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 3nbj_1_D DATA FIRST_RESID 18 DATA SEQUENCE PARPAHPLDP LSTAEIKAAT NTVKSYFAGK KISFNTVTLR EPARKAYIQW DATA SEQUENCE KEQGGPLPPR LAYYVILEAG KPGVKEGLVD LASLSVIETR ALETVQPILT DATA SEQUENCE VEDLCSTEEV IRNDPAVIEQ CVLSGIPANE MHKVYCDPWT IGYDERWGTG DATA SEQUENCE KRLQQALVYY RSDEDDSQYS HPLDFCPIVD TEEKKVIFID IPNRRRKVSK DATA SEQUENCE HKHANFYPKH MIEKVGAMRP EAPPINVTQP EGVSFKMTGN VMEWSNFKFH DATA SEQUENCE IGFNYREGIV LSDVSYNDHG NVRPIFHRIS LSEMIVPFGS PEFPHQRKHA DATA SEQUENCE LDIGEYGAGY MTNPLSLGCD cKGVIHYLDA HFSDRAGDPI TVKNAVcIHE DATA SEQUENCE EDDGLLFKHS DFRDNFATSL VTRATKLVVS QIFTAANXEY CLYWVFMQDG DATA SEQUENCE AIRLDIRLTG ILNTYILGDD EEAGPWGTRV YPNVNAHNHQ HLFSLRIDPR DATA SEQUENCE IDGDGNSAAA CDAKSSPYPL GSPENMYGNA FYSEKTTFKT VKDSLTNYES DATA SEQUENCE ATGRSWDIFN PNKVNPYSGK PPSYKLVSTQ CPPLLAKEGS LVAKRAPWAS DATA SEQUENCE HSVNVVPYKD NRLYPSGDHV PQWSGDGVRG MREWIGDGSE NIDNTDILFF DATA SEQUENCE HTFGITHFPA PEDFPLMPAE PITLMLRPRH FFTENPGLDI QPSYAMTTSE DATA SEQUENCE AKRAV 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 18 P HA 0.000 nan 4.420 nan 0.000 0.216 18 P C 0.000 177.300 177.300 -0.000 0.000 1.155 18 P CA 0.000 63.097 63.100 -0.004 0.000 0.800 18 P CB 0.000 31.696 31.700 -0.006 0.000 0.726 19 A N 2.030 124.849 122.820 -0.001 0.000 2.488 19 A HA 0.382 4.701 4.320 -0.002 0.000 0.249 19 A C 0.560 178.149 177.584 0.008 0.000 1.083 19 A CA -0.120 51.919 52.037 0.004 0.000 0.768 19 A CB -0.026 18.977 19.000 0.005 0.000 1.017 19 A HN 0.461 nan 8.150 nan 0.000 0.496 20 R N 2.535 123.041 120.500 0.009 0.000 2.590 20 R HA 0.274 4.612 4.340 -0.002 0.000 0.274 20 R C -1.870 174.441 176.300 0.019 0.000 1.061 20 R CA -0.871 55.234 56.100 0.007 0.000 1.081 20 R CB 0.102 30.402 30.300 -0.001 0.000 0.984 20 R HN 0.654 nan 8.270 nan 0.000 0.448 21 P HA 0.048 nan 4.420 nan 0.000 0.274 21 P C -0.370 176.970 177.300 0.067 0.000 1.256 21 P CA -0.215 62.917 63.100 0.054 0.000 0.795 21 P CB 0.932 32.673 31.700 0.069 0.000 1.038 22 A N 0.196 123.082 122.820 0.109 0.000 2.066 22 A HA -0.074 4.244 4.320 -0.002 0.000 0.218 22 A C 0.961 178.657 177.584 0.186 0.000 1.157 22 A CA 1.235 53.354 52.037 0.136 0.000 0.670 22 A CB -0.973 18.115 19.000 0.147 0.000 0.804 22 A HN 0.793 nan 8.150 nan 0.000 0.453 23 H N -2.456 116.665 119.070 0.086 0.000 2.771 23 H HA 0.418 4.973 4.556 -0.002 0.000 0.361 23 H C -2.427 172.858 175.328 -0.071 0.000 1.108 23 H CA -1.738 54.351 56.048 0.069 0.000 1.201 23 H CB 2.060 31.938 29.762 0.194 0.000 1.681 23 H HN -0.121 nan 8.280 nan 0.000 0.534 24 P HA -0.137 nan 4.420 nan 0.000 0.220 24 P C 0.685 177.984 177.300 -0.003 0.000 1.144 24 P CA 1.221 64.181 63.100 -0.233 0.000 0.800 24 P CB 0.297 31.668 31.700 -0.548 0.000 0.772 25 L N -2.075 119.255 121.223 0.178 0.000 2.607 25 L HA 0.141 4.480 4.340 -0.002 0.000 0.228 25 L C 0.294 177.093 176.870 -0.118 0.000 1.123 25 L CA -0.196 54.521 54.840 -0.206 0.000 0.890 25 L CB -0.379 41.239 42.059 -0.735 0.000 1.103 25 L HN -0.114 nan 8.230 nan 0.000 0.468 26 D N 1.522 122.000 120.400 0.130 0.000 2.443 26 D HA 0.130 4.768 4.640 -0.002 0.000 0.239 26 D C -2.034 174.372 176.300 0.177 0.000 1.136 26 D CA -1.005 53.154 54.000 0.264 0.000 0.879 26 D CB 0.659 41.599 40.800 0.234 0.000 1.195 26 D HN -0.065 nan 8.370 nan 0.000 0.443 27 P HA 0.074 nan 4.420 nan 0.000 0.271 27 P C -0.054 177.340 177.300 0.157 0.000 1.233 27 P CA -0.372 62.838 63.100 0.183 0.000 0.789 27 P CB 0.570 32.396 31.700 0.210 0.000 0.951 28 L N 0.640 121.955 121.223 0.154 0.000 2.490 28 L HA 0.080 4.419 4.340 -0.002 0.000 0.274 28 L C 1.188 178.120 176.870 0.103 0.000 1.201 28 L CA 0.046 54.955 54.840 0.116 0.000 0.869 28 L CB -0.055 42.074 42.059 0.116 0.000 1.123 28 L HN 0.504 nan 8.230 nan 0.000 0.484 29 S N 0.112 115.837 115.700 0.042 0.000 2.624 29 S HA 0.107 4.576 4.470 -0.002 0.000 0.263 29 S C 1.316 175.847 174.600 -0.114 0.000 1.287 29 S CA -0.180 57.994 58.200 -0.044 0.000 0.990 29 S CB 1.268 64.440 63.200 -0.047 0.000 0.950 29 S HN 0.774 nan 8.310 nan 0.000 0.561 30 T N -1.346 113.038 114.554 -0.283 0.000 2.803 30 T HA -0.110 4.238 4.350 -0.002 0.000 0.269 30 T C 1.910 176.540 174.700 -0.115 0.000 1.052 30 T CA 1.157 63.123 62.100 -0.222 0.000 1.136 30 T CB -1.035 67.657 68.868 -0.293 0.000 0.864 30 T HN 0.872 nan 8.240 nan 0.000 0.467 31 A N 1.898 124.658 122.820 -0.100 0.000 1.898 31 A HA -0.031 4.288 4.320 -0.002 0.000 0.216 31 A C 2.325 179.883 177.584 -0.044 0.000 1.181 31 A CA 1.429 53.429 52.037 -0.062 0.000 0.620 31 A CB -0.613 18.357 19.000 -0.050 0.000 0.819 31 A HN 0.643 nan 8.150 nan 0.000 0.442 32 E N -0.260 119.922 120.200 -0.031 0.000 2.110 32 E HA -0.138 4.211 4.350 -0.002 0.000 0.193 32 E C 1.853 178.445 176.600 -0.013 0.000 0.988 32 E CA 1.115 57.510 56.400 -0.009 0.000 0.804 32 E CB -0.283 29.425 29.700 0.013 0.000 0.745 32 E HN 0.692 nan 8.360 nan 0.000 0.458 33 I N 1.045 121.604 120.570 -0.019 0.000 2.179 33 I HA -0.275 3.894 4.170 -0.002 0.000 0.242 33 I C 2.476 178.539 176.117 -0.089 0.000 1.088 33 I CA 1.024 62.306 61.300 -0.032 0.000 1.357 33 I CB -0.136 37.858 38.000 -0.009 0.000 1.051 33 I HN -0.018 nan 8.210 nan 0.000 0.409 34 K N 1.520 121.869 120.400 -0.085 0.000 2.097 34 K HA -0.120 4.199 4.320 -0.002 0.000 0.206 34 K C 2.009 178.555 176.600 -0.089 0.000 1.049 34 K CA 1.729 57.955 56.287 -0.101 0.000 0.933 34 K CB -0.427 32.029 32.500 -0.073 0.000 0.717 34 K HN 0.296 nan 8.250 nan 0.000 0.442 35 A N 0.337 123.122 122.820 -0.058 0.000 1.902 35 A HA -0.030 4.289 4.320 -0.002 0.000 0.217 35 A C 2.351 179.910 177.584 -0.042 0.000 1.181 35 A CA 1.964 53.978 52.037 -0.039 0.000 0.623 35 A CB -0.979 18.009 19.000 -0.021 0.000 0.818 35 A HN 0.404 nan 8.150 nan 0.000 0.443 36 A N -0.219 122.572 122.820 -0.049 0.000 1.898 36 A HA -0.087 4.231 4.320 -0.002 0.000 0.216 36 A C 2.453 179.977 177.584 -0.100 0.000 1.181 36 A CA 2.494 54.506 52.037 -0.041 0.000 0.620 36 A CB -1.371 17.627 19.000 -0.003 0.000 0.819 36 A HN 0.749 nan 8.150 nan 0.000 0.442 37 T N -1.984 112.436 114.554 -0.223 0.000 2.867 37 T HA -0.127 4.222 4.350 -0.002 0.000 0.268 37 T C 1.653 176.284 174.700 -0.115 0.000 1.057 37 T CA 1.333 63.186 62.100 -0.413 0.000 1.136 37 T CB -0.523 67.803 68.868 -0.904 0.000 0.874 37 T HN 0.364 nan 8.240 nan 0.000 0.466 38 N N 1.449 120.102 118.700 -0.080 0.000 2.120 38 N HA -0.063 4.676 4.740 -0.002 0.000 0.188 38 N C 2.083 177.610 175.510 0.028 0.000 1.024 38 N CA 1.825 54.869 53.050 -0.009 0.000 0.852 38 N CB -0.966 37.511 38.487 -0.017 0.000 1.003 38 N HN 0.504 nan 8.380 nan 0.000 0.424 39 T N 0.996 115.555 114.554 0.008 0.000 2.708 39 T HA -0.055 4.293 4.350 -0.002 0.000 0.266 39 T C 2.176 176.900 174.700 0.040 0.000 1.037 39 T CA 0.956 63.066 62.100 0.017 0.000 1.146 39 T CB -0.363 68.501 68.868 -0.007 0.000 0.865 39 T HN -0.021 nan 8.240 nan 0.000 0.435 40 V N 1.437 121.372 119.914 0.034 0.000 2.358 40 V HA -0.164 3.955 4.120 -0.002 0.000 0.246 40 V C 2.466 178.727 176.094 0.277 0.000 1.047 40 V CA 1.540 63.886 62.300 0.077 0.000 1.035 40 V CB -0.501 31.317 31.823 -0.008 0.000 0.658 40 V HN 0.462 nan 8.190 nan 0.000 0.452 41 K N 0.127 120.700 120.400 0.289 0.000 2.063 41 K HA -0.168 4.151 4.320 -0.002 0.000 0.208 41 K C 2.411 179.113 176.600 0.170 0.000 1.048 41 K CA 1.839 58.277 56.287 0.251 0.000 0.928 41 K CB -0.337 32.289 32.500 0.210 0.000 0.713 41 K HN 0.388 nan 8.250 nan 0.000 0.442 42 S N 0.310 116.081 115.700 0.118 0.000 2.368 42 S HA -0.165 4.304 4.470 -0.002 0.000 0.224 42 S C 1.720 176.339 174.600 0.033 0.000 1.029 42 S CA 1.009 59.248 58.200 0.066 0.000 0.988 42 S CB -0.366 62.864 63.200 0.050 0.000 0.838 42 S HN 0.325 nan 8.310 nan 0.000 0.462 43 Y N 1.041 121.272 120.300 -0.116 0.000 2.224 43 Y HA -0.062 4.487 4.550 -0.002 0.000 0.289 43 Y C 0.708 176.348 175.900 -0.434 0.000 1.146 43 Y CA 1.179 59.092 58.100 -0.311 0.000 1.182 43 Y CB -0.136 38.041 38.460 -0.471 0.000 0.983 43 Y HN 0.194 nan 8.280 nan 0.000 0.524 44 F N 0.594 120.571 119.950 0.046 0.000 2.925 44 F HA 0.458 4.984 4.527 -0.002 0.000 0.302 44 F C 0.841 176.618 175.800 -0.038 0.000 1.189 44 F CA -0.497 57.487 58.000 -0.027 0.000 1.346 44 F CB -0.798 38.212 39.000 0.016 0.000 0.954 44 F HN -0.021 nan 8.300 nan 0.000 0.506 45 A N 0.181 123.027 122.820 0.044 0.000 2.567 45 A HA 0.384 4.703 4.320 -0.002 0.000 0.240 45 A C 1.579 179.181 177.584 0.031 0.000 1.053 45 A CA 0.984 53.042 52.037 0.034 0.000 0.755 45 A CB -0.550 18.445 19.000 -0.008 0.000 0.978 45 A HN 1.148 nan 8.150 nan 0.000 0.507 46 G N 1.551 110.372 108.800 0.035 0.000 2.199 46 G HA2 -0.197 3.762 3.960 -0.002 0.000 0.254 46 G HA3 -0.197 3.762 3.960 -0.002 0.000 0.254 46 G C 0.225 175.143 174.900 0.029 0.000 0.982 46 G CA 0.570 45.684 45.100 0.024 0.000 0.632 46 G HN 0.765 nan 8.290 nan 0.000 0.529 47 K N 0.446 120.877 120.400 0.051 0.000 2.138 47 K HA 0.451 4.770 4.320 -0.002 0.000 0.263 47 K C -0.013 176.586 176.600 -0.001 0.000 0.965 47 K CA -0.835 55.471 56.287 0.031 0.000 0.868 47 K CB 1.859 34.398 32.500 0.066 0.000 1.083 47 K HN 0.261 nan 8.250 nan 0.000 0.443 48 K N 4.447 124.830 120.400 -0.029 0.000 2.183 48 K HA 0.198 4.517 4.320 -0.002 0.000 0.272 48 K C -0.012 176.532 176.600 -0.093 0.000 1.113 48 K CA -0.248 56.014 56.287 -0.041 0.000 0.949 48 K CB -0.307 32.174 32.500 -0.032 0.000 1.365 48 K HN 0.606 nan 8.250 nan 0.000 0.420 49 I N 0.099 120.593 120.570 -0.127 0.000 2.750 49 I HA 0.573 4.742 4.170 -0.002 0.000 0.308 49 I C -0.620 175.354 176.117 -0.238 0.000 1.016 49 I CA -0.802 60.351 61.300 -0.246 0.000 1.098 49 I CB 2.178 39.937 38.000 -0.403 0.000 1.279 49 I HN 0.421 nan 8.210 nan 0.000 0.454 50 S N 2.775 118.295 115.700 -0.300 0.000 2.548 50 S HA 0.664 5.133 4.470 -0.002 0.000 0.286 50 S C -1.032 173.374 174.600 -0.325 0.000 1.098 50 S CA -0.660 57.425 58.200 -0.192 0.000 0.930 50 S CB 1.328 64.480 63.200 -0.080 0.000 1.070 50 S HN 0.496 nan 8.310 nan 0.000 0.480 51 F N 2.829 122.764 119.950 -0.026 0.000 2.404 51 F HA 0.462 4.988 4.527 -0.002 0.000 0.345 51 F C 1.753 177.545 175.800 -0.013 0.000 1.110 51 F CA -0.568 57.423 58.000 -0.015 0.000 1.130 51 F CB 1.218 40.218 39.000 -0.000 0.000 1.129 51 F HN 0.835 nan 8.300 nan 0.000 0.500 52 N N 0.977 119.745 118.700 0.114 0.000 2.499 52 N HA 0.025 4.764 4.740 -0.002 0.000 0.182 52 N C -0.359 175.215 175.510 0.106 0.000 1.034 52 N CA 0.708 53.803 53.050 0.075 0.000 0.882 52 N CB 0.635 39.142 38.487 0.032 0.000 1.125 52 N HN 0.550 nan 8.380 nan 0.000 0.436 53 T N 0.568 115.167 114.554 0.075 0.000 2.993 53 T HA 0.489 4.837 4.350 -0.002 0.000 0.312 53 T C -1.327 173.374 174.700 0.001 0.000 1.115 53 T CA -0.476 61.583 62.100 -0.068 0.000 1.027 53 T CB 2.683 71.376 68.868 -0.292 0.000 1.116 53 T HN -0.143 nan 8.240 nan 0.000 0.464 54 V N 2.618 122.533 119.914 0.002 0.000 2.509 54 V HA 0.722 4.840 4.120 -0.002 0.000 0.289 54 V C -0.202 175.942 176.094 0.084 0.000 1.026 54 V CA -0.458 61.890 62.300 0.080 0.000 0.872 54 V CB 1.580 33.445 31.823 0.070 0.000 1.017 54 V HN 1.002 nan 8.190 nan 0.000 0.436 55 T N 3.838 118.468 114.554 0.126 0.000 2.841 55 T HA 0.630 4.979 4.350 -0.002 0.000 0.296 55 T C -1.252 173.584 174.700 0.226 0.000 1.166 55 T CA -0.531 61.685 62.100 0.193 0.000 1.007 55 T CB 1.638 70.633 68.868 0.213 0.000 1.253 55 T HN 0.543 nan 8.240 nan 0.000 0.511 56 L N 3.047 124.393 121.223 0.206 0.000 2.499 56 L HA 0.572 4.911 4.340 -0.002 0.000 0.273 56 L C 0.197 177.157 176.870 0.151 0.000 1.195 56 L CA 0.082 55.018 54.840 0.160 0.000 0.882 56 L CB 0.389 42.526 42.059 0.131 0.000 1.133 56 L HN 0.583 nan 8.230 nan 0.000 0.483 57 R N 4.674 125.249 120.500 0.125 0.000 2.233 57 R HA 0.293 4.631 4.340 -0.002 0.000 0.334 57 R C -0.559 175.765 176.300 0.040 0.000 1.037 57 R CA -0.175 55.972 56.100 0.078 0.000 0.920 57 R CB -0.171 30.185 30.300 0.092 0.000 1.137 57 R HN 0.746 nan 8.270 nan 0.000 0.492 58 E N 5.527 125.737 120.200 0.016 0.000 2.437 58 E HA 0.037 4.386 4.350 -0.002 0.000 0.263 58 E C -1.837 174.769 176.600 0.009 0.000 1.030 58 E CA -1.204 55.194 56.400 -0.004 0.000 0.934 58 E CB 0.187 29.866 29.700 -0.034 0.000 0.943 58 E HN 0.558 nan 8.360 nan 0.000 0.444 59 P HA -0.002 nan 4.420 nan 0.000 0.269 59 P C -0.740 176.609 177.300 0.081 0.000 1.215 59 P CA -0.202 62.927 63.100 0.049 0.000 0.780 59 P CB 0.570 32.311 31.700 0.069 0.000 0.898 60 A N 2.509 125.376 122.820 0.079 0.000 2.555 60 A HA -0.055 4.264 4.320 -0.002 0.000 0.233 60 A C 1.853 179.506 177.584 0.114 0.000 1.060 60 A CA 0.085 52.177 52.037 0.093 0.000 0.759 60 A CB -0.367 18.676 19.000 0.072 0.000 0.995 60 A HN 0.693 nan 8.150 nan 0.000 0.506 61 R N 1.008 121.556 120.500 0.080 0.000 2.080 61 R HA -0.167 4.171 4.340 -0.002 0.000 0.236 61 R C 1.889 178.155 176.300 -0.056 0.000 1.137 61 R CA 2.250 58.289 56.100 -0.101 0.000 0.943 61 R CB -0.247 29.785 30.300 -0.447 0.000 0.846 61 R HN 0.841 nan 8.270 nan 0.000 0.431 62 K N -0.444 119.938 120.400 -0.030 0.000 2.057 62 K HA -0.101 4.218 4.320 -0.002 0.000 0.207 62 K C 2.054 178.684 176.600 0.050 0.000 1.049 62 K CA 1.344 57.627 56.287 -0.007 0.000 0.931 62 K CB -0.121 32.379 32.500 -0.001 0.000 0.714 62 K HN 0.257 nan 8.250 nan 0.000 0.440 63 A N 0.495 123.362 122.820 0.078 0.000 1.902 63 A HA -0.220 4.099 4.320 -0.002 0.000 0.217 63 A C 2.048 179.723 177.584 0.152 0.000 1.181 63 A CA 1.417 53.512 52.037 0.096 0.000 0.623 63 A CB -0.800 18.249 19.000 0.082 0.000 0.818 63 A HN 0.451 nan 8.150 nan 0.000 0.443 64 Y N 0.481 120.838 120.300 0.094 0.000 2.145 64 Y HA -0.176 4.373 4.550 -0.002 0.000 0.286 64 Y C 2.016 178.069 175.900 0.255 0.000 1.145 64 Y CA 1.860 60.069 58.100 0.183 0.000 1.148 64 Y CB -0.232 38.345 38.460 0.194 0.000 0.981 64 Y HN 0.268 nan 8.280 nan 0.000 0.507 65 I N 0.025 120.698 120.570 0.172 0.000 2.286 65 I HA -0.333 3.835 4.170 -0.002 0.000 0.248 65 I C 2.306 178.409 176.117 -0.023 0.000 1.115 65 I CA 1.519 62.856 61.300 0.061 0.000 1.392 65 I CB -0.486 37.544 38.000 0.050 0.000 1.065 65 I HN 0.349 nan 8.210 nan 0.000 0.418 66 Q N -0.395 119.412 119.800 0.013 0.000 2.084 66 Q HA -0.262 4.077 4.340 -0.002 0.000 0.202 66 Q C 2.020 178.010 176.000 -0.017 0.000 0.978 66 Q CA 2.010 57.812 55.803 -0.002 0.000 0.844 66 Q CB -0.286 28.468 28.738 0.026 0.000 0.898 66 Q HN 0.632 nan 8.270 nan 0.000 0.426 67 W N 1.668 122.864 121.300 -0.172 0.000 2.381 67 W HA -0.144 4.515 4.660 -0.002 0.000 0.301 67 W C 2.009 178.378 176.519 -0.250 0.000 1.205 67 W CA 1.126 58.350 57.345 -0.202 0.000 1.285 67 W CB 0.036 29.351 29.460 -0.241 0.000 1.133 67 W HN -0.160 nan 8.180 nan 0.000 0.521 68 K N 0.562 120.670 120.400 -0.488 0.000 2.155 68 K HA -0.122 4.197 4.320 -0.002 0.000 0.203 68 K C 1.026 177.357 176.600 -0.449 0.000 1.052 68 K CA 1.892 57.750 56.287 -0.715 0.000 0.948 68 K CB -0.053 32.172 32.500 -0.459 0.000 0.728 68 K HN 0.433 nan 8.250 nan 0.000 0.448 69 E N -1.268 118.769 120.200 -0.271 0.000 2.606 69 E HA 0.059 4.408 4.350 -0.002 0.000 0.224 69 E C 0.376 176.891 176.600 -0.143 0.000 0.930 69 E CA -0.060 56.233 56.400 -0.179 0.000 1.125 69 E CB 0.751 30.392 29.700 -0.099 0.000 1.123 69 E HN 0.192 nan 8.360 nan 0.000 0.522 70 Q N 0.277 119.994 119.800 -0.139 0.000 2.135 70 Q HA 0.235 4.574 4.340 -0.002 0.000 0.231 70 Q C 0.499 176.441 176.000 -0.097 0.000 0.817 70 Q CA 0.131 55.878 55.803 -0.094 0.000 1.073 70 Q CB 1.501 30.205 28.738 -0.057 0.000 1.176 70 Q HN 0.317 nan 8.270 nan 0.000 0.478 71 G N 0.882 109.590 108.800 -0.154 0.000 2.233 71 G HA2 -0.305 3.654 3.960 -0.002 0.000 0.270 71 G HA3 -0.305 3.654 3.960 -0.002 0.000 0.270 71 G C 0.490 175.351 174.900 -0.066 0.000 1.011 71 G CA 0.050 45.069 45.100 -0.135 0.000 0.762 71 G HN 0.522 nan 8.290 nan 0.000 0.511 72 G N 0.165 108.942 108.800 -0.039 0.000 2.667 72 G HA2 0.547 4.506 3.960 -0.002 0.000 0.250 72 G HA3 0.547 4.506 3.960 -0.002 0.000 0.250 72 G C -1.112 173.874 174.900 0.144 0.000 1.212 72 G CA -0.190 44.939 45.100 0.047 0.000 0.874 72 G HN 0.359 nan 8.290 nan 0.000 0.561 73 P HA 0.097 nan 4.420 nan 0.000 0.272 73 P C -0.286 177.130 177.300 0.192 0.000 1.223 73 P CA -0.624 62.565 63.100 0.149 0.000 0.784 73 P CB 1.073 32.817 31.700 0.073 0.000 0.923 74 L N 4.905 126.203 121.223 0.125 0.000 2.477 74 L HA 0.223 4.562 4.340 -0.002 0.000 0.272 74 L C -2.089 174.677 176.870 -0.173 0.000 1.157 74 L CA -1.444 53.287 54.840 -0.182 0.000 0.889 74 L CB -0.927 41.052 42.059 -0.134 0.000 1.158 74 L HN 0.289 nan 8.230 nan 0.000 0.473 75 P HA 0.140 nan 4.420 nan 0.000 0.267 75 P C -2.493 174.749 177.300 -0.097 0.000 1.200 75 P CA -0.683 62.346 63.100 -0.120 0.000 0.772 75 P CB -0.218 31.420 31.700 -0.104 0.000 0.855 76 P HA 0.138 nan 4.420 nan 0.000 0.268 76 P C -0.355 176.931 177.300 -0.023 0.000 1.204 76 P CA -0.013 63.072 63.100 -0.025 0.000 0.768 76 P CB 0.382 32.081 31.700 -0.002 0.000 0.842 77 R N 3.658 124.147 120.500 -0.018 0.000 2.248 77 R HA 0.326 4.665 4.340 -0.002 0.000 0.337 77 R C -0.860 175.454 176.300 0.023 0.000 1.085 77 R CA 0.208 56.306 56.100 -0.005 0.000 0.934 77 R CB -0.937 29.360 30.300 -0.006 0.000 1.034 77 R HN 0.442 nan 8.270 nan 0.000 0.465 78 L N 2.722 123.969 121.223 0.039 0.000 2.342 78 L HA 0.777 5.116 4.340 -0.002 0.000 0.271 78 L C -0.313 176.618 176.870 0.102 0.000 1.008 78 L CA -1.322 53.559 54.840 0.068 0.000 0.818 78 L CB 2.180 44.280 42.059 0.067 0.000 1.296 78 L HN 0.650 nan 8.230 nan 0.000 0.427 79 A N 1.823 124.724 122.820 0.135 0.000 2.330 79 A HA 0.549 4.867 4.320 -0.002 0.000 0.313 79 A C -1.550 176.188 177.584 0.256 0.000 1.124 79 A CA -0.381 51.763 52.037 0.178 0.000 0.774 79 A CB 0.919 20.008 19.000 0.148 0.000 1.198 79 A HN 0.587 nan 8.150 nan 0.000 0.465 80 Y N 3.502 123.872 120.300 0.118 0.000 2.323 80 Y HA 0.587 5.135 4.550 -0.002 0.000 0.331 80 Y C -0.783 175.200 175.900 0.137 0.000 1.092 80 Y CA -0.847 57.297 58.100 0.073 0.000 1.150 80 Y CB 0.746 39.232 38.460 0.044 0.000 1.200 80 Y HN 0.718 nan 8.280 nan 0.000 0.472 81 Y N 3.216 123.218 120.300 -0.497 0.000 2.545 81 Y HA 0.818 5.367 4.550 -0.002 0.000 0.348 81 Y C -2.082 173.487 175.900 -0.552 0.000 1.002 81 Y CA -1.816 56.058 58.100 -0.376 0.000 1.039 81 Y CB 1.125 39.582 38.460 -0.006 0.000 1.271 81 Y HN 0.359 nan 8.280 nan 0.000 0.467 82 V N 4.978 124.797 119.914 -0.158 0.000 2.577 82 V HA 0.576 4.695 4.120 -0.002 0.000 0.303 82 V C -0.283 175.803 176.094 -0.013 0.000 1.042 82 V CA -0.724 61.489 62.300 -0.145 0.000 0.872 82 V CB 1.400 33.170 31.823 -0.090 0.000 0.998 82 V HN 0.879 nan 8.190 nan 0.000 0.423 83 I N 2.523 123.046 120.570 -0.079 0.000 3.042 83 I HA 0.723 4.892 4.170 -0.002 0.000 0.310 83 I C -1.603 174.374 176.117 -0.234 0.000 1.117 83 I CA -0.993 60.163 61.300 -0.240 0.000 1.003 83 I CB 2.403 40.124 38.000 -0.466 0.000 1.228 83 I HN 0.249 nan 8.210 nan 0.000 0.443 84 L N 2.229 123.303 121.223 -0.249 0.000 2.342 84 L HA 0.576 4.915 4.340 -0.002 0.000 0.271 84 L C -0.497 176.238 176.870 -0.226 0.000 1.008 84 L CA -0.277 54.447 54.840 -0.193 0.000 0.818 84 L CB 1.766 43.747 42.059 -0.130 0.000 1.296 84 L HN 0.816 nan 8.230 nan 0.000 0.427 85 E N 1.118 121.207 120.200 -0.185 0.000 2.224 85 E HA 0.554 4.903 4.350 -0.002 0.000 0.265 85 E C -0.679 175.857 176.600 -0.106 0.000 0.878 85 E CA -0.739 55.559 56.400 -0.170 0.000 0.759 85 E CB 2.200 31.789 29.700 -0.186 0.000 1.164 85 E HN 0.736 nan 8.360 nan 0.000 0.414 86 A N 2.665 125.434 122.820 -0.085 0.000 2.567 86 A HA 0.348 4.667 4.320 -0.002 0.000 0.240 86 A C 1.241 178.798 177.584 -0.045 0.000 1.053 86 A CA 1.117 53.121 52.037 -0.056 0.000 0.755 86 A CB -0.500 18.474 19.000 -0.043 0.000 0.978 86 A HN 1.097 nan 8.150 nan 0.000 0.507 87 G N 1.572 110.351 108.800 -0.035 0.000 2.184 87 G HA2 -0.217 3.742 3.960 -0.002 0.000 0.264 87 G HA3 -0.217 3.742 3.960 -0.002 0.000 0.264 87 G C 0.218 175.103 174.900 -0.025 0.000 0.975 87 G CA 0.775 45.861 45.100 -0.025 0.000 0.642 87 G HN 0.758 nan 8.290 nan 0.000 0.536 88 K N 1.117 121.495 120.400 -0.038 0.000 2.221 88 K HA 0.512 4.830 4.320 -0.002 0.000 0.258 88 K C -2.243 174.335 176.600 -0.038 0.000 0.944 88 K CA -1.817 54.448 56.287 -0.037 0.000 0.823 88 K CB 2.411 34.878 32.500 -0.055 0.000 1.113 88 K HN 0.191 nan 8.250 nan 0.000 0.431 89 P HA 0.167 nan 4.420 nan 0.000 0.278 89 P C 0.550 177.829 177.300 -0.034 0.000 1.238 89 P CA 0.238 63.326 63.100 -0.019 0.000 0.794 89 P CB 0.845 32.545 31.700 -0.001 0.000 0.955 90 G N 1.185 109.964 108.800 -0.036 0.000 2.550 90 G HA2 -0.119 3.839 3.960 -0.002 0.000 0.277 90 G HA3 -0.119 3.839 3.960 -0.002 0.000 0.277 90 G C -0.207 174.632 174.900 -0.101 0.000 1.190 90 G CA 0.547 45.610 45.100 -0.062 0.000 0.971 90 G HN 0.930 nan 8.290 nan 0.000 0.559 91 V N -3.875 115.957 119.914 -0.137 0.000 3.165 91 V HA 0.957 5.075 4.120 -0.002 0.000 0.309 91 V C -0.505 175.504 176.094 -0.142 0.000 1.267 91 V CA -0.544 61.656 62.300 -0.167 0.000 1.067 91 V CB 1.956 33.633 31.823 -0.244 0.000 1.082 91 V HN 1.057 nan 8.190 nan 0.000 0.451 92 K N 0.869 121.182 120.400 -0.145 0.000 2.427 92 K HA 0.659 4.978 4.320 -0.002 0.000 0.252 92 K C -1.185 175.358 176.600 -0.095 0.000 0.931 92 K CA -0.498 55.739 56.287 -0.084 0.000 0.793 92 K CB 2.405 34.836 32.500 -0.116 0.000 1.211 92 K HN 1.021 nan 8.250 nan 0.000 0.426 93 E N 0.803 120.931 120.200 -0.120 0.000 2.416 93 E HA 0.821 5.170 4.350 -0.002 0.000 0.273 93 E C -0.399 175.879 176.600 -0.537 0.000 0.935 93 E CA -1.252 54.921 56.400 -0.380 0.000 0.784 93 E CB 2.271 31.895 29.700 -0.127 0.000 1.301 93 E HN 0.618 nan 8.360 nan 0.000 0.454 94 G N 0.151 108.296 108.800 -1.092 0.000 2.340 94 G HA2 0.423 4.382 3.960 -0.002 0.000 0.299 94 G HA3 0.423 4.382 3.960 -0.002 0.000 0.299 94 G C -1.833 172.799 174.900 -0.448 0.000 1.291 94 G CA -1.022 43.679 45.100 -0.665 0.000 0.841 94 G HN 0.405 nan 8.290 nan 0.000 0.500 95 L N -0.041 121.186 121.223 0.006 0.000 2.386 95 L HA 0.712 5.051 4.340 -0.002 0.000 0.271 95 L C -0.615 176.386 176.870 0.218 0.000 0.993 95 L CA -1.159 53.774 54.840 0.156 0.000 0.819 95 L CB 2.333 44.459 42.059 0.113 0.000 1.294 95 L HN 0.336 nan 8.230 nan 0.000 0.414 96 V N 1.014 121.060 119.914 0.220 0.000 2.448 96 V HA 0.183 4.302 4.120 -0.002 0.000 0.295 96 V C -0.645 175.500 176.094 0.085 0.000 1.025 96 V CA -0.496 61.884 62.300 0.133 0.000 0.859 96 V CB 1.963 33.858 31.823 0.119 0.000 0.988 96 V HN 0.704 nan 8.190 nan 0.000 0.431 97 D N 3.939 124.370 120.400 0.051 0.000 2.393 97 D HA 0.264 4.903 4.640 -0.002 0.000 0.232 97 D C 1.109 177.427 176.300 0.029 0.000 1.192 97 D CA -0.133 53.890 54.000 0.038 0.000 0.882 97 D CB 0.829 41.644 40.800 0.026 0.000 1.038 97 D HN 0.453 nan 8.370 nan 0.000 0.499 98 L N 3.275 124.517 121.223 0.031 0.000 2.127 98 L HA -0.180 4.159 4.340 -0.002 0.000 0.211 98 L C 2.384 179.262 