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 3n9h_1_C 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 LSEMIVPAGS 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 0.000 177.301 177.300 0.002 0.000 1.155 18 P CA 0.000 63.099 63.100 -0.001 0.000 0.800 18 P CB 0.000 31.699 31.700 -0.002 0.000 0.726 19 A N 2.042 124.862 122.820 0.001 0.000 2.450 19 A HA 0.470 4.790 4.320 -0.000 0.000 0.255 19 A C 0.532 178.122 177.584 0.010 0.000 1.096 19 A CA -0.279 51.762 52.037 0.006 0.000 0.778 19 A CB 0.062 19.066 19.000 0.006 0.000 1.031 19 A HN 0.472 nan 8.150 nan 0.000 0.494 20 R N 2.377 122.884 120.500 0.011 0.000 2.679 20 R HA 0.276 4.616 4.340 -0.000 0.000 0.268 20 R C -1.905 174.408 176.300 0.022 0.000 1.044 20 R CA -0.749 55.357 56.100 0.010 0.000 1.105 20 R CB 0.089 30.390 30.300 0.003 0.000 0.989 20 R HN 0.648 nan 8.270 nan 0.000 0.447 21 P HA 0.103 nan 4.420 nan 0.000 0.279 21 P C -0.306 177.035 177.300 0.069 0.000 1.276 21 P CA -0.303 62.831 63.100 0.056 0.000 0.801 21 P CB 0.994 32.739 31.700 0.076 0.000 1.127 22 A N 0.448 123.333 122.820 0.109 0.000 1.845 22 A HA -0.142 4.178 4.320 -0.000 0.000 0.215 22 A C 1.178 178.861 177.584 0.165 0.000 1.195 22 A CA 1.452 53.571 52.037 0.137 0.000 0.616 22 A CB -1.530 17.566 19.000 0.161 0.000 0.832 22 A HN 0.791 nan 8.150 nan 0.000 0.443 23 H N -1.412 117.721 119.070 0.104 0.000 2.463 23 H HA 0.413 4.969 4.556 -0.000 0.000 0.332 23 H C -2.114 173.182 175.328 -0.053 0.000 1.127 23 H CA -1.952 54.148 56.048 0.087 0.000 1.238 23 H CB 1.797 31.693 29.762 0.223 0.000 1.478 23 H HN -0.032 nan 8.280 nan 0.000 0.499 24 P HA -0.131 nan 4.420 nan 0.000 0.221 24 P C 0.669 177.988 177.300 0.032 0.000 1.145 24 P CA 1.196 64.166 63.100 -0.217 0.000 0.795 24 P CB 0.298 31.672 31.700 -0.544 0.000 0.775 25 L N -1.876 119.490 121.223 0.237 0.000 2.607 25 L HA 0.125 4.465 4.340 -0.000 0.000 0.228 25 L C 0.313 177.171 176.870 -0.020 0.000 1.123 25 L CA -0.150 54.611 54.840 -0.132 0.000 0.890 25 L CB -0.455 41.198 42.059 -0.677 0.000 1.103 25 L HN -0.100 nan 8.230 nan 0.000 0.468 26 D N 1.440 121.961 120.400 0.201 0.000 2.423 26 D HA 0.122 4.762 4.640 -0.000 0.000 0.238 26 D C -2.040 174.374 176.300 0.191 0.000 1.142 26 D CA -1.002 53.169 54.000 0.285 0.000 0.884 26 D CB 0.559 41.502 40.800 0.237 0.000 1.199 26 D HN -0.066 nan 8.370 nan 0.000 0.438 27 P HA 0.070 nan 4.420 nan 0.000 0.271 27 P C 0.011 177.409 177.300 0.164 0.000 1.233 27 P CA -0.353 62.865 63.100 0.197 0.000 0.789 27 P CB 0.563 32.401 31.700 0.230 0.000 0.951 28 L N 0.554 121.874 121.223 0.161 0.000 2.485 28 L HA 0.075 4.414 4.340 -0.000 0.000 0.275 28 L C 1.212 178.141 176.870 0.098 0.000 1.207 28 L CA 0.128 55.040 54.840 0.119 0.000 0.855 28 L CB -0.106 42.026 42.059 0.122 0.000 1.114 28 L HN 0.505 nan 8.230 nan 0.000 0.485 29 S N -0.280 115.441 115.700 0.035 0.000 2.645 29 S HA 0.153 4.623 4.470 -0.000 0.000 0.266 29 S C 1.254 175.784 174.600 -0.116 0.000 1.258 29 S CA -0.187 57.980 58.200 -0.055 0.000 0.990 29 S CB 1.335 64.503 63.200 -0.053 0.000 0.967 29 S HN 0.764 nan 8.310 nan 0.000 0.556 30 T N -1.069 113.316 114.554 -0.280 0.000 2.759 30 T HA -0.130 4.220 4.350 -0.000 0.000 0.269 30 T C 1.968 176.603 174.700 -0.107 0.000 1.042 30 T CA 1.218 63.190 62.100 -0.214 0.000 1.140 30 T CB -1.124 67.579 68.868 -0.275 0.000 0.864 30 T HN 0.881 nan 8.240 nan 0.000 0.455 31 A N 1.940 124.703 122.820 -0.095 0.000 1.902 31 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 31 A C 2.335 179.896 177.584 -0.038 0.000 1.181 31 A CA 1.624 53.626 52.037 -0.058 0.000 0.623 31 A CB -0.692 18.280 19.000 -0.047 0.000 0.818 31 A HN 0.654 nan 8.150 nan 0.000 0.443 32 E N -0.297 119.888 120.200 -0.025 0.000 2.077 32 E HA -0.139 4.210 4.350 -0.000 0.000 0.193 32 E C 1.892 178.489 176.600 -0.004 0.000 0.989 32 E CA 1.135 57.534 56.400 -0.003 0.000 0.800 32 E CB -0.293 29.419 29.700 0.020 0.000 0.746 32 E HN 0.692 nan 8.360 nan 0.000 0.452 33 I N 1.063 121.629 120.570 -0.007 0.000 2.163 33 I HA -0.299 3.871 4.170 -0.000 0.000 0.243 33 I C 2.498 178.570 176.117 -0.075 0.000 1.085 33 I CA 1.125 62.416 61.300 -0.015 0.000 1.347 33 I CB -0.193 37.812 38.000 0.008 0.000 1.044 33 I HN 0.002 nan 8.210 nan 0.000 0.408 34 K N 1.454 121.809 120.400 -0.075 0.000 2.057 34 K HA -0.114 4.206 4.320 -0.000 0.000 0.207 34 K C 2.051 178.600 176.600 -0.084 0.000 1.049 34 K CA 1.674 57.904 56.287 -0.096 0.000 0.931 34 K CB -0.416 32.042 32.500 -0.070 0.000 0.714 34 K HN 0.287 nan 8.250 nan 0.000 0.440 35 A N 0.540 123.329 122.820 -0.052 0.000 1.908 35 A HA -0.095 4.224 4.320 -0.000 0.000 0.218 35 A C 2.379 179.941 177.584 -0.037 0.000 1.181 35 A CA 2.164 54.180 52.037 -0.034 0.000 0.627 35 A CB -1.147 17.843 19.000 -0.016 0.000 0.818 35 A HN 0.425 nan 8.150 nan 0.000 0.445 36 A N -0.225 122.572 122.820 -0.038 0.000 1.858 36 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 36 A C 2.487 180.019 177.584 -0.086 0.000 1.190 36 A CA 2.790 54.810 52.037 -0.030 0.000 0.617 36 A CB -1.541 17.466 19.000 0.011 0.000 0.827 36 A HN 0.804 nan 8.150 nan 0.000 0.443 37 T N -1.768 112.659 114.554 -0.211 0.000 2.788 37 T HA -0.165 4.185 4.350 -0.000 0.000 0.268 37 T C 1.686 176.314 174.700 -0.121 0.000 1.044 37 T CA 1.429 63.286 62.100 -0.404 0.000 1.139 37 T CB -0.600 67.714 68.868 -0.923 0.000 0.867 37 T HN 0.389 nan 8.240 nan 0.000 0.454 38 N N 1.503 120.150 118.700 -0.088 0.000 2.069 38 N HA -0.081 4.659 4.740 -0.000 0.000 0.191 38 N C 2.136 177.659 175.510 0.022 0.000 1.031 38 N CA 1.960 55.000 53.050 -0.017 0.000 0.852 38 N CB -1.131 37.343 38.487 -0.021 0.000 1.018 38 N HN 0.508 nan 8.380 nan 0.000 0.423 39 T N 1.175 115.731 114.554 0.003 0.000 2.684 39 T HA -0.083 4.267 4.350 -0.000 0.000 0.267 39 T C 2.169 176.885 174.700 0.026 0.000 1.036 39 T CA 1.081 63.189 62.100 0.013 0.000 1.148 39 T CB -0.445 68.421 68.868 -0.004 0.000 0.863 39 T HN -0.013 nan 8.240 nan 0.000 0.436 40 V N 1.264 121.187 119.914 0.015 0.000 2.295 40 V HA -0.175 3.944 4.120 -0.000 0.000 0.246 40 V C 2.490 178.725 176.094 0.235 0.000 1.049 40 V CA 1.607 63.925 62.300 0.030 0.000 1.024 40 V CB -0.494 31.299 31.823 -0.049 0.000 0.648 40 V HN 0.452 nan 8.190 nan 0.000 0.447 41 K N -0.020 120.546 120.400 0.277 0.000 2.074 41 K HA -0.188 4.132 4.320 -0.000 0.000 0.209 41 K C 2.425 179.123 176.600 0.164 0.000 1.048 41 K CA 1.895 58.332 56.287 0.250 0.000 0.926 41 K CB -0.330 32.294 32.500 0.207 0.000 0.713 41 K HN 0.389 nan 8.250 nan 0.000 0.444 42 S N 0.192 115.955 115.700 0.105 0.000 2.356 42 S HA -0.175 4.294 4.470 -0.000 0.000 0.223 42 S C 1.702 176.306 174.600 0.007 0.000 1.032 42 S CA 1.114 59.344 58.200 0.050 0.000 1.005 42 S CB -0.432 62.788 63.200 0.034 0.000 0.867 42 S HN 0.323 nan 8.310 nan 0.000 0.449 43 Y N 1.023 121.228 120.300 -0.158 0.000 2.193 43 Y HA -0.148 4.402 4.550 -0.000 0.000 0.285 43 Y C 0.646 176.246 175.900 -0.500 0.000 1.166 43 Y CA 1.359 59.236 58.100 -0.372 0.000 1.181 43 Y CB -0.142 37.981 38.460 -0.562 0.000 0.976 43 Y HN 0.192 nan 8.280 nan 0.000 0.520 44 F N 0.449 120.463 119.950 0.107 0.000 2.983 44 F HA 0.452 4.979 4.527 -0.000 0.000 0.307 44 F C 0.733 176.531 175.800 -0.003 0.000 1.218 44 F CA -0.597 57.424 58.000 0.035 0.000 1.323 44 F CB -0.761 38.269 39.000 0.051 0.000 0.989 44 F HN -0.032 nan 8.300 nan 0.000 0.509 45 A N 0.117 122.974 122.820 0.062 0.000 2.546 45 A HA 0.417 4.737 4.320 -0.000 0.000 0.243 45 A C 1.535 179.148 177.584 0.047 0.000 1.063 45 A CA 0.799 52.864 52.037 0.045 0.000 0.757 45 A CB -0.469 18.529 19.000 -0.004 0.000 0.991 45 A HN 1.178 nan 8.150 nan 0.000 0.503 46 G N 1.463 110.292 108.800 0.047 0.000 2.159 46 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.256 46 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.256 46 G C 0.134 175.060 174.900 0.042 0.000 0.977 46 G CA 0.611 45.733 45.100 0.035 0.000 0.652 46 G HN 0.758 nan 8.290 nan 0.000 0.531 47 K N -0.045 120.394 120.400 0.064 0.000 2.207 47 K HA 0.481 4.801 4.320 -0.000 0.000 0.255 47 K C -0.168 176.440 176.600 0.012 0.000 0.941 47 K CA -1.040 55.274 56.287 0.044 0.000 0.825 47 K CB 1.934 34.482 32.500 0.080 0.000 1.119 47 K HN 0.109 nan 8.250 nan 0.000 0.430 48 K N 3.602 123.991 120.400 -0.017 0.000 2.150 48 K HA 0.189 4.509 4.320 -0.000 0.000 0.261 48 K C 0.011 176.564 176.600 -0.078 0.000 1.127 48 K CA -0.175 56.094 56.287 -0.029 0.000 0.989 48 K CB -0.486 32.000 32.500 -0.023 0.000 1.475 48 K HN 0.560 nan 8.250 nan 0.000 0.391 49 I N -0.273 120.235 120.570 -0.104 0.000 2.648 49 I HA 0.601 4.771 4.170 -0.000 0.000 0.304 49 I C -0.508 175.484 176.117 -0.209 0.000 1.009 49 I CA -0.736 60.433 61.300 -0.219 0.000 1.114 49 I CB 2.172 39.957 38.000 -0.359 0.000 1.293 49 I HN 0.359 nan 8.210 nan 0.000 0.449 50 S N 3.383 118.925 115.700 -0.264 0.000 