475 S N 1.624 117.020 115.700 -0.506 0.000 2.383 475 S HA -0.028 4.441 4.470 -0.001 0.000 0.227 475 S C 0.418 174.907 174.600 -0.186 0.000 1.026 475 S CA 1.217 59.269 58.200 -0.247 0.000 0.981 475 S CB -0.627 62.497 63.200 -0.127 0.000 0.818 475 S HN 0.706 nan 8.310 nan 0.000 0.472 476 Y N -2.763 117.252 120.300 -0.476 0.000 2.818 476 Y HA 0.670 5.220 4.550 -0.001 0.000 0.341 476 Y C -1.483 174.022 175.900 -0.658 0.000 1.283 476 Y CA -2.137 55.711 58.100 -0.420 0.000 1.075 476 Y CB 0.536 38.853 38.460 -0.239 0.000 1.370 476 Y HN -0.061 nan 8.280 nan 0.000 0.448 477 Y N -1.028 119.257 120.300 -0.027 0.000 2.669 477 Y HA 0.697 5.246 4.550 -0.001 0.000 0.335 477 Y C -1.592 174.200 175.900 -0.181 0.000 1.116 477 Y CA -1.541 56.493 58.100 -0.110 0.000 1.081 477 Y CB 2.141 40.515 38.460 -0.144 0.000 1.297 477 Y HN 0.567 nan 8.280 nan 0.000 0.484 478 Y N 0.305 120.754 120.300 0.247 0.000 2.338 478 Y HA 0.611 5.160 4.550 -0.001 0.000 0.333 478 Y C -0.960 175.025 175.900 0.143 0.000 0.968 478 Y CA -1.099 57.105 58.100 0.173 0.000 1.123 478 Y CB 1.957 40.509 38.460 0.152 0.000 1.165 478 Y HN 0.193 nan 8.280 nan 0.000 0.452 479 V N 4.103 124.151 119.914 0.223 0.000 2.378 479 V HA 0.270 4.389 4.120 -0.001 0.000 0.288 479 V C -0.295 175.880 176.094 0.135 0.000 1.016 479 V CA -1.807 60.579 62.300 0.143 0.000 0.840 479 V CB 1.352 33.211 31.823 0.060 0.000 0.994 479 V HN 0.767 nan 8.190 nan 0.000 0.431 480 K N 4.009 124.486 120.400 0.128 0.000 3.311 480 K HA -0.249 4.070 4.320 -0.001 0.000 0.270 480 K C 1.148 177.819 176.600 0.117 0.000 0.927 480 K CA 0.748 57.097 56.287 0.103 0.000 0.706 480 K CB -1.364 31.177 32.500 0.070 0.000 1.418 480 K HN 1.541 nan 8.250 nan 0.000 0.459 481 G N -0.182 108.716 108.800 0.164 0.000 2.184 481 G HA2 -0.376 3.583 3.960 -0.001 0.000 0.264 481 G HA3 -0.376 3.583 3.960 -0.001 0.000 0.264 481 G C -0.160 174.902 174.900 0.270 0.000 0.975 481 G CA 0.531 45.735 45.100 0.174 0.000 0.642 481 G HN 0.554 nan 8.290 nan 0.000 0.536 482 E N 0.403 120.753 120.200 0.250 0.000 2.151 482 E HA 0.481 4.830 4.350 -0.001 0.000 0.275 482 E C 0.080 176.748 176.600 0.114 0.000 0.936 482 E CA -0.815 55.692 56.400 0.178 0.000 0.777 482 E CB 0.614 30.369 29.700 0.091 0.000 1.108 482 E HN 0.233 nan 8.360 nan 0.000 0.401 483 K N 5.397 125.793 120.400 -0.006 0.000 2.322 483 K HA 0.246 4.566 4.320 -0.001 0.000 0.283 483 K C -0.487 176.008 176.600 -0.176 0.000 1.042 483 K CA 0.013 56.101 56.287 -0.331 0.000 0.958 483 K CB 0.391 32.670 32.500 -0.368 0.000 0.984 483 K HN 0.528 nan 8.250 nan 0.000 0.473 484 M N 1.639 121.155 119.600 -0.140 0.000 2.365 484 M HA 0.190 4.669 4.480 -0.001 0.000 0.288 484 M C 0.103 176.443 176.300 0.065 0.000 1.152 484 M CA -0.779 54.499 55.300 -0.036 0.000 0.948 484 M CB 1.852 34.447 32.600 -0.009 0.000 1.729 484 M HN 0.629 nan 8.290 nan 0.000 0.487 485 E N 1.932 122.162 120.200 0.050 0.000 2.153 485 E HA -0.013 4.337 4.350 -0.001 0.000 0.194 485 E C -0.365 176.359 176.600 0.208 0.000 0.988 485 E CA 1.349 57.818 56.400 0.114 0.000 0.811 485 E CB 0.544 30.274 29.700 0.051 0.000 0.746 485 E HN 0.651 nan 8.360 nan 0.000 0.466 486 K N -0.113 120.367 120.400 0.132 0.000 2.435 486 K HA 0.403 4.723 4.320 -0.001 0.000 0.251 486 K C -1.126 175.376 176.600 -0.162 0.000 0.954 486 K CA -0.597 55.721 56.287 0.051 0.000 0.820 486 K CB 1.963 34.473 32.500 0.016 0.000 1.292 486 K HN -0.050 nan 8.250 nan 0.000 0.436 487 L N 4.666 125.626 121.223 -0.439 0.000 2.410 487 L HA 0.206 4.545 4.340 -0.001 0.000 0.273 487 L C -1.285 175.471 176.870 -0.190 0.000 1.144 487 L CA -1.490 53.089 54.840 -0.435 0.000 0.863 487 L CB -0.218 41.514 42.059 -0.544 0.000 1.140 487 L HN 0.591 nan 8.230 nan 0.000 0.463 488 P HA 0.000 nan 4.420 nan 0.000 0.216 488 P CA 0.000 63.060 63.100 -0.067 0.000 0.800 488 P CB 0.000 31.672 31.700 -0.047 0.000 0.726