176.870 0.013 0.000 1.089 98 L CA 1.230 56.083 54.840 0.022 0.000 0.757 98 L CB -0.452 41.621 42.059 0.023 0.000 0.899 98 L HN 0.534 nan 8.230 nan 0.000 0.434 99 A N 0.076 122.903 122.820 0.012 0.000 1.902 99 A HA -0.196 4.123 4.320 -0.002 0.000 0.217 99 A C 2.366 179.956 177.584 0.009 0.000 1.181 99 A CA 2.066 54.108 52.037 0.008 0.000 0.623 99 A CB -0.533 18.470 19.000 0.006 0.000 0.818 99 A HN 0.512 nan 8.150 nan 0.000 0.443 100 S N -1.228 114.479 115.700 0.011 0.000 2.577 100 S HA 0.405 4.874 4.470 -0.002 0.000 0.219 100 S C 0.492 175.099 174.600 0.012 0.000 0.962 100 S CA 0.123 58.330 58.200 0.012 0.000 0.921 100 S CB -0.559 62.649 63.200 0.013 0.000 0.789 100 S HN 0.588 nan 8.310 nan 0.000 0.497 101 L N 2.067 123.297 121.223 0.012 0.000 3.879 101 L HA -0.192 4.147 4.340 -0.002 0.000 0.481 101 L C 0.002 176.879 176.870 0.011 0.000 1.232 101 L CA 0.517 55.363 54.840 0.010 0.000 0.736 101 L CB -2.344 39.720 42.059 0.008 0.000 1.511 101 L HN 0.720 nan 8.230 nan 0.000 0.830 102 S N -2.341 113.364 115.700 0.009 0.000 2.556 102 S HA 0.716 5.185 4.470 -0.002 0.000 0.271 102 S C -0.408 174.177 174.600 -0.025 0.000 1.135 102 S CA -1.070 57.130 58.200 0.000 0.000 0.858 102 S CB 2.443 65.650 63.200 0.012 0.000 1.114 102 S HN -0.025 nan 8.310 nan 0.000 0.468 103 V N 3.169 123.023 119.914 -0.101 0.000 2.470 103 V HA 0.218 4.337 4.120 -0.002 0.000 0.276 103 V C 1.188 177.208 176.094 -0.124 0.000 1.040 103 V CA -0.093 62.096 62.300 -0.185 0.000 1.008 103 V CB 0.104 31.539 31.823 -0.647 0.000 0.990 103 V HN 0.906 nan 8.190 nan 0.000 0.477 104 I N 1.155 121.702 120.570 -0.038 0.000 4.057 104 I HA 0.522 4.691 4.170 -0.002 0.000 0.334 104 I C 0.582 176.697 176.117 -0.003 0.000 1.308 104 I CA 0.294 61.587 61.300 -0.012 0.000 1.125 104 I CB 0.488 38.497 38.000 0.014 0.000 1.034 104 I HN 0.621 nan 8.210 nan 0.000 0.401 105 E N 0.805 121.003 120.200 -0.004 0.000 2.335 105 E HA 0.474 4.823 4.350 -0.002 0.000 0.280 105 E C -1.348 175.257 176.600 0.009 0.000 0.918 105 E CA -0.478 55.929 56.400 0.012 0.000 0.765 105 E CB 2.428 32.145 29.700 0.028 0.000 1.218 105 E HN 0.102 nan 8.360 nan 0.000 0.425 106 T N 2.905 117.478 114.554 0.031 0.000 2.942 106 T HA 0.643 4.992 4.350 -0.002 0.000 0.327 106 T C -2.001 172.759 174.700 0.101 0.000 1.360 106 T CA -0.679 61.468 62.100 0.079 0.000 1.055 106 T CB 0.950 69.895 68.868 0.129 0.000 1.261 106 T HN 0.659 nan 8.240 nan 0.000 0.485 107 R N 1.820 122.382 120.500 0.102 0.000 2.634 107 R HA 0.798 5.137 4.340 -0.002 0.000 0.263 107 R C -1.671 174.674 176.300 0.075 0.000 1.060 107 R CA -1.143 55.011 56.100 0.091 0.000 0.898 107 R CB 0.999 31.337 30.300 0.063 0.000 1.253 107 R HN 0.714 nan 8.270 nan 0.000 0.461 108 A N 2.588 125.449 122.820 0.067 0.000 2.290 108 A HA 0.646 4.965 4.320 -0.002 0.000 0.310 108 A C -1.022 176.568 177.584 0.010 0.000 1.202 108 A CA -0.703 51.353 52.037 0.033 0.000 0.837 108 A CB 0.803 19.828 19.000 0.043 0.000 1.139 108 A HN 0.428 nan 8.150 nan 0.000 0.509 109 L N 2.856 124.063 121.223 -0.026 0.000 2.356 109 L HA 0.336 4.675 4.340 -0.002 0.000 0.264 109 L C 0.943 177.786 176.870 -0.045 0.000 1.029 109 L CA 0.348 55.169 54.840 -0.033 0.000 0.897 109 L CB 0.731 42.752 42.059 -0.064 0.000 1.256 109 L HN 0.906 nan 8.230 nan 0.000 0.444 110 E N 0.211 120.401 120.200 -0.016 0.000 2.358 110 E HA -0.065 4.284 4.350 -0.002 0.000 0.195 110 E C 0.612 177.214 176.600 0.003 0.000 1.010 110 E CA 1.093 57.486 56.400 -0.010 0.000 0.856 110 E CB 0.307 30.009 29.700 0.004 0.000 0.795 110 E HN 0.645 nan 8.360 nan 0.000 0.504 111 T N -1.535 113.027 114.554 0.013 0.000 3.269 111 T HA 0.398 4.747 4.350 -0.002 0.000 0.269 111 T C -0.144 174.588 174.700 0.053 0.000 0.993 111 T CA -0.457 61.668 62.100 0.042 0.000 0.909 111 T CB 0.337 69.239 68.868 0.057 0.000 1.115 111 T HN -0.124 nan 8.240 nan 0.000 0.543 112 V N 0.380 120.304 119.914 0.015 0.000 3.102 112 V HA 0.666 4.785 4.120 -0.002 0.000 0.312 112 V C -1.778 174.313 176.094 -0.004 0.000 1.135 112 V CA -0.802 61.512 62.300 0.023 0.000 1.022 112 V CB 2.466 34.279 31.823 -0.018 0.000 1.056 112 V HN 0.364 nan 8.190 nan 0.000 0.436 113 Q N 3.791 123.615 119.800 0.039 0.000 2.347 113 Q HA 0.549 4.887 4.340 -0.002 0.000 0.271 113 Q C -2.723 173.311 176.000 0.057 0.000 1.064 113 Q CA -1.862 53.958 55.803 0.028 0.000 0.800 113 Q CB 2.540 31.317 28.738 0.065 0.000 1.304 113 Q HN 0.544 nan 8.270 nan 0.000 0.438 114 P HA 0.294 nan 4.420 nan 0.000 0.281 114 P C 0.082 177.454 177.300 0.120 0.000 1.281 114 P CA -0.716 62.467 63.100 0.137 0.000 0.811 114 P CB 1.307 33.056 31.700 0.082 0.000 1.154 115 I N 0.228 120.893 120.570 0.158 0.000 2.880 115 I HA -0.086 4.083 4.170 -0.002 0.000 0.296 115 I C -0.042 176.150 176.117 0.125 0.000 1.220 115 I CA 0.059 61.431 61.300 0.120 0.000 1.435 115 I CB 0.069 38.195 38.000 0.209 0.000 1.339 115 I HN 0.134 nan 8.210 nan 0.000 0.583 116 L N 7.607 128.896 121.223 0.109 0.000 2.260 116 L HA 0.249 4.587 4.340 -0.002 0.000 0.289 116 L C 0.608 177.554 176.870 0.128 0.000 1.057 116 L CA -0.471 54.448 54.840 0.133 0.000 0.811 116 L CB 0.940 43.118 42.059 0.199 0.000 1.184 116 L HN 0.676 nan 8.230 nan 0.000 0.429 117 T N -0.813 113.736 114.554 -0.007 0.000 2.816 117 T HA 0.181 4.530 4.350 -0.002 0.000 0.282 117 T C 1.516 176.139 174.700 -0.128 0.000 0.993 117 T CA -0.353 61.616 62.100 -0.218 0.000 0.994 117 T CB 1.445 70.105 68.868 -0.348 0.000 1.025 117 T HN 0.366 nan 8.240 nan 0.000 0.529 118 V N -0.674 119.127 119.914 -0.187 0.000 2.392 118 V HA -0.132 3.986 4.120 -0.002 0.000 0.249 118 V C 2.277 178.345 176.094 -0.044 0.000 1.059 118 V CA 1.822 64.076 62.300 -0.077 0.000 1.051 118 V CB -1.303 30.488 31.823 -0.053 0.000 0.658 118 V HN 0.933 nan 8.190 nan 0.000 0.455 119 E N 0.305 120.467 120.200 -0.063 0.000 2.106 119 E HA -0.177 4.172 4.350 -0.002 0.000 0.192 119 E C 2.009 178.602 176.600 -0.012 0.000 0.984 119 E CA 1.377 57.761 56.400 -0.027 0.000 0.806 119 E CB -0.222 29.462 29.700 -0.027 0.000 0.750 119 E HN 0.657 nan 8.360 nan 0.000 0.458 120 D N 0.609 120.998 120.400 -0.017 0.000 2.144 120 D HA -0.119 4.520 4.640 -0.002 0.000 0.199 120 D C 2.003 178.319 176.300 0.027 0.000 0.984 120 D CA 0.902 54.906 54.000 0.007 0.000 0.834 120 D CB -0.014 40.796 40.800 0.016 0.000 0.955 120 D HN 0.182 nan 8.370 nan 0.000 0.465 121 L N -0.101 121.140 121.223 0.030 0.000 2.162 121 L HA -0.030 4.309 4.340 -0.002 0.000 0.205 121 L C 2.465 179.360 176.870 0.042 0.000 1.086 121 L CA 0.342 55.210 54.840 0.047 0.000 0.778 121 L CB -0.177 41.903 42.059 0.036 0.000 0.928 121 L HN 0.046 nan 8.230 nan 0.000 0.446 122 C N -0.032 119.285 119.300 0.028 0.000 2.419 122 C HA -0.115 4.344 4.460 -0.002 0.000 0.283 122 C C 3.014 178.023 174.990 0.031 0.000 1.373 122 C CA 1.289 60.326 59.018 0.032 0.000 1.781 122 C CB -0.989 26.766 27.740 0.025 0.000 1.886 122 C HN 0.668 nan 8.230 nan 0.000 0.520 123 S N -0.914 114.802 115.700 0.026 0.000 2.524 123 S HA -0.066 4.403 4.470 -0.002 0.000 0.216 123 S C 1.399 176.014 174.600 0.025 0.000 0.987 123 S CA 1.107 59.319 58.200 0.021 0.000 0.909 123 S CB -0.638 62.570 63.200 0.014 0.000 0.781 123 S HN 0.561 nan 8.310 nan 0.000 0.521 124 T N 2.560 117.137 114.554 0.037 0.000 2.720 124 T HA -0.110 4.239 4.350 -0.002 0.000 0.268 124 T C 1.628 176.355 174.700 0.044 0.000 1.037 124 T CA 1.739 63.866 62.100 0.045 0.000 1.144 124 T CB -0.365 68.543 68.868 0.067 0.000 0.864 124 T HN 0.661 nan 8.240 nan 0.000 0.444 125 E N 0.487 120.714 120.200 0.046 0.000 2.085 125 E HA -0.204 4.144 4.350 -0.002 0.000 0.194 125 E C 2.209 178.811 176.600 0.003 0.000 0.994 125 E CA 1.154 57.573 56.400 0.032 0.000 0.801 125 E CB 0.000 29.716 29.700 0.027 0.000 0.743 125 E HN 0.281 nan 8.360 nan 0.000 0.453 126 E N -0.211 119.989 120.200 -0.000 0.000 2.152 126 E HA -0.133 4.216 4.350 -0.002 0.000 0.192 126 E C 2.063 178.665 176.600 0.003 0.000 0.983 126 E CA 1.115 57.510 56.400 -0.007 0.000 0.818 126 E CB 0.016 29.712 29.700 -0.006 0.000 0.758 126 E HN 0.328 nan 8.360 nan 0.000 0.467 127 V N -0.001 119.919 119.914 0.011 0.000 2.427 127 V HA -0.188 3.931 4.120 -0.002 0.000 0.248 127 V C 2.215 178.321 176.094 0.020 0.000 1.051 127 V CA 1.704 64.012 62.300 0.013 0.000 1.048 127 V CB -0.942 30.888 31.823 0.012 0.000 0.666 127 V HN 0.426 nan 8.190 nan 0.000 0.456 128 I N -1.286 119.303 120.570 0.032 0.000 2.439 128 I HA -0.038 4.131 4.170 -0.002 0.000 0.251 128 I C 2.721 178.866 176.117 0.047 0.000 1.139 128 I CA 1.279 62.609 61.300 0.051 0.000 1.438 128 I CB -0.601 37.445 38.000 0.078 0.000 1.085 128 I HN 0.088 nan 8.210 nan 0.000 0.427 129 R N 1.114 121.630 120.500 0.027 0.000 2.120 129 R HA -0.128 4.211 4.340 -0.002 0.000 0.234 129 R C 1.607 177.918 176.300 0.019 0.000 1.123 129 R CA 1.741 57.853 56.100 0.020 0.000 0.975 129 R CB -0.440 29.854 30.300 -0.009 0.000 0.866 129 R HN 0.448 nan 8.270 nan 0.000 0.446 130 N N 0.686 119.393 118.700 0.013 0.000 2.280 130 N HA -0.061 4.678 4.740 -0.002 0.000 0.192 130 N C -0.930 174.583 175.510 0.005 0.000 1.109 130 N CA -0.007 53.048 53.050 0.008 0.000 0.855 130 N CB 0.314 38.803 38.487 0.004 0.000 0.974 130 N HN 0.028 nan 8.380 nan 0.000 0.482 131 D N -0.473 119.932 120.400 0.008 0.000 2.295 131 D HA 0.198 4.837 4.640 -0.002 0.000 0.248 131 D C -1.652 174.641 176.300 -0.012 0.000 1.154 131 D CA -2.184 51.816 54.000 -0.000 0.000 0.857 131 D CB 1.489 42.292 40.800 0.006 0.000 1.117 131 D HN 0.013 nan 8.370 nan 0.000 0.468 132 P HA -0.198 nan 4.420 nan 0.000 0.215 132 P C 0.909 178.175 177.300 -0.056 0.000 1.157 132 P CA 1.558 64.639 63.100 -0.032 0.000 0.874 132 P CB 0.126 31.809 31.700 -0.029 0.000 0.790 133 A N -0.819 121.962 122.820 -0.065 0.000 1.902 133 A HA -0.169 4.150 4.320 -0.002 0.000 0.217 133 A C 2.349 179.845 177.584 -0.147 0.000 1.181 133 A CA 1.895 53.869 52.037 -0.105 0.000 0.623 133 A CB -1.706 17.231 19.000 -0.105 0.000 0.818 133 A HN 0.041 nan 8.150 nan 0.000 0.443 134 V N 0.223 120.080 119.914 -0.096 0.000 2.307 134 V HA -0.249 3.869 4.120 -0.002 0.000 0.245 134 V C 2.419 178.449 176.094 -0.107 0.000 1.045 134 V CA 1.922 64.168 62.300 -0.091 0.000 1.024 134 V CB -0.673 31.185 31.823 0.059 0.000 0.651 134 V HN 0.578 nan 8.190 nan 0.000 0.449 135 I N 0.188 120.727 120.570 -0.051 0.000 2.208 135 I HA -0.316 3.853 4.170 -0.002 0.000 0.245 135 I C 2.600 178.670 176.117 -0.078 0.000 1.097 135 I CA 2.175 63.455 61.300 -0.034 0.000 1.363 135 I CB -0.408 37.582 38.000 -0.017 0.000 1.051 135 I HN 0.448 nan 8.210 nan 0.000 0.413 136 E N 0.604 120.737 120.200 -0.112 0.000 2.110 136 E HA -0.264 4.084 4.350 -0.002 0.000 0.193 136 E C 2.198 178.682 176.600 -0.193 0.000 0.988 136 E CA 1.116 57.440 56.400 -0.127 0.000 0.804 136 E CB 0.116 29.741 29.700 -0.124 0.000 0.745 136 E HN 0.417 nan 8.360 nan 0.000 0.458 137 Q N -0.052 119.545 119.800 -0.338 0.000 2.167 137 Q HA -0.119 4.219 4.340 -0.002 0.000 0.202 137 Q C 2.370 178.146 176.000 -0.375 0.000 0.970 137 Q CA 1.112 56.575 55.803 -0.567 0.000 0.855 137 Q CB -0.531 27.422 28.738 -1.308 0.000 0.911 137 Q HN 0.446 nan 8.270 nan 0.000 0.438 138 C N -0.313 118.879 119.300 -0.181 0.000 2.446 138 C HA -0.047 4.412 4.460 -0.002 0.000 0.277 138 C C 2.853 177.836 174.990 -0.011 0.000 1.275 138 C CA 0.320 59.361 59.018 0.039 0.000 1.727 138 C CB -0.915 26.884 27.740 0.098 0.000 2.010 138 C HN 0.245 nan 8.230 nan 0.000 0.486 139 V N 0.678 120.565 119.914 -0.044 0.000 2.295 139 V HA -0.201 3.918 4.120 -0.002 0.000 0.246 139 V C 2.399 178.464 176.094 -0.047 0.000 1.049 139 V CA 1.677 63.954 62.300 -0.039 0.000 1.024 139 V CB -0.691 31.107 31.823 -0.042 0.000 0.648 139 V HN 0.405 nan 8.190 nan 0.000 0.447 140 L N 0.156 121.337 121.223 -0.071 0.000 2.127 140 L HA -0.103 4.235 4.340 -0.002 0.000 0.211 140 L C 2.291 179.138 176.870 -0.037 0.000 1.089 140 L CA 1.812 56.614 54.840 -0.064 0.000 0.757 140 L CB -0.793 41.207 42.059 -0.098 0.000 0.899 140 L HN 0.288 nan 8.230 nan 0.000 0.434 141 S N -0.811 114.877 115.700 -0.019 0.000 2.593 141 S HA 0.298 4.767 4.470 -0.002 0.000 0.217 141 S C 1.358 175.942 174.600 -0.027 0.000 0.966 141 S CA 0.592 58.800 58.200 0.014 0.000 0.914 141 S CB -0.006 63.263 63.200 0.114 0.000 0.776 141 S HN 0.637 nan 8.310 nan 0.000 0.523 142 G N 1.398 110.174 108.800 -0.040 0.000 2.144 142 G HA2 -0.201 3.757 3.960 -0.002 0.000 0.218 142 G HA3 -0.201 3.757 3.960 -0.002 0.000 0.218 142 G C -0.084 174.764 174.900 -0.086 0.000 0.988 142 G CA -0.418 44.646 45.100 -0.060 0.000 0.659 142 G HN 0.494 nan 8.290 nan 0.000 0.522 143 I N 1.459 121.987 120.570 -0.071 0.000 2.382 143 I HA 0.319 4.487 4.170 -0.002 0.000 0.286 143 I C -2.216 173.897 176.117 -0.008 0.000 1.002 143 I CA -2.513 58.748 61.300 -0.065 0.000 1.135 143 I CB 2.062 40.024 38.000 -0.062 0.000 1.288 143 I HN -0.179 nan 8.210 nan 0.000 0.448 144 P HA -0.020 nan 4.420 nan 0.000 0.266 144 P C 0.555 177.875 177.300 0.033 0.000 1.195 144 P CA 0.105 63.217 63.100 0.021 0.000 0.768 144 P CB 0.893 32.613 31.700 0.033 0.000 0.838 145 A N 3.890 126.724 122.820 0.023 0.000 2.024 145 A HA -0.220 4.099 4.320 -0.002 0.000 0.220 145 A C 1.541 179.153 177.584 0.047 0.000 1.164 145 A CA 1.934 53.987 52.037 0.026 0.000 0.643 145 A CB -1.346 17.661 19.000 0.011 0.000 0.806 145 A HN 0.807 nan 8.150 nan 0.000 0.451 146 N N -1.359 117.375 118.700 0.057 0.000 2.383 146 N HA 0.031 4.770 4.740 -0.002 0.000 0.192 146 N C 0.443 176.042 175.510 0.148 0.000 1.141 146 N CA 0.346 53.445 53.050 0.082 0.000 0.851 146 N CB 0.069 38.594 38.487 0.064 0.000 0.976 146 N HN 0.542 nan 8.380 nan 0.000 0.465 147 E N -0.016 120.258 120.200 0.123 0.000 2.651 147 E HA 0.176 4.525 4.350 -0.002 0.000 0.208 147 E C 0.754 177.351 176.600 -0.005 0.000 0.997 147 E CA -0.326 56.131 56.400 0.094 0.000 1.020 147 E CB 0.340 30.087 29.700 0.077 0.000 1.052 147 E HN 0.338 nan 8.360 nan 0.000 0.465 148 M N 0.876 120.521 119.600 0.075 0.000 2.358 148 M HA -0.132 4.347 4.480 -0.002 0.000 0.264 148 M C 1.959 178.250 176.300 -0.014 0.000 1.064 148 M CA 1.373 56.700 55.300 0.045 0.000 1.093 148 M CB -0.985 31.650 32.600 0.057 0.000 1.401 148 M HN 0.371 nan 8.290 nan 0.000 0.440 149 H N -0.988 118.071 119.070 -0.019 0.000 2.561 149 H HA 0.018 4.572 4.556 -0.002 0.000 0.278 149 H C 1.048 176.311 175.328 -0.108 0.000 1.014 149 H CA 0.752 56.747 56.048 -0.088 0.000 1.211 149 H CB -0.427 29.302 29.762 -0.055 0.000 1.365 149 H HN 0.358 nan 8.280 nan 0.000 0.594 150 K N 0.893 121.000 120.400 -0.488 0.000 2.393 150 K HA 0.192 4.511 4.320 -0.002 0.000 0.193 150 K C 0.071 176.697 176.600 0.044 0.000 1.026 150 K CA -0.064 56.065 56.287 -0.264 0.000 1.064 150 K CB 1.072 33.373 32.500 -0.331 0.000 0.833 150 K HN 0.010 nan 8.250 nan 0.000 0.521 151 V N 2.172 122.099 119.914 0.022 0.000 2.432 151 V HA 0.177 4.296 4.120 -0.002 0.000 0.275 151 V C -0.618 175.472 176.094 -0.007 0.000 1.043 151 V CA -0.406 61.985 62.300 0.152 0.000 0.925 151 V CB 0.215 32.117 31.823 0.131 0.000 0.985 151 V HN 0.035 nan 8.190 nan 0.000 0.466 152 Y N 2.928 123.273 120.300 0.075 0.000 2.633 152 Y HA 0.787 5.336 4.550 -0.002 0.000 0.339 152 Y C 0.233 176.206 175.900 0.121 0.000 1.045 152 Y CA -0.998 57.146 58.100 0.072 0.000 1.098 152 Y CB 2.068 40.546 38.460 0.031 0.000 1.296 152 Y HN 0.852 nan 8.280 nan 0.000 0.494 153 C N -0.919 118.560 119.300 0.298 0.000 3.090 153 C HA 0.583 5.042 4.460 -0.002 0.000 0.347 153 C C -1.764 173.402 174.990 0.293 0.000 1.147 153 C CA -0.996 58.185 59.018 0.272 0.000 1.305 153 C CB 1.303 29.132 27.740 0.148 0.000 1.692 153 C HN 0.754 nan 8.230 nan 0.000 0.506 154 D N 4.765 125.394 120.400 0.382 0.000 2.313 154 D HA 0.446 5.085 4.640 -0.002 0.000 0.239 154 D C -2.211 174.355 176.300 0.442 0.000 1.142 154 D CA -1.023 53.224 54.000 0.412 0.000 0.847 154 D CB 1.831 42.985 40.800 0.590 0.000 1.082 154 D HN 0.573 nan 8.370 nan 0.000 0.480 155 P HA 0.160 nan 4.420 nan 0.000 0.282 155 P C -0.784 176.733 177.300 0.361 0.000 1.274 155 P CA -0.421 62.844 63.100 0.277 0.000 0.770 155 P CB 0.427 32.222 31.700 0.157 0.000 0.867 156 W N 1.882 123.249 121.300 0.113 0.000 2.719 156 W HA 0.339 4.998 4.660 -0.002 0.000 0.352 156 W C 0.610 177.244 176.519 0.192 0.000 1.085 156 W CA -0.204 57.256 57.345 0.192 0.000 1.187 156 W CB 1.000 30.539 29.460 0.131 0.000 1.417 156 W HN 0.245 nan 8.180 nan 0.000 0.557 157 T N -0.150 114.680 114.554 0.460 0.000 2.900 157 T HA 0.087 4.436 4.350 -0.002 0.000 0.307 157 T C 0.828 175.657 174.700 0.214 0.000 1.065 157 T CA -0.443 61.784 62.100 0.212 0.000 1.105 157 T CB 0.808 69.677 68.868 0.002 0.000 0.979 157 T HN 0.538 nan 8.240 nan 0.000 0.544 158 I N 1.355 121.997 120.570 0.122 0.000 3.176 158 I HA 0.133 4.302 4.170 -0.002 0.000 0.275 158 I C 1.718 177.870 176.117 0.059 0.000 1.298 158 I CA 1.228 62.578 61.300 0.082 0.000 1.445 158 I CB -1.041 36.985 38.000 0.043 0.000 1.075 158 I HN 1.173 nan 8.210 nan 0.000 0.482 159 G N 1.009 109.839 108.800 0.049 0.000 4.766 159 G HA2 -0.384 3.575 3.960 -0.002 0.000 0.314 159 G HA3 -0.384 3.575 3.960 -0.002 0.000 0.314 159 G C -0.049 174.955 174.900 0.174 0.000 1.427 159 G CA 0.565 45.646 45.100 -0.032 0.000 1.024 159 G HN 0.439 nan 8.290 nan 0.000 0.754 160 Y N 1.876 122.218 120.300 0.071 0.000 2.390 160 Y HA 0.571 5.119 4.550 -0.002 0.000 0.324 160 Y C -2.152 173.808 175.900 0.100 0.000 1.151 160 Y CA -0.627 57.534 58.100 0.101 0.000 1.053 160 Y CB 1.974 40.490 38.460 0.093 0.000 1.277 160 Y HN 0.473 nan 8.280 nan 0.000 0.432 161 D N 5.769 125.758 120.400 -0.686 0.000 2.542 161 D HA 0.124 4.763 4.640 -0.002 0.000 0.252 161 D C 0.639 176.501 176.300 -0.730 0.000 1.222 161 D CA -0.226 53.502 54.000 -0.453 0.000 0.895 161 D CB 1.411 42.224 40.800 0.022 0.000 1.207 161 D HN 0.848 nan 8.370 nan 0.000 0.558 162 E N 3.635 123.442 120.200 -0.654 0.000 2.396 162 E HA -0.197 4.152 4.350 -0.002 0.000 0.200 162 E C 0.798 177.187 176.600 -0.353 0.000 1.023 162 E CA 0.654 56.824 56.400 -0.384 0.000 0.857 162 E CB -0.032 29.612 29.700 -0.094 0.000 0.775 162 E HN 0.473 nan 8.360 nan 0.000 0.525 163 R N -0.877 119.312 120.500 -0.519 0.000 2.236 163 R HA 0.038 4.377 4.340 -0.002 0.000 0.208 163 R C 1.178 176.872 176.300 -1.009 0.000 1.036 163 R CA 1.115 56.679 56.100 -0.893 0.000 1.001 163 R CB 0.082 29.483 30.300 -1.499 0.000 0.896 163 R HN 0.339 nan 8.270 nan 0.000 0.464 164 W N -0.898 120.301 121.300 -0.169 0.000 2.520 164 W HA 0.301 4.960 4.660 -0.002 0.000 0.272 164 W C 0.995 177.473 176.519 -0.069 0.000 0.984 164 W CA 0.432 57.713 57.345 -0.106 0.000 1.314 164 W CB -0.085 29.318 29.460 -0.095 0.000 0.945 164 W HN 0.202 nan 8.180 nan 0.000 0.596 165 G N 2.179 111.014 108.800 0.057 0.000 2.634 165 G HA2 -0.433 3.526 3.960 -0.002 0.000 0.309 165 G HA3 -0.433 3.526 3.960 -0.002 0.000 0.309 165 G C 0.814 175.839 174.900 0.209 0.000 1.265 165 G CA 2.334 47.534 45.100 0.168 0.000 0.998 165 G HN 0.154 nan 8.290 nan 0.000 0.551 166 T N -1.646 113.031 114.554 0.205 0.000 3.092 166 T HA 0.481 4.830 4.350 -0.002 0.000 0.258 166 T C 2.170 176.941 174.700 0.118 0.000 1.031 166 T CA 1.046 63.244 62.100 0.164 0.000 0.925 166 T CB 0.627 69.592 68.868 0.162 0.000 1.036 166 T HN 1.609 nan 8.240 nan 0.000 0.544 167 G N 1.743 110.622 108.800 0.131 0.000 2.462 167 G HA2 -0.031 3.928 3.960 -0.002 0.000 0.220 167 G HA3 -0.031 3.928 3.960 -0.002 0.000 0.220 167 G C 0.466 175.416 174.900 0.083 0.000 1.121 167 G CA 0.296 45.462 45.100 0.109 0.000 0.758 167 G HN 0.505 nan 8.290 nan 0.000 0.559 168 K N -0.655 119.790 120.400 0.076 0.000 2.464 168 K HA 0.351 4.670 4.320 -0.002 0.000 0.253 168 K C -0.888 175.706 176.600 -0.009 0.000 0.933 168 K CA -0.904 55.387 56.287 0.007 0.000 0.801 168 K CB 2.443 34.906 32.500 -0.062 0.000 1.271 168 K HN -0.021 nan 8.250 nan 0.000 0.430 169 R N 3.022 123.509 120.500 -0.022 0.000 2.296 169 R HA 0.210 4.548 4.340 -0.002 0.000 0.323 169 R C -0.977 175.296 176.300 -0.045 0.000 1.067 169 R CA -0.286 55.806 56.100 -0.014 0.000 0.946 169 R CB 0.233 30.526 30.300 -0.011 0.000 0.991 169 R HN 0.277 nan 8.270 nan 0.000 0.448 170 L N 2.941 124.141 121.223 -0.039 0.000 2.323 170 L HA 0.491 4.830 4.340 -0.002 0.000 0.265 170 L C -0.379 176.486 176.870 -0.009 0.000 1.012 170 L CA -0.618 54.177 54.840 -0.075 0.000 0.820 170 L CB 2.086 44.052 42.059 -0.155 0.000 1.334 170 L HN 0.663 nan 8.230 nan 0.000 0.427 171 Q N 0.622 120.417 119.800 -0.008 0.000 2.421 171 Q HA 0.593 4.931 4.340 -0.002 0.000 0.280 171 Q C -1.473 174.556 176.000 0.047 0.000 1.085 171 Q CA -0.834 55.007 55.803 0.064 0.000 0.807 171 Q CB 3.314 32.104 28.738 0.087 0.000 1.405 171 Q HN 0.621 nan 8.270 nan 0.000 0.419 172 Q N -0.070 119.790 119.800 0.101 0.000 2.345 172 Q HA 0.858 5.197 4.340 -0.002 0.000 0.268 172 Q C -1.538 174.508 176.000 0.078 0.000 1.054 172 Q CA -1.075 54.759 55.803 0.051 0.000 0.835 172 Q CB 2.083 30.823 28.738 0.004 0.000 1.339 172 Q HN 0.521 nan 8.270 nan 0.000 0.447 173 A N 3.624 126.461 122.820 0.029 0.000 2.291 173 A HA 0.497 4.816 4.320 -0.002 0.000 0.311 173 A C -0.634 176.911 177.584 -0.065 0.000 1.224 173 A CA -0.845 51.216 52.037 0.040 0.000 0.821 173 A CB 0.675 19.712 19.000 0.061 0.000 1.172 173 A HN 0.780 nan 8.150 nan 0.000 0.494 174 L N 3.826 125.003 121.223 -0.077 0.000 2.283 174 L HA 0.258 4.597 4.340 -0.002 0.000 0.287 174 L C -0.375 176.391 176.870 -0.173 0.000 1.073 174 L CA -0.523 54.201 54.840 -0.194 0.000 0.822 174 L CB 0.840 42.798 42.059 -0.168 0.000 1.186 174 L HN 0.432 nan 8.230 nan 0.000 0.436 175 V N 4.296 123.971 119.914 -0.397 0.000 2.546 175 V HA 0.294 4.413 4.120 -0.002 0.000 0.284 175 V C -0.361 175.376 176.094 -0.595 0.000 1.050 175 V CA -0.234 61.844 62.300 -0.371 0.000 0.981 175 V CB 0.837 32.356 31.823 -0.506 0.000 0.990 175 V HN 0.428 nan 8.190 nan 0.000 0.474 176 Y N 2.757 123.064 120.300 0.010 0.000 2.665 176 Y HA 0.655 5.203 4.550 -0.002 0.000 0.336 176 Y C -0.782 175.239 175.900 0.201 0.000 1.085 176 Y CA -0.986 57.146 58.100 0.053 0.000 1.096 176 Y CB 2.003 40.419 38.460 -0.072 0.000 1.301 176 Y HN 0.584 nan 8.280 nan 0.000 0.493 177 Y N 0.980 121.441 120.300 0.268 0.000 2.457 177 Y HA 0.662 5.211 4.550 -0.002 0.000 0.343 177 Y C -1.306 174.737 175.900 0.237 0.000 0.994 177 Y CA -1.307 56.933 58.100 0.234 0.000 1.031 177 Y CB 1.417 39.994 38.460 0.195 0.000 1.246 177 Y HN 0.544 nan 8.280 nan 0.000 0.449 178 R N 3.376 123.521 120.500 -0.592 0.000 2.439 178 R HA 0.288 4.627 4.340 -0.002 0.000 0.310 178 R C 0.570 176.222 176.300 -1.080 0.000 0.955 178 R CA -0.032 55.611 56.100 -0.762 0.000 0.853 178 R CB 1.772 31.674 30.300 -0.664 0.000 1.171 178 R HN 0.904 nan 8.270 nan 0.000 0.449 179 S N 0.521 115.591 115.700 -1.050 0.000 2.428 179 S HA -0.089 4.379 4.470 -0.002 0.000 0.230 179 S C 0.463 174.825 174.600 -0.396 0.000 