2.568 50 S HA 0.670 5.140 4.470 -0.000 0.000 0.293 50 S C -0.978 173.444 174.600 -0.298 0.000 1.089 50 S CA -0.668 57.436 58.200 -0.159 0.000 0.945 50 S CB 1.446 64.613 63.200 -0.056 0.000 1.077 50 S HN 0.507 nan 8.310 nan 0.000 0.485 51 F N 2.599 122.539 119.950 -0.017 0.000 2.405 51 F HA 0.457 4.984 4.527 -0.000 0.000 0.355 51 F C 1.711 177.509 175.800 -0.003 0.000 1.121 51 F CA -0.617 57.379 58.000 -0.005 0.000 1.112 51 F CB 1.234 40.239 39.000 0.008 0.000 1.126 51 F HN 0.825 nan 8.300 nan 0.000 0.481 52 N N 1.284 120.053 118.700 0.115 0.000 2.436 52 N HA 0.015 4.755 4.740 -0.000 0.000 0.178 52 N C -0.343 175.242 175.510 0.125 0.000 1.026 52 N CA 0.755 53.856 53.050 0.085 0.000 0.880 52 N CB 0.603 39.112 38.487 0.037 0.000 1.061 52 N HN 0.537 nan 8.380 nan 0.000 0.434 53 T N 0.593 115.204 114.554 0.097 0.000 3.105 53 T HA 0.446 4.796 4.350 -0.000 0.000 0.321 53 T C -1.391 173.331 174.700 0.037 0.000 1.135 53 T CA -0.489 61.592 62.100 -0.032 0.000 1.053 53 T CB 2.581 71.287 68.868 -0.269 0.000 1.133 53 T HN -0.142 nan 8.240 nan 0.000 0.463 54 V N 2.759 122.704 119.914 0.051 0.000 2.462 54 V HA 0.764 4.884 4.120 -0.000 0.000 0.288 54 V C -0.156 176.009 176.094 0.119 0.000 1.020 54 V CA -0.459 61.914 62.300 0.121 0.000 0.857 54 V CB 1.600 33.491 31.823 0.113 0.000 1.013 54 V HN 0.990 nan 8.190 nan 0.000 0.431 55 T N 3.885 118.532 114.554 0.156 0.000 2.843 55 T HA 0.607 4.957 4.350 -0.000 0.000 0.302 55 T C -1.245 173.595 174.700 0.234 0.000 1.232 55 T CA -0.530 61.695 62.100 0.208 0.000 1.009 55 T CB 1.619 70.613 68.868 0.210 0.000 1.254 55 T HN 0.541 nan 8.240 nan 0.000 0.504 56 L N 3.062 124.412 121.223 0.212 0.000 2.490 56 L HA 0.543 4.882 4.340 -0.000 0.000 0.274 56 L C 0.204 177.165 176.870 0.153 0.000 1.201 56 L CA 0.189 55.129 54.840 0.166 0.000 0.869 56 L CB 0.355 42.498 42.059 0.141 0.000 1.123 56 L HN 0.608 nan 8.230 nan 0.000 0.484 57 R N 4.619 125.194 120.500 0.126 0.000 2.233 57 R HA 0.315 4.655 4.340 -0.000 0.000 0.334 57 R C -0.616 175.710 176.300 0.044 0.000 1.037 57 R CA -0.201 55.948 56.100 0.081 0.000 0.920 57 R CB -0.049 30.310 30.300 0.098 0.000 1.137 57 R HN 0.746 nan 8.270 nan 0.000 0.492 58 E N 5.585 125.794 120.200 0.017 0.000 2.415 58 E HA 0.076 4.426 4.350 -0.000 0.000 0.262 58 E C -1.848 174.760 176.600 0.013 0.000 1.038 58 E CA -1.354 55.046 56.400 -0.001 0.000 0.921 58 E CB 0.244 29.922 29.700 -0.036 0.000 0.950 58 E HN 0.562 nan 8.360 nan 0.000 0.438 59 P HA -0.005 nan 4.420 nan 0.000 0.269 59 P C -0.801 176.550 177.300 0.086 0.000 1.215 59 P CA -0.219 62.913 63.100 0.054 0.000 0.780 59 P CB 0.563 32.305 31.700 0.070 0.000 0.898 60 A N 2.503 125.374 122.820 0.084 0.000 2.531 60 A HA -0.046 4.274 4.320 -0.000 0.000 0.236 60 A C 1.854 179.510 177.584 0.120 0.000 1.062 60 A CA 0.026 52.122 52.037 0.098 0.000 0.760 60 A CB -0.390 18.656 19.000 0.076 0.000 0.995 60 A HN 0.694 nan 8.150 nan 0.000 0.501 61 R N 1.298 121.851 120.500 0.088 0.000 2.094 61 R HA -0.189 4.151 4.340 -0.000 0.000 0.239 61 R C 2.116 178.382 176.300 -0.056 0.000 1.137 61 R CA 2.212 58.264 56.100 -0.081 0.000 0.943 61 R CB -0.217 29.827 30.300 -0.427 0.000 0.850 61 R HN 0.860 nan 8.270 nan 0.000 0.433 62 K N -0.312 120.066 120.400 -0.036 0.000 2.032 62 K HA -0.164 4.156 4.320 -0.000 0.000 0.209 62 K C 1.945 178.571 176.600 0.043 0.000 1.048 62 K CA 1.606 57.884 56.287 -0.016 0.000 0.927 62 K CB -0.206 32.293 32.500 -0.002 0.000 0.712 62 K HN 0.289 nan 8.250 nan 0.000 0.441 63 A N 0.359 123.224 122.820 0.075 0.000 1.902 63 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 63 A C 2.072 179.748 177.584 0.153 0.000 1.181 63 A CA 1.522 53.616 52.037 0.095 0.000 0.623 63 A CB -0.919 18.130 19.000 0.080 0.000 0.818 63 A HN 0.590 nan 8.150 nan 0.000 0.443 64 Y N 0.600 120.955 120.300 0.091 0.000 2.145 64 Y HA -0.211 4.339 4.550 -0.000 0.000 0.286 64 Y C 2.035 178.085 175.900 0.250 0.000 1.145 64 Y CA 1.974 60.183 58.100 0.181 0.000 1.148 64 Y CB -0.261 38.312 38.460 0.190 0.000 0.981 64 Y HN 0.272 nan 8.280 nan 0.000 0.507 65 I N -0.027 120.666 120.570 0.206 0.000 2.286 65 I HA -0.323 3.847 4.170 -0.000 0.000 0.248 65 I C 2.527 178.633 176.117 -0.017 0.000 1.115 65 I CA 1.303 62.651 61.300 0.079 0.000 1.392 65 I CB -0.532 37.493 38.000 0.042 0.000 1.065 65 I HN 0.349 nan 8.210 nan 0.000 0.418 66 Q N 0.046 119.854 119.800 0.014 0.000 2.084 66 Q HA -0.263 4.077 4.340 -0.000 0.000 0.202 66 Q C 1.992 177.977 176.000 -0.025 0.000 0.978 66 Q CA 2.021 57.821 55.803 -0.005 0.000 0.844 66 Q CB -0.347 28.406 28.738 0.025 0.000 0.898 66 Q HN 0.663 nan 8.270 nan 0.000 0.426 67 W N 1.605 122.800 121.300 -0.174 0.000 2.358 67 W HA -0.156 4.504 4.660 -0.000 0.000 0.303 67 W C 2.050 178.413 176.519 -0.260 0.000 1.208 67 W CA 1.475 58.694 57.345 -0.209 0.000 1.274 67 W CB -0.119 29.190 29.460 -0.251 0.000 1.138 67 W HN -0.058 nan 8.180 nan 0.000 0.515 68 K N 0.470 120.577 120.400 -0.487 0.000 2.062 68 K HA -0.140 4.180 4.320 -0.000 0.000 0.205 68 K C 1.121 177.443 176.600 -0.464 0.000 1.051 68 K CA 1.975 57.832 56.287 -0.717 0.000 0.941 68 K CB -0.133 32.108 32.500 -0.432 0.000 0.719 68 K HN 0.461 nan 8.250 nan 0.000 0.440 69 E N -1.171 118.867 120.200 -0.270 0.000 2.641 69 E HA 0.073 4.423 4.350 -0.000 0.000 0.224 69 E C 0.454 176.967 176.600 -0.145 0.000 0.951 69 E CA -0.120 56.170 56.400 -0.182 0.000 1.102 69 E CB 0.729 30.369 29.700 -0.099 0.000 1.091 69 E HN 0.051 nan 8.360 nan 0.000 0.507 70 Q N 0.235 119.946 119.800 -0.149 0.000 2.112 70 Q HA 0.180 4.520 4.340 -0.000 0.000 0.222 70 Q C 0.748 176.683 176.000 -0.108 0.000 0.798 70 Q CA 0.295 56.037 55.803 -0.102 0.000 1.060 70 Q CB 1.339 30.039 28.738 -0.063 0.000 1.184 70 Q HN 0.415 nan 8.270 nan 0.000 0.475 71 G N 1.021 109.718 108.800 -0.172 0.000 2.258 71 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.274 71 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.274 71 G C 0.561 175.407 174.900 -0.090 0.000 1.021 71 G CA 0.320 45.324 45.100 -0.160 0.000 0.798 71 G HN 0.500 nan 8.290 nan 0.000 0.507 72 G N 0.023 108.786 108.800 -0.061 0.000 2.634 72 G HA2 0.605 4.565 3.960 -0.000 0.000 0.255 72 G HA3 0.605 4.565 3.960 -0.000 0.000 0.255 72 G C -1.226 173.753 174.900 0.131 0.000 1.205 72 G CA -0.327 44.793 45.100 0.033 0.000 0.884 72 G HN 0.340 nan 8.290 nan 0.000 0.549 73 P HA 0.105 nan 4.420 nan 0.000 0.272 73 P C -0.288 177.138 177.300 0.210 0.000 1.223 73 P CA -0.615 62.577 63.100 0.153 0.000 0.784 73 P CB 1.058 32.804 31.700 0.076 0.000 0.923 74 L N 4.894 126.207 121.223 0.149 0.000 2.513 74 L HA 0.214 4.554 4.340 -0.000 0.000 0.272 74 L C -2.048 174.733 176.870 -0.148 0.000 1.187 74 L CA -1.283 53.476 54.840 -0.135 0.000 0.895 74 L CB -0.907 41.098 42.059 -0.091 0.000 1.147 74 L HN 0.313 nan 8.230 nan 0.000 0.483 75 P HA 0.231 nan 4.420 nan 0.000 0.272 75 P C -2.514 174.731 177.300 -0.091 0.000 1.223 75 P CA -0.904 62.126 63.100 -0.116 0.000 0.784 75 P CB -0.159 31.477 31.700 -0.106 0.000 0.923 76 P HA 0.162 nan 4.420 nan 0.000 0.268 76 P C -0.392 176.897 177.300 -0.018 0.000 1.205 76 P CA -0.090 62.999 63.100 -0.019 0.000 0.771 76 P CB 0.382 32.084 31.700 0.003 0.000 0.858 77 R N 3.282 123.775 120.500 -0.011 0.000 2.248 77 R HA 0.334 4.674 4.340 -0.000 0.000 0.337 77 R C -0.806 175.513 176.300 0.030 0.000 1.106 77 R CA 0.072 56.173 56.100 0.002 0.000 0.959 77 R CB -1.019 29.280 30.300 -0.001 0.000 1.075 77 R HN 0.441 nan 8.270 nan 0.000 0.480 78 L N 2.483 123.734 121.223 0.046 0.000 2.334 78 L HA 0.786 5.126 4.340 -0.000 0.000 0.273 78 L C -0.155 176.780 176.870 0.109 0.000 1.013 78 L CA -1.370 53.516 54.840 0.075 0.000 0.816 78 L CB 2.067 44.171 42.059 0.075 0.000 1.278 78 L HN 0.603 nan 8.230 nan 0.000 0.431 79 A N 1.748 124.653 122.820 0.141 0.000 2.330 79 A HA 0.553 4.873 4.320 -0.000 0.000 0.313 79 A C -1.530 176.209 177.584 0.258 0.000 1.124 79 A CA -0.386 51.762 52.037 0.185 0.000 0.774 79 A CB 0.977 20.074 19.000 0.161 0.000 1.198 79 A HN 0.598 nan 8.150 nan 0.000 0.465 80 Y N 3.356 123.728 120.300 0.120 0.000 2.323 80 Y HA 0.595 5.145 4.550 -0.000 0.000 0.331 80 Y C -0.754 175.223 175.900 0.129 0.000 1.092 80 Y CA -0.821 57.319 58.100 0.067 0.000 1.150 80 Y CB 0.788 39.270 38.460 0.038 0.000 1.200 80 Y HN 0.720 nan 8.280 nan 0.000 0.472 81 Y N 3.014 122.994 120.300 -0.533 0.000 2.576 81 Y HA 0.831 5.381 4.550 -0.000 0.000 0.346 81 Y C -2.065 173.472 175.900 -0.605 0.000 1.018 81 Y CA -1.724 56.135 58.100 -0.401 0.000 1.050 81 Y CB 1.313 39.755 38.460 -0.031 0.000 1.280 81 Y HN 0.354 nan 8.280 nan 0.000 0.474 82 V N 4.688 124.496 119.914 -0.177 0.000 2.569 82 V HA 0.515 4.635 4.120 -0.000 0.000 0.301 82 V C -0.389 175.684 176.094 -0.035 0.000 1.044 82 V CA -0.680 61.525 62.300 -0.158 0.000 0.874 82 V CB 1.337 33.106 31.823 -0.090 0.000 1.002 82 V HN 0.855 nan 8.190 nan 0.000 0.424 83 I N 2.709 123.219 120.570 -0.099 0.000 3.002 83 I HA 0.725 4.894 4.170 -0.000 0.000 0.310 83 I C -1.464 174.506 176.117 -0.245 0.000 1.087 83 I CA -0.988 60.156 61.300 -0.259 0.000 1.017 83 I CB 2.325 40.029 38.000 -0.492 0.000 1.226 83 I HN 0.238 nan 8.210 nan 0.000 0.443 84 L N 2.331 123.404 121.223 -0.251 0.000 2.334 84 L HA 0.559 4.899 4.340 -0.000 0.000 0.273 84 L C -0.461 176.274 176.870 -0.224 0.000 1.013 84 L CA -0.246 54.478 54.840 -0.194 0.000 0.816 84 L CB 1.717 43.699 42.059 -0.128 0.000 1.278 84 L HN 0.829 nan 8.230 nan 0.000 0.431 85 E N 1.562 121.650 120.200 -0.188 0.000 2.191 85 E HA 0.565 4.915 4.350 -0.000 0.000 0.263 85 E C -0.656 175.881 176.600 -0.105 0.000 0.881 85 E CA -0.724 55.573 56.400 -0.172 0.000 0.757 85 E CB 1.984 31.567 29.700 -0.195 0.000 1.147 85 E HN 0.726 nan 8.360 nan 0.000 0.414 86 A N 3.107 125.878 122.820 -0.081 0.000 2.567 86 A HA 0.368 4.688 4.320 -0.000 0.000 0.240 86 A C 1.304 178.863 177.584 -0.041 0.000 1.053 86 A CA 1.021 53.027 52.037 -0.052 0.000 0.755 86 A CB -0.559 18.418 19.000 -0.038 0.000 0.978 86 A HN 1.302 nan 8.150 nan 0.000 0.507 87 G N 1.498 110.279 108.800 -0.032 0.000 2.184 87 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.264 87 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.264 87 G C 0.219 175.105 174.900 -0.024 0.000 0.975 87 G CA 0.736 45.823 45.100 -0.022 0.000 0.642 87 G HN 0.757 nan 8.290 nan 0.000 0.536 88 K N 1.143 121.521 120.400 -0.037 0.000 2.221 88 K HA 0.490 4.810 4.320 -0.000 0.000 0.258 88 K C -2.281 174.296 176.600 -0.038 0.000 0.944 88 K CA -1.704 54.560 56.287 -0.038 0.000 0.823 88 K CB 2.516 34.981 32.500 -0.058 0.000 1.113 88 K HN 0.178 nan 8.250 nan 0.000 0.431 89 P HA 0.151 nan 4.420 nan 0.000 0.275 89 P C 0.557 177.836 177.300 -0.034 0.000 1.228 89 P CA 0.279 63.368 63.100 -0.019 0.000 0.786 89 P CB 0.844 32.544 31.700 -0.001 0.000 0.927 90 G N 1.378 110.156 108.800 -0.036 0.000 2.550 90 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.277 90 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.277 90 G C -0.213 174.625 174.900 -0.103 0.000 1.190 90 G CA 0.512 45.575 45.100 -0.061 0.000 0.971 90 G HN 0.944 nan 8.290 nan 0.000 0.559 91 V N -3.762 116.069 119.914 -0.139 0.000 3.165 91 V HA 0.960 5.080 4.120 -0.000 0.000 0.309 91 V C -0.504 175.497 176.094 -0.154 0.000 1.267 91 V CA -0.489 61.707 62.300 -0.174 0.000 1.067 91 V CB 1.979 33.649 31.823 -0.255 0.000 1.082 91 V HN 1.073 nan 8.190 nan 0.000 0.451 92 K N 0.855 121.158 120.400 -0.162 0.000 2.427 92 K HA 0.649 4.969 4.320 -0.000 0.000 0.252 92 K C -1.218 175.310 176.600 -0.119 0.000 0.931 92 K CA -0.494 55.727 56.287 -0.111 0.000 0.793 92 K CB 2.377 34.783 32.500 -0.157 0.000 1.211 92 K HN 1.022 nan 8.250 nan 0.000 0.426 93 E N 0.885 120.997 120.200 -0.148 0.000 2.392 93 E HA 0.824 5.173 4.350 -0.000 0.000 0.269 93 E C -0.435 175.811 176.600 -0.589 0.000 0.924 93 E CA -1.295 54.853 56.400 -0.420 0.000 0.784 93 E CB 2.285 31.872 29.700 -0.189 0.000 1.292 93 E HN 0.607 nan 8.360 nan 0.000 0.447 94 G N 0.226 108.283 108.800 -1.238 0.000 2.430 94 G HA2 0.424 4.384 3.960 -0.000 0.000 0.300 94 G HA3 0.424 4.384 3.960 -0.000 0.000 0.300 94 G C -1.808 172.736 174.900 -0.595 0.000 1.330 94 G CA -1.052 43.566 45.100 -0.803 0.000 0.813 94 G HN 0.393 nan 8.290 nan 0.000 0.487 95 L N 0.119 121.316 121.223 -0.043 0.000 2.346 95 L HA 0.712 5.052 4.340 -0.000 0.000 0.276 95 L C -0.473 176.528 176.870 0.218 0.000 1.006 95 L CA -1.166 53.754 54.840 0.134 0.000 0.817 95 L CB 2.181 44.303 42.059 0.105 0.000 1.272 95 L HN 0.311 nan 8.230 nan 0.000 0.421 96 V N 1.296 121.348 119.914 0.230 0.000 2.459 96 V HA 0.189 4.309 4.120 -0.000 0.000 0.295 96 V C -0.641 175.512 176.094 0.099 0.000 1.029 96 V CA -0.536 61.855 62.300 0.150 0.000 0.874 96 V CB 2.052 33.957 31.823 0.137 0.000 0.985 96 V HN 0.714 nan 8.190 nan 0.000 0.438 97 D N 3.636 124.075 120.400 0.065 0.000 2.380 97 D HA 0.305 4.945 4.640 -0.000 0.000 0.230 97 D C 1.023 177.347 176.300 0.040 0.000 1.154 97 D CA -0.226 53.803 54.000 0.049 0.000 0.859 97 D CB 1.012 41.834 40.800 0.037 0.000 1.045 97 D HN 0.437 nan 8.370 nan 0.000 0.495 98 L N 3.530 124.776 121.223 0.039 0.000 2.083 98 L HA -0.126 4.214 4.340 -0.000 0.000 0.209 98 L C 2.434 179.315 176.870 0.020 0.000 1.083 98 L CA 1.196 56.053 54.840 0.029 0.000 0.752 98 L CB -0.436 41.640 42.059 0.029 0.000 0.899 98 L HN 0.567 nan 8.230 nan 0.000 0.433 99 A N 0.119 122.950 122.820 0.018 0.000 1.883 99 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 99 A C 2.327 179.919 177.584 0.014 0.000 1.186 99 A CA 2.170 54.215 52.037 0.013 0.000 0.624 99 A CB -0.659 18.348 19.000 0.011 0.000 0.822 99 A HN 0.503 nan 8.150 nan 0.000 0.444 100 S N -1.042 114.669 115.700 0.018 0.000 2.597 100 S HA 0.422 4.892 4.470 -0.000 0.000 0.224 100 S C 0.452 175.063 174.600 0.020 0.000 0.955 100 S CA 0.032 58.243 58.200 0.018 0.000 0.933 100 S CB -0.638 62.574 63.200 0.020 0.000 0.788 100 S HN 0.554 nan 8.310 nan 0.000 0.488 101 L N 2.091 123.326 121.223 0.019 0.000 3.965 101 L HA -0.206 4.134 4.340 -0.000 0.000 0.476 101 L C -0.043 176.840 176.870 0.022 0.000 1.201 101 L CA 0.553 55.404 54.840 0.018 0.000 0.710 101 L CB -2.264 39.803 42.059 0.013 0.000 1.509 101 L HN 0.739 nan 8.230 nan 0.000 0.815 102 S N -2.193 113.522 115.700 0.025 0.000 2.556 102 S HA 0.689 5.159 4.470 -0.000 0.000 0.271 102 S C -0.424 174.184 174.600 0.012 0.000 1.135 102 S CA -1.106 57.111 58.200 0.028 0.000 0.858 102 S CB 2.390 65.612 63.200 0.036 0.000 1.114 102 S HN -0.040 nan 8.310 nan 0.000 0.468 103 V N 2.934 122.828 119.914 -0.032 0.000 2.470 103 V HA 0.218 4.337 4.120 -0.000 0.000 0.276 103 V C 1.145 177.202 176.094 -0.062 0.000 1.040 103 V CA -0.116 62.117 62.300 -0.112 0.000 1.008 103 V CB 0.207 31.723 31.823 -0.512 0.000 0.990 103 V HN 0.902 nan 8.190 nan 0.000 0.477 104 I N 1.174 121.741 120.570 -0.004 0.000 4.018 104 I HA 0.544 4.713 4.170 -0.000 0.000 0.337 104 I C 0.501 176.624 176.117 0.011 0.000 1.327 104 I CA 0.235 61.542 61.300 0.012 0.000 1.100 104 I CB 0.478 38.496 38.000 0.030 0.000 1.025 104 I HN 0.641 nan 8.210 nan 0.000 0.396 105 E N 0.756 120.956 120.200 0.000 0.000 2.388 105 E HA 0.409 4.759 4.350 -0.000 0.000 0.289 105 E C -1.425 175.169 176.600 -0.010 0.000 0.944 105 E CA -0.371 56.033 56.400 0.006 0.000 0.792 105 E CB 2.272 31.985 29.700 0.023 0.000 1.239 105 E HN 0.117 nan 8.360 nan 0.000 0.412 106 T N 2.843 117.400 114.554 0.004 0.000 2.889 106 T HA 0.724 5.074 4.350 -0.000 0.000 0.315 106 T C -1.890 172.853 174.700 0.071 0.000 1.291 106 T CA -0.626 61.496 62.100 0.037 0.000 1.028 106 T CB 1.093 69.998 68.868 0.062 0.000 1.235 106 T HN 0.656 nan 8.240 nan 0.000 0.491 107 R N 1.334 121.879 120.500 0.075 0.000 2.709 107 R HA 0.797 5.137 4.340 -0.000 0.000 0.270 107 R C -1.871 174.463 176.300 0.056 0.000 1.038 107 R CA -1.149 54.995 56.100 0.073 0.000 0.872 107 R CB 0.853 31.182 30.300 0.050 0.000 1.259 107 R HN 0.717 nan 8.270 nan 0.000 0.473 108 A N 2.042 124.892 122.820 0.050 0.000 2.317 108 A HA 0.681 5.001 4.320 -0.000 0.000 0.327 108 A C -1.164 176.421 177.584 0.003 0.000 1.178 108 A CA -0.742 51.306 52.037 0.017 0.000 0.817 108 A CB 1.093 20.109 19.000 0.027 0.000 1.189 108 A HN 0.395 nan 8.150 nan 0.000 0.489 109 L N 2.707 123.913 121.223 -0.029 0.000 2.384 109 L HA 0.351 4.691 4.340 -0.000 0.000 0.261 109 L C 0.881 177.726 176.870 -0.042 0.000 1.024 109 L CA 0.268 55.090 54.840 -0.030 0.000 0.899 109 L CB 0.577 42.605 42.059 -0.051 0.000 1.243 109 L HN 0.921 nan 8.230 nan 0.000 0.449 110 E N 0.307 120.498 120.200 -0.015 0.000 2.427 110 E HA -0.038 4.311 4.350 -0.000 0.000 0.196 110 E C 0.463 177.066 176.600 0.005 0.000 1.028 110 E CA 0.889 57.283 56.400 -0.010 0.000 0.864 110 E CB 0.362 30.064 29.700 0.003 0.000 0.813 110 E HN 0.626 nan 8.360 nan 0.000 0.514 111 T N -1.374 113.190 114.554 0.016 0.000 3.313 111 T HA 0.441 4.791 4.350 -0.000 0.000 0.263 111 T C -0.193 174.539 174.700 0.055 0.000 0.983 111 T CA -0.445 61.681 62.100 0.044 0.000 0.963 111 T CB 0.235 69.137 68.868 0.057 0.000 1.141 111 T HN -0.177 nan 8.240 nan 0.000 0.526 112 V N 0.675 120.602 119.914 0.021 0.000 3.114 112 V HA 0.615 4.735 4.120 -0.000 0.000 0.308 112 V C -1.689 174.402 176.094 -0.006 0.000 1.168 112 V CA -0.789 61.525 62.300 0.023 0.000 1.015 112 V CB 2.579 34.389 31.823 -0.022 0.000 1.050 112 V HN 0.397 nan 8.190 nan 0.000 0.433 113 Q N 3.898 123.721 119.800 0.038 0.000 2.347 113 Q HA 0.525 4.865 4.340 -0.000 0.000 0.271 113 Q C -2.711 173.318 176.000 0.048 0.000 1.064 113 Q CA -1.808 54.009 55.803 0.023 0.000 0.800 113 Q CB 2.795 31.571 28.738 0.064 0.000 1.304 113 Q HN 0.481 nan 8.270 nan 0.000 0.438 114 P HA 0.280 nan 4.420 nan 0.000 0.279 114 P