1.014 179 S CA 0.685 58.544 58.200 -0.570 0.000 0.957 179 S CB 0.025 63.081 63.200 -0.239 0.000 0.784 179 S HN 0.662 nan 8.310 nan 0.000 0.499 180 D N 0.166 120.286 120.400 -0.467 0.000 2.857 180 D HA 0.231 4.870 4.640 -0.002 0.000 0.227 180 D C 0.690 176.808 176.300 -0.303 0.000 1.192 180 D CA -0.549 53.281 54.000 -0.282 0.000 0.857 180 D CB 1.565 42.235 40.800 -0.217 0.000 1.645 180 D HN 0.164 nan 8.370 nan 0.000 0.482 181 E N 1.473 121.570 120.200 -0.173 0.000 2.267 181 E HA -0.218 4.131 4.350 -0.002 0.000 0.197 181 E C 0.086 176.550 176.600 -0.226 0.000 0.998 181 E CA 1.044 57.353 56.400 -0.151 0.000 0.830 181 E CB 0.035 29.719 29.700 -0.026 0.000 0.751 181 E HN 0.371 nan 8.360 nan 0.000 0.491 182 D N 1.118 121.383 120.400 -0.224 0.000 2.339 182 D HA 0.036 4.675 4.640 -0.002 0.000 0.217 182 D C -0.195 175.948 176.300 -0.262 0.000 1.050 182 D CA 0.184 54.041 54.000 -0.239 0.000 0.856 182 D CB -0.047 40.628 40.800 -0.209 0.000 0.922 182 D HN 0.160 nan 8.370 nan 0.000 0.518 183 D N 0.173 120.353 120.400 -0.367 0.000 2.361 183 D HA 0.004 4.642 4.640 -0.002 0.000 0.239 183 D C 0.168 176.231 176.300 -0.394 0.000 1.200 183 D CA 0.308 54.022 54.000 -0.477 0.000 0.915 183 D CB 0.861 41.224 40.800 -0.728 0.000 1.170 183 D HN -0.204 nan 8.370 nan 0.000 0.444 184 S N 0.116 115.613 115.700 -0.338 0.000 2.410 184 S HA 0.047 4.515 4.470 -0.002 0.000 0.304 184 S C 1.196 175.746 174.600 -0.084 0.000 1.095 184 S CA -0.681 57.412 58.200 -0.179 0.000 1.089 184 S CB 0.496 63.624 63.200 -0.121 0.000 0.968 184 S HN 0.362 nan 8.310 nan 0.000 0.480 185 Q N 4.134 123.768 119.800 -0.277 0.000 2.291 185 Q HA -0.166 4.173 4.340 -0.002 0.000 0.206 185 Q C 0.402 176.286 176.000 -0.193 0.000 0.976 185 Q CA 1.578 57.226 55.803 -0.259 0.000 0.875 185 Q CB -0.592 27.838 28.738 -0.513 0.000 0.927 185 Q HN 0.885 nan 8.270 nan 0.000 0.450 186 Y N 2.123 122.412 120.300 -0.019 0.000 2.569 186 Y HA -0.118 4.431 4.550 -0.002 0.000 0.293 186 Y C 2.513 178.635 175.900 0.370 0.000 1.144 186 Y CA 1.213 59.363 58.100 0.083 0.000 1.321 186 Y CB -0.105 38.395 38.460 0.067 0.000 0.982 186 Y HN 0.366 nan 8.280 nan 0.000 0.558 187 S N -1.883 114.081 115.700 0.441 0.000 2.558 187 S HA -0.013 4.456 4.470 -0.002 0.000 0.217 187 S C 0.134 174.808 174.600 0.123 0.000 0.975 187 S CA 0.223 58.646 58.200 0.372 0.000 0.912 187 S CB -0.350 62.976 63.200 0.210 0.000 0.776 187 S HN 0.440 nan 8.310 nan 0.000 0.526 188 H N 2.257 121.398 119.070 0.117 0.000 2.336 188 H HA 0.462 5.017 4.556 -0.002 0.000 0.230 188 H C -2.809 172.624 175.328 0.176 0.000 1.426 188 H CA -1.802 54.308 56.048 0.103 0.000 1.359 188 H CB 0.767 30.564 29.762 0.058 0.000 1.555 188 H HN 0.356 nan 8.280 nan 0.000 0.512 189 P HA 0.131 nan 4.420 nan 0.000 0.279 189 P C -0.111 177.033 177.300 -0.260 0.000 1.252 189 P CA -0.352 62.617 63.100 -0.218 0.000 0.811 189 P CB 2.056 33.586 31.700 -0.284 0.000 1.035 190 L N 1.283 122.278 121.223 -0.380 0.000 2.376 190 L HA 0.273 4.612 4.340 -0.002 0.000 0.267 190 L C 1.634 178.295 176.870 -0.348 0.000 1.035 190 L CA -0.490 54.161 54.840 -0.316 0.000 0.800 190 L CB 0.782 42.602 42.059 -0.399 0.000 1.290 190 L HN 0.374 nan 8.230 nan 0.000 0.462 191 D N -0.767 119.543 120.400 -0.151 0.000 2.349 191 D HA -0.023 4.615 4.640 -0.002 0.000 0.215 191 D C 0.079 176.516 176.300 0.229 0.000 1.016 191 D CA 0.188 54.203 54.000 0.025 0.000 0.870 191 D CB -0.076 40.775 40.800 0.084 0.000 0.917 191 D HN 0.220 nan 8.370 nan 0.000 0.524 192 F N -0.675 119.322 119.950 0.079 0.000 2.497 192 F HA 0.620 5.146 4.527 -0.002 0.000 0.331 192 F C -0.543 175.280 175.800 0.038 0.000 1.060 192 F CA -2.275 55.764 58.000 0.065 0.000 0.989 192 F CB 1.117 40.132 39.000 0.024 0.000 1.245 192 F HN -0.129 nan 8.300 nan 0.000 0.486 193 C N 3.779 123.179 119.300 0.168 0.000 2.455 193 C HA 0.620 5.079 4.460 -0.002 0.000 0.321 193 C C -2.833 172.247 174.990 0.150 0.000 1.102 193 C CA -2.051 56.993 59.018 0.045 0.000 1.413 193 C CB 0.223 27.936 27.740 -0.044 0.000 1.952 193 C HN 0.665 nan 8.230 nan 0.000 0.428 194 P HA 0.319 nan 4.420 nan 0.000 0.275 194 P C -0.663 176.690 177.300 0.089 0.000 1.227 194 P CA -0.086 63.104 63.100 0.151 0.000 0.781 194 P CB 0.470 32.262 31.700 0.154 0.000 0.906 195 I N 3.638 124.258 120.570 0.083 0.000 2.339 195 I HA 0.256 4.425 4.170 -0.002 0.000 0.290 195 I C -0.113 175.962 176.117 -0.069 0.000 0.994 195 I CA -0.625 60.664 61.300 -0.017 0.000 1.191 195 I CB 1.283 39.231 38.000 -0.086 0.000 1.343 195 I HN 0.037 nan 8.210 nan 0.000 0.458 196 V N 5.276 125.145 119.914 -0.074 0.000 2.459 196 V HA 0.266 4.384 4.120 -0.002 0.000 0.295 196 V C 0.107 176.138 176.094 -0.105 0.000 1.029 196 V CA -0.811 61.450 62.300 -0.066 0.000 0.874 196 V CB 2.200 34.017 31.823 -0.011 0.000 0.985 196 V HN 0.619 nan 8.190 nan 0.000 0.438 197 D N 3.272 123.607 120.400 -0.109 0.000 2.352 197 D HA 0.091 4.729 4.640 -0.002 0.000 0.245 197 D C 1.228 177.493 176.300 -0.057 0.000 1.224 197 D CA 0.112 54.047 54.000 -0.109 0.000 0.879 197 D CB 1.679 42.419 40.800 -0.101 0.000 1.057 197 D HN 0.620 nan 8.370 nan 0.000 0.491 198 T N 3.169 117.696 114.554 -0.044 0.000 2.720 198 T HA -0.211 4.138 4.350 -0.002 0.000 0.268 198 T C 1.546 176.234 174.700 -0.020 0.000 1.037 198 T CA 1.332 63.421 62.100 -0.019 0.000 1.144 198 T CB 0.105 68.969 68.868 -0.006 0.000 0.864 198 T HN 0.591 nan 8.240 nan 0.000 0.444 199 E N 0.583 120.766 120.200 -0.027 0.000 2.028 199 E HA -0.133 4.216 4.350 -0.002 0.000 0.190 199 E C 1.982 178.569 176.600 -0.022 0.000 0.984 199 E CA 0.815 57.199 56.400 -0.025 0.000 0.800 199 E CB 0.097 29.779 29.700 -0.029 0.000 0.758 199 E HN 0.282 nan 8.360 nan 0.000 0.448 200 E N 0.773 120.957 120.200 -0.026 0.000 2.478 200 E HA -0.066 4.283 4.350 -0.002 0.000 0.198 200 E C -0.123 176.467 176.600 -0.017 0.000 1.046 200 E CA 0.288 56.676 56.400 -0.020 0.000 0.870 200 E CB 0.010 29.697 29.700 -0.022 0.000 0.818 200 E HN 0.239 nan 8.360 nan 0.000 0.527 201 K N 1.066 121.455 120.400 -0.018 0.000 3.689 201 K HA -0.231 4.088 4.320 -0.002 0.000 0.276 201 K C -0.276 176.318 176.600 -0.010 0.000 0.932 201 K CA 0.796 57.076 56.287 -0.011 0.000 0.758 201 K CB -1.527 30.969 32.500 -0.006 0.000 1.500 201 K HN 0.312 nan 8.250 nan 0.000 0.448 202 K N -2.513 117.876 120.400 -0.017 0.000 2.551 202 K HA 0.471 4.790 4.320 -0.002 0.000 0.269 202 K C -0.615 175.973 176.600 -0.021 0.000 0.949 202 K CA -1.225 55.054 56.287 -0.014 0.000 0.849 202 K CB 1.549 34.041 32.500 -0.012 0.000 1.411 202 K HN -0.094 nan 8.250 nan 0.000 0.432 203 V N 3.398 123.307 119.914 -0.009 0.000 2.455 203 V HA 0.102 4.220 4.120 -0.002 0.000 0.273 203 V C 1.216 177.309 176.094 -0.002 0.000 1.045 203 V CA -0.232 62.066 62.300 -0.004 0.000 0.976 203 V CB 0.287 32.117 31.823 0.011 0.000 0.993 203 V HN 0.843 nan 8.190 nan 0.000 0.475 204 I N 1.581 122.143 120.570 -0.013 0.000 3.941 204 I HA 0.523 4.692 4.170 -0.002 0.000 0.321 204 I C 0.147 176.386 176.117 0.204 0.000 1.284 204 I CA 0.507 61.825 61.300 0.031 0.000 1.226 204 I CB 0.374 38.324 38.000 -0.082 0.000 1.045 204 I HN 0.467 nan 8.210 nan 0.000 0.420 205 F N 0.955 120.896 119.950 -0.015 0.000 2.769 205 F HA 0.605 5.130 4.527 -0.002 0.000 0.313 205 F C -1.980 173.867 175.800 0.078 0.000 1.146 205 F CA -0.965 57.083 58.000 0.080 0.000 0.934 205 F CB 1.630 40.767 39.000 0.228 0.000 1.283 205 F HN -0.239 nan 8.300 nan 0.000 0.443 206 I N 3.646 124.067 120.570 -0.247 0.000 2.478 206 I HA 0.281 4.450 4.170 -0.002 0.000 0.287 206 I C -1.395 174.761 176.117 0.064 0.000 1.042 206 I CA -0.808 60.493 61.300 0.001 0.000 1.067 206 I CB 1.851 39.807 38.000 -0.072 0.000 1.233 206 I HN 0.352 nan 8.210 nan 0.000 0.431 207 D N 7.663 128.257 120.400 0.324 0.000 2.317 207 D HA 0.434 5.072 4.640 -0.002 0.000 0.252 207 D C -0.279 176.174 176.300 0.254 0.000 1.174 207 D CA 0.298 54.528 54.000 0.382 0.000 0.866 207 D CB 1.701 42.736 40.800 0.392 0.000 1.127 207 D HN 0.301 nan 8.370 nan 0.000 0.467 208 I N 4.615 125.302 120.570 0.196 0.000 2.389 208 I HA 0.218 4.387 4.170 -0.002 0.000 0.288 208 I C -1.855 174.352 176.117 0.150 0.000 0.999 208 I CA -1.870 59.524 61.300 0.155 0.000 1.129 208 I CB 2.051 40.079 38.000 0.047 0.000 1.288 208 I HN 0.088 nan 8.210 nan 0.000 0.444 209 P HA 0.186 nan 4.420 nan 0.000 0.272 209 P C -0.226 177.135 177.300 0.101 0.000 1.230 209 P CA -0.324 62.865 63.100 0.148 0.000 0.788 209 P CB 1.103 32.921 31.700 0.197 0.000 0.949 210 N N 0.847 119.596 118.700 0.081 0.000 2.188 210 N HA -0.063 4.676 4.740 -0.002 0.000 0.184 210 N C 0.554 176.100 175.510 0.059 0.000 1.018 210 N CA 0.932 54.015 53.050 0.054 0.000 0.858 210 N CB -0.026 38.485 38.487 0.040 0.000 0.989 210 N HN 0.414 nan 8.380 nan 0.000 0.426 211 R N 1.746 122.295 120.500 0.082 0.000 2.210 211 R HA 0.223 4.561 4.340 -0.002 0.000 0.338 211 R C -0.135 176.215 176.300 0.084 0.000 1.062 211 R CA -0.435 55.712 56.100 0.078 0.000 0.902 211 R CB 0.851 31.208 30.300 0.094 0.000 1.050 211 R HN -0.082 nan 8.270 nan 0.000 0.461 212 R N 2.828 123.363 120.500 0.057 0.000 2.308 212 R HA 0.271 4.610 4.340 -0.002 0.000 0.305 212 R C -0.243 176.077 176.300 0.033 0.000 1.053 212 R CA -0.674 55.457 56.100 0.052 0.000 0.957 212 R CB 1.180 31.500 30.300 0.033 0.000 1.022 212 R HN 0.407 nan 8.270 nan 0.000 0.461 213 R N 1.875 122.389 120.500 0.024 0.000 2.451 213 R HA 0.315 4.654 4.340 -0.002 0.000 0.307 213 R C -0.266 176.023 176.300 -0.019 0.000 0.965 213 R CA -0.491 55.600 56.100 -0.015 0.000 0.865 213 R CB 1.737 32.000 30.300 -0.062 0.000 1.174 213 R HN 0.317 nan 8.270 nan 0.000 0.455 214 K N 1.253 121.641 120.400 -0.020 0.000 2.168 214 K HA 0.278 4.597 4.320 -0.002 0.000 0.258 214 K C -0.043 176.529 176.600 -0.046 0.000 1.010 214 K CA -0.709 55.563 56.287 -0.024 0.000 0.929 214 K CB 0.865 33.349 32.500 -0.027 0.000 0.998 214 K HN 0.168 nan 8.250 nan 0.000 0.479 215 V N 1.625 121.504 119.914 -0.059 0.000 2.843 215 V HA -0.117 4.001 4.120 -0.002 0.000 0.305 215 V C 0.817 176.889 176.094 -0.037 0.000 1.120 215 V CA 0.151 62.409 62.300 -0.070 0.000 1.254 215 V CB 0.914 32.632 31.823 -0.175 0.000 0.901 215 V HN 0.816 nan 8.190 nan 0.000 0.503 216 S N 3.136 118.821 115.700 -0.024 0.000 2.562 216 S HA 0.144 4.612 4.470 -0.002 0.000 0.281 216 S C 0.800 175.469 174.600 0.115 0.000 1.333 216 S CA -0.243 57.943 58.200 -0.023 0.000 1.052 216 S CB 0.374 63.408 63.200 -0.277 0.000 0.884 216 S HN 0.759 nan 8.310 nan 0.000 0.506 217 K N 2.096 122.518 120.400 0.035 0.000 2.358 217 K HA 0.115 4.434 4.320 -0.002 0.000 0.197 217 K C -0.100 176.516 176.600 0.026 0.000 1.025 217 K CA -0.022 56.277 56.287 0.020 0.000 1.104 217 K CB 0.075 32.521 32.500 -0.090 0.000 0.855 217 K HN 0.694 nan 8.250 nan 0.000 0.531 218 H N 1.359 120.524 119.070 0.159 0.000 2.660 218 H HA 0.098 4.653 4.556 -0.002 0.000 0.374 218 H C 0.074 175.610 175.328 0.346 0.000 1.291 218 H CA 0.123 56.276 56.048 0.174 0.000 1.437 218 H CB 0.561 30.360 29.762 0.063 0.000 1.509 218 H HN -0.147 nan 8.280 nan 0.000 0.614 219 K N 0.835 121.495 120.400 0.434 0.000 2.276 219 K HA 0.069 4.388 4.320 -0.002 0.000 0.259 219 K C -0.439 176.458 176.600 0.495 0.000 1.001 219 K CA -0.183 56.333 56.287 0.382 0.000 0.927 219 K CB 0.221 32.891 32.500 0.282 0.000 0.969 219 K HN 0.510 nan 8.250 nan 0.000 0.490 220 H N -0.137 119.047 119.070 0.189 0.000 2.707 220 H HA 0.173 4.727 4.556 -0.002 0.000 0.359 220 H C -0.280 175.032 175.328 -0.027 0.000 1.113 220 H CA 0.100 56.218 56.048 0.115 0.000 1.422 220 H CB 0.877 30.541 29.762 -0.164 0.000 1.443 220 H HN 0.667 nan 8.280 nan 0.000 0.591 221 A N 4.235 126.973 122.820 -0.137 0.000 2.527 221 A HA 0.203 4.522 4.320 -0.002 0.000 0.313 221 A C -0.086 177.328 177.584 -0.284 0.000 1.410 221 A CA -0.674 51.154 52.037 -0.349 0.000 1.060 221 A CB -0.560 17.977 19.000 -0.772 0.000 1.137 221 A HN 0.666 nan 8.150 nan 0.000 0.542 222 N N 0.981 119.516 118.700 -0.275 0.000 2.477 222 N HA 0.624 5.363 4.740 -0.002 0.000 0.284 222 N C -0.171 175.231 175.510 -0.180 0.000 1.182 222 N CA -0.332 52.430 53.050 -0.479 0.000 0.949 222 N CB 1.152 38.988 38.487 -1.085 0.000 1.204 222 N HN 0.586 nan 8.380 nan 0.000 0.526 223 F N -2.308 117.657 119.950 0.026 0.000 2.856 223 F HA 0.443 4.969 4.527 -0.002 0.000 0.338 223 F C -0.314 175.530 175.800 0.073 0.000 1.100 223 F CA -0.836 57.177 58.000 0.022 0.000 1.150 223 F CB -0.574 38.357 39.000 -0.115 0.000 1.101 223 F HN 0.195 nan 8.300 nan 0.000 0.548 224 Y N 2.548 122.981 120.300 0.222 0.000 2.314 224 Y HA 0.333 4.882 4.550 -0.002 0.000 0.334 224 Y C -1.040 174.882 175.900 0.036 0.000 1.266 224 Y CA -1.639 56.534 58.100 0.121 0.000 1.391 224 Y CB 0.244 38.662 38.460 -0.071 0.000 1.306 224 Y HN -0.224 nan 8.280 nan 0.000 0.558 225 P HA -0.281 nan 4.420 nan 0.000 0.216 225 P C 1.108 178.422 177.300 0.024 0.000 1.157 225 P CA 2.813 65.954 63.100 0.068 0.000 0.880 225 P CB 0.116 31.848 31.700 0.054 0.000 0.791 226 K N -1.008 119.357 120.400 -0.059 0.000 2.103 226 K HA -0.218 4.100 4.320 -0.002 0.000 0.207 226 K C 1.769 178.323 176.600 -0.077 0.000 1.048 226 K CA 1.778 57.994 56.287 -0.118 0.000 0.930 226 K CB -1.235 31.129 32.500 -0.227 0.000 0.716 226 K HN 0.279 nan 8.250 nan 0.000 0.444 227 H N 0.039 119.130 119.070 0.035 0.000 2.357 227 H HA 0.043 4.597 4.556 -0.002 0.000 0.301 227 H C 2.203 177.553 175.328 0.036 0.000 1.082 227 H CA 1.427 57.486 56.048 0.019 0.000 1.342 227 H CB 0.050 29.810 29.762 -0.004 0.000 1.389 227 H HN 0.082 nan 8.280 nan 0.000 0.511 228 M N 0.270 119.972 119.600 0.170 0.000 2.117 228 M HA -0.118 4.361 4.480 -0.002 0.000 0.262 228 M C 2.347 178.696 176.300 0.081 0.000 1.065 228 M CA 1.281 56.650 55.300 0.115 0.000 1.114 228 M CB -0.712 31.946 32.600 0.097 0.000 1.361 228 M HN 0.318 nan 8.290 nan 0.000 0.408 229 I N -0.204 120.403 120.570 0.062 0.000 2.264 229 I HA -0.298 3.871 4.170 -0.002 0.000 0.248 229 I C 2.508 178.655 176.117 0.050 0.000 1.111 229 I CA 1.347 62.674 61.300 0.044 0.000 1.382 229 I CB -0.371 37.645 38.000 0.026 0.000 1.060 229 I HN 0.432 nan 8.210 nan 0.000 0.418 230 E N 1.045 121.283 120.200 0.063 0.000 2.112 230 E HA -0.234 4.115 4.350 -0.002 0.000 0.190 230 E C 2.178 178.823 176.600 0.075 0.000 0.979 230 E CA 0.833 57.273 56.400 0.066 0.000 0.814 230 E CB 0.193 29.940 29.700 0.078 0.000 0.762 230 E HN 0.321 nan 8.360 nan 0.000 0.460 231 K N 0.476 120.930 120.400 0.089 0.000 2.007 231 K HA -0.048 4.271 4.320 -0.002 0.000 0.206 231 K C 0.970 177.616 176.600 0.077 0.000 1.047 231 K CA 1.238 57.580 56.287 0.091 0.000 0.937 231 K CB 0.229 32.791 32.500 0.104 0.000 0.718 231 K HN 0.084 nan 8.250 nan 0.000 0.438 232 V N -2.922 117.033 119.914 0.069 0.000 3.096 232 V HA 0.514 4.633 4.120 -0.002 0.000 0.319 232 V C 1.338 177.460 176.094 0.048 0.000 1.103 232 V CA -0.366 61.968 62.300 0.057 0.000 1.016 232 V CB 0.872 32.727 31.823 0.054 0.000 1.090 232 V HN 0.288 nan 8.190 nan 0.000 0.449 233 G N 0.602 109.426 108.800 0.040 0.000 2.599 233 G HA2 0.212 4.171 3.960 -0.002 0.000 0.219 233 G HA3 0.212 4.171 3.960 -0.002 0.000 0.219 233 G C 0.557 175.476 174.900 0.031 0.000 1.193 233 G CA 1.941 47.060 45.100 0.033 0.000 0.778 233 G HN 1.926 nan 8.290 nan 0.000 0.589 234 A N -2.722 120.117 122.820 0.031 0.000 2.438 234 A HA 0.620 4.939 4.320 -0.002 0.000 0.301 234 A C -0.573 177.028 177.584 0.028 0.000 1.101 234 A CA -0.606 51.448 52.037 0.028 0.000 0.621 234 A CB 0.262 19.275 19.000 0.022 0.000 1.350 234 A HN 0.074 nan 8.150 nan 0.000 0.496 235 M N 0.772 120.387 119.600 0.025 0.000 2.202 235 M HA 0.340 4.819 4.480 -0.002 0.000 0.316 235 M C 0.617 176.928 176.300 0.018 0.000 1.138 235 M CA 0.172 55.486 55.300 0.023 0.000 1.151 235 M CB 0.037 32.650 32.600 0.021 0.000 1.422 235 M HN 0.709 nan 8.290 nan 0.000 0.471 236 R N 0.793 121.302 120.500 0.016 0.000 2.582 236 R HA 0.355 4.694 4.340 -0.002 0.000 0.271 236 R C -2.073 174.234 176.300 0.010 0.000 1.078 236 R CA -1.402 54.705 56.100 0.012 0.000 1.127 236 R CB -0.508 29.798 30.300 0.010 0.000 1.038 236 R HN 0.388 nan 8.270 nan 0.000 0.500 237 P HA -0.054 nan 4.420 nan 0.000 0.268 237 P C -0.668 176.636 177.300 0.006 0.000 1.208 237 P CA -0.142 62.963 63.100 0.008 0.000 0.777 237 P CB 0.473 32.178 31.700 0.007 0.000 0.875 238 E N 1.412 121.616 120.200 0.006 0.000 2.465 238 E HA 0.267 4.616 4.350 -0.002 0.000 0.260 238 E C -0.399 176.204 176.600 0.004 0.000 0.980 238 E CA 0.055 56.459 56.400 0.005 0.000 0.927 238 E CB 0.035 29.738 29.700 0.005 0.000 0.934 238 E HN 0.455 nan 8.360 nan 0.000 0.459 239 A N 5.482 128.304 122.820 0.003 0.000 2.322 239 A HA 0.483 4.802 4.320 -0.002 0.000 0.269 239 A C -2.070 175.516 177.584 0.003 0.000 1.094 239 A CA -1.385 50.654 52.037 0.002 0.000 0.807 239 A CB -0.111 18.889 19.000 0.000 0.000 1.047 239 A HN 0.645 nan 8.150 nan 0.000 0.487 240 P HA 0.177 nan 4.420 nan 0.000 0.262 240 P C -2.215 175.087 177.300 0.003 0.000 1.182 240 P CA -0.325 62.777 63.100 0.003 0.000 0.761 240 P CB -0.070 31.631 31.700 0.003 0.000 0.795 241 P HA 0.208 nan 4.420 nan 0.000 0.271 241 P C -0.698 176.605 177.300 0.005 0.000 1.218 241 P CA 0.176 63.279 63.100 0.005 0.000 0.780 241 P CB 0.939 32.642 31.700 0.006 0.000 0.901 242 I N 2.954 123.527 120.570 0.005 0.000 2.405 242 I HA 0.206 4.375 4.170 -0.002 0.000 0.280 242 I C 0.153 176.276 176.117 0.010 0.000 1.027 242 I CA -0.620 60.684 61.300 0.007 0.000 1.161 242 I CB 0.740 38.743 38.000 0.005 0.000 1.300 242 I HN 0.187 nan 8.210 nan 0.000 0.463 243 N N 6.053 124.760 118.700 0.011 0.000 2.456 243 N HA 0.440 5.178 4.740 -0.002 0.000 0.288 243 N C -0.720 174.801 175.510 0.019 0.000 1.059 243 N CA -0.371 52.688 53.050 0.014 0.000 0.946 243 N CB 2.851 41.346 38.487 0.014 0.000 1.150 243 N HN 0.160 nan 8.380 nan 0.000 0.479 244 V N 1.403 121.331 119.914 0.023 0.000 2.444 244 V HA 0.515 4.634 4.120 -0.002 0.000 0.294 244 V C 0.038 176.152 176.094 0.034 0.000 1.022 244 V CA -0.603 61.716 62.300 0.032 0.000 0.850 244 V CB 1.480 33.327 31.823 0.040 0.000 0.992 244 V HN 0.871 nan 8.190 nan 0.000 0.426 245 T N 1.756 116.331 114.554 0.034 0.000 2.903 245 T HA 0.641 4.990 4.350 -0.002 0.000 0.299 245 T C -0.832 173.889 174.700 0.035 0.000 1.093 245 T CA -0.817 61.302 62.100 0.032 0.000 1.002 245 T CB 2.287 71.169 68.868 0.024 0.000 1.127 245 T HN 0.497 nan 8.240 nan 0.000 0.488 246 Q N 1.929 121.748 119.800 0.033 0.000 2.907 246 Q HA 0.261 4.600 4.340 -0.002 0.000 0.262 246 Q C -1.705 174.305 176.000 0.016 0.000 0.997 246 Q CA -2.075 53.746 55.803 0.030 0.000 0.797 246 Q CB 1.606 30.367 28.738 0.039 0.000 1.228 246 Q HN 0.592 nan 8.270 nan 0.000 0.466 247 P HA -0.209 nan 4.420 nan 0.000 0.217 247 P C 0.106 177.407 177.300 0.003 0.000 1.148 247 P CA 1.350 64.456 63.100 0.009 0.000 0.828 247 P CB 0.471 32.177 31.700 0.010 0.000 0.783 248 E N -0.410 119.791 120.200 0.002 0.000 2.451 248 E HA 0.360 4.709 4.350 -0.002 0.000 0.194 248 E C 0.925 177.514 176.600 -0.019 0.000 1.027 248 E CA 0.014 56.411 56.400 -0.006 0.000 0.914 248 E CB 0.137 29.835 29.700 -0.002 0.000 1.054 248 E HN 0.258 nan 8.360 nan 0.000 0.461 249 G N 0.843 109.629 108.800 -0.023 0.000 2.660 249 G HA2 -0.248 3.711 3.960 -0.002 0.000 0.215 249 G HA3 -0.248 3.711 3.960 -0.002 0.000 0.215 249 G C -0.077 174.781 174.900 -0.069 0.000 1.345 249 G CA -0.478 44.590 45.100 -0.053 0.000 0.877 249 G HN 0.408 nan 8.290 nan 0.000 0.549 250 V N -2.650 117.163 119.914 -0.168 0.000 2.966 250 V HA 0.869 4.988 4.120 -0.002 0.000 0.317 250 V C 1.447 177.431 176.094 -0.184 0.000 1.070 250 V CA 0.860 63.028 62.300 -0.220 0.000 1.008 250 V CB 1.522 32.962 31.823 -0.639 0.000 1.070 250 V HN 2.299 nan 8.190 nan 0.000 0.457 251 S N 1.093 116.789 115.700 -0.007 0.000 2.524 251 S HA 0.216 4.685 4.470 -0.002 0.000 0.216 251 S C 0.464 175.171 174.600 0.177 0.000 0.987 251 S CA -0.102 58.147 58.200 0.082 0.000 0.909 251 S CB -0.672 62.623 63.200 0.159 0.000 0.781 251 S HN 1.042 nan 8.310 nan 0.000 0.521 252 F N 1.518 121.619 119.950 0.252 0.000 2.375 252 F HA 0.738 5.264 4.527 -0.002 0.000 0.333 252 F C -0.156 175.680 175.800 0.060 0.000 1.104 252 F CA -1.310 56.825 58.000 0.224 0.000 1.149 252 F CB 0.774 39.869 39.000 0.159 0.000 1.190 252 F HN -0.080 nan 8.300 nan 0.000 0.533 253 K N 4.948 125.488 120.400 0.232 0.000 2.463 253 K HA 0.480 4.799 4.320 -0.002 0.000 0.255 253 K C -1.593 175.050 176.600 0.072 0.000 0.942 253 K CA -0.686 55.654 56.287 0.089 0.000 0.814 253 K CB 1.307 33.825 32.500 0.030 0.000 1.122 253 K HN 0.927 nan 8.250 nan 0.000 0.425 254 M N 2.768 122.396 119.600 0.046 0.000 2.294 254 M HA 0.252 4.731 4.480 -0.002 0.000 0.335 254 M C -0.763 175.534 176.300 -0.005 0.000 1.079 254 M CA -0.612 54.660 55.300 -0.047 0.000 0.982 254 M CB 2.209 34.703 32.600 -0.176 0.000 1.651 254 M HN 0.507 nan 8.290 nan 0.000 0.437 255 T N 2.708 117.251 114.554 -0.018 0.000 3.060 255 T HA 0.537 4.886 4.350 -0.002 0.000 0.367 255 T C 0.584 175.302 174.700 0.031 0.000 1.229 255 T CA 0.229 62.343 62.100 0.025 0.000 1.104 255 T CB 0.824 69.714 68.868 0.037 0.000 1.083 255 T HN 1.082 nan 8.240 nan 0.000 0.524 256 G N 4.038 112.863 108.800 0.042 0.000 2.536 256 G HA2 -0.297 3.662 3.960 -0.002 0.000 0.277 256 G HA3 -0.297 3.662 3.960 -0.002 0.000 0.277 256 G C 0.673 175.557 174.900 -0.027 0.000 1.155 256 G CA -0.026 45.101 45.100 0.045 0.000 0.960 256 G HN 0.540 nan 8.290 nan 0.000 0.544 257 N N 0.525 119.170 118.700 -0.091 0.000 2.236 257 N HA 0.216 4.955 4.740 -0.002 0.000 0.196 257 N C 0.451 175.724 175.510 -0.396 0.000 1.114 257 N CA 0.615 53.489 53.050 -0.293 0.000 0.859 257 N CB 1.040 39.230 38.487 -0.495 0.000 0.982 257 N HN 0.384 nan 8.380 nan 0.000 0.493 258 V N 2.481 122.265 119.914 -0.216 0.000 2.432 258 V HA 0.187 4.305 4.120 -0.002 0.000 0.271 258 V C 0.302 176.219 176.094 -0.295 0.000 1.046 258 V CA -0.384 61.793 62.300 -0.204 0.000 0.945 258 V CB 1.071 32.891 31.823 -0.005 0.000 0.992 258 V HN 0.105 nan 8.190 nan 0.000 0.471 259 M N 5.346 124.618 119.600 -0.546 0.000 2.363 259 M HA 0.526 5.004 4.480 -0.002 0.000 0.343 259 M C -0.571 175.444 176.300 -0.476 0.000 1.165 259 M CA 0.130 55.042 55.300 -0.648 0.000 1.046 259 M CB 1.390 33.242 32.600 -1.248 0.000 1.648 259 M HN 0.654 nan 8.290 nan 0.000 0.452 260 E N 3.694 123.781 120.200 -0.189 0.000 2.265 260 E HA 0.438 4.786 4.350 -0.002 0.000 0.262 260 E C -2.228 174.474 176.600 0.170 0.000 0.889 260 E CA -0.288 56.097 56.400 -0.024 0.000 0.789 260 E CB 1.748 31.441 29.700 -0.012 0.000 1.221 260 E HN 0.772 nan 8.360 nan 0.000 0.414 261 W N 2.444 123.748 121.300 0.007 0.000 3.624 261 W HA 0.194 4.853 4.660 -0.002 0.000 0.312 261 W C -0.180 176.431 176.519 0.153 0.000 1.203 261 W CA -0.443 56.961 57.345 0.098 0.000 1.225 261 W CB 1.580 31.109 29.460 0.114 0.000 1.321 261 W HN 0.440 nan 8.180 nan 0.000 0.506 262 S N 5.110 120.372 115.700 -0.730 0.000 3.410 262 S HA -0.333 4.136 4.470 -0.002 0.000 0.369 262 S C 0.838 175.144 174.600 -0.490 0.000 0.961 262 S CA 2.003 59.734 58.200 -0.782 0.000 1.248 262 S CB -1.305 61.007 63.200 -1.480 0.000 0.914 262 S HN 0.997 nan 8.310 nan 0.000 0.497 263 N N -2.204 116.238 118.700 -0.430 0.000 2.967 263 N HA -0.176 4.562 4.740 -0.002 0.000 0.218 263 N C -0.176 175.012 175.510 -0.537 0.000 0.870 263 N CA 1.775 54.431 53.050 -0.656 0.000 1.030 263 N CB -1.489 36.221 38.487 -1.294 0.000 1.027 263 N HN 0.566 nan 8.380 nan 0.000 0.603 264 F N 1.574 121.465 119.950 -0.099 0.000 2.389 264 F HA 0.423 4.949 4.527 -0.002 0.000 0.337 264 F C 0.944 176.819 175.800 0.125 0.000 1.112 264 F CA 0.236 58.342 58.000 0.177 0.000 1.192 264 F CB 0.889 40.156 39.000 0.445 0.000 1.185 264 F HN -0.168 nan 8.300 nan 0.000 0.552 265 K N 4.346 124.998 120.400 0.420 0.000 2.535 265 K HA 0.581 4.900 4.320 -0.002 0.000 0.250 265 K C -1.812 174.973 176.600 0.309 0.000 0.948 265 K CA -0.481 55.915 56.287 0.181 0.000 0.796 265 K CB 1.435 34.001 32.500 0.109 0.000 1.216 265 K HN 0.509 nan 8.250 nan 0.000 0.432 266 F N -0.311 119.645 119.950 0.010 0.000 2.741 266 F HA 0.386 4.911 4.527 -0.002 0.000 0.311 266 F C -1.513 174.268 175.800 -0.032 0.000 1.149 266 F CA -1.170 56.833 58.000 0.005 0.000 0.930 266 F CB 0.941 39.913 39.000 -0.046 0.000 1.312 266 F HN 0.411 nan 8.300 nan 0.000 0.450 267 H N 2.661 121.768 119.070 0.060 0.000 2.488 267 H HA 0.528 5.082 4.556 -0.002 0.000 0.322 267 H C -1.091 174.221 175.328 -0.027 0.000 1.078 267 H CA -0.547 55.425 56.048 -0.127 0.000 1.260 267 H CB 1.416 31.004 29.762 -0.289 0.000 1.425 267 H HN 0.739 nan 8.280 nan 0.000 0.471 268 I N 5.794 126.061 120.570 -0.506 0.000 2.287 268 I HA 0.198 4.367 4.170 -0.002 0.000 0.290 268 I C 1.055 176.969 176.117 -0.337 0.000 1.069 268 I CA -0.284 60.859 61.300 -0.261 0.000 1.237 268 I CB 0.841 38.728 38.000 -0.188 0.000 1.418 268 I HN 0.547 nan 8.210 nan 0.000 0.481 269 G N 5.156 113.923 108.800 -0.055 0.000 2.557 269 G HA2 0.690 4.649 3.960 -0.002 0.000 0.302 269 G HA3 0.690 4.649 3.960 -0.002 0.000 0.302 269 G C -1.440 173.575 174.900 0.191 0.000 1.311 269 G CA -0.296 44.877 45.100 0.123 0.000 1.030 269 G HN 0.390 nan 8.290 nan 0.000 0.509 270 F N 0.426 120.394 119.950 0.031 0.000 2.669 270 F HA 0.420 4.946 4.527 -0.002 0.000 0.315 270 F C -1.231 174.635 175.800 0.110 0.000 1.109 270 F CA -0.950 57.076 58.000 0.043 0.000 1.028 270 F CB 1.815 40.832 39.000 0.027 0.000 1.287 270 F HN 0.823 nan 8.300 nan 0.000 0.452 271 N N 2.312 120.923 118.700 -0.149 0.000 2.647 271 N HA 0.258 4.997 4.740 -0.002 0.000 0.266 271 N C 0.120 175.581 175.510 -0.081 0.000 1.373 271 N CA -0.511 52.609 53.050 0.117 0.000 0.807 271 N CB 0.402 38.965 38.487 0.127 0.000 1.513 271 N HN 0.514 nan 8.380 nan 0.000 0.505 272 Y N -1.042 119.168 120.300 -0.150 0.000 2.365 272 Y HA 0.039 4.588 4.550 -0.002 0.000 0.287 272 Y C 2.005 177.438 175.900 -0.777 0.000 1.162 272 Y CA 1.301 58.893 58.100 -0.847 0.000 1.260 272 Y CB -0.345 37.231 38.460 -1.473 0.000 0.976 272 Y HN 0.653 nan 8.280 nan 0.000 0.548 273 R N 0.347 119.972 120.500 -1.458 0.000 2.064 273 R HA 0.085 4.424 4.340 -0.002 0.000 0.210 273 R C 1.984 177.865 176.300 -0.699 0.000 1.221 273 R CA 0.977 56.339 56.100 -1.230 0.000 1.055 273 R CB 0.016 29.387 30.300 -1.548 0.000 0.946 273 R HN 0.396 nan 8.270 nan 0.000 0.459 274 E N -0.162 119.734 120.200 -0.507 0.000 2.358 274 E HA 0.127 4.476 4.350 -0.002 0.000 0.195 274 E C 0.861 177.242 176.600 -0.364 0.000 1.010 274 E CA 0.414 56.631 56.400 -0.304 0.000 0.856 274 E CB 0.380 29.994 29.700 -0.143 0.000 0.795 274 E HN 0.566 nan 8.360 nan 0.000 0.504 275 G N 1.896 110.313 108.800 -0.638 0.000 2.523 275 G HA2 -0.337 3.622 3.960 -0.002 0.000 0.271 275 G HA3 -0.337 3.622 3.960 -0.002 0.000 0.271 275 G C 0.066 174.413 174.900 -0.922 0.000 1.146 275 G CA -0.196 44.300 45.100 -1.007 0.000 0.961 275 G HN 0.188 nan 8.290 nan 0.000 0.549 276 I N 1.164 121.555 120.570 -0.298 0.000 2.683 276 I HA 0.336 4.505 4.170 -0.002 0.000 0.286 276 I C 0.308 176.276 176.117 -0.247 0.000 1.175 276 I CA 0.096 61.361 61.300 -0.060 0.000 1.429 276 I CB 0.809 38.853 38.000 0.074 0.000 1.371 276 I HN 0.329 nan 8.210 nan 0.000 0.569 277 V N 7.938 127.719 119.914 -0.222 0.000 2.482 277 V HA 0.354 4.473 4.120 -0.002 0.000 0.295 277 V C -0.109 175.833 176.094 -0.253 0.000 1.026 277 V CA -0.554 61.585 62.300 -0.269 0.000 0.856 277 V CB 1.657 33.388 31.823 -0.154 0.000 1.001 277 V HN 0.446 nan 8.190 nan 0.000 0.424 278 L N 4.281 125.264 121.223 -0.399 0.000 2.264 278 L HA 0.672 5.011 4.340 -0.002 0.000 0.289 278 L C 0.214 176.986 176.870 -0.164 0.000 1.044 278 L CA 0.155 54.843 54.840 -0.254 0.000 0.807 278 L CB 1.543 43.351 42.059 -0.418 0.000 1.192 278 L HN 0.628 nan 8.230 nan 0.000 0.425 279 S N 0.670 116.353 115.700 -0.030 0.000 2.634 279 S HA 0.307 4.776 4.470 -0.002 0.000 0.296 279 S C -0.471 174.135 174.600 0.010 0.000 1.104 279 S CA -0.629 57.497 58.200 -0.124 0.000 0.920 279 S CB 1.749 64.784 63.200 -0.275 0.000 1.111 279 S HN 0.743 nan 8.310 nan 0.000 0.493 280 D N 0.947 121.304 120.400 -0.073 0.000 2.697 280 D HA -0.142 4.496 4.640 -0.002 0.000 0.235 280 D C -0.687 175.751 176.300 0.231 0.000 1.167 280 D CA 0.353 54.439 54.000 0.143 0.000 0.656 280 D CB -1.169 39.799 40.800 0.280 0.000 1.025 280 D HN 0.255 nan 8.370 nan 0.000 0.419 281 V N 1.222 121.264 119.914 0.213 0.000 2.455 281 V HA 0.518 4.637 4.120 -0.002 0.000 0.273 281 V C 0.919 177.157 176.094 0.240 0.000 1.045 281 V CA 0.353 62.821 62.300 0.280 0.000 0.976 281 V CB 1.375 33.344 31.823 0.243 0.000 0.993 281 V HN 0.488 nan 8.190 nan 0.000 0.475 282 S N 4.615 120.509 115.700 0.323 0.000 2.661 282 S HA 0.784 5.253 4.470 -0.002 0.000 0.285 282 S C -1.352 173.467 174.600 0.365 0.000 1.138 282 S CA -0.796 57.569 58.200 0.275 0.000 0.855 282 S CB 2.111 65.435 63.200 0.206 0.000 1.136 282 S HN 0.589 nan 8.310 nan 0.000 0.484 283 Y N 1.612 122.015 120.300 0.172 0.000 2.373 283 Y HA 0.500 5.049 4.550 -0.002 0.000 0.336 283 Y C -0.620 175.336 175.900 0.094 0.000 0.979 283 Y CA -0.784 57.367 58.100 0.085 0.000 1.080 283 Y CB 1.600 40.108 38.460 0.081 0.000 1.190 283 Y HN 0.862 nan 8.280 nan 0.000 0.446 284 N N 4.823 123.293 118.700 -0.384 0.000 2.415 284 N HA 0.013 4.752 4.740 -0.002 0.000 0.250 284 N C -1.172 174.255 175.510 -0.138 0.000 1.127 284 N CA 0.160 53.091 53.050 -0.199 0.000 0.945 284 N CB 0.312 38.649 38.487 -0.249 0.000 1.196 284 N HN 0.694 nan 8.380 nan 0.000 0.499 285 D N 2.657 123.171 120.400 0.189 0.000 2.522 285 D HA 0.086 4.725 4.640 -0.002 0.000 0.218 285 D C -0.396 175.991 176.300 0.144 0.000 1.149 285 D CA -0.107 54.065 54.000 0.287 0.000 0.981 285 D CB -0.716 40.344 40.800 0.433 0.000 1.041 285 D HN 0.557 nan 8.370 nan 0.000 0.518 286 H N 1.633 120.751 119.070 0.079 0.000 2.604 286 H HA -0.198 4.357 4.556 -0.002 0.000 0.321 286 H C 1.457 176.795 175.328 0.016 0.000 1.132 286 H CA 1.024 57.089 56.048 0.028 0.000 1.129 286 H CB -1.005 28.776 29.762 0.031 0.000 1.526 286 H HN 0.678 nan 8.280 nan 0.000 0.415 287 G N -0.150 108.683 108.800 0.055 0.000 2.279 287 G HA2 -0.341 3.617 3.960 -0.002 0.000 0.223 287 G HA3 -0.341 3.617 3.960 -0.002 0.000 0.223 287 G C 0.264 175.185 174.900 0.035 0.000 1.015 287 G CA 0.038 45.160 45.100 0.037 0.000 0.621 287 G HN 0.738 nan 8.290 nan 0.000 0.506 288 N N 0.863 119.599 118.700 0.061 0.000 2.469 288 N HA 0.420 5.159 4.740 -0.002 0.000 0.239 288 N C 0.076 175.630 175.510 0.074 0.000 1.053 288 N CA -0.358 52.724 53.050 0.055 0.000 0.937 288 N CB 0.668 39.188 38.487 0.056 0.000 1.163 288 N HN 0.068 nan 8.380 nan 0.000 0.509 289 V N 4.735 124.681 119.914 0.053 0.000 2.397 289 V HA 0.138 4.257 4.120 -0.002 0.000 0.262 289 V C 0.436 176.591 176.094 0.100 0.000 1.047 289 V CA 0.014 62.357 62.300 0.072 0.000 1.003 289 V CB -0.110 31.739 31.823 0.043 0.000 1.037 289 V HN 0.601 nan 8.190 nan 0.000 0.480 290 R N 5.893 126.495 120.500 0.171 0.000 2.338 290 R HA 0.460 4.799 4.340 -0.002 0.000 0.317 290 R C -2.739 173.697 176.300 0.226 0.000 0.968 290 R CA -1.857 54.355 56.100 0.187 0.000 0.849 290 R CB 1.478 31.904 30.300 0.210 0.000 1.128 290 R HN 0.394 nan 8.270 nan 0.000 0.448 291 P HA 0.124 nan 4.420 nan 0.000 0.272 291 P C -0.082 177.248 177.300 0.050 0.000 1.223 291 P CA 0.059 63.230 63.100 0.118 0.000 0.784 291 P CB 0.869 32.627 31.700 0.098 0.000 0.923 292 I N -0.499 119.992 120.570 -0.132 0.000 3.669 292 I HA 0.214 4.383 4.170 -0.002 0.000 0.255 292 I C -0.125 175.572 176.117 -0.701 0.000 1.144 292 I CA 0.426 61.355 61.300 -0.618 0.000 1.447 292 I CB 0.242 37.649 38.000 -0.989 0.000 1.622 292 I HN 0.121 nan 8.210 nan 0.000 0.435 293 F N 0.196 120.091 119.950 -0.093 0.000 2.565 293 F HA 0.365 4.890 4.527 -0.002 0.000 0.313 293 F C 0.997 176.793 175.800 -0.007 0.000 1.091 293 F CA -0.933 57.019 58.000 -0.081 0.000 0.915 293 F CB 0.856 39.763 39.000 -0.155 0.000 1.208 293 F HN -0.023 nan 8.300 nan 0.000 0.453 294 H N 1.793 120.936 119.070 0.122 0.000 2.497 294 H HA 0.290 4.844 4.556 -0.002 0.000 0.282 294 H C 0.058 175.374 175.328 -0.021 0.000 1.003 294 H CA 0.871 56.938 56.048 0.032 0.000 1.307 294 H CB 0.560 30.297 29.762 -0.041 0.000 1.437 294 H HN 0.596 nan 8.280 nan 0.000 0.544 295 R N 0.390 120.832 120.500 -0.097 0.000 2.579 295 R HA 0.352 4.691 4.340 -0.002 0.000 0.260 295 R C -2.203 173.959 176.300 -0.231 0.000 1.103 295 R CA -0.462 55.512 56.100 -0.211 0.000 0.942 295 R CB 1.712 31.888 30.300 -0.206 0.000 1.251 295 R HN 0.216 nan 8.270 nan 0.000 0.450 296 I N 2.798 123.181 120.570 -0.312 0.000 2.692 296 I HA 0.618 4.786 4.170 -0.002 0.000 0.293 296 I C -1.466 174.390 176.117 -0.435 0.000 1.200 296 I CA -0.088 60.982 61.300 -0.383 0.000 1.036 296 I CB 2.108 39.816 38.000 -0.488 0.000 1.258 296 I HN 0.932 nan 8.210 nan 0.000 0.421 297 S N 6.206 121.768 115.700 -0.229 0.000 2.656 297 S HA 0.510 4.979 4.470 -0.002 0.000 0.265 297 S C -1.720 172.984 174.600 0.174 0.000 1.132 297 S CA -1.067 57.075 58.200 -0.096 0.000 0.819 297 S CB 1.008 64.111 63.200 -0.162 0.000 1.119 297 S HN 0.580 nan 8.310 nan 0.000 0.476 298 L N 2.649 124.023 121.223 0.251 0.000 2.264 298 L HA 0.488 4.826 4.340 -0.002 0.000 0.289 298 L C 1.245 178.163 176.870 0.081 0.000 1.044 298 L CA -0.200 54.761 54.840 0.202 0.000 0.807 298 L CB 1.706 43.913 42.059 0.247 0.000 1.192 298 L HN 1.025 nan 8.230 nan 0.000 0.425 299 S N 0.802 116.533 115.700 0.051 0.000 2.503 299 S HA 0.190 4.659 4.470 -0.002 0.000 0.215 299 S C 0.322 174.933 174.600 0.018 0.000 1.003 299 S CA -0.155 58.104 58.200 0.099 0.000 0.910 299 S CB 0.472 63.780 63.200 0.179 0.000 0.790 299 S HN 0.662 nan 8.310 nan 0.000 0.514 300 E N -0.673 119.422 120.200 -0.175 0.000 2.417 300 E HA 0.666 5.015 4.350 -0.002 0.000 0.280 300 E C -1.774 174.651 176.600 -0.293 0.000 1.112 300 E CA -0.448 55.785 56.400 -0.278 0.000 0.863 300 E CB 1.118 30.543 29.700 -0.457 0.000 1.346 300 E HN 0.311 nan 8.360 nan 0.000 0.443 301 M N 1.381 120.922 119.600 -0.098 0.000 2.644 301 M HA 0.634 5.113 4.480 -0.002 0.000 0.273 301 M C -1.402 175.012 176.300 0.190 0.000 1.253 301 M CA -0.861 54.417 55.300 -0.036 0.000 0.852 301 M CB 2.575 35.033 32.600 -0.236 0.000 1.708 301 M HN 0.578 nan 8.290 nan 0.000 0.471 302 I N 0.886 121.517 120.570 0.102 0.000 2.710 302 I HA 0.432 4.601 4.170 -0.002 0.000 0.290 302 I C -1.706 174.383 176.117 -0.047 0.000 1.318 302 I CA -0.583 60.756 61.300 0.065 0.000 1.045 302 I CB 1.938 39.967 38.000 0.048 0.000 1.307 302 I HN 0.419 nan 8.210 nan 0.000 0.424 303 V N 8.875 128.795 119.914 0.009 0.000 2.225 303 V HA 0.346 4.465 4.120 -0.002 0.000 0.264 303 V C -2.248 173.882 176.094 0.061 0.000 1.067 303 V CA -1.267 61.006 62.300 -0.045 0.000 0.903 303 V CB 0.750 32.585 31.823 0.020 0.000 1.136 303 V HN 0.513 nan 8.190 nan 0.000 0.456 304 P HA 0.254 nan 4.420 nan 0.000 0.282 304 P C -0.617 176.677 177.300 -0.010 0.000 1.274 304 P CA -0.108 63.035 63.100 0.072 0.000 0.770 304 P CB 0.795 32.471 31.700 -0.041 0.000 0.867 305 F N 1.738 121.734 119.950 0.077 0.000 2.371 305 F HA 0.409 4.934 4.527 -0.002 0.000 0.329 305 F C 1.911 177.699 175.800 -0.019 0.000 1.107 305 F CA 0.479 58.520 58.000 0.069 0.000 1.137 305 F CB 0.768 39.810 39.000 0.070 0.000 1.214 305 F HN 0.381 nan 8.300 nan 0.000 0.536 306 G N 0.446 109.304 108.800 0.096 0.000 3.434 306 G HA2 0.071 4.029 3.960 -0.002 0.000 0.258 306 G HA3 0.071 4.029 3.960 -0.002 0.000 0.258 306 G C -0.024 174.792 174.900 -0.140 0.000 1.128 306 G CA -0.043 45.057 45.100 -0.000 0.000 0.792 306 G HN 0.505 nan 8.290 nan 0.000 0.539 307 S N 1.270 116.836 115.700 -0.223 0.000 2.475 307 S HA 0.453 4.921 4.470 -0.002 0.000 0.281 307 S C -0.846 173.465 174.600 -0.482 0.000 1.198 307 S CA -1.419 56.482 58.200 -0.499 0.000 1.063 307 S CB 1.889 64.639 63.200 -0.750 0.000 0.972 307 S HN 0.087 nan 8.310 nan 0.000 0.486 308 P HA 0.066 nan 4.420 nan 0.000 0.236 308 P C -0.294 176.861 177.300 -0.241 0.000 1.177 308 P CA 0.217 63.046 63.100 -0.451 0.000 0.773 308 P CB 0.120 31.478 31.700 -0.570 0.000 0.878 309 E N 0.169 120.256 120.200 -0.188 0.000 2.360 309 E HA 0.112 4.461 4.350 -0.002 0.000 0.269 309 E C -0.351 176.155 176.600 -0.156 0.000 1.022 309 E CA -0.678 55.688 56.400 -0.055 0.000 0.887 309 E CB 0.339 30.079 29.700 0.067 0.000 0.990 309 E HN 0.048 nan 8.360 nan 0.000 0.426 310 F N 4.915 124.719 119.950 -0.243 0.000 2.529 310 F HA 0.073 4.599 4.527 -0.002 0.000 0.365 310 F C -1.395 174.089 175.800 -0.527 0.000 1.102 310 F CA -1.535 56.289 58.000 -0.293 0.000 1.271 310 F CB 0.842 39.744 39.000 -0.164 0.000 1.120 310 F HN 0.314 nan 8.300 nan 0.000 0.579 311 P HA 0.147 nan 4.420 nan 0.000 0.257 311 P C -0.151 176.685 177.300 -0.774 0.000 1.737 311 P CA 0.206 62.496 63.100 -1.351 0.000 1.130 311 P CB -0.374 30.591 31.700 -1.225 0.000 1.572 312 H N 0.496 119.304 119.070 -0.438 0.000 2.561 312 H HA -0.091 4.464 4.556 -0.002 0.000 0.278 312 H C 2.272 177.462 175.328 -0.229 0.000 1.014 312 H CA 0.684 56.520 56.048 -0.354 0.000 1.211 312 H CB 0.122 29.667 29.762 -0.361 0.000 1.365 312 H HN 0.244 nan 8.280 nan 0.000 0.594 313 Q N 1.650 121.363 119.800 -0.145 0.000 2.369 313 Q HA -0.112 4.227 4.340 -0.002 0.000 0.206 313 Q C 1.299 177.362 176.000 0.105 0.000 0.963 313 Q CA 1.016 56.794 55.803 -0.041 0.000 0.894 313 Q CB -0.061 28.632 28.738 -0.074 0.000 0.965 313 Q HN 0.481 nan 8.270 nan 0.000 0.475 314 R N 0.879 121.370 120.500 -0.016 0.000 2.319 314 R HA 0.164 4.502 4.340 -0.002 0.000 0.204 314 R C 0.081 176.385 176.300 0.007 0.000 0.954 314 R CA 0.131 56.249 56.100 0.030 0.000 1.066 314 R CB 0.273 30.506 30.300 -0.111 0.000 0.991 314 R HN 0.139 nan 8.270 nan 0.000 0.486 315 K N 1.961 122.410 120.400 0.082 0.000 2.296 315 K HA 0.099 4.417 4.320 -0.002 0.000 0.257 315 K C -0.408 176.470 176.600 0.462 0.000 1.088 315 K CA -0.130 56.236 56.287 0.132 0.000 0.980 315 K CB 0.513 32.843 32.500 -0.284 0.000 1.430 315 K HN 0.294 nan 8.250 nan 0.000 0.441 316 H N 0.114 119.398 119.070 0.358 0.000 3.080 316 H HA 0.191 4.746 4.556 -0.002 0.000 0.211 316 H C -0.747 174.701 175.328 0.200 0.000 1.359 316 H CA -0.704 55.495 56.048 0.253 0.000 1.322 316 H CB -0.608 29.221 29.762 0.112 0.000 2.164 316 H HN 0.352 nan 8.280 nan 0.000 0.526 317 A N 1.882 124.811 122.820 0.183 0.000 2.546 317 A HA 0.310 4.628 4.320 -0.002 0.000 0.243 317 A C 0.185 177.780 177.584 0.018 0.000 1.063 317 A CA -0.197 51.858 52.037 0.030 0.000 0.757 317 A CB 0.130 19.111 19.000 -0.033 0.000 0.991 317 A HN 0.468 nan 8.150 nan 0.000 0.503 318 L N 3.559 124.752 121.223 -0.049 0.000 2.494 318 L HA 0.208 4.546 4.340 -0.002 0.000 0.251 318 L C 0.712 177.500 176.870 -0.135 0.000 1.119 318 L CA -0.055 54.775 54.840 -0.016 0.000 1.026 318 L CB 0.599 42.689 42.059 0.052 0.000 1.370 318 L HN 0.754 nan 8.230 nan 0.000 0.426 319 D N 1.248 121.593 120.400 -0.091 0.000 2.133 319 D HA -0.259 4.380 4.640 -0.002 0.000 0.192 319 D C 2.030 178.230 176.300 -0.166 0.000 1.001 319 D CA 1.785 55.761 54.000 -0.039 0.000 0.844 319 D CB 0.278 41.103 40.800 0.042 0.000 0.944 319 D HN 0.480 nan 8.370 nan 0.000 0.447 320 I N 0.798 121.231 120.570 -0.228 0.000 2.142 320 I HA -0.178 3.991 4.170 -0.002 0.000 0.240 320 I C 2.561 178.468 176.117 -0.349 0.000 1.078 320 I CA 1.525 62.632 61.300 -0.322 0.000 1.343 320 I CB -0.399 37.437 38.000 -0.273 0.000 1.046 320 I HN 0.023 nan 8.210 nan 0.000 0.405 321 G N -0.380 108.249 108.800 -0.284 0.000 2.572 321 G HA2 -0.100 3.859 3.960 -0.002 0.000 0.216 321 G HA3 -0.100 3.859 3.960 -0.002 0.000 0.216 321 G C 1.430 176.187 174.900 -0.239 0.000 1.133 321 G CA 0.188 45.114 45.100 -0.290 0.000 0.791 321 G HN 0.410 nan 8.290 nan 0.000 0.538 322 E N -1.391 118.618 120.200 -0.318 0.000 2.431 322 E HA 0.136 4.485 4.350 -0.002 0.000 0.200 322 E C 0.886 177.159 176.600 -0.544 0.000 0.995 322 E CA 0.255 56.374 56.400 -0.467 0.000 0.915 322 E CB 0.367 29.652 29.700 -0.691 0.000 0.930 322 E HN 0.556 nan 8.360 nan 0.000 0.496 323 Y N -0.426 119.830 120.300 -0.074 0.000 2.640 323 Y HA 0.344 4.892 4.550 -0.002 0.000 0.274 323 Y C 0.781 176.668 175.900 -0.022 0.000 1.164 323 Y CA 0.232 58.311 58.100 -0.034 0.000 1.189 323 Y CB 1.059 39.475 38.460 -0.073 0.000 1.333 323 Y HN -0.042 nan 8.280 nan 0.000 0.494 324 G N 0.747 109.495 108.800 -0.087 0.000 3.421 324 G HA2 0.157 4.116 3.960 -0.002 0.000 0.686 324 G HA3 0.157 4.116 3.960 -0.002 0.000 0.686 324 G C 0.614 175.260 174.900 -0.423 0.000 1.056 324 G CA -0.259 44.643 45.100 -0.330 0.000 0.891 324 G HN 0.619 nan 8.290 nan 0.000 0.514 325 A N 1.331 123.769 122.820 -0.638 0.000 2.067 325 A HA 0.343 4.662 4.320 -0.002 0.000 0.219 325 A C 2.582 179.932 177.584 -0.390 0.000 1.158 325 A CA 2.436 53.957 52.037 -0.859 0.000 0.661 325 A CB -0.359 18.182 19.000 -0.765 0.000 0.801 325 A HN 2.148 nan 8.150 nan 0.000 0.452 326 G N -1.492 107.084 108.800 -0.374 0.000 2.404 326 G HA2 -0.080 3.879 3.960 -0.002 0.000 0.213 326 G HA3 -0.080 3.879 3.960 -0.002 0.000 0.213 326 G C 1.381 176.374 174.900 0.155 0.000 1.189 326 G CA 0.856 45.935 45.100 -0.035 0.000 0.796 326 G HN 0.424 nan 8.290 nan 0.000 0.532 327 Y N 0.723 120.858 120.300 -0.276 0.000 2.256 327 Y HA 0.022 4.570 4.550 -0.002 0.000 0.288 327 Y C 2.843 178.761 175.900 0.031 0.000 1.155 327 Y CA 0.693 58.653 58.100 -0.233 0.000 1.203 327 Y CB -0.337 37.995 38.460 -0.213 0.000 0.980 327 Y HN 0.143 nan 8.280 nan 0.000 0.530 328 M N -1.273 118.437 119.600 0.184 0.000 2.561 328 M HA 0.005 4.483 4.480 -0.002 0.000 0.238 328 M C 0.806 177.293 176.300 0.311 0.000 1.131 328 M CA 0.257 55.681 55.300 0.206 0.000 1.046 328 M CB -0.077 32.626 32.600 0.171 0.000 1.532 328 M HN -0.122 nan 8.290 nan 0.000 0.497 329 T N 2.198 116.963 114.554 0.352 0.000 2.916 329 T HA 0.074 4.422 4.350 -0.002 0.000 0.303 329 T C 0.124 174.993 174.700 0.282 0.000 1.025 329 T CA -0.082 62.254 62.100 0.393 0.000 1.142 329 T CB 0.243 69.410 68.868 0.499 0.000 0.947 329 T HN 0.212 nan 8.240 nan 0.000 0.544 330 N N 5.319 124.155 118.700 0.226 0.000 2.499 330 N HA 0.342 5.081 4.740 -0.002 0.000 0.281 330 N C -2.642 172.924 175.510 0.094 0.000 1.098 330 N CA -1.808 51.327 53.050 0.142 0.000 0.979 330 N CB 0.945 39.498 38.487 0.110 0.000 1.121 330 N HN 0.360 nan 8.380 nan 0.000 0.466 331 P HA 0.115 nan 4.420 nan 0.000 0.271 331 P C 0.430 177.721 177.300 -0.016 0.000 1.226 331 P CA -0.290 62.804 63.100 -0.010 0.000 0.765 331 P CB 0.651 32.334 31.700 -0.029 0.000 0.835 332 L N 2.195 123.403 121.223 -0.024 0.000 2.554 332 L HA -0.021 4.318 4.340 -0.002 0.000 0.226 332 L C 2.177 179.018 176.870 -0.048 0.000 1.137 332 L CA 1.056 55.912 54.840 0.026 0.000 0.863 332 L CB -1.920 40.242 42.059 0.171 0.000 0.985 332 L HN 0.382 nan 8.230 nan 0.000 0.451 333 S N 0.299 115.864 115.700 -0.224 0.000 2.460 333 S HA -0.208 4.260 4.470 -0.002 0.000 0.241 333 S C 1.392 175.940 174.600 -0.087 0.000 1.051 333 S CA 1.332 59.373 58.200 -0.266 0.000 1.223 333 S CB -0.227 62.831 63.200 -0.236 0.000 1.160 333 S HN 0.261 nan 8.310 nan 0.000 0.424 334 L N -0.365 120.827 121.223 -0.052 0.000 2.636 334 L HA 0.347 4.685 4.340 -0.002 0.000 0.163 334 L C 2.323 179.199 176.870 0.009 0.000 1.052 334 L CA 0.236 55.069 54.840 -0.012 0.000 1.170 334 L CB -0.998 41.058 42.059 -0.005 0.000 1.864 334 L HN 0.656 nan 8.230 nan 0.000 0.472 335 G N -1.696 107.114 108.800 0.016 0.000 2.587 335 G HA2 -0.392 3.566 3.960 -0.002 0.000 0.246 335 G HA3 -0.392 3.566 3.960 -0.002 0.000 0.246 335 G C 0.728 175.640 174.900 0.019 0.000 1.058 335 G CA 0.347 45.459 45.100 0.019 0.000 0.658 335 G HN 0.710 nan 8.290 nan 0.000 0.538 336 C N -0.408 118.908 119.300 0.026 0.000 4.588 336 C HA -0.158 4.301 4.460 -0.002 0.000 0.295 336 C C 1.519 176.525 174.990 0.027 0.000 1.316 336 C CA 0.896 59.930 59.018 0.027 0.000 2.041 336 C CB -2.474 25.276 27.740 0.016 0.000 1.224 336 C HN 0.815 nan 8.230 nan 0.000 0.779 337 D N -0.335 120.089 120.400 0.041 0.000 2.149 337 D HA 0.038 4.677 4.640 -0.002 0.000 0.201 337 D C 0.742 177.071 176.300 0.048 0.000 0.972 337 D CA 1.233 55.264 54.000 0.052 0.000 0.835 337 D CB 0.081 40.918 40.800 0.062 0.000 0.966 337 D HN 0.659 nan 8.370 nan 0.000 0.476 338 c N 1.910 120.525 118.600 0.025 0.000 2.258 338 c HA 0.361 4.929 4.570 -0.002 0.000 0.321 338 c C 0.094 174.110 174.090 -0.124 0.000 1.168 338 c CA -1.539 54.732 56.329 -0.096 0.000 1.531 338 c CB -0.410 42.035 42.510 -0.108 0.000 2.095 338 c HN 0.142 nan 8.230 nan 0.000 0.449 339 K N 2.781 123.097 120.400 -0.140 0.000 2.172 339 K HA 0.619 4.937 4.320 -0.002 0.000 0.276 339 K C 0.625 177.169 176.600 -0.093 0.000 1.013 339 K CA 0.736 56.978 56.287 -0.075 0.000 0.913 339 K CB 0.730 33.215 32.500 -0.024 0.000 1.055 339 K HN 1.051 nan 8.250 nan 0.000 0.461 340 G N 1.027 109.808 108.800 -0.031 0.000 2.447 340 G HA2 -0.190 3.769 3.960 -0.002 0.000 0.220 340 G HA3 -0.190 3.769 3.960 -0.002 0.000 0.220 340 G C -1.191 173.717 174.900 0.014 0.000 1.261 340 G CA -0.554 44.554 45.100 0.012 0.000 1.000 340 G HN 0.467 nan 8.290 nan 0.000 0.515 341 V N 2.107 122.057 119.914 0.060 0.000 2.370 341 V HA 0.361 4.480 4.120 -0.002 0.000 0.257 341 V C 0.637 176.784 176.094 0.087 0.000 1.064 341 V CA -0.248 62.090 62.300 0.064 0.000 0.975 341 V CB 0.145 32.011 31.823 0.071 0.000 1.067 341 V HN 0.543 nan 8.190 nan 0.000 0.485 342 I N 4.180 124.741 120.570 -0.015 0.000 2.498 342 I HA 0.461 4.630 4.170 -0.002 0.000 0.301 342 I C 0.026 176.046 176.117 -0.160 0.000 0.984 342 I CA -0.435 60.771 61.300 -0.155 0.000 1.204 342 I CB 1.430 39.132 38.000 -0.497 0.000 1.362 342 I HN 0.533 nan 8.210 nan 0.000 0.471 343 H N 5.497 124.423 119.070 -0.241 0.000 2.589 