C 0.084 177.454 177.300 0.117 0.000 1.276 114 P CA -0.687 62.484 63.100 0.118 0.000 0.801 114 P CB 1.276 33.007 31.700 0.051 0.000 1.127 115 I N 0.074 120.740 120.570 0.160 0.000 2.932 115 I HA -0.070 4.100 4.170 -0.000 0.000 0.295 115 I C -0.069 176.129 176.117 0.135 0.000 1.227 115 I CA 0.005 61.379 61.300 0.123 0.000 1.429 115 I CB 0.070 38.197 38.000 0.213 0.000 1.339 115 I HN 0.129 nan 8.210 nan 0.000 0.589 116 L N 7.276 128.571 121.223 0.121 0.000 2.260 116 L HA 0.284 4.623 4.340 -0.000 0.000 0.289 116 L C 0.529 177.502 176.870 0.171 0.000 1.057 116 L CA -0.460 54.474 54.840 0.158 0.000 0.811 116 L CB 1.075 43.272 42.059 0.230 0.000 1.184 116 L HN 0.663 nan 8.230 nan 0.000 0.429 117 T N -0.778 113.795 114.554 0.032 0.000 2.847 117 T HA 0.196 4.546 4.350 -0.000 0.000 0.279 117 T C 1.458 176.105 174.700 -0.090 0.000 0.984 117 T CA -0.338 61.657 62.100 -0.173 0.000 0.988 117 T CB 1.541 70.206 68.868 -0.338 0.000 1.040 117 T HN 0.386 nan 8.240 nan 0.000 0.528 118 V N -0.576 119.254 119.914 -0.140 0.000 2.469 118 V HA -0.113 4.007 4.120 -0.000 0.000 0.251 118 V C 2.233 178.313 176.094 -0.022 0.000 1.064 118 V CA 1.822 64.096 62.300 -0.044 0.000 1.066 118 V CB -1.242 30.569 31.823 -0.019 0.000 0.667 118 V HN 0.944 nan 8.190 nan 0.000 0.461 119 E N 0.304 120.475 120.200 -0.048 0.000 2.047 119 E HA -0.191 4.158 4.350 -0.000 0.000 0.191 119 E C 2.092 178.693 176.600 0.002 0.000 0.987 119 E CA 1.490 57.880 56.400 -0.016 0.000 0.799 119 E CB -0.244 29.443 29.700 -0.021 0.000 0.752 119 E HN 0.647 nan 8.360 nan 0.000 0.449 120 D N 0.724 121.124 120.400 -0.001 0.000 2.133 120 D HA -0.180 4.460 4.640 -0.000 0.000 0.195 120 D C 2.090 178.418 176.300 0.048 0.000 0.997 120 D CA 0.995 55.010 54.000 0.026 0.000 0.840 120 D CB -0.125 40.698 40.800 0.038 0.000 0.947 120 D HN 0.187 nan 8.370 nan 0.000 0.452 121 L N 0.040 121.294 121.223 0.052 0.000 2.023 121 L HA -0.111 4.229 4.340 -0.000 0.000 0.205 121 L C 2.781 179.687 176.870 0.061 0.000 1.073 121 L CA 0.639 55.520 54.840 0.068 0.000 0.745 121 L CB -0.627 41.463 42.059 0.051 0.000 0.900 121 L HN 0.092 nan 8.230 nan 0.000 0.435 122 C N 0.294 119.621 119.300 0.046 0.000 2.403 122 C HA -0.170 4.290 4.460 -0.000 0.000 0.282 122 C C 3.269 178.285 174.990 0.043 0.000 1.297 122 C CA 1.443 60.489 59.018 0.047 0.000 1.785 122 C CB -0.909 26.854 27.740 0.039 0.000 1.963 122 C HN 0.705 nan 8.230 nan 0.000 0.507 123 S N -0.692 115.030 115.700 0.037 0.000 2.436 123 S HA -0.122 4.348 4.470 -0.000 0.000 0.228 123 S C 1.512 176.132 174.600 0.034 0.000 1.014 123 S CA 1.717 59.935 58.200 0.030 0.000 0.950 123 S CB -0.776 62.438 63.200 0.024 0.000 0.784 123 S HN 0.602 nan 8.310 nan 0.000 0.504 124 T N 2.381 116.964 114.554 0.048 0.000 2.720 124 T HA -0.147 4.202 4.350 -0.000 0.000 0.268 124 T C 1.670 176.401 174.700 0.052 0.000 1.037 124 T CA 1.813 63.945 62.100 0.054 0.000 1.144 124 T CB -0.473 68.441 68.868 0.077 0.000 0.864 124 T HN 0.670 nan 8.240 nan 0.000 0.444 125 E N 0.429 120.663 120.200 0.056 0.000 2.070 125 E HA -0.225 4.125 4.350 -0.000 0.000 0.197 125 E C 2.227 178.834 176.600 0.012 0.000 1.004 125 E CA 1.330 57.756 56.400 0.042 0.000 0.805 125 E CB -0.041 29.682 29.700 0.040 0.000 0.744 125 E HN 0.297 nan 8.360 nan 0.000 0.451 126 E N -0.217 119.987 120.200 0.007 0.000 2.153 126 E HA -0.139 4.211 4.350 -0.000 0.000 0.194 126 E C 1.942 178.547 176.600 0.008 0.000 0.988 126 E CA 0.934 57.333 56.400 -0.002 0.000 0.811 126 E CB -0.051 29.649 29.700 -0.001 0.000 0.746 126 E HN 0.289 nan 8.360 nan 0.000 0.466 127 V N 0.587 120.511 119.914 0.017 0.000 2.548 127 V HA -0.136 3.984 4.120 -0.000 0.000 0.249 127 V C 1.999 178.108 176.094 0.025 0.000 1.055 127 V CA 1.582 63.893 62.300 0.018 0.000 1.065 127 V CB -0.502 31.331 31.823 0.017 0.000 0.681 127 V HN 0.460 nan 8.190 nan 0.000 0.462 128 I N -1.513 119.080 120.570 0.037 0.000 2.500 128 I HA -0.029 4.141 4.170 -0.000 0.000 0.252 128 I C 2.653 178.801 176.117 0.052 0.000 1.142 128 I CA 1.281 62.614 61.300 0.056 0.000 1.451 128 I CB -0.673 37.377 38.000 0.084 0.000 1.093 128 I HN 0.110 nan 8.210 nan 0.000 0.430 129 R N 1.112 121.632 120.500 0.033 0.000 2.127 129 R HA -0.105 4.235 4.340 -0.000 0.000 0.238 129 R C 1.815 178.130 176.300 0.024 0.000 1.134 129 R CA 1.641 57.756 56.100 0.024 0.000 0.975 129 R CB -0.430 29.866 30.300 -0.006 0.000 0.865 129 R HN 0.567 nan 8.270 nan 0.000 0.447 130 N N 0.622 119.332 118.700 0.018 0.000 2.235 130 N HA -0.060 4.679 4.740 -0.000 0.000 0.209 130 N C -0.912 174.604 175.510 0.010 0.000 1.122 130 N CA -0.121 52.936 53.050 0.013 0.000 0.845 130 N CB 0.417 38.909 38.487 0.008 0.000 1.004 130 N HN 0.081 nan 8.380 nan 0.000 0.499 131 D N 0.357 120.765 120.400 0.014 0.000 2.280 131 D HA 0.203 4.843 4.640 -0.000 0.000 0.243 131 D C -1.656 174.640 176.300 -0.008 0.000 1.129 131 D CA -2.171 51.832 54.000 0.004 0.000 0.848 131 D CB 1.785 42.591 40.800 0.010 0.000 1.107 131 D HN -0.016 nan 8.370 nan 0.000 0.471 132 P HA -0.222 nan 4.420 nan 0.000 0.216 132 P C 0.886 178.155 177.300 -0.051 0.000 1.157 132 P CA 1.638 64.721 63.100 -0.028 0.000 0.880 132 P CB 0.133 31.818 31.700 -0.026 0.000 0.791 133 A N -0.828 121.956 122.820 -0.061 0.000 1.902 133 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 133 A C 2.361 179.861 177.584 -0.140 0.000 1.181 133 A CA 1.921 53.897 52.037 -0.102 0.000 0.623 133 A CB -1.716 17.222 19.000 -0.103 0.000 0.818 133 A HN 0.036 nan 8.150 nan 0.000 0.443 134 V N 0.206 120.069 119.914 -0.085 0.000 2.343 134 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 134 V C 2.424 178.464 176.094 -0.089 0.000 1.051 134 V CA 2.050 64.308 62.300 -0.070 0.000 1.036 134 V CB -0.703 31.168 31.823 0.079 0.000 0.654 134 V HN 0.574 nan 8.190 nan 0.000 0.451 135 I N 0.103 120.647 120.570 -0.043 0.000 2.179 135 I HA -0.292 3.878 4.170 -0.000 0.000 0.242 135 I C 2.610 178.684 176.117 -0.073 0.000 1.088 135 I CA 2.125 63.409 61.300 -0.028 0.000 1.357 135 I CB -0.418 37.575 38.000 -0.012 0.000 1.051 135 I HN 0.424 nan 8.210 nan 0.000 0.409 136 E N 0.640 120.778 120.200 -0.103 0.000 2.085 136 E HA -0.290 4.060 4.350 -0.000 0.000 0.194 136 E C 2.204 178.696 176.600 -0.181 0.000 0.994 136 E CA 1.292 57.621 56.400 -0.119 0.000 0.801 136 E CB 0.060 29.689 29.700 -0.119 0.000 0.743 136 E HN 0.400 nan 8.360 nan 0.000 0.453 137 Q N 0.017 119.626 119.800 -0.317 0.000 2.170 137 Q HA -0.133 4.207 4.340 -0.000 0.000 0.203 137 Q C 2.383 178.167 176.000 -0.360 0.000 0.976 137 Q CA 1.245 56.721 55.803 -0.547 0.000 0.858 137 Q CB -0.618 27.368 28.738 -1.252 0.000 0.907 137 Q HN 0.456 nan 8.270 nan 0.000 0.433 138 C N -0.416 118.787 119.300 -0.161 0.000 2.446 138 C HA -0.046 4.414 4.460 -0.000 0.000 0.277 138 C C 2.846 177.834 174.990 -0.003 0.000 1.275 138 C CA 0.315 59.362 59.018 0.050 0.000 1.727 138 C CB -0.900 26.904 27.740 0.106 0.000 2.010 138 C HN 0.249 nan 8.230 nan 0.000 0.486 139 V N 0.651 120.542 119.914 -0.038 0.000 2.295 139 V HA -0.198 3.921 4.120 -0.000 0.000 0.246 139 V C 2.395 178.464 176.094 -0.042 0.000 1.049 139 V CA 1.647 63.926 62.300 -0.035 0.000 1.024 139 V CB -0.665 31.135 31.823 -0.038 0.000 0.648 139 V HN 0.403 nan 8.190 nan 0.000 0.447 140 L N 0.130 121.315 121.223 -0.064 0.000 2.127 140 L HA -0.118 4.222 4.340 -0.000 0.000 0.211 140 L C 2.378 179.230 176.870 -0.030 0.000 1.089 140 L CA 1.857 56.663 54.840 -0.057 0.000 0.757 140 L CB -0.841 41.164 42.059 -0.090 0.000 0.899 140 L HN 0.283 nan 8.230 nan 0.000 0.434 141 S N -0.860 114.834 115.700 -0.011 0.000 2.603 141 S HA 0.257 4.727 4.470 -0.000 0.000 0.220 141 S C 1.350 175.941 174.600 -0.015 0.000 0.967 141 S CA 0.656 58.871 58.200 0.025 0.000 0.920 141 S CB -0.017 63.259 63.200 0.126 0.000 0.773 141 S HN 0.647 nan 8.310 nan 0.000 0.529 142 G N 1.267 110.047 108.800 -0.033 0.000 2.138 142 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.193 142 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.193 142 G C -0.125 174.722 174.900 -0.089 0.000 0.998 142 G CA -0.509 44.557 45.100 -0.056 0.000 0.668 142 G HN 0.472 nan 8.290 nan 0.000 0.516 143 I N 1.313 121.840 120.570 -0.071 0.000 2.382 143 I HA 0.308 4.477 4.170 -0.000 0.000 0.286 143 I C -2.258 173.851 176.117 -0.013 0.000 1.002 143 I CA -2.513 58.743 61.300 -0.073 0.000 1.135 143 I CB 2.135 40.090 38.000 -0.074 0.000 1.288 143 I HN -0.177 nan 8.210 nan 0.000 0.448 144 P HA -0.030 nan 4.420 nan 0.000 0.264 144 P C 0.597 177.916 177.300 0.032 0.000 1.183 144 P CA 0.116 63.227 63.100 0.019 0.000 0.763 144 P CB 0.872 32.593 31.700 0.034 0.000 0.807 145 A N 4.155 126.989 122.820 0.023 0.000 2.076 145 A HA -0.219 4.101 4.320 -0.000 0.000 0.220 145 A C 1.549 179.162 177.584 0.048 0.000 1.160 145 A CA 1.819 53.873 52.037 0.027 0.000 0.653 145 A CB -1.287 17.720 19.000 0.012 0.000 