343 H HA 0.435 4.989 4.556 -0.002 0.000 0.335 343 H C -1.664 173.491 175.328 -0.290 0.000 1.019 343 H CA -0.324 55.654 56.048 -0.117 0.000 1.213 343 H CB 1.095 30.946 29.762 0.147 0.000 1.472 343 H HN 0.364 nan 8.280 nan 0.000 0.508 344 Y N 3.489 123.792 120.300 0.005 0.000 2.534 344 Y HA 0.466 5.015 4.550 -0.002 0.000 0.329 344 Y C 0.036 175.957 175.900 0.036 0.000 1.154 344 Y CA -0.801 57.317 58.100 0.030 0.000 1.192 344 Y CB 1.693 40.122 38.460 -0.051 0.000 1.275 344 Y HN 0.398 nan 8.280 nan 0.000 0.491 345 L N 1.891 123.213 121.223 0.166 0.000 2.401 345 L HA 0.452 4.791 4.340 -0.002 0.000 0.266 345 L C -1.243 175.546 176.870 -0.135 0.000 0.991 345 L CA -0.990 53.857 54.840 0.011 0.000 0.818 345 L CB 2.138 44.173 42.059 -0.040 0.000 1.321 345 L HN 0.578 nan 8.230 nan 0.000 0.413 346 D N 1.333 121.607 120.400 -0.210 0.000 2.268 346 D HA 0.664 5.303 4.640 -0.002 0.000 0.249 346 D C -0.419 175.490 176.300 -0.652 0.000 1.008 346 D CA -0.200 53.572 54.000 -0.380 0.000 0.939 346 D CB 2.359 42.969 40.800 -0.317 0.000 1.170 346 D HN 0.554 nan 8.370 nan 0.000 0.468 347 A N 1.244 123.585 122.820 -0.798 0.000 2.355 347 A HA 0.593 4.912 4.320 -0.002 0.000 0.324 347 A C -0.968 175.950 177.584 -1.111 0.000 1.117 347 A CA -0.663 50.834 52.037 -0.900 0.000 0.785 347 A CB 1.050 19.551 19.000 -0.831 0.000 1.254 347 A HN 0.556 nan 8.150 nan 0.000 0.453 348 H N 1.213 119.951 119.070 -0.553 0.000 2.609 348 H HA 0.643 5.198 4.556 -0.002 0.000 0.344 348 H C -1.402 173.711 175.328 -0.358 0.000 1.040 348 H CA -0.219 55.580 56.048 -0.416 0.000 1.216 348 H CB 1.253 30.926 29.762 -0.148 0.000 1.529 348 H HN 0.534 nan 8.280 nan 0.000 0.519 349 F N -0.093 120.016 119.950 0.265 0.000 2.764 349 F HA 0.477 5.002 4.527 -0.002 0.000 0.347 349 F C 0.725 176.629 175.800 0.174 0.000 1.151 349 F CA -1.081 57.074 58.000 0.259 0.000 1.021 349 F CB 1.017 40.270 39.000 0.422 0.000 1.438 349 F HN 0.323 nan 8.300 nan 0.000 0.516 350 S N -0.346 115.583 115.700 0.381 0.000 2.532 350 S HA 0.603 5.071 4.470 -0.002 0.000 0.301 350 S C -1.268 173.432 174.600 0.165 0.000 1.083 350 S CA -0.717 57.585 58.200 0.171 0.000 1.025 350 S CB 0.826 64.058 63.200 0.053 0.000 1.056 350 S HN 0.599 nan 8.310 nan 0.000 0.494 351 D N 1.794 122.252 120.400 0.096 0.000 2.478 351 D HA 0.313 4.951 4.640 -0.002 0.000 0.263 351 D C 1.176 177.539 176.300 0.105 0.000 1.153 351 D CA -0.794 53.254 54.000 0.081 0.000 1.038 351 D CB 0.262 41.100 40.800 0.063 0.000 1.120 351 D HN 0.524 nan 8.370 nan 0.000 0.564 352 R N -0.505 120.049 120.500 0.090 0.000 2.117 352 R HA -0.177 4.162 4.340 -0.002 0.000 0.243 352 R C 1.682 178.107 176.300 0.207 0.000 1.143 352 R CA 1.600 57.776 56.100 0.126 0.000 0.968 352 R CB -0.586 29.751 30.300 0.060 0.000 0.863 352 R HN 0.567 nan 8.270 nan 0.000 0.444 353 A N -0.687 122.221 122.820 0.146 0.000 2.167 353 A HA 0.159 4.477 4.320 -0.002 0.000 0.214 353 A C 1.416 179.083 177.584 0.139 0.000 1.151 353 A CA 0.981 53.108 52.037 0.151 0.000 0.735 353 A CB -0.088 18.957 19.000 0.075 0.000 0.802 353 A HN 0.605 nan 8.150 nan 0.000 0.467 354 G N -0.875 107.937 108.800 0.020 0.000 2.159 354 G HA2 -0.165 3.793 3.960 -0.002 0.000 0.227 354 G HA3 -0.165 3.793 3.960 -0.002 0.000 0.227 354 G C -0.427 174.324 174.900 -0.248 0.000 0.986 354 G CA 0.123 44.969 45.100 -0.423 0.000 0.651 354 G HN 0.471 nan 8.290 nan 0.000 0.523 355 D N 1.304 121.651 120.400 -0.089 0.000 2.210 355 D HA 0.454 5.093 4.640 -0.002 0.000 0.249 355 D C -2.427 173.862 176.300 -0.018 0.000 1.078 355 D CA -1.235 52.734 54.000 -0.052 0.000 0.875 355 D CB 1.544 42.335 40.800 -0.014 0.000 1.175 355 D HN 0.037 nan 8.370 nan 0.000 0.440 356 P HA 0.130 nan 4.420 nan 0.000 0.268 356 P C -0.461 176.874 177.300 0.057 0.000 1.204 356 P CA 0.049 63.162 63.100 0.021 0.000 0.768 356 P CB 0.457 32.142 31.700 -0.025 0.000 0.842 357 I N -0.920 119.720 120.570 0.116 0.000 2.569 357 I HA 0.651 4.820 4.170 -0.002 0.000 0.296 357 I C -0.704 175.483 176.117 0.116 0.000 1.028 357 I CA -0.636 60.739 61.300 0.124 0.000 1.082 357 I CB 2.512 40.615 38.000 0.172 0.000 1.264 357 I HN 0.057 nan 8.210 nan 0.000 0.429 358 T N 4.346 118.952 114.554 0.087 0.000 2.863 358 T HA 0.445 4.794 4.350 -0.002 0.000 0.285 358 T C -0.769 173.910 174.700 -0.036 0.000 1.009 358 T CA -0.567 61.552 62.100 0.031 0.000 0.989 358 T CB 2.292 71.230 68.868 0.118 0.000 1.004 358 T HN 0.550 nan 8.240 nan 0.000 0.455 359 V N 4.576 124.396 119.914 -0.156 0.000 2.326 359 V HA 0.458 4.577 4.120 -0.002 0.000 0.281 359 V C -0.367 175.623 176.094 -0.172 0.000 1.015 359 V CA -0.746 61.501 62.300 -0.089 0.000 0.823 359 V CB 0.609 32.434 31.823 0.004 0.000 1.009 359 V HN 0.730 nan 8.190 nan 0.000 0.436 360 K N 4.817 125.143 120.400 -0.123 0.000 2.237 360 K HA 0.348 4.667 4.320 -0.002 0.000 0.270 360 K C 0.514 177.006 176.600 -0.180 0.000 1.015 360 K CA 0.028 56.223 56.287 -0.154 0.000 0.949 360 K CB 0.308 32.732 32.500 -0.125 0.000 0.976 360 K HN 0.876 nan 8.250 nan 0.000 0.472 361 N N 0.439 119.016 118.700 -0.204 0.000 2.725 361 N HA -0.263 4.476 4.740 -0.002 0.000 0.251 361 N C 0.378 175.841 175.510 -0.077 0.000 1.031 361 N CA 0.180 53.106 53.050 -0.207 0.000 0.720 361 N CB -0.687 37.451 38.487 -0.581 0.000 0.930 361 N HN 0.738 nan 8.380 nan 0.000 0.543 362 A N -0.492 122.243 122.820 -0.142 0.000 1.968 362 A HA 0.148 4.467 4.320 -0.002 0.000 0.217 362 A C 0.904 178.439 177.584 -0.081 0.000 1.169 362 A CA 1.100 53.034 52.037 -0.172 0.000 0.638 362 A CB 0.638 19.342 19.000 -0.494 0.000 0.812 362 A HN 0.174 nan 8.150 nan 0.000 0.446 363 V N -0.022 119.854 119.914 -0.064 0.000 2.487 363 V HA 0.396 4.515 4.120 -0.002 0.000 0.298 363 V C -0.214 175.962 176.094 0.138 0.000 1.028 363 V CA -0.847 61.483 62.300 0.049 0.000 0.860 363 V CB 0.977 32.798 31.823 -0.002 0.000 0.991 363 V HN 0.552 nan 8.190 nan 0.000 0.427 364 c N 5.928 124.602 118.600 0.123 0.000 2.411 364 c HA 0.884 5.453 4.570 -0.002 0.000 0.330 364 c C -0.538 173.561 174.090 0.015 0.000 1.224 364 c CA -0.633 55.697 56.329 0.002 0.000 1.770 364 c CB 0.022 42.520 42.510 -0.021 0.000 2.297 364 c HN 0.795 nan 8.230 nan 0.000 0.507 365 I N 5.970 126.506 120.570 -0.058 0.000 2.545 365 I HA 0.646 4.814 4.170 -0.002 0.000 0.292 365 I C -0.351 175.752 176.117 -0.023 0.000 1.040 365 I CA -0.123 61.113 61.300 -0.107 0.000 1.068 365 I CB 1.906 39.711 38.000 -0.324 0.000 1.251 365 I HN 0.988 nan 8.210 nan 0.000 0.424 366 H N 3.786 122.681 119.070 -0.292 0.000 2.935 366 H HA 0.423 4.978 4.556 -0.002 0.000 0.297 366 H C -2.049 173.210 175.328 -0.116 0.000 1.423 366 H CA -1.155 54.842 56.048 -0.084 0.000 1.161 366 H CB 1.080 30.847 29.762 0.008 0.000 1.841 366 H HN 0.634 nan 8.280 nan 0.000 0.506 367 E N 1.137 121.339 120.200 0.003 0.000 2.207 367 E HA 0.657 5.006 4.350 -0.002 0.000 0.270 367 E C -0.967 175.637 176.600 0.007 0.000 0.927 367 E CA -0.950 55.394 56.400 -0.094 0.000 0.799 367 E CB 2.761 32.554 29.700 0.155 0.000 1.172 367 E HN 0.640 nan 8.360 nan 0.000 0.404 368 E N 0.848 121.030 120.200 -0.029 0.000 2.416 368 E HA 0.161 4.510 4.350 -0.002 0.000 0.273 368 E C -1.317 175.317 176.600 0.057 0.000 0.935 368 E CA -0.950 55.474 56.400 0.040 0.000 0.784 368 E CB 1.964 31.673 29.700 0.015 0.000 1.301 368 E HN 0.554 nan 8.360 nan 0.000 0.454 369 D N 0.797 121.232 120.400 0.059 0.000 2.372 369 D HA -0.001 4.638 4.640 -0.002 0.000 0.243 369 D C -0.719 175.601 176.300 0.033 0.000 1.121 369 D CA 0.328 54.360 54.000 0.053 0.000 0.898 369 D CB 1.054 41.877 40.800 0.039 0.000 1.202 369 D HN 0.363 nan 8.370 nan 0.000 0.428 370 D N 1.695 122.115 120.400 0.034 0.000 2.895 370 D HA 0.321 4.959 4.640 -0.002 0.000 0.350 370 D C 0.517 176.821 176.300 0.008 0.000 1.389 370 D CA 0.415 54.426 54.000 0.018 0.000 0.812 370 D CB -0.103 40.718 40.800 0.035 0.000 1.164 370 D HN 0.726 nan 8.370 nan 0.000 0.455 371 G N 0.279 109.079 108.800 0.001 0.000 2.562 371 G HA2 -0.257 3.702 3.960 -0.002 0.000 0.250 371 G HA3 -0.257 3.702 3.960 -0.002 0.000 0.250 371 G C -0.353 174.534 174.900 -0.022 0.000 1.269 371 G CA -0.218 44.877 45.100 -0.009 0.000 0.919 371 G HN 0.320 nan 8.290 nan 0.000 0.574 372 L N 0.388 121.594 121.223 -0.028 0.000 2.371 372 L HA 0.417 4.756 4.340 -0.002 0.000 0.272 372 L C 1.717 178.541 176.870 -0.076 0.000 1.124 372 L CA -0.691 54.115 54.840 -0.057 0.000 0.816 372 L CB 1.189 43.231 42.059 -0.028 0.000 1.129 372 L HN 0.581 nan 8.230 nan 0.000 0.448 373 L N 3.858 124.959 121.223 -0.204 0.000 2.168 373 L HA 0.249 4.588 4.340 -0.002 0.000 0.203 373 L C -0.152 176.649 176.870 -0.115 0.000 1.078 373 L CA 1.321 56.016 54.840 -0.242 0.000 0.780 373 L CB 0.191 41.934 42.059 -0.528 0.000 0.939 373 L HN 0.574 nan 8.230 nan 0.000 0.451 374 F N -2.613 117.359 119.950 0.037 0.000 2.770 374 F HA 0.582 5.108 4.527 -0.002 0.000 0.313 374 F C -0.810 175.020 175.800 0.050 0.000 1.154 374 F CA -1.739 56.283 58.000 0.038 0.000 0.923 374 F CB 0.556 39.574 39.000 0.031 0.000 1.301 374 F HN -0.177 nan 8.300 nan 0.000 0.449 375 K N 0.786 121.397 120.400 0.353 0.000 2.578 375 K HA 0.601 4.920 4.320 -0.002 0.000 0.269 375 K C -2.564 174.194 176.600 0.264 0.000 0.941 375 K CA -0.829 55.612 56.287 0.257 0.000 0.847 375 K CB 2.347 34.923 32.500 0.127 0.000 1.397 375 K HN 1.117 nan 8.250 nan 0.000 0.422 376 H N 0.067 119.206 119.070 0.115 0.000 3.129 376 H HA 0.454 5.008 4.556 -0.002 0.000 0.342 376 H C -2.009 173.379 175.328 0.100 0.000 1.092 376 H CA -0.246 55.853 56.048 0.086 0.000 1.310 376 H CB 1.874 31.680 29.762 0.073 0.000 1.932 376 H HN 0.512 nan 8.280 nan 0.000 0.507 377 S N 3.358 118.701 115.700 -0.595 0.000 2.542 377 S HA 0.238 4.707 4.470 -0.002 0.000 0.293 377 S C -1.233 173.184 174.600 -0.304 0.000 1.089 377 S CA -0.916 57.110 58.200 -0.290 0.000 0.961 377 S CB 1.686 64.863 63.200 -0.039 0.000 1.062 377 S HN 0.664 nan 8.310 nan 0.000 0.483 378 D N 1.567 121.924 120.400 -0.073 0.000 2.280 378 D HA 0.222 4.860 4.640 -0.002 0.000 0.243 378 D C 0.845 177.137 176.300 -0.012 0.000 1.129 378 D CA -0.812 53.154 54.000 -0.055 0.000 0.848 378 D CB 0.587 41.313 40.800 -0.124 0.000 1.107 378 D HN 0.448 nan 8.370 nan 0.000 0.471 379 F N 3.639 123.617 119.950 0.047 0.000 2.365 379 F HA 0.062 4.587 4.527 -0.002 0.000 0.300 379 F C 1.830 177.480 175.800 -0.250 0.000 1.090 379 F CA 0.346 58.201 58.000 -0.242 0.000 1.408 379 F CB -0.347 38.616 39.000 -0.062 0.000 1.060 379 F HN 0.222 nan 8.300 nan 0.000 0.534 380 R N 0.961 120.902 120.500 -0.931 0.000 2.105 380 R HA -0.155 4.183 4.340 -0.002 0.000 0.239 380 R C 0.415 176.550 176.300 -0.275 0.000 1.135 380 R CA 1.647 57.386 56.100 -0.601 0.000 0.967 380 R CB -0.775 29.169 30.300 -0.594 0.000 0.861 380 R HN 0.538 nan 8.270 nan 0.000 0.442 381 D N -1.606 118.651 120.400 -0.238 0.000 2.772 381 D HA 0.018 4.657 4.640 -0.002 0.000 0.272 381 D C -0.550 175.652 176.300 -0.162 0.000 1.314 381 D CA -0.493 53.417 54.000 -0.149 0.000 0.835 381 D CB -0.795 39.948 40.800 -0.095 0.000 1.080 381 D HN 0.122 nan 8.370 nan 0.000 0.482 382 N N 1.072 119.597 118.700 -0.292 0.000 2.727 382 N HA -0.283 4.455 4.740 -0.002 0.000 0.249 382 N C -0.671 174.621 175.510 -0.363 0.000 1.048 382 N CA 0.308 53.084 53.050 -0.456 0.000 0.714 382 N CB -0.882 37.479 38.487 -0.210 0.000 0.959 382 N HN 0.220 nan 8.380 nan 0.000 0.544 383 F N -4.637 115.317 119.950 0.006 0.000 2.840 383 F HA -0.329 4.196 4.527 -0.002 0.000 0.310 383 F C 1.693 177.499 175.800 0.011 0.000 0.688 383 F CA 0.810 58.807 58.000 -0.005 0.000 1.286 383 F CB -2.198 36.806 39.000 0.006 0.000 1.612 383 F HN 0.309 nan 8.300 nan 0.000 0.335 384 A N -1.059 121.830 122.820 0.116 0.000 1.898 384 A HA -0.029 4.290 4.320 -0.002 0.000 0.216 384 A C 1.477 179.134 177.584 0.122 0.000 1.181 384 A CA 1.912 54.015 52.037 0.110 0.000 0.620 384 A CB -0.485 18.544 19.000 0.048 0.000 0.819 384 A HN 0.347 nan 8.150 nan 0.000 0.442 385 T N 1.034 115.630 114.554 0.070 0.000 2.738 385 T HA 0.441 4.790 4.350 -0.002 0.000 0.293 385 T C -0.259 174.487 174.700 0.077 0.000 0.913 385 T CA 0.589 62.717 62.100 0.047 0.000 1.103 385 T CB 0.162 69.029 68.868 -0.002 0.000 0.880 385 T HN 0.326 nan 8.240 nan 0.000 0.526 386 S N 3.553 119.318 115.700 0.108 0.000 2.537 386 S HA 0.709 5.178 4.470 -0.002 0.000 0.271 386 S C -1.814 172.870 174.600 0.140 0.000 1.148 386 S CA -0.881 57.401 58.200 0.137 0.000 0.868 386 S CB 1.131 64.465 63.200 0.224 0.000 1.115 386 S HN 0.660 nan 8.310 nan 0.000 0.461 387 L N 4.159 125.472 121.223 0.150 0.000 2.438 387 L HA 0.873 5.212 4.340 -0.002 0.000 0.270 387 L C -1.806 175.189 176.870 0.208 0.000 0.972 387 L CA -0.487 54.448 54.840 0.158 0.000 0.831 387 L CB 1.741 43.889 42.059 0.149 0.000 1.273 387 L HN 0.553 nan 8.230 nan 0.000 0.405 388 V N 2.904 122.936 119.914 0.196 0.000 2.577 388 V HA 0.598 4.717 4.120 -0.002 0.000 0.303 388 V C -0.470 175.658 176.094 0.056 0.000 1.042 388 V CA -0.406 61.979 62.300 0.140 0.000 0.872 388 V CB 2.095 33.997 31.823 0.131 0.000 0.998 388 V HN 0.782 nan 8.190 nan 0.000 0.423 389 T N 4.765 119.257 114.554 -0.103 0.000 2.840 389 T HA 0.487 4.836 4.350 -0.002 0.000 0.287 389 T C -0.153 174.359 174.700 -0.314 0.000 0.991 389 T CA -0.644 61.291 62.100 -0.275 0.000 0.964 389 T CB 1.237 69.730 68.868 -0.625 0.000 0.954 389 T HN 0.533 nan 8.240 nan 0.000 0.438 390 R N 1.422 121.823 120.500 -0.165 0.000 2.531 390 R HA 0.708 5.047 4.340 -0.002 0.000 0.273 390 R C 0.070 176.300 176.300 -0.116 0.000 1.070 390 R CA -0.561 55.471 56.100 -0.114 0.000 1.112 390 R CB 0.850 31.125 30.300 -0.042 0.000 1.049 390 R HN 0.688 nan 8.270 nan 0.000 0.508 391 A N 1.038 123.818 122.820 -0.066 0.000 2.312 391 A HA 0.460 4.779 4.320 -0.002 0.000 0.328 391 A C -0.334 177.294 177.584 0.073 0.000 1.158 391 A CA -0.369 51.665 52.037 -0.005 0.000 0.821 391 A CB 1.694 20.699 19.000 0.008 0.000 1.170 391 A HN 0.581 nan 8.150 nan 0.000 0.490 392 T N 0.865 115.520 114.554 0.169 0.000 2.886 392 T HA 0.595 4.944 4.350 -0.002 0.000 0.292 392 T C -0.792 174.151 174.700 0.404 0.000 1.012 392 T CA -0.720 61.531 62.100 0.252 0.000 0.982 392 T CB 0.642 69.692 68.868 0.304 0.000 1.018 392 T HN 0.844 nan 8.240 nan 0.000 0.451 393 K N 3.893 124.419 120.400 0.209 0.000 2.267 393 K HA 0.674 4.993 4.320 -0.002 0.000 0.246 393 K C -1.147 175.240 176.600 -0.355 0.000 0.954 393 K CA -1.212 55.105 56.287 0.050 0.000 0.824 393 K CB 1.784 34.281 32.500 -0.004 0.000 1.167 393 K HN 0.412 nan 8.250 nan 0.000 0.431 394 L N 3.422 124.154 121.223 -0.818 0.000 2.287 394 L HA 0.397 4.735 4.340 -0.002 0.000 0.287 394 L C -1.306 175.286 176.870 -0.462 0.000 1.022 394 L CA -0.698 53.544 54.840 -0.996 0.000 0.814 394 L CB 1.544 42.568 42.059 -1.726 0.000 1.217 394 L HN 0.584 nan 8.230 nan 0.000 0.420 395 V N 5.976 125.616 119.914 -0.458 0.000 2.417 395 V HA 0.419 4.538 4.120 -0.002 0.000 0.291 395 V C -0.050 175.993 176.094 -0.086 0.000 1.024 395 V CA -0.685 61.482 62.300 -0.222 0.000 0.861 395 V CB 1.995 33.650 31.823 -0.279 0.000 0.985 395 V HN 0.508 nan 8.190 nan 0.000 0.436 396 V N 3.994 123.968 119.914 0.100 0.000 2.334 396 V HA 0.631 4.750 4.120 -0.002 0.000 0.281 396 V C 0.088 176.328 176.094 0.244 0.000 1.016 396 V CA -0.050 62.338 62.300 0.146 0.000 0.832 396 V CB 1.445 33.380 31.823 0.188 0.000 0.999 396 V HN 0.892 nan 8.190 nan 0.000 0.439 397 S N 4.250 120.055 115.700 0.175 0.000 2.632 397 S HA 0.874 5.343 4.470 -0.002 0.000 0.289 397 S C -1.066 173.589 174.600 0.091 0.000 1.115 397 S CA -0.570 57.677 58.200 0.079 0.000 0.889 397 S CB 2.161 65.337 63.200 -0.040 0.000 1.116 397 S HN 0.924 nan 8.310 nan 0.000 0.486 398 Q N 1.708 121.529 119.800 0.035 0.000 2.482 398 Q HA 0.711 5.049 4.340 -0.002 0.000 0.286 398 Q C -1.786 174.242 176.000 0.046 0.000 1.007 398 Q CA -0.946 54.941 55.803 0.140 0.000 0.801 398 Q CB 1.402 30.350 28.738 0.350 0.000 1.455 398 Q HN 0.630 nan 8.270 nan 0.000 0.398 399 I N 2.656 123.293 120.570 0.112 0.000 2.512 399 I HA 0.494 4.663 4.170 -0.002 0.000 0.287 399 I C -1.212 175.022 176.117 0.194 0.000 1.069 399 I CA -0.886 60.444 61.300 0.050 0.000 1.056 399 I CB 1.382 39.379 38.000 -0.004 0.000 1.229 399 I HN 0.691 nan 8.210 nan 0.000 0.429 400 F N 3.126 123.162 119.950 0.142 0.000 2.538 400 F HA 0.802 5.328 4.527 -0.002 0.000 0.325 400 F C -0.512 175.390 175.800 0.171 0.000 1.066 400 F CA -0.805 57.291 58.000 0.160 0.000 0.946 400 F CB 1.482 40.581 39.000 0.164 0.000 1.199 400 F HN 0.137 nan 8.300 nan 0.000 0.473 401 T N 2.293 117.079 114.554 0.388 0.000 2.779 401 T HA 0.675 5.024 4.350 -0.002 0.000 0.280 401 T C -0.396 174.476 174.700 0.287 0.000 0.987 401 T CA -0.439 61.803 62.100 0.236 0.000 0.966 401 T CB 1.218 70.167 68.868 0.135 0.000 0.933 401 T HN 0.910 nan 8.240 nan 0.000 0.442 402 A N 2.790 125.764 122.820 0.255 0.000 2.801 402 A HA 0.757 5.076 4.320 -0.002 0.000 0.344 402 A C 1.182 178.751 177.584 -0.025 0.000 1.322 402 A CA 0.073 52.184 52.037 0.122 0.000 0.913 402 A CB -0.989 18.195 19.000 0.306 0.000 1.140 402 A HN 1.477 nan 8.150 nan 0.000 0.487 403 A N 1.854 124.636 122.820 -0.064 0.000 4.919 403 A HA -0.305 4.014 4.320 -0.002 0.000 0.331 403 A C 0.987 178.608 177.584 0.061 0.000 1.849 403 A CA 1.648 53.687 52.037 0.003 0.000 0.713 403 A CB -2.042 16.946 19.000 -0.020 0.000 1.393 403 A HN 1.493 nan 8.150 nan 0.000 0.393 407 Y N 0.249 120.215 120.300 -0.557 0.000 2.328 407 Y HA 0.368 4.917 4.550 -0.002 0.000 0.333 407 Y C 0.015 175.633 175.900 -0.469 0.000 0.958 407 Y CA -0.702 57.044 58.100 -0.590 0.000 1.167 407 Y CB 1.389 39.237 38.460 -1.018 0.000 1.151 407 Y HN 0.482 nan 8.280 nan 0.000 0.470 408 C N 5.851 125.046 119.300 -0.175 0.000 2.255 408 C HA 0.577 5.036 4.460 -0.002 0.000 0.326 408 C C -0.009 174.811 174.990 -0.283 0.000 1.258 408 C CA -1.175 57.716 59.018 -0.212 0.000 1.676 408 C CB -1.185 26.529 27.740 -0.043 0.000 2.314 408 C HN 0.634 nan 8.230 nan 0.000 0.509 409 L N 3.921 124.906 121.223 -0.396 0.000 2.296 409 L HA 0.522 4.861 4.340 -0.002 0.000 0.286 409 L C -1.058 175.487 176.870 -0.542 0.000 1.023 409 L CA -0.441 54.197 54.840 -0.336 0.000 0.812 409 L CB 0.671 42.678 42.059 -0.087 0.000 1.223 409 L HN 0.595 nan 8.230 nan 0.000 0.421 410 Y N 0.804 120.965 120.300 -0.231 0.000 2.332 410 Y HA 0.316 4.865 4.550 -0.002 0.000 0.326 410 Y C -0.860 174.861 175.900 -0.298 0.000 0.978 410 Y CA -0.737 57.271 58.100 -0.154 0.000 1.205 410 Y CB 1.099 39.493 38.460 -0.110 0.000 1.131 410 Y HN 0.462 nan 8.280 nan 0.000 0.462 411 W N 3.649 124.961 121.300 0.019 0.000 2.331 411 W HA 0.639 5.298 4.660 -0.002 0.000 0.306 411 W C -0.908 175.538 176.519 -0.122 0.000 1.162 411 W CA -0.745 56.537 57.345 -0.105 0.000 1.232 411 W CB 1.141 30.542 29.460 -0.098 0.000 1.235 411 W HN 0.140 nan 8.180 nan 0.000 0.479 412 V N 5.258 125.118 119.914 -0.090 0.000 2.409 412 V HA 0.410 4.529 4.120 -0.002 0.000 0.291 412 V C -0.578 175.341 176.094 -0.292 0.000 1.020 412 V CA -1.124 61.101 62.300 -0.125 0.000 0.848 412 V CB 0.666 32.420 31.823 -0.115 0.000 0.990 412 V HN 0.199 nan 8.190 nan 0.000 0.430 413 F N 4.618 124.437 119.950 -0.218 0.000 2.421 413 F HA 0.716 5.242 4.527 -0.002 0.000 0.337 413 F C 0.358 176.255 175.800 0.162 0.000 1.105 413 F CA -0.422 57.471 58.000 -0.179 0.000 1.049 413 F CB 1.654 40.431 39.000 -0.371 0.000 1.139 413 F HN 0.280 nan 8.300 nan 0.000 0.479 414 M N 2.061 121.986 119.600 0.542 0.000 2.662 414 M HA 0.318 4.796 4.480 -0.002 0.000 0.310 414 M C 0.554 177.271 176.300 0.695 0.000 1.204 414 M CA -0.626 55.017 55.300 0.571 0.000 0.891 414 M CB 2.129 34.906 32.600 0.294 0.000 1.732 414 M HN 0.572 nan 8.290 nan 0.000 0.467 415 Q N 0.791 120.873 119.800 0.469 0.000 2.515 415 Q HA -0.098 4.241 4.340 -0.002 0.000 0.212 415 Q C 0.193 176.292 176.000 0.166 0.000 0.970 415 Q CA 0.589 56.543 55.803 0.251 0.000 0.941 415 Q CB -0.067 28.741 28.738 0.116 0.000 0.998 415 Q HN 0.603 nan 8.270 nan 0.000 0.518 416 D N -1.630 118.885 120.400 0.191 0.000 2.363 416 D HA 0.078 4.717 4.640 -0.002 0.000 0.214 416 D C 1.111 177.445 176.300 0.057 0.000 1.093 416 D CA 0.526 54.580 54.000 0.090 0.000 0.837 416 D CB 0.372 41.238 40.800 0.111 0.000 0.948 416 D HN 0.193 nan 8.370 nan 0.000 0.507 417 G N -0.087 108.828 108.800 0.192 0.000 2.176 417 G HA2 -0.168 3.790 3.960 -0.002 0.000 0.253 417 G HA3 -0.168 3.790 3.960 -0.002 0.000 0.253 417 G C 0.524 175.770 174.900 0.577 0.000 0.979 417 G CA 0.147 45.407 45.100 0.267 0.000 0.641 417 G HN 0.818 nan 8.290 nan 0.000 0.530 418 A N -0.248 122.814 122.820 0.402 0.000 2.304 418 A HA 0.797 5.116 4.320 -0.002 0.000 0.271 418 A C 0.173 177.899 177.584 0.237 0.000 1.091 418 A CA -0.023 52.194 52.037 0.301 0.000 0.812 418 A CB 0.548 19.631 19.000 0.138 0.000 1.056 418 A HN 0.805 nan 8.150 nan 0.000 0.489 419 I N 0.907 121.531 120.570 0.090 0.000 2.466 419 I HA 0.465 4.634 4.170 -0.002 0.000 0.289 419 I C 0.145 176.153 176.117 -0.183 0.000 1.026 419 I CA -0.333 60.823 61.300 -0.240 0.000 1.078 419 I CB 1.894 39.676 38.000 -0.363 0.000 1.249 419 I HN 0.778 nan 8.210 nan 0.000 0.429 420 R N 6.151 126.502 120.500 -0.249 0.000 2.740 420 R HA 0.662 5.001 4.340 -0.002 0.000 0.282 420 R C -1.824 174.302 176.300 -0.290 0.000 0.969 420 R CA -0.725 55.246 56.100 -0.215 0.000 0.918 420 R CB 2.211 32.417 30.300 -0.155 0.000 1.175 420 R HN 0.582 nan 8.270 nan 0.000 0.464 421 L N 3.860 124.863 121.223 -0.367 0.000 2.319 421 L HA 0.461 4.800 4.340 -0.002 0.000 0.281 421 L C -1.491 175.134 176.870 -0.407 0.000 1.005 421 L CA -0.630 53.873 54.840 -0.562 0.000 0.828 421 L CB 1.641 43.220 42.059 -0.800 0.000 1.227 421 L HN 0.710 nan 8.230 nan 0.000 0.415 422 D N 6.119 126.338 120.400 -0.302 0.000 2.256 422 D HA 0.552 5.191 4.640 -0.002 0.000 0.246 422 D C -0.430 175.829 176.300 -0.068 0.000 1.042 422 D CA -0.037 53.865 54.000 -0.163 0.000 0.841 422 D CB 2.877 43.597 40.800 -0.134 0.000 1.223 422 D HN 0.359 nan 8.370 nan 0.000 0.470 423 I N 1.540 122.064 120.570 -0.077 0.000 2.545 423 I HA 0.368 4.537 4.170 -0.002 0.000 0.292 423 I C -0.053 176.055 176.117 -0.015 0.000 1.040 423 I CA -0.747 60.518 61.300 -0.059 0.000 1.068 423 I CB 2.112 39.981 38.000 -0.219 0.000 1.251 423 I HN -0.050 nan 8.210 nan 0.000 0.424 424 R N 6.429 126.952 120.500 0.038 0.000 2.439 424 R HA 0.619 4.958 4.340 -0.002 0.000 0.310 424 R C -1.320 174.913 176.300 -0.112 0.000 0.955 424 R CA -0.832 55.258 56.100 -0.018 0.000 0.853 424 R CB 2.161 32.491 30.300 0.050 0.000 1.171 424 R HN 0.493 nan 8.270 nan 0.000 0.449 425 L N 2.092 123.201 121.223 -0.189 0.000 2.289 425 L HA 0.512 4.850 4.340 -0.002 0.000 0.285 425 L C 0.617 177.321 176.870 -0.276 0.000 1.049 425 L CA -0.230 54.407 54.840 -0.339 0.000 0.804 425 L CB 1.628 43.425 42.059 -0.436 0.000 1.195 425 L HN 0.655 nan 8.230 nan 0.000 0.428 426 T N 0.912 115.283 114.554 -0.306 0.000 2.598 426 T HA 0.816 5.165 4.350 -0.002 0.000 0.289 426 T C -0.096 174.459 174.700 -0.241 0.000 1.056 426 T CA 0.407 62.372 62.100 -0.226 0.000 1.088 426 T CB 1.456 70.214 68.868 -0.183 0.000 1.519 426 T HN 1.011 nan 8.240 nan 0.000 0.488 427 G N 0.308 108.975 108.800 -0.221 0.000 2.466 427 G HA2 -0.023 3.936 3.960 -0.002 0.000 0.218 427 G HA3 -0.023 3.936 3.960 -0.002 0.000 0.218 427 G C -1.086 173.681 174.900 -0.222 0.000 1.237 427 G CA -0.197 44.771 45.100 -0.220 0.000 0.954 427 G HN 0.933 nan 8.290 nan 0.000 0.580 428 I N 0.858 121.293 120.570 -0.224 0.000 2.569 428 I HA 0.454 4.623 4.170 -0.002 0.000 0.296 428 I C 0.711 176.734 176.117 -0.156 0.000 1.028 428 I CA -0.888 60.271 61.300 -0.235 0.000 1.082 428 I CB 1.801 39.550 38.000 -0.419 0.000 1.264 428 I HN 0.504 nan 8.210 nan 0.000 0.429 429 L N 4.719 125.957 121.223 0.025 0.000 2.483 429 L HA 0.039 4.378 4.340 -0.002 0.000 0.276 429 L C 0.854 177.752 176.870 0.047 0.000 1.213 429 L CA 0.222 55.131 54.840 0.114 0.000 0.843 429 L CB -0.009 42.180 42.059 0.216 0.000 1.107 429 L HN 0.661 nan 8.230 nan 0.000 0.487 430 N N 1.653 120.416 118.700 0.105 0.000 2.497 430 N HA 0.110 4.848 4.740 -0.002 0.000 0.271 430 N C -0.801 174.786 175.510 0.128 0.000 1.142 430 N CA -0.151 52.981 53.050 0.136 0.000 0.965 430 N CB 0.984 39.561 38.487 0.151 0.000 1.077 430 N HN 0.693 nan 8.380 nan 0.000 0.462 431 T N 0.669 115.356 114.554 0.222 0.000 2.906 431 T HA 0.436 4.785 4.350 -0.002 0.000 0.295 431 T C -1.088 173.690 174.700 0.131 0.000 1.061 431 T CA -0.735 61.452 62.100 0.145 0.000 1.000 431 T CB 1.584 70.593 68.868 0.234 0.000 1.103 431 T HN 0.487 nan 8.240 nan 0.000 0.486 432 Y N 1.273 121.437 120.300 -0.227 0.000 2.576 432 Y HA 0.682 5.231 4.550 -0.002 0.000 0.346 432 Y C -0.576 175.225 175.900 -0.165 0.000 1.018 432 Y CA -2.198 55.748 58.100 -0.256 0.000 1.050 432 Y CB 1.519 39.714 38.460 -0.442 0.000 1.280 432 Y HN 1.003 nan 8.280 nan 0.000 0.474 433 I N 4.464 124.422 120.570 -1.020 0.000 2.696 433 I HA 0.263 4.431 4.170 -0.002 0.000 0.284 433 I C -1.325 174.518 176.117 -0.456 0.000 1.129 433 I CA -0.313 60.597 61.300 -0.648 0.000 1.410 433 I CB 0.582 38.217 38.000 -0.609 0.000 1.399 433 I HN 0.610 nan 8.210 nan 0.000 0.579 434 L N 7.066 128.151 121.223 -0.230 0.000 2.409 434 L HA 0.633 4.972 4.340 -0.002 0.000 0.272 434 L C 0.000 176.822 176.870 -0.080 0.000 0.980 434 L CA -0.113 54.663 54.840 -0.106 0.000 0.826 434 L CB 1.571 43.586 42.059 -0.074 0.000 1.268 434 L HN 0.628 nan 8.230 nan 0.000 0.407 435 G N 2.393 111.171 108.800 -0.036 0.000 2.594 435 G HA2 0.110 4.069 3.960 -0.002 0.000 0.243 435 G HA3 0.110 4.069 3.960 -0.002 0.000 0.243 435 G C 0.361 175.249 174.900 -0.020 0.000 1.229 435 G CA -0.164 44.923 45.100 -0.023 0.000 0.843 435 G HN 0.802 nan 8.290 nan 0.000 0.578 436 D N 0.253 120.645 120.400 -0.012 0.000 2.149 436 D HA -0.149 4.489 4.640 -0.002 0.000 0.198 436 D C 1.816 178.110 176.300 -0.010 0.000 0.990 436 D CA 1.662 55.658 54.000 -0.007 0.000 0.839 436 D CB 0.131 40.935 40.800 0.007 0.000 0.948 436 D HN 0.669 nan 8.370 nan 0.000 0.460 437 D N 0.242 120.640 120.400 -0.003 0.000 2.350 437 D HA -0.058 4.581 4.640 -0.002 0.000 0.213 437 D C 0.596 176.899 176.300 0.005 0.000 1.031 437 D CA -0.026 53.974 54.000 -0.000 0.000 0.861 437 D CB -0.135 40.668 40.800 0.004 0.000 0.926 437 D HN 0.178 nan 8.370 nan 0.000 0.520 438 E N 0.940 121.146 120.200 0.009 0.000 2.338 438 E HA 0.076 4.425 4.350 -0.002 0.000 0.272 438 E C -0.621 175.990 176.600 0.018 0.000 1.029 438 E CA -0.394 56.020 56.400 0.025 0.000 0.872 438 E CB 0.848 30.572 29.700 0.040 0.000 1.015 438 E HN -0.035 nan 8.360 nan 0.000 0.417 439 E N 2.840 123.055 120.200 0.025 0.000 2.200 439 E HA 0.221 4.569 4.350 -0.002 0.000 0.283 439 E C -0.164 176.456 176.600 0.033 0.000 1.015 439 E CA -0.051 56.355 56.400 0.010 0.000 0.819 439 E CB 1.375 31.070 29.700 -0.009 0.000 1.081 439 E HN 0.519 nan 8.360 nan 0.000 0.397 440 A N 4.343 127.180 122.820 0.028 0.000 2.259 440 A HA 0.237 4.556 4.320 -0.002 0.000 0.212 440 A C 1.362 178.976 177.584 0.049 0.000 1.178 440 A CA 0.843 52.924 52.037 0.073 0.000 0.734 440 A CB -1.514 17.520 19.000 0.057 0.000 0.774 440 A HN 1.069 nan 8.150 nan 0.000 0.481 441 G N 0.105 108.885 108.800 -0.033 0.000 2.581 441 G HA2 -0.288 3.671 3.960 -0.002 0.000 0.289 441 G HA3 -0.288 3.671 3.960 -0.002 0.000 0.289 441 G C -0.812 173.921 174.900 -0.279 0.000 1.303 441 G CA 0.268 45.261 45.100 -0.179 0.000 0.931 441 G HN 0.404 nan 8.290 nan 0.000 0.555 442 P HA 0.097 nan 4.420 nan 0.000 0.251 442 P C 1.103 178.220 177.300 -0.305 0.000 1.223 442 P CA 1.247 64.018 63.100 -0.549 0.000 0.796 442 P CB -0.064 31.148 31.700 -0.813 0.000 1.068 443 W N 0.767 122.122 121.300 0.090 0.000 2.905 443 W HA 0.339 4.999 4.660 -0.001 0.000 0.251 443 W C 1.094 177.720 176.519 0.179 0.000 1.305 443 W CA -0.071 57.335 57.345 0.103 0.000 1.465 443 W CB 0.218 29.690 29.460 0.021 0.000 1.122 443 W HN -0.001 nan 8.180 nan 0.000 0.659 444 G N -0.657 108.347 108.800 0.341 0.000 2.606 444 G HA2 0.513 4.472 3.960 -0.002 0.000 0.300 444 G HA3 0.513 4.472 3.960 -0.002 0.000 0.300 444 G C -1.475 173.529 174.900 0.174 0.000 1.360 444 G CA -0.642 44.649 45.100 0.318 0.000 0.783 444 G HN -0.293 nan 8.290 nan 0.000 0.484 445 T N 0.026 114.655 114.554 0.125 0.000 2.861 445 T HA 0.479 4.827 4.350 -0.002 0.000 0.287 445 T C -0.071 174.630 174.700 0.003 0.000 1.003 445 T CA -0.622 61.513 62.100 0.059 0.000 0.977 445 T CB 1.926 70.833 68.868 0.065 0.000 0.996 445 T HN 0.567 nan 8.240 nan 0.000 0.448 446 R N 2.828 123.319 120.500 -0.016 0.000 2.325 446 R HA 0.289 4.628 4.340 -0.002 0.000 0.323 446 R C 1.045 177.306 176.300 -0.066 0.000 1.177 446 R CA -0.216 55.850 56.100 -0.057 0.000 1.018 446 R CB -0.279 29.988 30.300 -0.055 0.000 1.070 446 R HN 0.578 nan 8.270 nan 0.000 0.495 447 V N 2.094 121.934 119.914 -0.123 0.000 3.649 447 V HA 0.263 4.382 4.120 -0.002 0.000 0.275 447 V C -0.224 175.848 176.094 -0.037 0.000 1.281 447 V CA 0.071 62.304 62.300 -0.111 0.000 1.143 447 V CB -0.951 30.730 31.823 -0.237 0.000 0.892 447 V HN 0.677 nan 8.190 nan 0.000 0.441 448 Y N -0.904 119.243 120.300 -0.254 0.000 2.687 448 Y HA 0.556 5.105 4.550 -0.002 0.000 0.338 448 Y C -3.165 172.602 175.900 -0.220 0.000 1.189 448 Y CA -2.240 55.756 58.100 -0.173 0.000 1.097 448 Y CB 1.553 39.934 38.460 -0.131 0.000 1.342 448 Y HN -0.125 nan 8.280 nan 0.000 0.461 449 P HA 0.103 nan 4.420 nan 0.000 0.262 449 P C -0.548 176.504 177.300 -0.413 0.000 1.182 449 P CA 1.190 63.882 63.100 -0.681 0.000 0.761 449 P CB 0.291 31.209 31.700 -1.302 0.000 0.795 450 N N -0.316 118.239 118.700 -0.242 0.000 2.753 450 N HA -0.134 4.605 4.740 -0.002 0.000 0.251 450 N C -0.816 174.604 175.510 -0.149 0.000 1.097 450 N CA 0.760 53.718 53.050 -0.153 0.000 0.786 450 N CB -1.469 36.949 38.487 -0.115 0.000 1.137 450 N HN 0.174 nan 8.380 nan 0.000 0.566 451 V N 1.182 121.011 119.914 -0.141 0.000 2.444 451 V HA 0.313 4.432 4.120 -0.002 0.000 0.294 451 V C 0.267 176.263 176.094 -0.162 0.000 1.022 451 V CA -0.798 61.409 62.300 -0.154 0.000 0.850 451 V CB 1.994 33.700 31.823 -0.195 0.000 0.992 451 V HN 0.197 nan 8.190 nan 0.000 0.426 452 N N 3.231 121.843 118.700 -0.147 0.000 2.476 452 N HA 0.632 5.371 4.740 -0.002 0.000 0.257 452 N C -0.346 175.061 175.510 -0.172 0.000 0.970 452 N CA -0.433 52.550 53.050 -0.111 0.000 0.938 452 N CB 1.213 39.674 38.487 -0.043 0.000 1.144 452 N HN 0.831 nan 8.380 nan 0.000 0.500 453 A N 3.608 126.372 122.820 -0.092 0.000 2.294 453 A HA 0.247 4.566 4.320 -0.002 0.000 0.316 453 A C -0.575 177.086 177.584 0.129 0.000 1.359 453 A CA -0.429 51.593 52.037 -0.025 0.000 0.956 453 A CB -0.161 18.829 19.000 -0.016 0.000 1.155 453 A HN 0.840 nan 8.150 nan 0.000 0.544 454 H N 2.143 121.342 119.070 0.215 0.000 2.790 454 H HA 0.055 4.610 4.556 -0.002 0.000 0.358 454 H C 0.229 175.765 175.328 0.346 0.000 1.103 454 H CA -0.382 55.844 56.048 0.296 0.000 1.426 454 H CB 0.683 30.643 29.762 0.330 0.000 1.424 454 H HN 0.658 nan 8.280 nan 0.000 0.599 455 N N 2.854 121.780 118.700 0.376 0.000 2.453 455 N HA 0.024 4.763 4.740 -0.002 0.000 0.253 455 N C -0.140 175.334 175.510 -0.061 0.000 1.252 455 N CA 0.350 53.454 53.050 0.090 0.000 0.917 455 N CB 0.516 39.095 38.487 0.152 0.000 1.117 455 N HN 0.703 nan 8.380 nan 0.000 0.442 456 H N -1.977 116.802 119.070 -0.484 0.000 2.987 456 H HA 0.328 4.882 4.556 -0.002 0.000 0.316 456 H C -1.404 173.608 175.328 -0.526 0.000 1.380 456 H CA -0.764 54.853 56.048 -0.717 0.000 1.160 456 H CB 0.881 29.653 29.762 -1.651 0.000 1.865 456 H HN 0.411 nan 8.280 nan 0.000 0.521 457 Q N 0.486 120.032 119.800 -0.423 0.000 2.351 457 Q HA 0.387 4.725 4.340 -0.002 0.000 0.273 457 Q C -0.824 174.995 176.000 -0.302 0.000 1.077 457 Q CA -1.000 54.621 55.803 -0.304 0.000 0.843 457 Q CB 2.506 31.128 28.738 -0.194 0.000 1.367 457 Q HN 0.517 nan 8.270 nan 0.000 0.449 458 H N 1.655 120.684 119.070 -0.068 0.000 2.762 458 H HA 0.404 4.959 4.556 -0.002 0.000 0.310 458 H C -1.008 174.185 175.328 -0.225 0.000 1.004 458 H CA -0.208 55.786 56.048 -0.090 0.000 1.267 458 H CB 0.695 30.527 29.762 0.117 0.000 1.437 458 H HN 0.364 nan 8.280 nan 0.000 0.498 459 L N 3.936 124.982 121.223 -0.294 0.000 2.346 459 L HA 0.473 4.812 4.340 -0.002 0.000 0.276 459 L C -0.792 175.826 176.870 -0.420 0.000 1.006 459 L CA -0.784 53.927 54.840 -0.215 0.000 0.817 459 L CB 1.377 43.399 42.059 -0.061 0.000 1.272 459 L HN 0.295 nan 8.230 nan 0.000 0.421 460 F N 0.014 119.814 119.950 -0.250 0.000 2.561 460 F HA 0.459 4.985 4.527 -0.002 0.000 0.321 460 F C 0.318 175.974 175.800 -0.241 0.000 1.065 460 F CA -0.834 56.959 58.000 -0.346 0.000 0.934 460 F CB 2.140 40.687 39.000 -0.757 0.000 1.215 460 F HN 0.228 nan 8.300 nan 0.000 0.471 461 S N 3.178 118.783 115.700 -0.157 0.000 2.601 461 S HA 0.426 4.895 4.470 -0.002 0.000 0.312 461 S C -0.897 173.764 174.600 0.102 0.000 1.107 461 S CA -0.582 57.510 58.200 -0.180 0.000 1.129 461 S CB 0.027 62.681 63.200 -0.910 0.000 0.982 461 S HN 0.641 nan 8.310 nan 0.000 0.469 462 L N 5.811 127.218 121.223 0.306 0.000 2.361 462 L HA 0.447 4.785 4.340 -0.002 0.000 0.278 462 L C 0.291 177.197 176.870 0.060 0.000 1.113 462 L CA -0.250 54.744 54.840 0.257 0.000 0.849 462 L CB 0.522 42.762 42.059 0.303 0.000 1.155 462 L HN 0.661 nan 8.230 nan 0.000 0.452 463 R N 6.358 126.788 120.500 -0.118 0.000 2.265 463 R HA 0.522 4.861 4.340 -0.002 0.000 0.328 463 R C -1.199 174.869 176.300 -0.386 0.000 0.969 463 R CA -0.526 55.270 56.100 -0.506 0.000 0.832 463 R CB 0.804 30.770 30.300 -0.556 0.000 1.139 463 R HN 0.636 nan 8.270 nan 0.000 0.457 464 I N 3.638 123.984 120.570 -0.373 0.000 2.362 464 I HA 0.173 4.342 4.170 -0.002 0.000 0.289 464 I C -0.599 175.399 176.117 -0.198 0.000 0.994 464 I CA -0.726 60.378 61.300 -0.327 0.000 1.158 464 I CB 1.854 39.629 38.000 -0.374 0.000 1.315 464 I HN 0.517 nan 8.210 nan 0.000 0.451 465 D N 9.642 129.958 120.400 -0.139 0.000 2.473 465 D HA 0.319 4.958 4.640 -0.002 0.000 0.226 465 D C -2.519 173.836 176.300 0.092 0.000 1.089 465 D CA -2.048 51.954 54.000 0.004 0.000 0.883 465 D CB 1.426 42.261 40.800 0.058 0.000 1.029 465 D HN 0.155 nan 8.370 nan 0.000 0.517 466 P HA 0.337 nan 4.420 nan 0.000 0.279 466 P C -0.465 176.909 177.300 0.124 0.000 1.252 466 P CA -0.591 62.656 63.100 0.245 0.000 0.811 466 P CB 1.388 33.221 31.700 0.222 0.000 1.035 467 R N 1.850 122.405 120.500 0.092 0.000 2.533 467 R HA 0.243 4.582 4.340 -0.002 0.000 0.268 467 R C -0.231 176.079 176.300 0.017 0.000 1.303 467 R CA -0.342 55.783 56.100 0.042 0.000 1.429 467 R CB -0.216 30.120 30.300 0.061 0.000 1.361 467 R HN 0.278 nan 8.270 nan 0.000 0.745 468 I N 2.662 123.246 120.570 0.023 0.000 2.792 468 I HA -0.051 4.118 4.170 -0.002 0.000 0.284 468 I C 0.545 176.763 176.117 0.168 0.000 1.166 468 I CA 1.019 62.367 61.300 0.081 0.000 1.375 468 I CB -0.421 37.668 38.000 0.149 0.000 1.421 468 I HN 0.631 nan 8.210 nan 0.000 0.544 469 D N 4.933 125.486 120.400 0.256 0.000 2.811 469 D HA -0.150 4.489 4.640 -0.002 0.000 0.231 469 D C 0.553 176.881 176.300 0.046 0.000 1.157 469 D CA 1.663 55.739 54.000 0.126 0.000 0.716 469 D CB -0.690 40.085 40.800 -0.041 0.000 1.077 469 D HN 1.205 nan 8.370 nan 0.000 0.428 470 G N -1.037 107.795 108.800 0.053 0.000 2.373 470 G HA2 0.004 3.963 3.960 -0.002 0.000 0.634 470 G HA3 0.004 3.963 3.960 -0.002 0.000 0.634 470 G C -1.168 173.739 174.900 0.013 0.000 1.267 470 G CA -0.271 44.844 45.100 0.025 0.000 1.008 470 G HN 0.195 nan 8.290 nan 0.000 0.497 471 D N 0.648 121.045 120.400 -0.004 0.000 2.264 471 D HA 0.528 5.167 4.640 -0.002 0.000 0.249 471 D C 0.813 177.102 176.300 -0.018 0.000 1.070 471 D CA 1.384 55.372 54.000 -0.019 0.000 0.912 471 D CB 1.268 42.050 40.800 -0.030 0.000 1.193 471 D HN 2.035 nan 8.370 nan 0.000 0.427 472 G N 1.518 110.303 108.800 -0.026 0.000 2.830 472 G HA2 -0.163 3.796 3.960 -0.002 0.000 0.298 472 G HA3 -0.163 3.796 3.960 -0.002 0.000 0.298 472 G C -0.700 174.172 174.900 -0.048 0.000 1.031 472 G CA -0.789 44.294 45.100 -0.028 0.000 1.179 472 G HN 0.415 nan 8.290 nan 0.000 0.527 473 N N -0.339 118.322 118.700 -0.064 0.000 2.453 473 N HA 0.880 5.619 4.740 -0.002 0.000 0.290 473 N C -0.149 175.233 175.510 -0.212 0.000 1.250 473 N CA -0.351 52.622 53.050 -0.127 0.000 0.815 473 N CB 2.172 40.629 38.487 -0.050 0.000 1.381 473 N HN 0.449 nan 8.380 nan 0.000 0.510 474 S N -0.672 114.748 115.700 -0.467 0.000 2.651 474 S HA 0.929 5.397 4.470 -0.002 0.000 0.279 474 S C -1.199 173.155 174.600 -0.410 0.000 1.148 474 S CA -0.703 57.186 58.200 -0.519 0.000 0.837 474 S CB 2.047 64.721 63.200 -0.875 0.000 1.138 474 S HN 0.712 nan 8.310 nan 0.000 0.478 475 A N 0.262 123.062 122.820 -0.033 0.000 2.469 475 A HA 1.009 5.328 4.320 -0.002 0.000 0.299 475 A C -0.963 176.614 177.584 -0.011 0.000 1.098 475 A CA -0.536 51.652 52.037 0.251 0.000 0.737 475 A CB 1.542 20.889 19.000 0.577 0.000 1.312 475 A HN 1.434 nan 8.150 nan 0.000 0.414 476 A N -0.300 122.463 122.820 -0.095 0.000 2.612 476 A HA 0.885 5.204 4.320 -0.002 0.000 0.293 476 A C -0.478 176.949 177.584 -0.262 0.000 1.075 476 A CA 0.029 51.723 52.037 -0.572 0.000 0.680 476 A CB 0.916 19.861 19.000 -0.091 0.000 1.279 476 A HN 2.479 nan 8.150 nan 0.000 0.411 477 A N -0.186 122.468 122.820 -0.278 0.000 2.312 477 A HA 0.625 4.944 4.320 -0.002 0.000 0.326 477 A C -0.432 177.073 177.584 -0.132 0.000 1.172 477 A CA -0.358 51.630 52.037 -0.080 0.000 0.821 477 A CB 0.313 19.401 19.000 0.147 0.000 1.166 477 A HN 1.307 nan 8.150 nan 0.000 0.493 478 C N 2.314 121.499 119.300 -0.192 0.000 2.322 478 C HA 0.614 5.073 4.460 -0.002 0.000 0.324 478 C C -0.854 174.035 174.990 -0.169 0.000 1.249 478 C CA -0.888 58.049 59.018 -0.136 0.000 1.453 478 C CB 0.320 28.007 27.740 -0.089 0.000 2.145 478 C HN 0.788 nan 8.230 nan 0.000 0.466 479 D N 2.191 122.501 120.400 -0.149 0.000 2.391 479 D HA 0.503 5.142 4.640 -0.002 0.000 0.245 479 D C -0.224 175.957 176.300 -0.198 0.000 1.069 479 D CA 0.125 54.023 54.000 -0.171 0.000 0.831 479 D CB 2.158 42.867 40.800 -0.152 0.000 1.204 479 D HN 0.683 nan 8.370 nan 0.000 0.503 480 A N 2.936 125.648 122.820 -0.180 0.000 2.409 480 A HA 0.452 4.771 4.320 -0.002 0.000 0.262 480 A C 0.109 177.549 177.584 -0.239 0.000 1.113 480 A CA 0.032 51.956 52.037 -0.189 0.000 0.790 480 A CB 0.387 19.287 19.000 -0.167 0.000 1.046 480 A HN 0.475 nan 8.150 nan 0.000 0.496 481 K N 1.513 121.724 120.400 -0.316 0.000 2.527 481 K HA 0.446 4.765 4.320 -0.002 0.000 0.260 481 K C -0.754 175.812 176.600 -0.055 0.000 0.937 481 K CA -0.618 55.521 56.287 -0.247 0.000 0.826 481 K CB 2.251 34.548 32.500 -0.338 0.000 1.359 481 K HN 0.618 nan 8.250 nan 0.000 0.434 482 S N 0.800 116.542 115.700 0.070 0.000 2.585 482 S HA 0.065 4.534 4.470 -0.002 0.000 0.273 482 S C 0.198 174.995 174.600 0.328 0.000 1.339 482 S CA -0.444 57.882 58.200 0.210 0.000 1.028 482 S CB 1.222 64.502 63.200 0.133 0.000 0.906 482 S HN 0.593 nan 8.310 nan 0.000 0.528 483 S N 2.616 118.537 115.700 0.367 0.000 2.563 483 S HA 0.088 4.556 4.470 -0.002 0.000 0.284 483 S C -1.178 173.556 174.600 0.223 0.000 1.331 483 S CA -1.036 57.366 58.200 0.337 0.000 1.047 483 S CB 0.298 63.658 63.200 0.266 0.000 0.859 483 S HN 0.569 nan 8.310 nan 0.000 0.514 484 P HA 0.008 nan 4.420 nan 0.000 0.229 484 P C -0.256 176.972 177.300 -0.120 0.000 1.160 484 P CA 0.515 63.599 63.100 -0.027 0.000 0.777 484 P CB -0.095 31.526 31.700 -0.130 0.000 0.814 485 Y N 2.944 123.265 120.300 0.035 0.000 2.425 485 Y HA 0.153 4.702 4.550 -0.002 0.000 0.331 485 Y C -1.244 174.673 175.900 0.027 0.000 1.157 485 Y CA -2.125 55.987 58.100 0.020 0.000 1.372 485 Y CB -0.386 38.078 38.460 0.007 0.000 1.253 485 Y HN 0.051 nan 8.280 nan 0.000 0.536 486 P HA 0.019 nan 4.420 nan 0.000 0.274 486 P C -0.409 176.941 177.300 0.082 0.000 1.246 486 P CA -0.491 62.662 63.100 0.088 0.000 0.795 486 P CB 1.208 32.941 31.700 0.053 0.000 1.006 487 L N 0.934 122.189 121.223 0.054 0.000 2.525 487 L HA 0.099 4.438 4.340 -0.002 0.000 0.278 487 L C 1.490 178.357 176.870 -0.004 0.000 1.218 487 L CA 1.929 56.786 54.840 0.029 0.000 0.878 487 L CB -0.621 41.453 42.059 0.026 0.000 1.127 487 L HN 0.914 nan 8.230 nan 0.000 0.492 488 G N 2.497 111.264 108.800 -0.054 0.000 2.195 488 G HA2 -0.285 3.674 3.960 -0.002 0.000 0.246 488 G HA3 -0.285 3.674 3.960 -0.002 0.000 0.246 488 G C 0.284 175.150 174.900 -0.056 0.000 0.984 488 G CA 0.345 45.396 45.100 -0.081 0.000 0.633 488 G HN 0.937 nan 8.290 nan 0.000 0.525 489 S N 0.334 116.025 115.700 -0.014 0.000 2.617 489 S HA 0.627 5.096 4.470 -0.002 0.000 0.269 489 S C -0.938 173.635 174.600 -0.045 0.000 1.292 489 S CA -0.563 57.640 58.200 0.004 0.000 1.010 489 S CB 2.197 65.452 63.200 0.093 0.000 0.944 489 S HN -0.012 nan 8.310 nan 0.000 0.536 490 P HA -0.041 nan 4.420 nan 0.000 0.218 490 P C 0.707 177.934 177.300 -0.121 0.000 1.148 490 P CA 1.084 64.133 63.100 -0.084 0.000 0.822 490 P CB 0.003 31.656 31.700 -0.079 0.000 0.784 491 E N -1.747 118.330 120.200 -0.204 0.000 2.358 491 E HA -0.026 4.323 4.350 -0.002 0.000 0.195 491 E C 0.709 177.221 176.600 -0.147 0.000 1.010 491 E CA 0.639 56.848 56.400 -0.318 0.000 0.856 491 E CB -0.339 28.822 29.700 -0.897 0.000 0.795 491 E HN 0.095 nan 8.360 nan 0.000 0.504 492 N N -0.382 118.294 118.700 -0.041 0.000 2.639 492 N HA 0.078 4.817 4.740 -0.002 0.000 0.265 492 N C 0.202 175.726 175.510 0.023 0.000 1.689 492 N CA -0.025 53.050 53.050 0.042 0.000 0.813 492 N CB 0.002 38.559 38.487 0.118 0.000 1.353 492 N HN -0.082 nan 8.380 nan 0.000 0.510 493 M N 0.379 119.963 119.600 -0.028 0.000 2.089 493 M HA -0.113 4.366 4.480 -0.002 0.000 0.257 493 M C 0.198 176.308 176.300 -0.317 0.000 1.071 493 M CA 2.080 57.259 55.300 -0.202 0.000 1.096 493 M CB -0.376 32.045 32.600 -0.299 0.000 1.330 493 M HN 0.386 nan 8.290 nan 0.000 0.403 494 Y N -0.660 119.654 120.300 0.022 0.000 2.524 494 Y HA 0.449 4.998 4.550 -0.002 0.000 0.266 494 Y C 1.479 177.405 175.900 0.044 0.000 1.180 494 Y CA 0.039 58.156 58.100 0.029 0.000 1.244 494 Y CB -0.473 38.001 38.460 0.023 0.000 1.125 494 Y HN 0.453 nan 8.280 nan 0.000 0.524 495 G N 1.490 110.378 108.800 0.146 0.000 2.203 495 G HA2 -0.400 3.559 3.960 -0.002 0.000 0.263 495 G HA3 -0.400 3.559 3.960 -0.002 0.000 0.263 495 G C 0.967 175.960 174.900 0.155 0.000 1.012 495 G CA 0.848 46.027 45.100 0.132 0.000 0.749 495 G HN 0.593 nan 8.290 nan 0.000 0.512 496 N N -0.095 118.709 118.700 0.174 0.000 2.299 496 N HA 0.369 5.108 4.740 -0.002 0.000 0.187 496 N C 1.057 176.698 175.510 0.218 0.000 1.099 496 N CA 0.668 53.830 53.050 0.187 0.000 0.867 496 N CB 0.020 38.598 38.487 0.150 0.000 0.974 496 N HN 0.943 nan 8.380 nan 0.000 0.477 497 A N 1.038 123.960 122.820 0.170 0.000 2.520 497 A HA 0.418 4.737 4.320 -0.002 0.000 0.245 497 A C -0.426 177.327 177.584 0.282 0.000 1.072 497 A CA -0.170 51.949 52.037 0.137 0.000 0.761 497 A CB -0.563 18.503 19.000 0.111 0.000 1.004 497 A HN 0.477 nan 8.150 nan 0.000 0.499 498 F N 0.836 120.878 119.950 0.153 0.000 2.654 498 F HA 0.740 5.266 4.527 -0.002 0.000 0.308 498 F C -1.054 174.887 175.800 0.236 0.000 1.108 498 F CA -1.497 56.612 58.000 0.182 0.000 0.957 498 F CB 0.811 39.852 39.000 0.068 0.000 1.309 498 F HN 0.763 nan 8.300 nan 0.000 0.446 499 Y N -0.369 120.097 120.300 0.277 0.000 2.818 499 Y HA 0.803 5.351 4.550 -0.002 0.000 0.322 499 Y C -1.364 174.643 175.900 0.179 0.000 1.323 499 Y CA -1.884 56.301 58.100 0.143 0.000 1.090 499 Y CB 0.964 39.458 38.460 0.056 0.000 1.328 499 Y HN 0.801 nan 8.280 nan 0.000 0.482 500 S N 0.736 116.466 115.700 0.050 0.000 2.438 500 S HA 0.271 4.740 4.470 -0.002 0.000 0.316 500 S C -0.983 173.596 174.600 -0.036 0.000 1.084 500 S CA -0.600 57.558 58.200 -0.070 0.000 1.107 500 S CB 0.159 63.375 63.200 0.027 0.000 0.981 500 S HN 0.699 nan 8.310 nan 0.000 0.466 501 E N 4.183 124.271 120.200 -0.187 0.000 2.130 501 E HA 0.207 4.555 4.350 -0.002 0.000 0.284 501 E C -0.530 176.063 176.600 -0.012 0.000 1.018 501 E CA -0.384 56.016 56.400 0.001 0.000 0.817 501 E CB 0.501 30.178 29.700 -0.038 0.000 1.078 501 E HN 0.528 nan 8.360 nan 0.000 0.396 502 K N 3.431 123.839 120.400 0.014 0.000 2.213 502 K HA 0.239 4.557 4.320 -0.002 0.000 0.270 502 K C -1.197 175.396 176.600 -0.013 0.000 1.002 502 K CA -0.380 55.884 56.287 -0.037 0.000 0.868 502 K CB 1.302 33.750 32.500 -0.086 0.000 1.093 502 K HN 0.320 nan 8.250 nan 0.000 0.454 503 T N 3.581 118.122 114.554 -0.022 0.000 2.893 503 T HA 0.109 4.458 4.350 -0.002 0.000 0.324 503 T C -0.467 174.198 174.700 -0.058 0.000 1.082 503 T CA -0.645 61.472 62.100 0.029 0.000 0.983 503 T CB 0.767 69.706 68.868 0.119 0.000 1.005 503 T HN 0.714 nan 8.240 nan 0.000 0.475 504 T N 1.202 115.763 114.554 0.010 0.000 2.884 504 T HA 0.485 4.833 4.350 -0.002 0.000 0.298 504 T C -0.052 174.726 174.700 0.129 0.000 0.998 504 T CA -0.636 61.480 62.100 0.027 0.000 1.124 504 T CB -0.050 68.954 68.868 0.227 0.000 0.931 504 T HN 0.198 nan 8.240 nan 0.000 0.531 505 F N 2.522 122.599 119.950 0.212 0.000 2.472 505 F HA 0.393 4.918 4.527 -0.002 0.000 0.364 505 F C 1.439 177.308 175.800 0.115 0.000 1.090 505 F CA -1.332 56.758 58.000 0.150 0.000 1.188 505 F CB 0.642 39.730 39.000 0.148 0.000 1.105 505 F HN 0.696 nan 8.300 nan 0.000 0.536 506 K N 0.431 120.998 120.400 0.278 0.000 2.168 506 K HA 0.055 4.374 4.320 -0.002 0.000 0.201 506 K C 0.854 177.536 176.600 0.137 0.000 1.049 506 K CA 0.672 57.062 56.287 0.172 0.000 0.974 506 K CB 0.268 32.848 32.500 0.134 0.000 0.792 506 K HN 0.585 nan 8.250 nan 0.000 0.463 507 T N -0.773 113.855 114.554 0.124 0.000 2.916 507 T HA 0.208 4.557 4.350 -0.002 0.000 0.292 507 T C 1.200 175.927 174.700 0.045 0.000 1.064 507 T CA -0.791 61.354 62.100 0.076 