0.801 145 A HN 0.797 nan 8.150 nan 0.000 0.455 146 N N -1.392 117.343 118.700 0.058 0.000 2.383 146 N HA 0.027 4.767 4.740 -0.000 0.000 0.192 146 N C 0.432 176.031 175.510 0.147 0.000 1.141 146 N CA 0.344 53.443 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 -0.034 120.241 120.200 0.126 0.000 2.734 147 E HA 0.183 4.533 4.350 -0.000 0.000 0.211 147 E C 0.748 177.346 176.600 -0.003 0.000 0.991 147 E CA -0.330 56.133 56.400 0.103 0.000 1.065 147 E CB 0.367 30.115 29.700 0.080 0.000 1.047 147 E HN 0.312 nan 8.360 nan 0.000 0.470 148 M N 0.834 120.479 119.600 0.075 0.000 2.346 148 M HA -0.144 4.336 4.480 -0.000 0.000 0.263 148 M C 1.942 178.228 176.300 -0.023 0.000 1.064 148 M CA 1.409 56.735 55.300 0.043 0.000 1.083 148 M CB -1.022 31.613 32.600 0.058 0.000 1.399 148 M HN 0.378 nan 8.290 nan 0.000 0.435 149 H N -0.971 118.089 119.070 -0.018 0.000 2.559 149 H HA 0.030 4.586 4.556 -0.000 0.000 0.273 149 H C 1.001 176.262 175.328 -0.111 0.000 1.000 149 H CA 0.731 56.726 56.048 -0.088 0.000 1.195 149 H CB -0.398 29.331 29.762 -0.055 0.000 1.368 149 H HN 0.362 nan 8.280 nan 0.000 0.592 150 K N 0.891 120.980 120.400 -0.519 0.000 2.374 150 K HA 0.209 4.529 4.320 -0.000 0.000 0.196 150 K C 0.022 176.643 176.600 0.036 0.000 1.023 150 K CA -0.089 56.032 56.287 -0.277 0.000 1.103 150 K CB 1.197 33.505 32.500 -0.321 0.000 0.848 150 K HN 0.003 nan 8.250 nan 0.000 0.528 151 V N 2.008 121.929 119.914 0.012 0.000 2.465 151 V HA 0.210 4.330 4.120 -0.000 0.000 0.279 151 V C -0.639 175.448 176.094 -0.011 0.000 1.045 151 V CA -0.436 61.958 62.300 0.156 0.000 0.938 151 V CB 0.371 32.275 31.823 0.135 0.000 0.986 151 V HN 0.037 nan 8.190 nan 0.000 0.467 152 Y N 2.649 122.995 120.300 0.077 0.000 2.662 152 Y HA 0.800 5.350 4.550 -0.000 0.000 0.335 152 Y C 0.184 176.155 175.900 0.119 0.000 1.066 152 Y CA -1.020 57.125 58.100 0.075 0.000 1.116 152 Y CB 2.046 40.528 38.460 0.037 0.000 1.308 152 Y HN 0.866 nan 8.280 nan 0.000 0.502 153 C N -1.080 118.406 119.300 0.310 0.000 3.181 153 C HA 0.592 5.052 4.460 -0.000 0.000 0.362 153 C C -1.894 173.274 174.990 0.296 0.000 1.125 153 C CA -0.999 58.185 59.018 0.275 0.000 1.265 153 C CB 1.262 29.093 27.740 0.152 0.000 1.632 153 C HN 0.753 nan 8.230 nan 0.000 0.525 154 D N 4.524 125.151 120.400 0.379 0.000 2.317 154 D HA 0.476 5.116 4.640 -0.000 0.000 0.234 154 D C -2.283 174.281 176.300 0.441 0.000 1.112 154 D CA -1.143 53.109 54.000 0.420 0.000 0.840 154 D CB 1.836 43.002 40.800 0.610 0.000 1.078 154 D HN 0.579 nan 8.370 nan 0.000 0.486 155 P HA 0.176 nan 4.420 nan 0.000 0.286 155 P C -0.713 176.848 177.300 0.435 0.000 1.321 155 P CA -0.484 62.802 63.100 0.310 0.000 0.790 155 P CB 0.355 32.170 31.700 0.192 0.000 0.897 156 W N 1.804 123.190 121.300 0.143 0.000 2.481 156 W HA 0.363 5.023 4.660 -0.000 0.000 0.369 156 W C 0.688 177.331 176.519 0.206 0.000 1.235 156 W CA -0.366 57.116 57.345 0.228 0.000 1.344 156 W CB 0.140 29.708 29.460 0.181 0.000 1.360 156 W HN 0.151 nan 8.180 nan 0.000 0.658 157 T N 1.780 116.611 114.554 0.462 0.000 2.813 157 T HA 0.062 4.412 4.350 -0.000 0.000 0.297 157 T C 1.146 175.976 174.700 0.218 0.000 1.036 157 T CA -0.466 61.765 62.100 0.218 0.000 1.044 157 T CB 0.662 69.570 68.868 0.066 0.000 0.993 157 T HN 0.465 nan 8.240 nan 0.000 0.535 158 I N 0.421 121.066 120.570 0.125 0.000 3.291 158 I HA 0.076 4.246 4.170 -0.000 0.000 0.279 158 I C 1.699 177.860 176.117 0.074 0.000 1.294 158 I CA 1.112 62.464 61.300 0.087 0.000 1.428 158 I CB -0.888 37.142 38.000 0.051 0.000 1.070 158 I HN 1.033 nan 8.210 nan 0.000 0.478 159 G N 1.014 109.857 108.800 0.072 0.000 5.306 159 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.318 159 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.318 159 G C 0.047 175.057 174.900 0.182 0.000 1.413 159 G CA 0.615 45.716 45.100 0.003 0.000 0.981 159 G HN 0.469 nan 8.290 nan 0.000 0.788 160 Y N 1.543 121.877 120.300 0.057 0.000 2.409 160 Y HA 0.552 5.102 4.550 -0.000 0.000 0.321 160 Y C -2.294 173.655 175.900 0.082 0.000 1.209 160 Y CA -0.514 57.636 58.100 0.083 0.000 1.086 160 Y CB 1.908 40.409 38.460 0.069 0.000 1.320 160 Y HN 0.454 nan 8.280 nan 0.000 0.440 161 D N 5.606 125.534 120.400 -0.786 0.000 2.686 161 D HA 0.126 4.766 4.640 -0.000 0.000 0.249 161 D C 0.556 176.383 176.300 -0.789 0.000 1.260 161 D CA -0.234 53.447 54.000 -0.531 0.000 0.910 161 D CB 1.498 42.284 40.800 -0.024 0.000 1.323 161 D HN 0.847 nan 8.370 nan 0.000 0.561 162 E N 3.638 123.442 120.200 -0.659 0.000 2.396 162 E HA -0.201 4.149 4.350 -0.000 0.000 0.200 162 E C 0.816 177.189 176.600 -0.378 0.000 1.023 162 E CA 0.716 56.883 56.400 -0.388 0.000 0.857 162 E CB -0.029 29.601 29.700 -0.118 0.000 0.775 162 E HN 0.480 nan 8.360 nan 0.000 0.525 163 R N -0.820 119.343 120.500 -0.561 0.000 2.193 163 R HA 0.035 4.375 4.340 -0.000 0.000 0.213 163 R C 1.359 177.048 176.300 -1.018 0.000 1.055 163 R CA 1.230 56.768 56.100 -0.936 0.000 0.995 163 R CB 0.056 29.398 30.300 -1.597 0.000 0.893 163 R HN 0.336 nan 8.270 nan 0.000 0.459 164 W N -0.713 120.482 121.300 -0.174 0.000 2.661 164 W HA 0.320 4.980 4.660 -0.000 0.000 0.288 164 W C 1.036 177.514 176.519 -0.070 0.000 1.014 164 W CA 0.459 57.738 57.345 -0.109 0.000 1.396 164 W CB -0.045 29.357 29.460 -0.097 0.000 0.963 164 W HN 0.215 nan 8.180 nan 0.000 0.584 165 G N 2.119 110.951 108.800 0.055 0.000 2.611 165 G HA2 -0.423 3.537 3.960 -0.000 0.000 0.301 165 G HA3 -0.423 3.537 3.960 -0.000 0.000 0.301 165 G C 0.741 175.765 174.900 0.206 0.000 1.233 165 G CA 2.242 47.438 45.100 0.161 0.000 0.993 165 G HN 0.174 nan 8.290 nan 0.000 0.553 166 T N -1.896 112.774 114.554 0.194 0.000 3.174 166 T HA 0.519 4.869 4.350 -0.000 0.000 0.269 166 T C 2.060 176.829 174.700 0.115 0.000 1.017 166 T CA 0.973 63.169 62.100 0.160 0.000 0.899 166 T CB 0.684 69.648 68.868 0.159 0.000 1.077 166 T HN 1.628 nan 8.240 nan 0.000 0.552 167 G N 1.817 110.693 108.800 0.126 0.000 2.450 167 G HA2 0.003 3.963 3.960 -0.000 0.000 0.220 167 G HA3 0.003 3.963 3.960 -0.000 0.000 0.220 167 G C 0.400 175.346 174.900 0.077 0.000 1.130 167 G CA 0.275 45.437 45.100 0.103 0.000 0.760 167 G HN 0.530 nan 8.290 nan 0.000 0.557 168 K N -0.956 119.487 120.400 0.071 0.000 2.469 168 K HA 0.421 4.741 4.320 -0.000 0.000 0.254 168 K C -0.719 175.883 176.600 0.004 0.000 0.939 168 K CA -0.901 55.395 56.287 0.014 0.000 0.812 168 K CB 2.357 34.834 32.500 -0.038 0.000 1.301 168 K HN -0.030 nan 8.250 nan 0.000 0.433 169 R N 2.691 123.185 120.500 -0.009 0.000 2.296 169 R HA 0.206 4.545 4.340 -0.000 0.000 0.323 169 R C -1.068 175.216 176.300 -0.026 0.000 1.067 169 R CA -0.289 55.810 56.100 -0.002 0.000 0.946 169 R CB 0.203 30.501 30.300 -0.003 0.000 0.991 169 R HN 0.272 nan 8.270 nan 0.000 0.448 170 L N 3.245 124.455 121.223 -0.020 0.000 2.341 170 L HA 0.462 4.801 4.340 -0.000 0.000 0.267 170 L C -0.294 176.578 176.870 0.003 0.000 1.009 170 L CA -0.572 54.233 54.840 -0.057 0.000 0.819 170 L CB 2.003 43.983 42.059 -0.132 0.000 1.323 170 L HN 0.660 nan 8.230 nan 0.000 0.425 171 Q N 1.169 120.972 119.800 0.005 0.000 2.433 171 Q HA 0.615 4.955 4.340 -0.000 0.000 0.279 171 Q C -1.279 174.755 176.000 0.057 0.000 1.105 171 Q CA -0.839 55.009 55.803 0.076 0.000 0.815 171 Q CB 3.195 31.995 28.738 0.103 0.000 1.403 171 Q HN 0.610 nan 8.270 nan 0.000 0.435 172 Q N -0.047 119.818 119.800 0.109 0.000 2.353 172 Q HA 0.795 5.134 4.340 -0.000 0.000 0.268 172 Q C -1.536 174.509 176.000 0.075 0.000 1.045 172 Q CA -0.975 54.863 55.803 0.058 0.000 0.811 172 Q CB 1.905 30.653 28.738 0.017 0.000 1.305 172 Q HN 0.544 nan 8.270 nan 0.000 0.447 173 A N 4.737 127.581 122.820 0.040 0.000 2.249 173 A HA 0.464 4.784 4.320 -0.000 0.000 0.314 173 A C -0.408 177.145 177.584 -0.052 0.000 1.290 173 A CA -0.816 51.249 52.037 0.047 0.000 0.893 173 A CB 0.433 19.472 19.000 0.065 0.000 1.165 173 A HN 0.839 nan 8.150 nan 0.000 0.530 174 L N 4.140 125.328 121.223 -0.059 0.000 2.295 174 L HA 0.220 4.560 4.340 -0.000 0.000 0.288 174 L C -0.369 176.402 176.870 -0.166 0.000 1.079 174 L CA -0.497 54.244 54.840 -0.165 0.000 0.830 174 L CB 0.727 42.707 42.059 -0.133 0.000 1.200 174 L HN 0.426 nan 8.230 nan 0.000 0.438 175 V N 4.312 124.000 119.914 -0.376 0.000 2.530 175 V HA 0.242 4.362 4.120 -0.000 0.000 0.282 175 V C -0.297 175.456 176.094 -0.568 0.000 1.048 175 V CA -0.120 61.966 62.300 -0.357 0.000 0.997 175 V CB 0.688 32.208 31.823 -0.505 0.000 0.987 175 V HN 0.424 nan 8.190 nan 0.000 0.477 176 Y N 2.862 123.175 120.300 0.022 0.000 2.665 176 Y HA 0.665 5.215 4.550 -0.000 0.000 0.336 176 Y C -0.756 175.270 175.900 0.210 0.000 1.085 176 Y CA -1.010 57.127 58.100 0.062 0.000 1.096 176 Y CB 1.973 40.391 38.460 -0.070 0.000 1.301 176 Y HN 0.578 nan 8.280 nan 0.000 0.493 177 Y N 0.960 121.429 120.300 0.282 0.000 2.433 177 Y HA 