0.000 1.011 507 T CB 1.715 70.614 68.868 0.053 0.000 1.152 507 T HN -0.203 nan 8.240 nan 0.000 0.510 508 V N 3.107 123.033 119.914 0.020 0.000 2.278 508 V HA -0.163 3.956 4.120 -0.002 0.000 0.251 508 V C 2.687 178.723 176.094 -0.097 0.000 1.062 508 V CA 2.465 64.751 62.300 -0.024 0.000 1.038 508 V CB -0.647 31.174 31.823 -0.004 0.000 0.646 508 V HN 0.901 nan 8.190 nan 0.000 0.447 509 K N -0.188 120.171 120.400 -0.069 0.000 2.113 509 K HA -0.266 4.053 4.320 -0.002 0.000 0.208 509 K C 1.798 178.313 176.600 -0.142 0.000 1.047 509 K CA 2.031 58.260 56.287 -0.097 0.000 0.928 509 K CB -0.286 32.188 32.500 -0.043 0.000 0.716 509 K HN 0.531 nan 8.250 nan 0.000 0.446 510 D N 0.023 120.360 120.400 -0.105 0.000 2.178 510 D HA -0.130 4.508 4.640 -0.002 0.000 0.201 510 D C 1.941 177.917 176.300 -0.541 0.000 0.980 510 D CA 1.564 55.496 54.000 -0.113 0.000 0.842 510 D CB -0.092 40.778 40.800 0.116 0.000 0.948 510 D HN 0.380 nan 8.370 nan 0.000 0.472 511 S N 0.260 115.475 115.700 -0.808 0.000 2.461 511 S HA -0.046 4.423 4.470 -0.002 0.000 0.228 511 S C 1.304 175.446 174.600 -0.764 0.000 1.005 511 S CA -0.068 57.259 58.200 -1.455 0.000 0.942 511 S CB -0.528 62.196 63.200 -0.793 0.000 0.776 511 S HN 0.174 nan 8.310 nan 0.000 0.514 512 L N 3.782 124.697 121.223 -0.514 0.000 2.617 512 L HA 0.244 4.583 4.340 -0.002 0.000 0.282 512 L C 0.329 177.055 176.870 -0.240 0.000 1.174 512 L CA -0.161 54.346 54.840 -0.555 0.000 1.016 512 L CB -1.069 40.478 42.059 -0.852 0.000 1.337 512 L HN 0.409 nan 8.230 nan 0.000 0.460 513 T N -1.062 113.506 114.554 0.024 0.000 2.896 513 T HA 0.534 4.883 4.350 -0.002 0.000 0.297 513 T C -0.374 174.613 174.700 0.478 0.000 1.108 513 T CA -1.103 61.182 62.100 0.308 0.000 1.004 513 T CB 2.451 71.594 68.868 0.460 0.000 1.159 513 T HN 0.218 nan 8.240 nan 0.000 0.499 514 N N 0.042 119.030 118.700 0.479 0.000 2.362 514 N HA 0.351 5.089 4.740 -0.002 0.000 0.299 514 N C -1.275 174.602 175.510 0.612 0.000 1.170 514 N CA -0.621 52.729 53.050 0.500 0.000 0.825 514 N CB 1.369 40.033 38.487 0.295 0.000 1.299 514 N HN 0.766 nan 8.380 nan 0.000 0.502 515 Y N 0.972 121.627 120.300 0.592 0.000 2.497 515 Y HA 0.042 4.591 4.550 -0.002 0.000 0.334 515 Y C -0.254 175.769 175.900 0.205 0.000 1.199 515 Y CA 0.497 58.872 58.100 0.459 0.000 1.425 515 Y CB 0.531 39.281 38.460 0.484 0.000 1.291 515 Y HN 0.298 nan 8.280 nan 0.000 0.562 516 E N 3.398 123.087 120.200 -0.851 0.000 2.244 516 E HA 0.140 4.488 4.350 -0.002 0.000 0.260 516 E C 0.346 176.436 176.600 -0.851 0.000 0.884 516 E CA -0.013 56.023 56.400 -0.606 0.000 0.777 516 E CB 1.665 31.186 29.700 -0.298 0.000 1.197 516 E HN 0.780 nan 8.360 nan 0.000 0.416 517 S N 1.493 116.862 115.700 -0.550 0.000 2.423 517 S HA -0.116 4.353 4.470 -0.002 0.000 0.231 517 S C 1.801 176.296 174.600 -0.175 0.000 1.014 517 S CA 0.826 58.864 58.200 -0.270 0.000 0.965 517 S CB -0.020 63.168 63.200 -0.020 0.000 0.785 517 S HN 0.461 nan 8.310 nan 0.000 0.495 518 A N 1.840 124.560 122.820 -0.167 0.000 2.070 518 A HA 0.015 4.334 4.320 -0.002 0.000 0.220 518 A C 2.248 179.750 177.584 -0.136 0.000 1.159 518 A CA 1.710 53.676 52.037 -0.118 0.000 0.656 518 A CB -0.884 18.061 19.000 -0.092 0.000 0.800 518 A HN 0.782 nan 8.150 nan 0.000 0.453 519 T N -5.780 108.664 114.554 -0.183 0.000 3.111 519 T HA 0.429 4.778 4.350 -0.002 0.000 0.284 519 T C 1.091 175.686 174.700 -0.175 0.000 0.983 519 T CA 0.931 62.924 62.100 -0.177 0.000 0.900 519 T CB -0.026 68.734 68.868 -0.179 0.000 1.132 519 T HN 1.630 nan 8.240 nan 0.000 0.531 520 G N 2.801 111.499 108.800 -0.170 0.000 2.356 520 G HA2 -0.348 3.611 3.960 -0.002 0.000 0.296 520 G HA3 -0.348 3.611 3.960 -0.002 0.000 0.296 520 G C 0.036 174.909 174.900 -0.045 0.000 1.022 520 G CA 0.313 45.384 45.100 -0.048 0.000 0.961 520 G HN 0.929 nan 8.290 nan 0.000 0.510 521 R N 0.110 120.481 120.500 -0.215 0.000 2.537 521 R HA 0.337 4.675 4.340 -0.002 0.000 0.281 521 R C 0.841 176.987 176.300 -0.257 0.000 0.988 521 R CA 0.944 56.860 56.100 -0.307 0.000 1.077 521 R CB 0.201 30.194 30.300 -0.513 0.000 0.932 521 R HN 0.649 nan 8.270 nan 0.000 0.409 522 S N 3.925 119.412 115.700 -0.355 0.000 2.667 522 S HA 0.610 5.079 4.470 -0.002 0.000 0.292 522 S C -1.145 173.288 174.600 -0.278 0.000 1.126 522 S CA -1.027 57.064 58.200 -0.182 0.000 0.881 522 S CB 1.455 64.660 63.200 0.007 0.000 1.132 522 S HN 0.627 nan 8.310 nan 0.000 0.492 523 W N 0.526 121.923 121.300 0.162 0.000 2.819 523 W HA 0.445 5.104 4.660 -0.002 0.000 0.337 523 W C -1.375 175.230 176.519 0.144 0.000 1.077 523 W CA -0.436 57.038 57.345 0.215 0.000 1.226 523 W CB 2.140 31.854 29.460 0.423 0.000 1.419 523 W HN 0.630 nan 8.180 nan 0.000 0.502 524 D N 2.038 122.660 120.400 0.371 0.000 2.248 524 D HA 0.527 5.166 4.640 -0.002 0.000 0.246 524 D C -0.481 176.071 176.300 0.420 0.000 1.027 524 D CA -0.364 53.822 54.000 0.310 0.000 0.853 524 D CB 2.219 43.144 40.800 0.207 0.000 1.243 524 D HN 0.087 nan 8.370 nan 0.000 0.462 525 I N 3.186 123.961 120.570 0.341 0.000 2.411 525 I HA 0.361 4.530 4.170 -0.002 0.000 0.284 525 I C -0.732 175.600 176.117 0.359 0.000 1.012 525 I CA -0.867 60.599 61.300 0.277 0.000 1.119 525 I CB 0.374 38.450 38.000 0.126 0.000 1.261 525 I HN 0.229 nan 8.210 nan 0.000 0.448 526 F N 3.555 123.582 119.950 0.129 0.000 2.664 526 F HA 0.541 5.067 4.527 -0.002 0.000 0.329 526 F C -0.726 175.132 175.800 0.096 0.000 1.090 526 F CA -1.518 56.552 58.000 0.116 0.000 0.978 526 F CB 1.305 40.356 39.000 0.086 0.000 1.378 526 F HN 0.254 nan 8.300 nan 0.000 0.495 527 N N 1.957 120.794 118.700 0.229 0.000 2.558 527 N HA 0.368 5.106 4.740 -0.002 0.000 0.242 527 N C -2.085 173.531 175.510 0.177 0.000 0.979 527 N CA -2.160 50.944 53.050 0.090 0.000 0.931 527 N CB 1.390 39.929 38.487 0.086 0.000 1.122 527 N HN 0.384 nan 8.380 nan 0.000 0.508 528 P HA -0.071 nan 4.420 nan 0.000 0.234 528 P C -0.145 177.217 177.300 0.104 0.000 1.167 528 P CA 0.818 64.041 63.100 0.206 0.000 0.763 528 P CB 0.295 32.088 31.700 0.156 0.000 0.835 529 N N -0.105 118.630 118.700 0.059 0.000 2.412 529 N HA 0.059 4.797 4.740 -0.002 0.000 0.184 529 N C 0.573 176.095 175.510 0.021 0.000 1.101 529 N CA 0.524 53.593 53.050 0.031 0.000 0.881 529 N CB 0.501 38.996 38.487 0.013 0.000 0.969 529 N HN 0.367 nan 8.380 nan 0.000 0.459 530 K N 0.192 120.609 120.400 0.029 0.000 2.433 530 K HA 0.654 4.973 4.320 -0.002 0.000 0.252 530 K C -0.994 175.608 176.600 0.003 0.000 1.015 530 K CA -0.746 55.541 56.287 -0.001 0.000 0.860 530 K CB 2.992 35.473 32.500 -0.031 0.000 1.359 530 K HN -0.319 nan 8.250 nan 0.000 0.452 531 V N 0.725 120.623 119.914 -0.026 0.000 2.888 531 V HA 0.240 4.358 4.120 -0.002 0.000 0.309 531 V C -0.765 175.298 176.094 -0.051 0.000 1.114 531 V CA -1.177 61.105 62.300 -0.029 0.000 0.940 531 V CB 1.950 33.761 31.823 -0.022 0.000 1.021 531 V HN 0.764 nan 8.190 nan 0.000 0.426 532 N N 5.160 123.837 118.700 -0.038 0.000 2.442 532 N HA 0.182 4.921 4.740 -0.002 0.000 0.265 532 N C -1.405 174.083 175.510 -0.035 0.000 1.138 532 N CA -1.379 51.646 53.050 -0.042 0.000 0.956 532 N CB 2.097 40.611 38.487 0.045 0.000 1.067 532 N HN 0.421 nan 8.380 nan 0.000 0.474 533 P HA -0.144 nan 4.420 nan 0.000 0.221 533 P C 0.437 177.799 177.300 0.103 0.000 1.145 533 P CA 1.324 64.384 63.100 -0.067 0.000 0.795 533 P CB 0.191 31.779 31.700 -0.186 0.000 0.775 534 Y N 0.914 121.222 120.300 0.013 0.000 2.265 534 Y HA 0.001 4.550 4.550 -0.002 0.000 0.290 534 Y C 2.971 178.886 175.900 0.025 0.000 1.137 534 Y CA 0.890 59.000 58.100 0.016 0.000 1.147 534 Y CB -1.433 37.039 38.460 0.020 0.000 1.104 534 Y HN 0.042 nan 8.280 nan 0.000 0.514 535 S N -0.785 115.060 115.700 0.241 0.000 2.453 535 S HA 0.124 4.592 4.470 -0.002 0.000 0.231 535 S C 1.910 176.541 174.600 0.051 0.000 1.005 535 S CA 0.867 59.165 58.200 0.163 0.000 0.949 535 S CB -0.562 62.824 63.200 0.310 0.000 0.774 535 S HN 0.693 nan 8.310 nan 0.000 0.510 536 G N 0.920 109.740 108.800 0.034 0.000 2.148 536 G HA2 -0.209 3.750 3.960 -0.002 0.000 0.254 536 G HA3 -0.209 3.750 3.960 -0.002 0.000 0.254 536 G C -0.047 174.805 174.900 -0.079 0.000 0.981 536 G CA 0.390 45.481 45.100 -0.016 0.000 0.670 536 G HN 0.527 nan 8.290 nan 0.000 0.528 537 K N 0.787 121.097 120.400 -0.150 0.000 2.118 537 K HA 0.540 4.859 4.320 -0.002 0.000 0.254 537 K C -2.301 174.200 176.600 -0.166 0.000 0.961 537 K CA -2.226 53.891 56.287 -0.284 0.000 0.876 537 K CB 1.785 33.836 32.500 -0.750 0.000 1.077 537 K HN 0.129 nan 8.250 nan 0.000 0.440 538 P HA 0.123 nan 4.420 nan 0.000 0.271 538 P C -2.493 174.846 177.300 0.066 0.000 1.218 538 P CA -1.238 61.870 63.100 0.014 0.000 0.780 538 P CB -0.199 31.588 31.700 0.144 0.000 0.901 539 P HA 0.051 nan 4.420 nan 0.000 0.271 539 P C -0.265 177.219 177.300 0.306 0.000 1.216 539 P CA 0.388 63.570 63.100 0.136 0.000 0.776 539 P CB 0.609 32.268 31.700 -0.068 0.000 0.881 540 S N 1.865 117.778 115.700 0.354 0.000 2.615 540 S HA 0.562 5.031 4.470 -0.002 0.000 0.269 540 S C -1.861 172.861 174.600 0.203 0.000 1.161 540 S CA -0.677 57.728 58.200 0.341 0.000 0.817 540 S CB 1.047 64.420 63.200 0.288 0.000 1.131 540 S HN 0.283 nan 8.310 nan 0.000 0.467 541 Y N 0.950 121.290 120.300 0.067 0.000 2.350 541 Y HA 0.598 5.147 4.550 -0.002 0.000 0.338 541 Y C 0.041 175.980 175.900 0.064 0.000 0.961 541 Y CA -0.500 57.598 58.100 -0.003 0.000 1.100 541 Y CB 1.958 40.381 38.460 -0.062 0.000 1.179 541 Y HN 0.852 nan 8.280 nan 0.000 0.454 542 K N 4.433 124.872 120.400 0.066 0.000 2.185 542 K HA 0.457 4.775 4.320 -0.002 0.000 0.269 542 K C -1.393 175.259 176.600 0.088 0.000 0.987 542 K CA -0.895 55.447 56.287 0.093 0.000 0.865 542 K CB 0.898 33.431 32.500 0.054 0.000 1.090 542 K HN 0.638 nan 8.250 nan 0.000 0.450 543 L N 5.731 127.020 121.223 0.111 0.000 2.278 543 L HA 0.245 4.584 4.340 -0.002 0.000 0.287 543 L C -1.323 175.634 176.870 0.146 0.000 1.072 543 L CA -0.035 54.843 54.840 0.064 0.000 0.819 543 L CB 1.153 43.205 42.059 -0.011 0.000 1.176 543 L HN 0.359 nan 8.230 nan 0.000 0.435 544 V N 5.028 124.979 119.914 0.062 0.000 2.293 544 V HA 0.535 4.654 4.120 -0.002 0.000 0.275 544 V C -0.018 176.089 176.094 0.022 0.000 1.021 544 V CA -0.219 62.118 62.300 0.061 0.000 0.815 544 V CB 0.830 32.666 31.823 0.023 0.000 1.025 544 V HN 0.849 nan 8.190 nan 0.000 0.448 545 S N 2.799 118.540 115.700 0.068 0.000 2.677 545 S HA 0.459 4.928 4.470 -0.002 0.000 0.283 545 S C 0.318 174.838 174.600 -0.134 0.000 1.159 545 S CA -0.050 58.172 58.200 0.037 0.000 1.001 545 S CB 2.105 65.417 63.200 0.186 0.000 1.032 545 S HN 0.709 nan 8.310 nan 0.000 0.487 546 T N 3.061 117.473 114.554 -0.237 0.000 2.959 546 T HA 0.256 4.604 4.350 -0.002 0.000 0.254 546 T C 0.154 174.707 174.700 -0.245 0.000 1.003 546 T CA 0.356 62.121 62.100 -0.558 0.000 0.950 546 T CB 0.041 68.713 68.868 -0.327 0.000 1.090 546 T HN 0.684 nan 8.240 nan 0.000 0.503 547 Q N 1.312 121.096 119.800 -0.028 0.000 2.844 547 Q HA 0.279 4.618 4.340 -0.002 0.000 0.235 547 Q C -0.944 175.165 176.000 0.181 0.000 1.336 547 Q CA -0.337 55.520 55.803 0.089 0.000 1.026 547 Q CB -0.267 28.544 28.738 0.121 0.000 1.513 547 Q HN 0.360 nan 8.270 nan 0.000 0.577 548 C N 2.877 122.282 119.300 0.176 0.000 2.816 548 C HA 0.369 4.827 4.460 -0.002 0.000 0.255 548 C C -2.130 173.000 174.990 0.233 0.000 1.141 548 C CA -1.948 57.221 59.018 0.253 0.000 1.554 548 C CB -0.524 27.448 27.740 0.388 0.000 1.778 548 C HN 0.542 nan 8.230 nan 0.000 0.429 549 P HA 0.275 nan 4.420 nan 0.000 0.275 549 P C -2.193 175.164 177.300 0.094 0.000 1.228 549 P CA -0.674 62.498 63.100 0.119 0.000 0.786 549 P CB 0.171 31.913 31.700 0.070 0.000 0.927 550 P HA 0.140 nan 4.420 nan 0.000 0.276 550 P C -0.756 176.534 177.300 -0.017 0.000 1.244 550 P CA -0.463 62.659 63.100 0.037 0.000 0.801 550 P CB 0.629 32.353 31.700 0.040 0.000 1.006 551 L N 2.533 123.713 121.223 -0.072 0.000 2.418 551 L HA 0.061 4.400 4.340 -0.002 0.000 0.274 551 L C 1.149 177.964 176.870 -0.092 0.000 1.135 551 L CA 0.348 55.118 54.840 -0.117 0.000 0.870 551 L CB -0.499 41.448 42.059 -0.186 0.000 1.154 551 L HN 0.324 nan 8.230 nan 0.000 0.462 552 L N 4.776 125.952 121.223 -0.078 0.000 2.179 552 L HA 0.149 4.488 4.340 -0.002 0.000 0.208 552 L C 1.402 178.230 176.870 -0.070 0.000 1.096 552 L CA 0.448 55.259 54.840 -0.048 0.000 0.779 552 L CB -0.479 41.569 42.059 -0.018 0.000 0.922 552 L HN 0.834 nan 8.230 nan 0.000 0.443 553 A N 0.880 123.635 122.820 -0.109 0.000 2.498 553 A HA 0.129 4.448 4.320 -0.002 0.000 0.239 553 A C 0.256 177.764 177.584 -0.127 0.000 1.068 553 A CA 0.015 51.974 52.037 -0.129 0.000 0.766 553 A CB 0.045 18.942 19.000 -0.172 0.000 1.003 553 A HN 0.178 nan 8.150 nan 0.000 0.497 554 K N 1.194 121.525 120.400 -0.116 0.000 2.138 554 K HA 0.197 4.515 4.320 -0.002 0.000 0.251 554 K C -0.029 176.496 176.600 -0.125 0.000 1.015 554 K CA -0.156 56.068 56.287 -0.105 0.000 0.917 554 K CB 0.476 32.926 32.500 -0.083 0.000 1.021 554 K HN 0.778 nan 8.250 nan 0.000 0.485 555 E N 0.004 120.138 120.200 -0.110 0.000 2.414 555 E HA 0.014 4.363 4.350 -0.002 0.000 0.263 555 E C 0.747 177.276 176.600 -0.118 0.000 1.000 555 E CA 0.655 56.985 56.400 -0.117 0.000 0.914 555 E CB 0.371 30.017 29.700 -0.091 0.000 0.948 555 E HN 0.826 nan 8.360 nan 0.000 0.444 556 G N 2.541 111.257 108.800 -0.140 0.000 2.195 556 G HA2 -0.338 3.621 3.960 -0.002 0.000 0.246 556 G HA3 -0.338 3.621 3.960 -0.002 0.000 0.246 556 G C 0.407 175.209 174.900 -0.163 0.000 0.984 556 G CA 0.308 45.324 45.100 -0.141 0.000 0.633 556 G HN 0.690 nan 8.290 nan 0.000 0.525 557 S N 0.058 115.652 115.700 -0.176 0.000 2.593 557 S HA 0.635 5.103 4.470 -0.002 0.000 0.269 557 S C 1.701 176.147 174.600 -0.256 0.000 1.334 557 S CA -0.087 57.996 58.200 -0.195 0.000 1.015 557 S CB 1.370 64.454 63.200 -0.194 0.000 0.912 557 S HN 0.416 nan 8.310 nan 0.000 0.541 558 L N 1.490 122.548 121.223 -0.275 0.000 2.042 558 L HA -0.131 4.208 4.340 -0.002 0.000 0.210 558 L C 2.649 179.254 176.870 -0.442 0.000 1.076 558 L CA 1.185 55.816 54.840 -0.348 0.000 0.749 558 L CB -0.916 40.958 42.059 -0.309 0.000 0.893 558 L HN 0.632 nan 8.230 nan 0.000 0.432 559 V N 0.187 119.810 119.914 -0.484 0.000 2.255 559 V HA -0.340 3.779 4.120 -0.002 0.000 0.247 559 V C 2.760 178.644 176.094 -0.349 0.000 1.051 559 V CA 2.051 64.094 62.300 -0.429 0.000 1.018 559 V CB -0.965 30.654 31.823 -0.341 0.000 0.641 559 V HN 0.515 nan 8.190 nan 0.000 0.445 560 A N -0.539 122.092 122.820 -0.315 0.000 1.933 560 A HA -0.206 4.113 4.320 -0.002 0.000 0.218 560 A C 2.279 179.677 177.584 -0.309 0.000 1.175 560 A CA 1.788 53.644 52.037 -0.301 0.000 0.628 560 A CB -0.380 18.476 19.000 -0.241 0.000 0.814 560 A HN 0.573 nan 8.150 nan 0.000 0.444 561 K N -0.660 119.539 120.400 -0.335 0.000 2.103 561 K HA -0.036 4.283 4.320 -0.002 0.000 0.204 561 K C 2.046 178.340 176.600 -0.510 0.000 1.052 561 K CA 1.108 57.158 56.287 -0.394 0.000 0.945 561 K CB -0.119 32.113 32.500 -0.446 0.000 0.722 561 K HN 0.393 nan 8.250 nan 0.000 0.443 562 R N 0.220 120.438 120.500 -0.471 0.000 2.240 562 R HA 0.084 4.423 4.340 -0.002 0.000 0.203 562 R C 0.611 176.879 176.300 -0.054 0.000 1.011 562 R CA 0.503 56.386 56.100 -0.361 0.000 1.007 562 R CB 0.372 30.559 30.300 -0.188 0.000 0.911 562 R HN -0.008 nan 8.270 nan 0.000 0.468 563 A N 1.580 124.250 122.820 -0.249 0.000 3.204 563 A HA 0.284 4.602 4.320 -0.002 0.000 0.327 563 A C -1.995 175.175 177.584 -0.690 0.000 0.998 563 A CA -1.193 50.524 52.037 -0.534 0.000 0.891 563 A CB 0.532 19.047 19.000 -0.809 0.000 1.061 563 A HN -0.071 nan 8.150 nan 0.000 0.478 564 P HA -0.173 nan 4.420 nan 0.000 0.221 564 P C 1.329 178.532 177.300 -0.162 0.000 1.145 564 P CA 1.079 64.058 63.100 -0.202 0.000 0.795 564 P CB -0.200 31.459 31.700 -0.068 0.000 0.775 565 W N 0.039 121.298 121.300 -0.068 0.000 2.467 565 W HA 0.247 4.907 4.660 -0.002 0.000 0.275 565 W C 1.599 178.121 176.519 0.005 0.000 1.239 565 W CA 0.574 57.894 57.345 -0.041 0.000 1.266 565 W CB -1.689 27.732 29.460 -0.066 0.000 1.112 565 W HN -0.084 nan 8.180 nan 0.000 0.576 566 A N 1.292 123.658 122.820 -0.757 0.000 2.119 566 A HA -0.066 4.252 4.320 -0.002 0.000 0.217 566 A C 2.109 179.525 177.584 -0.280 0.000 1.153 566 A CA 1.563 53.227 52.037 -0.621 0.000 0.692 566 A CB -0.797 17.554 19.000 -1.082 0.000 0.799 566 A HN 0.228 nan 8.150 nan 0.000 0.458 567 S N -0.640 114.906 115.700 -0.258 0.000 2.442 567 S HA -0.037 4.431 4.470 -0.002 0.000 0.236 567 S C 0.290 174.635 174.600 -0.425 0.000 1.007 567 S CA 0.877 58.891 58.200 -0.309 0.000 0.965 567 S CB -0.269 62.745 63.200 -0.311 0.000 0.773 567 S HN 0.800 nan 8.310 nan 0.000 0.504 568 H N -1.291 117.782 119.070 0.005 0.000 2.768 568 H HA 0.430 4.984 4.556 -0.002 0.000 0.371 568 H C 0.691 176.080 175.328 0.102 0.000 1.151 568 H CA -0.508 55.575 56.048 0.059 0.000 1.165 568 H CB 1.432 31.214 29.762 0.034 0.000 1.722 568 H HN -0.131 nan 8.280 nan 0.000 0.543 569 S N 0.567 116.430 115.700 0.272 0.000 2.402 569 S HA 0.017 4.486 4.470 -0.002 0.000 0.229 569 S C 0.440 175.124 174.600 0.140 0.000 1.021 569 S CA 0.622 58.965 58.200 0.238 0.000 0.974 569 S CB 0.292 63.736 63.200 0.406 0.000 0.800 569 S HN 0.255 nan 8.310 nan 0.000 0.484 570 V N 2.522 122.447 119.914 0.017 0.000 2.709 570 V HA 0.436 4.555 4.120 -0.002 0.000 0.308 570 V C -1.078 174.894 176.094 -0.204 0.000 1.062 570 V CA -0.964 61.179 62.300 -0.262 0.000 0.901 570 V CB 2.076 33.473 31.823 -0.711 0.000 1.003 570 V HN 0.235 nan 8.190 nan 0.000 0.425 571 N N 2.988 121.556 118.700 -0.220 0.000 2.430 571 N HA 0.553 5.292 4.740 -0.002 0.000 0.290 571 N C -1.464 173.974 175.510 -0.120 0.000 1.063 571 N CA -0.288 52.690 53.050 -0.121 0.000 0.883 571 N CB 2.716 41.235 38.487 0.054 0.000 1.465 571 N HN 0.348 nan 8.380 nan 0.000 0.493 572 V N 2.176 122.011 119.914 -0.132 0.000 2.444 572 V HA 0.518 4.636 4.120 -0.002 0.000 0.294 572 V C 0.233 176.369 176.094 0.071 0.000 1.022 572 V CA -0.756 61.541 62.300 -0.005 0.000 0.850 572 V CB 1.591 33.439 31.823 0.041 0.000 0.992 572 V HN 0.478 nan 8.190 nan 0.000 0.426 573 V N 3.371 123.371 119.914 0.143 0.000 3.102 573 V HA 0.795 4.914 4.120 -0.002 0.000 0.312 573 V C -2.940 173.205 176.094 0.085 0.000 1.135 573 V CA -3.074 59.294 62.300 0.112 0.000 1.022 573 V CB 2.234 34.145 31.823 0.147 0.000 1.056 573 V HN 0.606 nan 8.190 nan 0.000 0.436 574 P HA 0.183 nan 4.420 nan 0.000 0.269 574 P C -1.232 176.054 177.300 -0.022 0.000 1.209 574 P CA 0.223 63.343 63.100 0.035 0.000 0.776 574 P CB 0.048 31.759 31.700 0.018 0.000 0.876 575 Y N 3.180 123.441 120.300 -0.064 0.000 2.411 575 Y HA 0.353 4.902 4.550 -0.002 0.000 0.333 575 Y C 0.094 175.914 175.900 -0.133 0.000 1.186 575 Y CA 0.619 58.653 58.100 -0.110 0.000 1.381 575 Y CB 0.586 38.995 38.460 -0.085 0.000 1.273 575 Y HN 0.216 nan 8.280 nan 0.000 0.546 576 K N 3.837 123.497 120.400 -1.233 0.000 2.542 576 K HA 0.241 4.560 4.320 -0.002 0.000 0.259 576 K C -1.721 174.216 176.600 -1.105 0.000 0.932 576 K CA -0.677 55.129 56.287 -0.802 0.000 0.820 576 K CB 1.251 33.456 32.500 -0.491 0.000 1.345 576 K HN 0.629 nan 8.250 nan 0.000 0.432 577 D N 2.181 122.264 120.400 -0.529 0.000 2.443 577 D HA 0.017 4.656 4.640 -0.002 0.000 0.239 577 D C 0.277 176.387 176.300 -0.317 0.000 1.136 577 D CA 0.841 54.666 54.000 -0.292 0.000 0.879 577 D CB 0.530 41.303 40.800 -0.045 0.000 1.195 577 D HN 0.593 nan 8.370 nan 0.000 0.443 578 N N 1.123 119.663 118.700 -0.266 0.000 2.782 578 N HA -0.206 4.532 4.740 -0.002 0.000 0.251 578 N C -0.601 174.712 175.510 -0.328 0.000 1.101 578 N CA 0.471 53.363 53.050 -0.264 0.000 0.764 578 N CB -0.401 37.969 38.487 -0.195 0.000 1.122 578 N HN 0.440 nan 8.380 nan 0.000 0.561 579 R N 0.939 121.138 120.500 -0.503 0.000 3.171 579 R HA 0.280 4.618 4.340 -0.002 0.000 0.241 579 R C 1.376 177.351 176.300 -0.541 0.000 1.421 579 R CA -0.135 55.521 56.100 -0.741 0.000 1.444 579 R CB 0.279 29.793 30.300 -1.310 0.000 1.247 579 R HN 0.235 nan 8.270 nan 0.000 0.636 580 L N 0.531 121.533 121.223 -0.368 0.000 2.347 580 L HA 0.181 4.519 4.340 -0.002 0.000 0.196 580 L C -0.081 176.622 176.870 -0.279 0.000 1.072 580 L CA 0.460 54.992 54.840 -0.513 0.000 0.817 580 L CB 0.095 41.443 42.059 -1.184 0.000 1.029 580 L HN 0.319 nan 8.230 nan 0.000 0.478 581 Y N 1.397 121.847 120.300 0.250 0.000 2.434 581 Y HA 0.257 4.805 4.550 -0.002 0.000 0.341 581 Y C -1.525 174.400 175.900 0.042 0.000 0.965 581 Y CA -3.454 54.714 58.100 0.114 0.000 1.205 581 Y CB -0.192 38.244 38.460 -0.040 0.000 1.121 581 Y HN -0.039 nan 8.280 nan 0.000 0.507 582 P HA -0.119 nan 4.420 nan 0.000 0.223 582 P C 0.575 177.762 177.300 -0.189 0.000 1.144 582 P CA 1.147 63.994 63.100 -0.423 0.000 0.783 582 P CB 0.522 31.937 31.700 -0.475 0.000 0.771 583 S N -1.028 114.677 115.700 0.009 0.000 2.575 583 S HA 0.481 4.950 4.470 -0.002 0.000 0.237 583 S C 0.791 175.303 174.600 -0.146 0.000 0.975 583 S CA 0.288 58.576 58.200 0.147 0.000 0.960 583 S CB 0.028 63.450 63.200 0.368 0.000 0.822 583 S HN 0.530 nan 8.310 nan 0.000 0.472 584 G N 1.354 110.001 108.800 -0.255 0.000 2.662 584 G HA2 -0.137 3.822 3.960 -0.002 0.000 0.686 584 G HA3 -0.137 3.822 3.960 -0.002 0.000 0.686 584 G C -0.433 174.367 174.900 -0.167 0.000 1.271 584 G CA -0.427 44.472 45.100 -0.335 0.000 0.816 584 G HN 0.187 nan 8.290 nan 0.000 0.608 585 D N -0.091 120.187 120.400 -0.202 0.000 2.183 585 D HA 0.029 4.667 4.640 -0.002 0.000 0.203 585 D C 0.724 176.699 176.300 -0.543 0.000 0.969 585 D CA 1.354 55.177 54.000 -0.296 0.000 0.842 585 D CB 0.015 40.587 40.800 -0.379 0.000 0.957 585 D HN 0.489 nan 8.370 nan 0.000 0.484 586 H N 0.372 119.410 119.070 -0.053 0.000 2.786 586 H HA 0.241 4.796 4.556 -0.002 0.000 0.284 586 H C 1.000 176.306 175.328 -0.037 0.000 1.104 586 H CA -0.291 55.740 56.048 -0.028 0.000 1.339 586 H CB 1.522 31.279 29.762 -0.009 0.000 1.427 586 H HN -0.210 nan 8.280 nan 0.000 0.497 587 V N 3.564 123.511 119.914 0.055 0.000 2.407 587 V HA -0.029 4.090 4.120 -0.002 0.000 0.245 587 V C -1.590 174.606 176.094 0.170 0.000 1.041 587 V CA 0.538 62.903 62.300 0.108 0.000 1.040 587 V CB -1.050 30.804 31.823 0.052 0.000 0.671 587 V HN 0.449 nan 8.190 nan 0.000 0.455 588 P HA 0.006 nan 4.420 nan 0.000 0.261 588 P C 0.320 177.733 177.300 0.188 0.000 1.173 588 P CA 0.884 64.045 63.100 0.102 0.000 0.760 588 P CB 0.006 31.736 31.700 0.050 0.000 0.783 589 Q N -1.651 118.287 119.800 0.231 0.000 2.416 589 Q HA -0.236 4.103 4.340 -0.002 0.000 0.235 589 Q C -0.276 175.994 176.000 0.449 0.000 0.773 589 Q CA 0.538 56.543 55.803 0.337 0.000 1.286 589 Q CB -1.766 27.114 28.738 0.238 0.000 1.556 589 Q HN 0.547 nan 8.270 nan 0.000 0.650 590 W N 1.813 123.197 121.300 0.140 0.000 2.266 590 W HA 0.298 4.957 4.660 -0.002 0.000 0.317 590 W C 1.241 177.663 176.519 -0.162 0.000 1.310 590 W CA 0.005 57.368 57.345 0.029 0.000 1.207 590 W CB 0.560 30.019 29.460 -0.001 0.000 1.199 590 W HN 0.116 nan 8.180 nan 0.000 0.544 591 S N 3.491 118.781 115.700 -0.683 0.000 2.481 591 S HA 0.102 4.571 4.470 -0.002 0.000 0.231 591 S C 1.584 175.378 174.600 -1.342 0.000 0.996 591 S CA 0.916 58.269 58.200 -1.411 0.000 0.942 591 S CB -0.396 62.236 63.200 -0.947 0.000 0.768 591 S HN 1.721 nan 8.310 nan 0.000 0.520 592 G N 0.615 108.137 108.800 -2.130 0.000 2.176 592 G HA2 -0.162 3.796 3.960 -0.002 0.000 0.232 592 G HA3 -0.162 3.796 3.960 -0.002 0.000 0.232 592 G C -0.473 173.788 174.900 -1.064 0.000 0.986 592 G CA 0.053 43.914 45.100 -2.065 0.000 0.643 592 G HN 0.560 nan 8.290 nan 0.000 0.522 593 D N 1.175 121.195 120.400 -0.634 0.000 2.225 593 D HA 0.558 5.197 4.640 -0.002 0.000 0.248 593 D C 0.720 177.149 176.300 0.214 0.000 1.096 593 D CA 1.430 55.342 54.000 -0.147 0.000 0.863 593 D CB 1.354 42.082 40.800 -0.121 0.000 1.156 593 D HN 1.377 nan 8.370 nan 0.000 0.450 594 G N 0.173 109.082 108.800 0.181 0.000 2.428 594 G HA2 -0.077 3.882 3.960 -0.002 0.000 0.681 594 G HA3 -0.077 3.882 3.960 -0.002 0.000 0.681 594 G C -0.999 173.999 174.900 0.164 0.000 1.340 594 G CA -1.009 44.211 45.100 0.200 0.000 0.915 594 G HN 0.336 nan 8.290 nan 0.000 0.645 595 V N 2.351 122.300 119.914 0.058 0.000 2.322 595 V HA 0.651 4.769 4.120 -0.002 0.000 0.258 595 V C 0.787 176.835 176.094 -0.076 0.000 1.074 595 V CA 0.612 62.910 62.300 -0.003 0.000 0.909 595 V CB -0.224 31.595 31.823 -0.007 0.000 1.090 595 V HN 1.051 nan 8.190 nan 0.000 0.486 596 R N 2.922 123.328 120.500 -0.158 0.000 2.752 596 R HA 0.814 5.153 4.340 -0.002 0.000 0.271 596 R C 0.417 176.419 176.300 -0.497 0.000 1.026 596 R CA -0.141 55.767 56.100 -0.321 0.000 0.901 596 R CB 1.180 31.204 30.300 -0.461 0.000 1.243 596 R HN 0.820 nan 8.270 nan 0.000 0.463 597 G N 1.235 109.631 108.800 -0.673 0.000 2.582 597 G HA2 -0.431 3.528 3.960 -0.002 0.000 0.288 597 G HA3 -0.431 3.528 3.960 -0.002 0.000 0.288 597 G C 0.553 174.355 174.900 -1.829 0.000 1.247 597 G CA 0.844 45.255 45.100 -1.147 0.000 0.972 597 G HN 0.791 nan 8.290 nan 0.000 0.557 598 M N 0.422 119.175 119.600 -1.411 0.000 2.195 598 M HA -0.025 4.454 4.480 -0.002 0.000 0.260 598 M C 2.394 178.423 176.300 -0.452 0.000 1.066 598 M CA 2.809 57.574 55.300 -0.891 0.000 1.089 598 M CB -0.516 31.860 32.600 -0.372 0.000 1.377 598 M HN 0.627 nan 8.290 nan 0.000 0.411 599 R N -0.412 119.886 120.500 -0.336 0.000 2.096 599 R HA -0.184 4.155 4.340 -0.002 0.000 0.235 599 R C 2.244 178.452 176.300 -0.153 0.000 1.127 599 R CA 1.925 57.929 56.100 -0.160 0.000 0.968 599 R CB -0.355 29.909 30.300 -0.060 0.000 0.861 599 R HN 0.668 nan 8.270 nan 0.000 0.440 600 E N -0.505 119.540 120.200 -0.259 0.000 2.072 600 E HA -0.173 4.175 4.350 -0.002 0.000 0.190 600 E C 1.403 178.026 176.600 0.038 0.000 0.982 600 E CA 1.058 57.385 56.400 -0.122 0.000 0.803 600 E CB -0.068 29.550 29.700 -0.137 0.000 0.755 600 E HN 0.408 nan 8.360 nan 0.000 0.453 601 W N 0.687 121.938 121.300 -0.081 0.000 2.363 601 W HA -0.057 4.602 4.660 -0.002 0.000 0.296 601 W C 2.096 178.576 176.519 -0.065 0.000 1.212 601 W CA 0.267 57.560 57.345 -0.086 0.000 1.260 601 W CB -0.883 28.501 29.460 -0.127 0.000 1.131 601 W HN 0.161 nan 8.180 nan 0.000 0.530 602 I N -0.062 120.577 120.570 0.114 0.000 2.353 602 I HA -0.074 4.094 4.170 -0.002 0.000 0.248 602 I C 2.133 178.269 176.117 0.033 0.000 1.119 602 I CA 1.323 62.651 61.300 0.047 0.000 1.417 602 I CB -1.044 36.951 38.000 -0.008 0.000 1.078 602 I HN 0.084 nan 8.210 nan 0.000 0.421 603 G N 2.311 111.126 108.800 0.026 0.000 2.611 603 G HA2 -0.427 3.532 3.960 -0.002 0.000 0.301 603 G HA3 -0.427 3.532 3.960 -0.002 0.000 0.301 603 G C 0.498 175.403 174.900 0.008 0.000 1.233 603 G CA 0.687 45.799 45.100 0.020 0.000 0.993 603 G HN 0.523 nan 8.290 nan 0.000 0.553 604 D N 1.248 121.654 120.400 0.011 0.000 2.328 604 D HA 0.376 5.014 4.640 -0.002 0.000 0.226 604 D C 1.809 178.111 176.300 0.003 0.000 1.066 604 D CA 1.146 55.149 54.000 0.006 0.000 0.861 604 D CB -0.453 40.352 40.800 0.009 0.000 0.912 604 D HN 2.190 nan 8.370 nan 0.000 0.521 605 G N 0.395 109.197 108.800 0.003 0.000 2.168 605 G HA2 -0.363 3.596 3.960 -0.002 0.000 0.263 605 G HA3 -0.363 3.596 3.960 -0.002 0.000 0.263 605 G C 1.078 175.981 174.900 0.006 0.000 0.977 605 G CA 0.888 45.985 45.100 -0.004 0.000 0.659 605 G HN 0.696 nan 8.290 nan 0.000 0.533 606 S N -0.769 114.940 115.700 0.015 0.000 2.524 606 S HA 0.303 4.772 4.470 -0.002 0.000 0.216 606 S C 0.639 175.257 174.600 0.029 0.000 0.987 606 S CA 0.591 58.804 58.200 0.022 0.000 0.909 606 S CB 0.377 63.589 63.200 0.021 0.000 0.781 606 S HN 0.625 nan 8.310 nan 0.000 0.521 607 E N 2.482 122.700 120.200 0.030 0.000 2.392 607 E HA 0.147 4.496 4.350 -0.002 0.000 0.264 607 E C -0.235 176.391 176.600 0.044 0.000 1.024 607 E CA -0.345 56.077 56.400 0.036 0.000 0.903 607 E CB 0.243 29.965 29.700 0.036 0.000 0.963 607 E HN 0.399 nan 8.360 nan 0.000 0.432 608 N N 2.458 121.185 118.700 0.046 0.000 2.492 608 N HA 0.028 4.767 4.740 -0.002 0.000 0.262 608 N C -0.025 175.523 175.510 0.063 0.000 1.202 608 N CA 0.223 53.306 53.050 0.055 0.000 0.926 608 N CB 0.405 38.921 38.487 0.048 0.000 1.078 608 N HN 0.551 nan 8.380 nan 0.000 0.454 609 I N -1.920 118.699 120.570 0.081 0.000 4.026 609 I HA 0.410 4.579 4.170 -0.002 0.000 0.324 609 I C -0.491 175.678 176.117 0.086 0.000 1.474 609 I CA -0.541 60.815 61.300 0.093 0.000 1.107 609 I CB 0.282 38.357 38.000 0.125 0.000 1.345 609 I HN 0.260 nan 8.210 nan 0.000 0.531 610 D N 2.492 122.933 120.400 0.068 0.000 2.274 610 D HA 0.210 4.849 4.640 -0.002 0.000 0.239 610 D C 0.309 176.612 176.300 0.005 0.000 1.104 610 D CA 0.081 54.104 54.000 0.038 0.000 0.840 610 D CB 0.633 41.476 40.800 0.070 0.000 1.100 610 D HN 0.243 nan 8.370 nan 0.000 0.477 611 N N 2.547 121.217 118.700 -0.049 0.000 2.641 611 N HA -0.222 4.517 4.740 -0.002 0.000 0.267 611 N C -1.387 174.113 175.510 -0.015 0.000 1.087 611 N CA 1.318 54.341 53.050 -0.044 0.000 0.731 611 N CB -0.923 37.555 38.487 -0.014 0.000 0.886 611 N HN 0.566 nan 8.380 nan 0.000 0.547 612 T N -0.525 114.021 114.554 -0.014 0.000 2.649 612 T HA 0.273 4.622 4.350 -0.002 0.000 0.305 612 T C -1.984 172.721 174.700 0.008 0.000 1.409 612 T CA -0.554 61.549 62.100 0.005 0.000 1.021 612 T CB 0.600 69.483 68.868 0.024 0.000 1.726 612 T HN 0.071 nan 8.240 nan 0.000 0.475 613 D N 2.321 122.735 120.400 0.024 0.000 2.295 613 D HA 0.504 5.143 4.640 -0.002 0.000 0.248 613 D C 0.167 176.528 176.300 0.103 0.000 1.154 613 D CA 0.011 54.027 54.000 0.028 0.000 0.857 613 D CB 0.576 41.377 40.800 0.002 0.000 1.117 613 D HN 0.642 nan 8.370 nan 0.000 0.468 614 I N -1.806 118.827 120.570 0.104 0.000 3.108 614 I HA 0.601 4.770 4.170 -0.002 0.000 0.312 614 I C -1.193 175.028 176.117 0.174 0.000 1.095 614 I CA -1.158 60.229 61.300 0.145 0.000 1.000 614 I CB 2.029 40.115 38.000 0.143 0.000 1.229 614 I HN 0.017 nan 8.210 nan 0.000 0.454 615 L N 2.718 124.049 121.223 0.180 0.000 2.381 615 L HA 0.477 4.816 4.340 -0.002 0.000 0.274 615 L C -1.502 175.504 176.870 0.227 0.000 0.988 615 L CA -0.456 54.474 54.840 0.149 0.000 0.824 615 L CB 2.298 44.449 42.059 0.152 0.000 1.263 615 L HN 0.528 nan 8.230 nan 0.000 0.410 616 F N 3.931 123.851 119.950 -0.049 0.000 2.347 616 F HA 0.524 5.050 4.527 -0.002 0.000 0.366 616 F C -0.974 174.767 175.800 -0.098 0.000 1.107 616 F CA -0.698 57.314 58.000 0.020 0.000 1.058 616 F CB 0.637 39.642 39.000 0.008 0.000 1.236 616 F HN 0.110 nan 8.300 nan 0.000 0.456 617 F N 5.260 125.261 119.950 0.085 0.000 2.404 617 F HA 0.290 4.816 4.527 -0.002 0.000 0.354 617 F C -0.194 175.699 175.800 0.155 0.000 1.122 617 F CA -0.618 57.470 58.000 0.148 0.000 1.080 617 F CB 0.776 39.851 39.000 0.125 0.000 1.131 617 F HN 0.428 nan 8.300 nan 0.000 0.471 618 H N 1.491 120.742 119.070 0.301 0.000 2.481 618 H HA 0.460 5.015 4.556 -0.002 0.000 0.333 618 H C -0.870 174.691 175.328 0.389 0.000 1.066 618 H CA -0.631 55.573 56.048 0.259 0.000 1.209 618 H CB 1.213 31.137 29.762 0.270 0.000 1.445 618 H HN 0.510 nan 8.280 nan 0.000 0.488 619 T N 7.450 122.005 114.554 0.002 0.000 2.744 619 T HA 0.421 4.769 4.350 -0.002 0.000 0.291 619 T C -0.864 173.773 174.700 -0.105 0.000 0.957 619 T CA -0.293 61.870 62.100 0.106 0.000 1.002 619 T CB -0.335 68.689 68.868 0.260 0.000 0.919 619 T HN 0.487 nan 8.240 nan 0.000 0.468 620 F N 0.281 120.159 119.950 -0.120 0.000 2.685 620 F HA 0.962 5.488 4.527 -0.002 0.000 0.315 620 F C 0.131 176.064 175.800 0.221 0.000 1.126 620 F CA -0.909 57.065 58.000 -0.043 0.000 0.950 620 F CB 1.086 40.014 39.000 -0.120 0.000 1.360 620 F HN 0.871 nan 8.300 nan 0.000 0.469 621 G N 0.280 109.200 108.800 0.200 0.000 2.356 621 G HA2 0.433 4.391 3.960 -0.002 0.000 0.266 621 G HA3 0.433 4.391 3.960 -0.002 0.000 0.266 621 G C -1.994 173.020 174.900 0.190 0.000 1.312 621 G CA -0.334 44.893 45.100 0.211 0.000 0.922 621 G HN 1.556 nan 8.290 nan 0.000 0.480 622 I N -2.915 117.757 120.570 0.170 0.000 3.095 622 I HA 0.860 5.029 4.170 -0.002 0.000 0.310 622 I C -0.791 175.343 176.117 0.029 0.000 1.196 622 I CA -1.029 60.328 61.300 0.095 0.000 0.985 622 I CB 2.256 40.294 38.000 0.064 0.000 1.250 622 I HN 0.481 nan 8.210 nan 0.000 0.446 623 T N 1.303 115.830 114.554 -0.044 0.000 2.779 623 T HA 0.347 4.696 4.350 -0.002 0.000 0.280 623 T C -1.017 173.513 174.700 -0.283 0.000 0.987 623 T CA -0.168 61.806 62.100 -0.210 0.000 0.966 623 T CB 0.267 69.022 68.868 -0.190 0.000 0.933 623 T HN 0.623 nan 8.240 nan 0.000 0.442 624 H N 2.697 121.392 119.070 -0.626 0.000 2.551 624 H HA 0.450 5.005 4.556 -0.002 0.000 0.321 624 H C -1.262 173.649 175.328 -0.694 0.000 1.028 624 H CA -1.081 54.620 56.048 -0.577 0.000 1.215 624 H CB 0.422 29.812 29.762 -0.620 0.000 1.414 624 H HN 0.418 nan 8.280 nan 0.000 0.480 625 F N 6.529 126.588 119.950 0.182 0.000 2.325 625 F HA 0.287 4.814 4.527 -0.001 0.000 0.369 625 F C -2.020 173.847 175.800 0.110 0.000 1.095 625 F CA -2.544 55.496 58.000 0.066 0.000 1.082 625 F CB 0.947 39.987 39.000 0.067 0.000 1.289 625 F HN 0.523 nan 8.300 nan 0.000 0.462 626 P HA 0.242 nan 4.420 nan 0.000 0.266 626 P C -0.723 176.669 177.300 0.155 0.000 1.193 626 P CA 0.088 63.223 63.100 0.058 0.000 0.770 626 P CB 0.781 32.464 31.700 -0.028 0.000 0.836 627 A N 4.027 126.951 122.820 0.174 0.000 2.515 627 A HA 0.602 4.920 4.320 -0.002 0.000 0.296 627 A C -2.120 175.546 177.584 0.136 0.000 1.094 627 A CA -1.475 50.643 52.037 0.135 0.000 0.718 627 A CB 0.802 19.883 19.000 0.135 0.000 1.307 627 A HN 0.246 nan 8.150 nan 0.000 0.408 628 P HA -0.164 nan 4.420 nan 0.000 0.217 628 P C 0.764 178.170 177.300 0.176 0.000 1.148 628 P CA 1.574 64.763 63.100 0.148 0.000 0.828 628 P CB 0.275 32.046 31.700 0.118 0.000 0.783 629 E N -0.691 119.590 120.200 0.135 0.000 2.267 629 E HA -0.164 4.184 4.350 -0.002 0.000 0.197 629 E C 1.269 177.943 176.600 0.123 0.000 0.998 629 E CA 1.045 57.512 56.400 0.112 0.000 0.830 629 E CB -0.703 29.047 29.700 0.082 0.000 0.751 629 E HN 0.355 nan 8.360 nan 0.000 0.491 630 D N -0.941 119.564 120.400 0.175 0.000 2.355 630 D HA -0.012 4.627 4.640 -0.002 0.000 0.218 630 D C -0.263 176.176 176.300 0.232 0.000 1.004 630 D CA 0.368 54.482 54.000 0.190 0.000 0.880 630 D CB 0.117 41.083 40.800 0.276 0.000 0.911 630 D HN 0.065 nan 8.370 nan 0.000 0.528 631 F N 1.213 121.191 119.950 0.047 0.000 2.538 631 F HA 0.313 4.839 4.527 -0.002 0.000 0.325 631 F C -1.674 174.145 175.800 0.032 0.000 1.066 631 F CA -2.367 55.654 58.000 0.034 0.000 0.946 631 F CB 2.144 41.178 39.000 0.056 0.000 1.199 631 F HN -0.305 nan 8.300 nan 0.000 0.473 632 P HA 0.073 nan 4.420 nan 0.000 0.240 632 P C -0.412 176.557 177.300 -0.552 0.000 1.190 632 P CA 0.826 63.192 63.100 -1.224 0.000 0.781 632 P CB 1.137 32.334 31.700 -0.838 0.000 0.931 633 L N 0.241 121.241 121.223 -0.371 0.000 2.386 633 L HA 0.518 4.857 4.340 -0.002 0.000 0.271 633 L C -0.536 176.193 176.870 -0.235 0.000 0.993 633 L CA -1.161 53.401 54.840 -0.464 0.000 0.819 633 L CB 2.804 44.380 42.059 -0.805 0.000 1.294 633 L HN -0.168 nan 8.230 nan 0.000 0.414 634 M N 5.925 125.418 119.600 -0.179 0.000 2.209 634 M HA 0.477 4.956 4.480 -0.002 0.000 0.355 634 M C -2.393 173.841 176.300 -0.109 0.000 1.171 634 M CA -1.491 53.760 55.300 -0.080 0.000 1.069 634 M CB 1.759 34.352 32.600 -0.012 0.000 1.622 634 M HN 0.262 nan 8.290 nan 0.000 0.459 635 P HA 0.122 nan 4.420 nan 0.000 0.269 635 P C -1.217 176.027 177.300 -0.093 0.000 1.209 635 P CA -0.161 62.890 63.100 -0.081 0.000 0.776 635 P CB 0.562 32.230 31.700 -0.052 0.000 0.876 636 A N 2.480 125.241 122.820 -0.098 0.000 2.546 636 A HA 0.013 4.332 4.320 -0.002 0.000 0.243 636 A C 0.342 177.863 177.584 -0.106 0.000 1.063 636 A CA 0.412 52.386 52.037 -0.105 0.000 0.757 636 A CB -0.490 18.459 19.000 -0.085 0.000 0.991 636 A HN 0.569 nan 8.150 nan 0.000 0.503 637 E N 3.541 123.662 120.200 -0.131 0.000 2.145 637 E HA 0.392 4.741 4.350 -0.002 0.000 0.270 637 E C -2.564 173.969 176.600 -0.111 0.000 0.906 637 E CA -2.256 54.065 56.400 -0.131 0.000 0.761 637 E CB 1.702 31.290 29.700 -0.188 0.000 1.116 637 E HN 0.544 nan 8.360 nan 0.000 0.408 638 P HA 0.285 nan 4.420 nan 0.000 0.278 638 P C -0.633 176.636 177.300 -0.052 0.000 1.238 638 P CA -0.130 62.926 63.100 -0.074 0.000 0.794 638 P CB 1.237 32.892 31.700 -0.076 0.000 0.955 639 I N 0.933 121.475 120.570 -0.046 0.000 2.656 639 I HA 0.463 4.631 4.170 -0.002 0.000 0.292 639 I C -0.101 175.987 176.117 -0.048 0.000 1.144 639 I CA -0.447 60.851 61.300 -0.003 0.000 1.038 639 I CB 2.610 40.635 38.000 0.042 0.000 1.244 639 I HN 0.288 nan 8.210 nan 0.000 0.420 640 T N 6.754 121.272 114.554 -0.060 0.000 2.889 640 T HA 0.735 5.083 4.350 -0.002 0.000 0.315 640 T C -1.892 172.693 174.700 -0.193 0.000 1.291 640 T CA -0.551 61.460 62.100 -0.149 0.000 1.028 640 T CB 1.502 70.295 68.868 -0.126 0.000 1.235 640 T HN 0.527 nan 8.240 nan 0.000 0.491 641 L N 1.715 122.766 121.223 -0.286 0.000 2.465 641 L HA 0.837 5.176 4.340 -0.002 0.000 0.257 641 L C -1.533 175.204 176.870 -0.222 0.000 0.988 641 L CA -1.172 53.507 54.840 -0.269 0.000 0.827 641 L CB 1.422 43.224 42.059 -0.430 0.000 1.397 641 L HN 0.948 nan 8.230 nan 0.000 0.410 642 M N 2.329 121.843 119.600 -0.143 0.000 2.501 642 M HA 0.670 5.149 4.480 -0.002 0.000 0.293 642 M C -2.099 174.173 176.300 -0.047 0.000 1.192 642 M CA -0.548 54.694 55.300 -0.097 0.000 0.886 642 M CB 2.719 35.284 32.600 -0.058 0.000 1.710 642 M HN 0.687 nan 8.290 nan 0.000 0.457 643 L N 4.892 126.122 121.223 0.011 0.000 2.345 643 L HA 0.580 4.918 4.340 -0.002 0.000 0.274 643 L C -0.835 176.161 176.870 0.211 0.000 0.999 643 L CA -0.613 54.315 54.840 0.146 0.000 0.849 643 L CB 1.263 43.459 42.059 0.229 0.000 1.220 643 L HN 0.710 nan 8.230 nan 0.000 0.422 644 R N 3.251 123.775 120.500 0.040 0.000 2.711 644 R HA 0.672 5.011 4.340 -0.002 0.000 0.284 644 R C -2.875 173.080 176.300 -0.576 0.000 0.968 644 R CA -2.093 53.913 56.100 -0.156 0.000 0.924 644 R CB 1.266 31.520 30.300 -0.076 0.000 1.162 644 R HN 0.139 nan 8.270 nan 0.000 0.465 645 P HA 0.126 nan 4.420 nan 0.000 0.276 645 P C -1.018 176.074 177.300 -0.346 0.000 1.243 645 P CA -0.331 62.175 63.100 -0.989 0.000 0.768 645 P CB 0.837 32.120 31.700 -0.695 0.000 0.856 646 R N 3.245 123.609 120.500 -0.226 0.000 2.483 646 R HA 0.271 4.609 4.340 -0.002 0.000 0.303 646 R C 0.542 176.827 176.300 -0.023 0.000 0.987 646 R CA -0.683 55.325 56.100 -0.152 0.000 0.881 646 R CB 0.154 30.416 30.300 -0.063 0.000 1.177 646 R HN 0.657 nan 8.270 nan 0.000 0.451 647 H N 0.854 119.936 119.070 0.020 0.000 3.415 647 H HA -0.222 4.333 4.556 -0.002 0.000 0.213 647 H C 0.741 176.063 175.328 -0.011 0.000 1.091 647 H CA 1.218 57.273 56.048 0.012 0.000 1.182 647 H CB -1.185 28.574 29.762 -0.004 0.000 1.160 647 H HN 0.535 nan 8.280 nan 0.000 0.319 648 F N 0.492 120.355 119.950 -0.146 0.000 2.149 648 F HA 0.154 4.680 4.527 -0.002 0.000 0.294 648 F C 0.988 176.521 175.800 -0.444 0.000 1.095 648 F CA 0.709 58.505 58.000 -0.341 0.000 1.276 648 F CB 0.204 38.853 39.000 -0.583 0.000 1.023 648 F HN -0.062 nan 8.300 nan 0.000 0.480 649 F N -0.378 119.614 119.950 0.070 0.000 2.457 649 F HA 0.262 4.788 4.527 -0.002 0.000 0.330 649 F C 1.669 177.433 175.800 -0.059 0.000 1.069 649 F CA -0.196 57.791 58.000 -0.022 0.000 1.009 649 F CB 0.623 39.627 39.000 0.007 0.000 1.276 649 F HN -0.225 nan 8.300 nan 0.000 0.492 650 T N -3.195 111.436 114.554 0.129 0.000 3.060 650 T HA 0.259 4.608 4.350 -0.002 0.000 0.249 650 T C -0.151 174.632 174.700 0.139 0.000 1.079 650 T CA 0.215 62.306 62.100 -0.016 0.000 1.013 650 T CB -0.549 68.119 68.868 -0.334 0.000 0.975 650 T HN 0.721 nan 8.240 nan 0.000 0.518 651 E N 0.042 120.320 120.200 0.131 0.000 2.422 651 E HA 0.272 4.621 4.350 -0.002 0.000 0.280 651 E C -1.393 175.205 176.600 -0.005 0.000 1.091 651 E CA -1.214 55.231 56.400 0.075 0.000 0.849 651 E CB -0.030 29.710 29.700 0.067 0.000 1.353 651 E HN -0.119 nan 8.360 nan 0.000 0.449 652 N N 2.223 120.884 118.700 -0.066 0.000 2.332 652 N HA -0.024 4.715 4.740 -0.002 0.000 0.274 652 N C -1.261 174.150 175.510 -0.164 0.000 1.351 652 N CA -1.015 51.958 53.050 -0.128 0.000 0.875 652 N CB 0.641 39.007 38.487 -0.202 0.000 1.140 652 N HN 0.414 nan 8.380 nan 0.000 0.489 653 P HA 0.004 nan 4.420 nan 0.000 0.230 653 P C 0.741 177.951 177.300 -0.151 0.000 1.158 653 P CA 0.684 63.528 63.100 -0.426 0.000 0.769 653 P CB 0.098 31.095 31.700 -1.170 0.000 0.807 654 G N -0.326 108.467 108.800 -0.012 0.000 3.189 654 G HA2 0.083 4.042 3.960 -0.002 0.000 0.225 654 G HA3 0.083 4.042 3.960 -0.002 0.000 0.225 654 G C 1.292 176.352 174.900 0.267 0.000 1.159 654 G CA -0.194 44.996 45.100 0.151 0.000 0.763 654 G HN 0.176 nan 8.290 nan 0.000 0.549 655 L N 1.071 122.363 121.223 0.116 0.000 2.362 655 L HA -0.007 4.332 4.340 -0.002 0.000 0.219 655 L C 1.851 178.794 176.870 0.123 0.000 1.134 655 L CA 1.022 55.914 54.840 0.087 0.000 0.807 655 L CB -0.052 41.967 42.059 -0.067 0.000 0.927 655 L HN 0.275 nan 8.230 nan 0.000 0.447 656 D N -0.287 120.181 120.400 0.114 0.000 2.325 656 D HA 0.050 4.689 4.640 -0.002 0.000 0.225 656 D C 0.594 176.936 176.300 0.070 0.000 1.096 656 D CA -0.021 54.036 54.000 0.095 0.000 0.844 656 D CB -0.114 40.769 40.800 0.138 0.000 0.925 656 D HN 0.210 nan 8.370 nan 0.000 0.513 657 I N 1.457 122.081 120.570 0.090 0.000 2.395 657 I HA 0.021 4.189 4.170 -0.002 0.000 0.289 657 I C 0.607 176.755 176.117 0.052 0.000 1.023 657 I CA -0.736 60.590 61.300 0.044 0.000 1.350 657 I CB 1.020 39.034 38.000 0.023 0.000 1.409 657 I HN -0.254 nan 8.210 nan 0.000 0.507 658 Q N 6.820 126.633 119.800 0.022 0.000 2.247 658 Q HA 0.108 4.447 4.340 -0.002 0.000 0.288 658 Q C -2.150 173.862 176.000 0.020 0.000 1.079 658 Q CA -1.139 54.676 55.803 0.021 0.000 0.932 658 Q CB 0.038 28.782 28.738 0.009 0.000 1.133 658 Q HN 0.304 nan 8.270 nan 0.000 0.377 659 P HA 0.078 nan 4.420 nan 0.000 0.272 659 P C 0.303 177.623 177.300 0.032 0.000 1.223 659 P CA -0.004 63.119 63.100 0.038 0.000 0.784 659 P CB 0.787 32.523 31.700 0.059 0.000 0.923 660 S N 0.062 115.789 115.700 0.044 0.000 2.414 660 S HA -0.023 4.446 4.470 -0.002 0.000 0.227 660 S C 0.089 174.782 174.600 0.154 0.000 1.022 660 S CA 1.088 59.332 58.200 0.072 0.000 0.958 660 S CB -0.375 62.860 63.200 0.058 0.000 0.797 660 S HN 0.576 nan 8.310 nan 0.000 0.493 661 Y N -0.201 120.106 120.300 0.013 0.000 2.519 661 Y HA 0.576 5.124 4.550 -0.002 0.000 0.336 661 Y C -1.616 174.304 175.900 0.033 0.000 1.089 661 Y CA -1.165 56.947 58.100 0.020 0.000 1.025 661 Y CB 1.164 39.633 38.460 0.016 0.000 1.318 661 Y HN -0.064 nan 8.280 nan 0.000 0.452 662 A N 6.749 129.131 122.820 -0.731 0.000 2.480 662 A HA 0.670 4.989 4.320 -0.002 0.000 0.289 662 A C -1.894 175.361 177.584 -0.547 0.000 1.044 662 A CA -0.493 51.277 52.037 -0.444 0.000 0.761 662 A CB 1.078 19.974 19.000 -0.174 0.000 1.289 662 A HN 0.823 nan 8.150 nan 0.000 0.401 663 M N 2.779 122.164 119.600 -0.357 0.000 2.204 663 M HA 0.456 4.935 4.480 -0.002 0.000 0.293 663 M C -0.580 175.679 176.300 -0.068 0.000 0.994 663 M CA -0.012 55.168 55.300 -0.199 0.000 0.925 663 M CB 1.843 34.381 32.600 -0.103 0.000 1.577 663 M HN 0.668 nan 8.290 nan 0.000 0.439 664 T N 2.540 117.060 114.554 -0.057 0.000 2.828 664 T HA 0.158 4.507 4.350 -0.002 0.000 0.290 664 T C 1.119 175.808 174.700 -0.019 0.000 1.019 664 T CA -0.066 62.017 62.100 -0.029 0.000 1.031 664 T CB 1.273 70.122 68.868 -0.031 0.000 1.001 664 T HN 0.813 nan 8.240 nan 0.000 0.531 665 T N 1.836 116.379 114.554 -0.017 0.000 2.746 665 T HA -0.129 4.220 4.350 -0.002 0.000 0.267 665 T C 2.360 177.047 174.700 -0.022 0.000 1.039 665 T CA 1.725 63.812 62.100 -0.023 0.000 1.142 665 T CB -0.368 68.480 68.868 -0.032 0.000 0.866 665 T HN 0.753 nan 8.240 nan 0.000 0.444 666 S N 1.772 117.459 115.700 -0.021 0.000 2.383 666 S HA -0.088 4.381 4.470 -0.002 0.000 0.227 666 S C 1.855 176.445 174.600 -0.016 0.000 1.026 666 S CA 0.929 59.118 58.200 -0.019 0.000 0.981 666 S CB -0.418 62.771 63.200 -0.019 0.000 0.818 666 S HN 0.596 nan 8.310 nan 0.000 0.472 667 E N 1.787 121.976 120.200 -0.018 0.000 2.150 667 E HA 0.029 4.377 4.350 -0.002 0.000 0.193 667 E C 2.366 178.963 176.600 -0.006 0.000 0.985 667 E CA 0.878 57.269 56.400 -0.016 0.000 0.814 667 E CB -0.371 29.312 29.700 -0.029 0.000 0.752 667 E HN 0.726 nan 8.360 nan 0.000 0.466 668 A N 1.824 124.642 122.820 -0.003 0.000 1.898 668 A HA -0.178 4.141 4.320 -0.002 0.000 0.216 668 A C 1.961 179.545 177.584 0.001 0.000 1.181 668 A CA 1.209 53.251 52.037 0.008 0.000 0.620 668 A CB -0.175 18.831 19.000 0.009 0.000 0.819 668 A HN 0.021 nan 8.150 nan 0.000 0.442 669 K N -0.720 119.675 120.400 -0.009 0.000 2.026 669 K HA -0.133 4.185 4.320 -0.002 0.000 0.208 669 K C 2.352 178.948 176.600 -0.006 0.000 1.048 669 K CA 1.371 57.652 56.287 -0.011 0.000 0.929 669 K CB -0.201 32.289 32.500 -0.016 0.000 0.713 669 K HN 0.414 nan 8.250 nan 0.000 0.439 670 R N 0.955 121.451 120.500 -0.006 0.000 2.105 670 R HA -0.119 4.220 4.340 -0.002 0.000 0.239 670 R C 1.778 178.078 176.300 0.001 0.000 1.135 670 R CA 1.397 57.495 56.100 -0.004 0.000 0.967 670 R CB -0.219 30.078 30.300 -0.005 0.000 0.861 670 R HN 0.171 nan 8.270 nan 0.000 0.442 671 A N 0.742 123.565 122.820 0.005 0.000 2.263 671 A HA 0.146 4.464 4.320 -0.002 0.000 0.205 671 A C 0.596 178.185 177.584 0.009 0.000 1.226 671 A CA 0.546 52.590 52.037 0.012 0.000 0.810 671 A CB -0.472 18.542 19.000 0.023 0.000 0.784 671 A HN 0.204 nan 8.150 nan 0.000 0.486 672 V N 0.000 119.916 119.914 0.004 0.000 2.409 672 V HA 0.000 4.119 4.120 -0.002 0.000 0.244 672 V CA 0.000 62.301 62.300 0.001 0.000 1.235 672 V CB 0.000 31.824 31.823 0.002 0.000 1.184 672 V HN 0.000 nan 8.190 nan 0.000 0.556