0.630 5.180 4.550 -0.000 0.000 0.337 177 Y C -1.376 174.660 175.900 0.227 0.000 1.026 177 Y CA -1.259 56.985 58.100 0.240 0.000 1.037 177 Y CB 1.332 39.911 38.460 0.199 0.000 1.245 177 Y HN 0.538 nan 8.280 nan 0.000 0.443 178 R N 3.337 123.457 120.500 -0.634 0.000 2.445 178 R HA 0.324 4.664 4.340 -0.000 0.000 0.308 178 R C 0.556 176.170 176.300 -1.143 0.000 0.961 178 R CA -0.038 55.581 56.100 -0.803 0.000 0.862 178 R CB 1.765 31.672 30.300 -0.655 0.000 1.144 178 R HN 0.888 nan 8.270 nan 0.000 0.447 179 S N 0.228 115.278 115.700 -1.083 0.000 2.470 179 S HA -0.063 4.407 4.470 -0.000 0.000 0.225 179 S C 0.385 174.755 174.600 -0.383 0.000 1.006 179 S CA 0.467 58.319 58.200 -0.579 0.000 0.934 179 S CB 0.043 63.109 63.200 -0.222 0.000 0.778 179 S HN 0.668 nan 8.310 nan 0.000 0.517 180 D N 0.401 120.534 120.400 -0.445 0.000 2.857 180 D HA 0.237 4.877 4.640 -0.000 0.000 0.227 180 D C 0.660 176.796 176.300 -0.273 0.000 1.192 180 D CA -0.571 53.273 54.000 -0.259 0.000 0.857 180 D CB 1.620 42.303 40.800 -0.195 0.000 1.645 180 D HN 0.164 nan 8.370 nan 0.000 0.482 181 E N 1.413 121.524 120.200 -0.149 0.000 2.267 181 E HA -0.215 4.134 4.350 -0.000 0.000 0.197 181 E C 0.189 176.671 176.600 -0.196 0.000 0.998 181 E CA 1.025 57.350 56.400 -0.124 0.000 0.830 181 E CB 0.024 29.720 29.700 -0.007 0.000 0.751 181 E HN 0.349 nan 8.360 nan 0.000 0.491 182 D N 1.070 121.354 120.400 -0.193 0.000 2.340 182 D HA 0.034 4.674 4.640 -0.000 0.000 0.220 182 D C -0.130 176.040 176.300 -0.217 0.000 1.039 182 D CA 0.179 54.059 54.000 -0.200 0.000 0.866 182 D CB -0.033 40.661 40.800 -0.178 0.000 0.913 182 D HN 0.169 nan 8.370 nan 0.000 0.523 183 D N 0.022 120.228 120.400 -0.322 0.000 2.363 183 D HA 0.005 4.645 4.640 -0.000 0.000 0.240 183 D C 0.157 176.238 176.300 -0.366 0.000 1.236 183 D CA 0.287 54.032 54.000 -0.425 0.000 0.927 183 D CB 0.793 41.217 40.800 -0.628 0.000 1.150 183 D HN -0.206 nan 8.370 nan 0.000 0.458 184 S N -0.101 115.407 115.700 -0.321 0.000 2.461 184 S HA 0.047 4.517 4.470 -0.000 0.000 0.322 184 S C 1.214 175.766 174.600 -0.081 0.000 1.063 184 S CA -0.696 57.395 58.200 -0.180 0.000 1.120 184 S CB 0.383 63.491 63.200 -0.153 0.000 0.968 184 S HN 0.346 nan 8.310 nan 0.000 0.467 185 Q N 3.873 123.506 119.800 -0.279 0.000 2.308 185 Q HA -0.211 4.129 4.340 -0.000 0.000 0.209 185 Q C 0.455 176.334 176.000 -0.202 0.000 0.985 185 Q CA 1.787 57.430 55.803 -0.267 0.000 0.881 185 Q CB -0.710 27.704 28.738 -0.541 0.000 0.917 185 Q HN 0.871 nan 8.270 nan 0.000 0.443 186 Y N 2.168 122.429 120.300 -0.065 0.000 2.465 186 Y HA -0.148 4.402 4.550 -0.000 0.000 0.289 186 Y C 2.609 178.704 175.900 0.326 0.000 1.150 186 Y CA 1.303 59.419 58.100 0.027 0.000 1.293 186 Y CB -0.188 38.287 38.460 0.025 0.000 0.977 186 Y HN 0.390 nan 8.280 nan 0.000 0.556 187 S N -1.832 114.113 115.700 0.409 0.000 2.558 187 S HA -0.018 4.452 4.470 -0.000 0.000 0.217 187 S C 0.130 174.762 174.600 0.053 0.000 0.975 187 S CA 0.213 58.603 58.200 0.317 0.000 0.912 187 S CB -0.383 62.904 63.200 0.145 0.000 0.776 187 S HN 0.447 nan 8.310 nan 0.000 0.526 188 H N 2.287 121.432 119.070 0.126 0.000 2.336 188 H HA 0.462 5.018 4.556 -0.000 0.000 0.230 188 H C -2.798 172.650 175.328 0.199 0.000 1.426 188 H CA -1.696 54.426 56.048 0.124 0.000 1.359 188 H CB 0.887 30.713 29.762 0.106 0.000 1.555 188 H HN 0.360 nan 8.280 nan 0.000 0.512 189 P HA 0.136 nan 4.420 nan 0.000 0.279 189 P C -0.180 176.977 177.300 -0.238 0.000 1.252 189 P CA -0.379 62.602 63.100 -0.197 0.000 0.811 189 P CB 2.060 33.609 31.700 -0.252 0.000 1.035 190 L N 1.419 122.430 121.223 -0.353 0.000 2.358 190 L HA 0.263 4.603 4.340 -0.000 0.000 0.268 190 L C 1.693 178.384 176.870 -0.297 0.000 1.032 190 L CA -0.527 54.142 54.840 -0.285 0.000 0.805 190 L CB 0.875 42.713 42.059 -0.368 0.000 1.253 190 L HN 0.381 nan 8.230 nan 0.000 0.452 191 D N -0.296 120.043 120.400 -0.102 0.000 2.347 191 D HA -0.061 4.578 4.640 -0.000 0.000 0.213 191 D C 0.177 176.636 176.300 0.264 0.000 0.985 191 D CA 0.341 54.377 54.000 0.060 0.000 0.879 191 D CB -0.110 40.755 40.800 0.108 0.000 0.919 191 D HN 0.230 nan 8.370 nan 0.000 0.526 192 F N -0.562 119.449 119.950 0.102 0.000 2.497 192 F HA 0.612 5.138 4.527 -0.000 0.000 0.331 192 F C -0.543 175.296 175.800 0.064 0.000 1.060 192 F CA -2.181 55.872 58.000 0.088 0.000 0.989 192 F CB 1.122 40.147 39.000 0.042 0.000 1.245 192 F HN -0.118 nan 8.300 nan 0.000 0.486 193 C N 3.826 123.252 119.300 0.210 0.000 2.407 193 C HA 0.635 5.095 4.460 -0.000 0.000 0.328 193 C C -2.872 172.231 174.990 0.187 0.000 1.137 193 C CA -1.980 57.086 59.018 0.081 0.000 1.390 193 C CB 0.528 28.265 27.740 -0.004 0.000 1.989 193 C HN 0.686 nan 8.230 nan 0.000 0.432 194 P HA 0.359 nan 4.420 nan 0.000 0.279 194 P C -0.733 176.625 177.300 0.097 0.000 1.239 194 P CA -0.167 63.032 63.100 0.166 0.000 0.789 194 P CB 0.517 32.317 31.700 0.167 0.000 0.933 195 I N 3.625 124.243 120.570 0.080 0.000 2.339 195 I HA 0.278 4.448 4.170 -0.000 0.000 0.290 195 I C -0.108 175.960 176.117 -0.081 0.000 0.994 195 I CA -0.632 60.646 61.300 -0.037 0.000 1.191 195 I CB 1.229 39.132 38.000 -0.161 0.000 1.343 195 I HN 0.041 nan 8.210 nan 0.000 0.458 196 V N 5.120 124.988 119.914 -0.076 0.000 2.555 196 V HA 0.282 4.402 4.120 -0.000 0.000 0.302 196 V C 0.043 176.083 176.094 -0.091 0.000 1.038 196 V CA -0.813 61.451 62.300 -0.061 0.000 0.887 196 V CB 2.351 34.172 31.823 -0.003 0.000 0.991 196 V HN 0.613 nan 8.190 nan 0.000 0.434 197 D N 3.121 123.465 120.400 -0.093 0.000 2.374 197 D HA 0.104 4.744 4.640 -0.000 0.000 0.240 197 D C 1.259 177.534 176.300 -0.041 0.000 1.229 197 D CA 0.163 54.110 54.000 -0.088 0.000 0.895 197 D CB 1.580 42.330 40.800 -0.082 0.000 1.046 197 D HN 0.630 nan 8.370 nan 0.000 0.498 198 T N 2.995 117.533 114.554 -0.027 0.000 2.635 198 T HA -0.175 4.175 4.350 -0.000 0.000 0.267 198 T C 0.743 175.439 174.700 -0.007 0.000 1.040 198 T CA 1.129 63.227 62.100 -0.004 0.000 1.156 198 T CB 0.099 68.972 68.868 0.010 0.000 0.863 198 T HN 0.456 nan 8.240 nan 0.000 0.430 199 E N 1.313 121.504 120.200 -0.015 0.000 2.341 199 E HA 0.223 4.573 4.350 -0.000 0.000 0.279 199 E C 0.319 176.908 176.600 -0.017 0.000 1.395 199 E CA 0.078 56.469 56.400 -0.016 0.000 1.648 199 E CB 0.416 30.103 29.700 -0.022 0.000 1.524 199 E HN 0.465 nan 8.360 nan 0.000 0.462 200 E N -0.100 120.091 120.200 -0.015 0.000 2.267 200 E HA -0.006 4.344 4.350 -0.000 0.000 0.186 200 E C -0.388 176.206 176.600 -0.011 0.000 0.954 200 E CA -0.011 56.381 56.400 -0.014 0.000 1.414 200 E CB 0.269 29.957 29.700 -0.020 0.000 2.698 200 E HN 0.174 nan 8.360 nan 0.000 0.927 201 K N 1.726 122.120 120.400 -0.009 0.000 3.278 201 K HA -0.240 4.080 4.320 -0.000 0.000 0.270 201 K C -0.338 176.260 176.600 -0.004 0.000 0.955 201 K CA 1.327 57.612 56.287 -0.004 0.000 0.723 201 K CB -1.479 31.022 32.500 0.001 0.000 1.382 201 K HN 0.264 nan 8.250 nan 0.000 0.461 202 K N -2.281 118.112 120.400 -0.011 0.000 2.527 202 K HA 0.485 4.805 4.320 -0.000 0.000 0.260 202 K C -0.531 176.058 176.600 -0.018 0.000 0.937 202 K CA -1.200 55.081 56.287 -0.010 0.000 0.826 202 K CB 1.782 34.276 32.500 -0.009 0.000 1.359 202 K HN -0.099 nan 8.250 nan 0.000 0.434 203 V N 4.077 123.986 119.914 -0.007 0.000 2.470 203 V HA 0.085 4.205 4.120 -0.000 0.000 0.276 203 V C 1.222 177.311 176.094 -0.007 0.000 1.040 203 V CA -0.205 62.092 62.300 -0.006 0.000 1.008 203 V CB 0.319 32.148 31.823 0.012 0.000 0.990 203 V HN 0.885 nan 8.190 nan 0.000 0.477 204 I N 1.794 122.348 120.570 -0.026 0.000 3.941 204 I HA 0.524 4.694 4.170 -0.000 0.000 0.321 204 I C 0.116 176.337 176.117 0.174 0.000 1.284 204 I CA 0.526 61.832 61.300 0.010 0.000 1.226 204 I CB 0.394 38.329 38.000 -0.108 0.000 1.045 204 I HN 0.463 nan 8.210 nan 0.000 0.420 205 F N 0.935 120.859 119.950 -0.043 0.000 2.746 205 F HA 0.588 5.115 4.527 -0.000 0.000 0.311 205 F C -2.015 173.824 175.800 0.065 0.000 1.135 205 F CA -1.033 57.001 58.000 0.057 0.000 0.954 205 F CB 1.519 40.631 39.000 0.187 0.000 1.276 205 F HN -0.229 nan 8.300 nan 0.000 0.440 206 I N 3.891 124.306 120.570 -0.258 0.000 2.478 206 I HA 0.280 4.450 4.170 -0.000 0.000 0.287 206 I C -1.285 174.880 176.117 0.080 0.000 1.042 206 I CA -0.810 60.496 61.300 0.009 0.000 1.067 206 I CB 1.754 39.715 38.000 -0.066 0.000 1.233 206 I HN 0.357 nan 8.210 nan 0.000 0.431 207 D N 7.765 128.388 120.400 0.372 0.000 2.339 207 D HA 0.411 5.051 4.640 -0.000 0.000 0.256 207 D C -0.239 176.229 176.300 0.279 0.000 1.214 207 D CA 0.374 54.632 54.000 0.430 0.000 0.877 207 D CB 1.506 42.570 40.800 0.440 0.000 1.111 207 D HN 0.305 nan 8.370 nan 0.000 0.478 208 I N 4.546 125.240 120.570 0.207 0.000 2.436 208 I HA 0.236 4.406 4.170 -0.000 0.000 0.289 208 I C -1.901 174.305 176.117 0.148 0.000 1.010 208 I CA -1.908 59.488 61.300 0.160 0.000 1.098 208 I CB 2.102 40.132 38.000 0.050 0.000 1.266 208 I HN 0.078 nan 8.210 nan 0.000 0.434 209 P HA 0.208 nan 4.420 nan 0.000 0.274 209 P C -0.238 177.121 177.300 0.098 0.000 1.237 209 P CA -0.356 62.832 63.100 0.147 0.000 0.793 209 P CB 1.148 32.968 31.700 0.199 0.000 0.977 210 N N 0.726 119.472 118.700 0.077 0.000 2.216 210 N HA -0.054 4.686 4.740 -0.000 0.000 0.183 210 N C 0.620 176.165 175.510 0.057 0.000 1.017 210 N CA 0.901 53.981 53.050 0.051 0.000 0.861 210 N CB -0.087 38.421 38.487 0.036 0.000 0.986 210 N HN 0.469 nan 8.380 nan 0.000 0.428 211 R N 1.976 122.523 120.500 0.079 0.000 2.196 211 R HA 0.284 4.624 4.340 -0.000 0.000 0.340 211 R C -0.266 176.085 176.300 0.085 0.000 1.043 211 R CA -0.330 55.816 56.100 0.076 0.000 0.883 211 R CB 0.342 30.695 30.300 0.088 0.000 1.078 211 R HN -0.150 nan 8.270 nan 0.000 0.462 212 R N 2.921 123.458 120.500 0.061 0.000 2.410 212 R HA 0.385 4.725 4.340 -0.000 0.000 0.288 212 R C -0.270 176.056 176.300 0.042 0.000 1.051 212 R CA -0.821 55.315 56.100 0.060 0.000 1.021 212 R CB 0.772 31.096 30.300 0.040 0.000 1.032 212 R HN 0.500 nan 8.270 nan 0.000 0.481 213 R N 1.412 121.934 120.500 0.036 0.000 2.502 213 R HA 0.329 4.669 4.340 -0.000 0.000 0.300 213 R C -0.377 175.921 176.300 -0.004 0.000 0.984 213 R CA -0.510 55.589 56.100 -0.000 0.000 0.882 213 R CB 1.868 32.143 30.300 -0.041 0.000 1.180 213 R HN 0.353 nan 8.270 nan 0.000 0.444 214 K N 1.242 121.638 120.400 -0.008 0.000 2.107 214 K HA 0.336 4.656 4.320 -0.000 0.000 0.251 214 K C -0.085 176.499 176.600 -0.027 0.000 1.012 214 K CA -0.858 55.423 56.287 -0.010 0.000 0.920 214 K CB 0.847 33.338 32.500 -0.015 0.000 1.033 214 K HN 0.222 nan 8.250 nan 0.000 0.478 215 V N 0.998 120.891 119.914 -0.035 0.000 2.843 215 V HA -0.112 4.007 4.120 -0.000 0.000 0.305 215 V C 0.741 176.839 176.094 0.007 0.000 1.120 215 V CA -0.118 62.165 62.300 -0.029 0.000 1.254 215 V CB 0.572 32.329 31.823 -0.110 0.000 0.901 215 V HN 0.802 nan 8.190 nan 0.000 0.503 216 S N 2.805 118.516 115.700 0.018 0.000 2.549 216 S HA 0.112 4.582 4.470 -0.000 0.000 0.286 216 S C 0.800 175.493 174.600 0.155 0.000 1.314 216 S CA -0.190 58.020 58.200 0.017 0.000 1.062 216 S CB 0.281 63.330 63.200 -0.251 0.000 0.865 216 S HN 0.793 nan 8.310 nan 0.000 0.498 217 K N 2.345 122.778 120.400 0.056 0.000 2.404 217 K HA 0.129 4.449 4.320 -0.000 0.000 0.194 217 K C -0.001 176.611 176.600 0.020 0.000 1.023 217 K CA 0.029 56.329 56.287 0.022 0.000 1.094 217 K CB 0.069 32.514 32.500 -0.092 0.000 0.841 217 K HN 0.703 nan 8.250 nan 0.000 0.523 218 H N 1.106 120.278 119.070 0.170 0.000 2.597 218 H HA 0.069 4.625 4.556 -0.000 0.000 0.370 218 H C 0.067 175.603 175.328 0.347 0.000 1.281 218 H CA -0.182 55.975 56.048 0.182 0.000 1.422 218 H CB 0.528 30.336 29.762 0.077 0.000 1.524 218 H HN -0.020 nan 8.280 nan 0.000 0.607 219 K N 0.316 120.984 120.400 0.446 0.000 2.154 219 K HA 0.209 4.529 4.320 -0.000 0.000 0.264 219 K C -0.726 176.164 176.600 0.483 0.000 1.008 219 K CA -0.681 55.847 56.287 0.401 0.000 0.937 219 K CB 0.456 33.124 32.500 0.279 0.000 1.002 219 K HN 0.498 nan 8.250 nan 0.000 0.469 220 H N 0.130 119.333 119.070 0.222 0.000 2.897 220 H HA 0.117 4.673 4.556 -0.000 0.000 0.347 220 H C -0.239 175.085 175.328 -0.005 0.000 1.068 220 H CA 0.590 56.721 56.048 0.139 0.000 1.426 220 H CB 0.645 30.337 29.762 -0.117 0.000 1.410 220 H HN 0.752 nan 8.280 nan 0.000 0.597 221 A N 4.496 127.232 122.820 -0.141 0.000 2.527 221 A HA 0.198 4.518 4.320 -0.000 0.000 0.313 221 A C 0.002 177.407 177.584 -0.298 0.000 1.410 221 A CA -0.709 51.118 52.037 -0.350 0.000 1.060 221 A CB -0.486 18.037 19.000 -0.795 0.000 1.137 221 A HN 0.665 nan 8.150 nan 0.000 0.542 222 N N 0.919 119.448 118.700 -0.284 0.000 2.485 222 N HA 0.634 5.374 4.740 -0.000 0.000 0.280 222 N C -0.120 175.239 175.510 -0.252 0.000 1.205 222 N CA -0.329 52.410 53.050 -0.519 0.000 0.959 222 N CB 1.103 38.940 38.487 -1.084 0.000 1.206 222 N HN 0.591 nan 8.380 nan 0.000 0.545 223 F N -2.418 117.484 119.950 -0.081 0.000 2.915 223 F HA 0.439 4.966 4.527 -0.000 0.000 0.347 223 F C -0.302 175.521 175.800 0.039 0.000 1.104 223 F CA -0.824 57.152 58.000 -0.040 0.000 1.126 223 F CB -0.600 38.297 39.000 -0.171 0.000 1.145 223 F HN 0.192 nan 8.300 nan 0.000 0.541 224 Y N 2.651 123.094 120.300 0.238 0.000 2.314 224 Y HA 0.320 4.869 4.550 -0.000 0.000 0.334 224 Y C -1.027 174.932 175.900 0.099 0.000 1.266 224 Y CA -1.508 56.709 58.100 0.195 0.000 1.391 224 Y CB 0.174 38.671 38.460 0.061 0.000 1.306 224 Y HN -0.226 nan 8.280 nan 0.000 0.558 225 P HA -0.284 nan 4.420 nan 0.000 0.216 225 P C 1.110 178.437 177.300 0.045 0.000 1.157 225 P CA 2.777 65.936 63.100 0.099 0.000 0.880 225 P CB 0.107 31.854 31.700 0.079 0.000 0.791 226 K N -1.009 119.368 120.400 -0.037 0.000 2.103 226 K HA -0.214 4.106 4.320 -0.000 0.000 0.207 226 K C 1.727 178.266 176.600 -0.101 0.000 1.048 226 K CA 1.762 57.976 56.287 -0.122 0.000 0.930 226 K CB -1.168 31.188 32.500 -0.240 0.000 0.716 226 K HN 0.265 nan 8.250 nan 0.000 0.444 227 H N -0.075 119.019 119.070 0.039 0.000 2.363 227 H HA 0.067 4.623 4.556 -0.000 0.000 0.301 227 H C 2.120 177.470 175.328 0.037 0.000 1.074 227 H CA 1.423 57.484 56.048 0.023 0.000 1.354 227 H CB 0.075 29.838 29.762 0.001 0.000 1.397 227 H HN 0.081 nan 8.280 nan 0.000 0.516 228 M N 0.192 119.895 119.600 0.172 0.000 2.117 228 M HA -0.111 4.368 4.480 -0.000 0.000 0.262 228 M C 2.292 178.641 176.300 0.081 0.000 1.065 228 M CA 1.271 56.640 55.300 0.116 0.000 1.114 228 M CB -0.674 31.985 32.600 0.099 0.000 1.361 228 M HN 0.319 nan 8.290 nan 0.000 0.408 229 I N -0.263 120.344 120.570 0.062 0.000 2.264 229 I HA -0.294 3.876 4.170 -0.000 0.000 0.248 229 I C 2.506 178.651 176.117 0.047 0.000 1.111 229 I CA 1.313 62.638 61.300 0.043 0.000 1.382 229 I CB -0.357 37.658 38.000 0.024 0.000 1.060 229 I HN 0.423 nan 8.210 nan 0.000 0.418 230 E N 0.961 121.196 120.200 0.058 0.000 2.112 230 E HA -0.231 4.119 4.350 -0.000 0.000 0.190 230 E C 2.149 178.793 176.600 0.073 0.000 0.979 230 E CA 0.825 57.263 56.400 0.062 0.000 0.814 230 E CB 0.219 29.962 29.700 0.071 0.000 0.762 230 E HN 0.330 nan 8.360 nan 0.000 0.460 231 K N 0.426 120.878 120.400 0.087 0.000 1.991 231 K HA -0.057 4.263 4.320 -0.000 0.000 0.207 231 K C 1.264 177.909 176.600 0.074 0.000 1.045 231 K CA 1.289 57.630 56.287 0.090 0.000 0.937 231 K CB 0.158 32.719 32.500 0.102 0.000 0.720 231 K HN 0.074 nan 8.250 nan 0.000 0.438 232 V N -2.738 117.216 119.914 0.067 0.000 3.369 232 V HA 0.498 4.618 4.120 -0.000 0.000 0.301 232 V C 1.402 177.524 176.094 0.046 0.000 1.184 232 V CA -0.180 62.153 62.300 0.055 0.000 1.013 232 V CB 0.499 32.353 31.823 0.051 0.000 1.230 232 V HN 0.295 nan 8.190 nan 0.000 0.464 233 G N -0.095 108.728 108.800 0.038 0.000 2.552 233 G HA2 0.333 4.293 3.960 -0.000 0.000 0.216 233 G HA3 0.333 4.293 3.960 -0.000 0.000 0.216 233 G C 0.472 175.391 174.900 0.031 0.000 1.240 233 G CA 1.490 46.609 45.100 0.032 0.000 0.796 233 G HN 1.748 nan 8.290 nan 0.000 0.568 234 A N -2.310 120.528 122.820 0.029 0.000 2.557 234 A HA 0.677 4.997 4.320 -0.000 0.000 0.292 234 A C -0.435 177.166 177.584 0.028 0.000 1.139 234 A CA -0.651 51.402 52.037 0.027 0.000 0.665 234 A CB 0.647 19.659 19.000 0.021 0.000 1.285 234 A HN 0.102 nan 8.150 nan 0.000 0.433 235 M N 0.752 120.367 119.600 0.026 0.000 2.198 235 M HA 0.302 4.782 4.480 -0.000 0.000 0.315 235 M C 0.692 177.004 176.300 0.020 0.000 1.134 235 M CA 0.270 55.585 55.300 0.025 0.000 1.171 235 M CB -0.077 32.538 32.600 0.025 0.000 1.413 235 M HN 0.729 nan 8.290 nan 0.000 0.467 236 R N 0.628 121.138 120.500 0.017 0.000 2.615 236 R HA 0.356 4.696 4.340 -0.000 0.000 0.270 236 R C -2.079 174.229 176.300 0.012 0.000 1.081 236 R CA -1.364 54.744 56.100 0.014 0.000 1.154 236 R CB -0.568 29.738 30.300 0.011 0.000 1.063 236 R HN 0.389 nan 8.270 nan 0.000 0.519 237 P HA -0.012 nan 4.420 nan 0.000 0.269 237 P C -0.728 176.577 177.300 0.008 0.000 1.209 237 P CA -0.255 62.850 63.100 0.009 0.000 0.776 237 P CB 0.501 32.206 31.700 0.008 0.000 0.876 238 E N 1.484 121.689 120.200 0.008 0.000 2.452 238 E HA 0.271 4.621 4.350 -0.000 0.000 0.261 238 E C -0.457 176.147 176.600 0.006 0.000 0.987 238 E CA 0.048 56.453 56.400 0.007 0.000 0.926 238 E CB 0.097 29.802 29.700 0.008 0.000 0.934 238 E HN 0.468 nan 8.360 nan 0.000 0.452 239 A N 5.350 128.173 122.820 0.005 0.000 2.302 239 A HA 0.499 4.819 4.320 -0.000 0.000 0.285 239 A C -2.131 175.455 177.584 0.004 0.000 1.105 239 A CA -1.486 50.553 52.037 0.004 0.000 0.816 239 A CB -0.016 18.985 19.000 0.002 0.000 1.067 239 A HN 0.644 nan 8.150 nan 0.000 0.489 240 P HA 0.150 nan 4.420 nan 0.000 0.261 240 P C -2.143 175.160 177.300 0.005 0.000 1.183 240 P CA -0.324 62.779 63.100 0.005 0.000 0.761 240 P CB -0.132 31.571 31.700 0.004 0.000 0.785 241 P HA 0.129 nan 4.420 nan 0.000 0.269 241 P C -0.618 176.687 177.300 0.007 0.000 1.215 241 P CA 0.345 63.449 63.100 0.007 0.000 0.780 241 P CB 0.922 32.627 31.700 0.008 0.000 0.898 242 I N 2.548 123.122 120.570 0.008 0.000 2.420 242 I HA 0.207 4.377 4.170 -0.000 0.000 0.282 242 I C -0.004 176.121 176.117 0.012 0.000 1.019 242 I CA -0.637 60.668 61.300 0.009 0.000 1.130 242 I CB 1.025 39.029 38.000 0.008 0.000 1.262 242 I HN 0.198 nan 8.210 nan 0.000 0.454 243 N N 6.107 124.815 118.700 0.014 0.000 2.421 243 N HA 0.424 5.164 4.740 -0.000 0.000 0.285 243 N C -0.754 174.769 175.510 0.022 0.000 1.027 243 N CA -0.389 52.671 53.050 0.017 0.000 0.918 243 N CB 2.913 41.409 38.487 0.016 0.000 1.152 243 N HN 0.157 nan 8.380 nan 0.000 0.485 244 V N 1.746 121.676 119.914 0.027 0.000 2.409 244 V HA 0.486 4.605 4.120 -0.000 0.000 0.291 244 V C 0.067 176.184 176.094 0.038 0.000 1.020 244 V CA -0.525 61.797 62.300 0.036 0.000 0.848 244 V CB 1.356 33.206 31.823 0.045 0.000 0.990 244 V HN 0.845 nan 8.190 nan 0.000 0.430 245 T N 1.938 116.515 114.554 0.038 0.000 2.900 245 T HA 0.638 4.988 4.350 -0.000 0.000 0.295 245 T C -0.731 173.994 174.700 0.041 0.000 1.044 245 T CA -0.810 61.312 62.100 0.036 0.000 0.995 245 T CB 2.253 71.137 68.868 0.027 0.000 1.072 245 T HN 0.490 nan 8.240 nan 0.000 0.473 246 Q N 1.927 121.751 119.800 0.039 0.000 2.907 246 Q HA 0.257 4.597 4.340 -0.000 0.000 0.262 246 Q C -1.676 174.337 176.000 0.022 0.000 0.997 246 Q CA -2.079 53.746 55.803 0.038 0.000 0.797 246 Q CB 1.520 30.287 28.738 0.048 0.000 1.228 246 Q HN 0.595 nan 8.270 nan 0.000 0.466 247 P HA -0.218 nan 4.420 nan 0.000 0.217 247 P C 0.072 177.376 177.300 0.007 0.000 1.151 247 P CA 1.396 64.503 63.100 0.013 0.000 0.849 247 P CB 0.452 32.160 31.700 0.014 0.000 0.787 248 E N -0.340 119.864 120.200 0.006 0.000 2.451 248 E HA 0.377 4.727 4.350 -0.000 0.000 0.194 248 E C 0.892 177.485 176.600 -0.013 0.000 1.027 248 E CA -0.007 56.392 56.400 -0.001 0.000 0.914 248 E CB 0.066 29.767 29.700 0.002 0.000 1.054 248 E HN 0.273 nan 8.360 nan 0.000 0.461 249 G N 0.727 109.517 108.800 -0.016 0.000 2.698 249 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.225 249 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.225 249 G C -0.168 174.698 174.900 -0.058 0.000 1.345 249 G CA -0.508 44.565 45.100 -0.046 0.000 0.871 249 G HN 0.437 nan 8.290 nan 0.000 0.540 250 V N -2.610 117.215 119.914 -0.149 0.000 2.975 250 V HA 0.873 4.993 4.120 -0.000 0.000 0.318 250 V C 1.465 177.463 176.094 -0.159 0.000 1.077 250 V CA 0.872 63.059 62.300 -0.189 0.000 1.000 250 V CB 1.544 33.031 31.823 -0.561 0.000 1.066 250 V HN 2.361 nan 8.190 nan 0.000 0.452 251 S N 1.654 117.370 115.700 0.026 0.000 2.528 251 S HA 0.186 4.656 4.470 -0.000 0.000 0.219 251 S C 0.514 175.233 174.600 0.199 0.000 0.985 251 S CA 0.031 58.295 58.200 0.107 0.000 0.914 251 S CB -0.745 62.566 63.200 0.185 0.000 0.776 251 S HN 1.060 nan 8.310 nan 0.000 0.526 252 F N 1.236 121.341 119.950 0.259 0.000 2.378 252 F HA 0.758 5.285 4.527 -0.000 0.000 0.325 252 F C -0.157 175.683 175.800 0.067 0.000 1.097 252 F CA -1.271 56.868 58.000 0.231 0.000 1.079 252 F CB 0.789 39.898 39.000 0.181 0.000 1.240 252 F HN -0.079 nan 8.300 nan 0.000 0.519 253 K N 4.024 124.568 120.400 0.239 0.000 2.471 253 K HA 0.464 4.783 4.320 -0.000 0.000 0.252 253 K C -1.626 175.018 176.600 0.072 0.000 0.938 253 K CA -0.719 55.620 56.287 0.086 0.000 0.796 253 K CB 1.427 33.946 32.500 0.031 0.000 1.161 253 K HN 0.893 nan 8.250 nan 0.000 0.425 254 M N 2.639 122.263 119.600 0.040 0.000 2.364 254 M HA 0.265 4.745 4.480 -0.000 0.000 0.334 254 M C -0.641 175.656 176.300 -0.004 0.000 1.107 254 M CA -0.670 54.605 55.300 -0.043 0.000 0.988 254 M CB 2.133 34.642 32.600 -0.151 0.000 1.673 254 M HN 0.498 nan 8.290 nan 0.000 0.441 255 T N 2.590 117.135 114.554 -0.015 0.000 3.155 255 T HA 0.526 4.875 4.350 -0.000 0.000 0.384 255 T C 0.540 175.260 174.700 0.034 0.000 1.351 255 T CA 0.315 62.431 62.100 0.027 0.000 1.198 255 T CB 0.681 69.573 68.868 0.040 0.000 1.106 255 T HN 1.090 nan 8.240 nan 0.000 0.564 256 G N 3.755 112.579 108.800 0.041 0.000 2.523 256 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.271 256 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.271 256 G C 0.664 175.547 174.900 -0.028 0.000 1.146 256 G CA -0.125 45.001 45.100 0.043 0.000 0.961 256 G HN 0.521 nan 8.290 nan 0.000 0.549 257 N N 0.576 119.223 118.700 -0.088 0.000 2.336 257 N HA 0.190 4.930 4.740 -0.000 0.000 0.189 257 N C 0.488 175.770 175.510 -0.380 0.000 1.113 257 N CA 0.647 53.528 53.050 -0.282 0.000 0.858 257 N CB 0.734 38.929 38.487 -0.486 0.000 0.970 257 N HN 0.380 nan 8.380 nan 0.000 0.471 258 V N 2.273 122.066 119.914 -0.201 0.000 2.461 258 V HA 0.215 4.335 4.120 -0.000 0.000 0.275 258 V C 0.252 176.181 176.094 -0.276 0.000 1.047 258 V CA -0.492 61.694 62.300 -0.189 0.000 0.955 258 V CB 1.304 33.131 31.823 0.008 0.000 0.988 258 V HN 0.094 nan 8.190 nan 0.000 0.471 259 M N 5.253 124.547 119.600 -0.511 0.000 2.404 259 M HA 0.544 5.024 4.480 -0.000 0.000 0.338 259 M C -0.635 175.401 176.300 -0.441 0.000 1.150 259 M CA 0.149 55.081 55.300 -0.613 0.000 1.016 259 M CB 1.471 33.338 32.600 -1.222 0.000 1.672 259 M HN 0.651 nan 8.290 nan 0.000 0.448 260 E N 3.498 123.597 120.200 -0.170 0.000 2.241 260 E HA 0.486 4.836 4.350 -0.000 0.000 0.263 260 E C -2.274 174.431 176.600 0.176 0.000 0.882 260 E CA -0.303 56.091 56.400 -0.010 0.000 0.769 260 E CB 1.781 31.480 29.700 -0.001 0.000 1.185 260 E HN 0.761 nan 8.360 nan 0.000 0.415 261 W N 2.600 123.908 121.300 0.014 0.000 3.827 261 W HA 0.192 4.852 4.660 -0.000 0.000 0.307 261 W C -0.303 176.307 176.519 0.152 0.000 1.204 261 W CA -0.405 57.001 57.345 0.101 0.000 1.250 261 W CB 1.466 30.993 29.460 0.111 0.000 1.281 261 W HN 0.441 nan 8.180 nan 0.000 0.494 262 S N 5.031 120.311 115.700 -0.700 0.000 3.491 262 S HA -0.327 4.142 4.470 -0.000 0.000 0.371 262 S C 0.853 175.160 174.600 -0.488 0.000 0.980 262 S CA 2.007 59.742 58.200 -0.775 0.000 1.204 262 S CB -1.320 60.956 63.200 -1.539 0.000 0.915 262 S HN 0.998 nan 8.310 nan 0.000 0.482 263 N N -2.397 116.044 118.700 -0.433 0.000 2.967 263 N HA -0.173 4.566 4.740 -0.000 0.000 0.218 263 N C -0.182 175.001 175.510 -0.546 0.000 0.870 263 N CA 1.739 54.389 53.050 -0.666 0.000 1.030 263 N CB -1.468 36.212 38.487 -1.345 0.000 1.027 263 N HN 0.559 nan 8.380 nan 0.000 0.603 264 F N 1.543 121.450 119.950 -0.072 0.000 2.389 264 F HA 0.437 4.964 4.527 -0.000 0.000 0.337 264 F C 0.932 176.810 175.800 0.129 0.000 1.112 264 F CA 0.207 58.319 58.000 0.188 0.000 1.192 264 F CB 0.930 40.191 39.000 0.435 0.000 1.185 264 F HN -0.166 nan 8.300 nan 0.000 0.552 265 K N 4.234 124.884 120.400 0.415 0.000 2.535 265 K HA 0.585 4.904 4.320 -0.000 0.000 0.250 265 K C -1.814 174.986 176.600 0.333 0.000 0.948 265 K CA -0.480 55.925 56.287 0.195 0.000 0.796 265 K CB 1.466 34.037 32.500 0.119 0.000 1.216 265 K HN 0.519 nan 8.250 nan 0.000 0.432 266 F N -0.244 119.723 119.950 0.030 0.000 2.741 266 F HA 0.399 4.926 4.527 -0.000 0.000 0.311 266 F C -1.612 174.184 175.800 -0.006 0.000 1.149 266 F CA -1.156 56.859 58.000 0.025 0.000 0.930 266 F CB 0.996 39.980 39.000 -0.027 0.000 1.312 266 F HN 0.425 nan 8.300 nan 0.000 0.450 267 H N 2.725 121.852 119.070 0.095 0.000 2.476 267 H HA 0.530 5.086 4.556 -0.000 0.000 0.328 267 H C -1.131 174.190 175.328 -0.012 0.000 1.073 267 H CA -0.627 55.359 56.048 -0.103 0.000 1.229 267 H CB 1.461 31.056 29.762 -0.279 0.000 1.432 267 H HN 0.746 nan 8.280 nan 0.000 0.477 268 I N 5.640 125.941 120.570 -0.449 0.000 2.281 268 I HA 0.210 4.380 4.170 -0.000 0.000 0.293 268 I C 1.043 176.981 176.117 -0.298 0.000 1.085 268 I CA -0.288 60.877 61.300 -0.225 0.000 1.257 268 I CB 0.859 38.759 38.000 -0.165 0.000 1.430 268 I HN 0.538 nan 8.210 nan 0.000 0.489 269 G N 5.259 114.054 108.800 -0.008 0.000 2.552 269 G HA2 0.701 4.661 3.960 -0.000 0.000 0.318 269 G HA3 0.701 4.661 3.960 -0.000 0.000 0.318 269 G C -1.502 173.524 174.900 0.210 0.000 1.240 269 G CA -0.321 44.870 45.100 0.150 0.000 1.002 269 G HN 0.394 nan 8.290 nan 0.000 0.493 270 F N 0.519 120.500 119.950 0.052 0.000 2.672 270 F HA 0.475 5.002 4.527 -0.000 0.000 0.311 270 F C -1.201 174.676 175.800 0.129 0.000 1.113 270 F CA -0.918 57.121 58.000 0.065 0.000 0.996 270 F CB 2.111 41.145 39.000 0.057 0.000 1.286 270 F HN 0.811 nan 8.300 nan 0.000 0.441 271 N N 2.161 120.759 118.700 -0.169 0.000 2.610 271 N HA 0.229 4.969 4.740 -0.000 0.000 0.264 271 N C 0.114 175.556 175.510 -0.113 0.000 1.348 271 N CA -0.490 52.625 53.050 0.109 0.000 0.819 271 N CB 0.410 38.971 38.487 0.123 0.000 1.521 271 N HN 0.529 nan 8.380 nan 0.000 0.497 272 Y N -0.630 119.549 120.300 -0.201 0.000 2.241 272 Y HA -0.034 4.516 4.550 -0.000 0.000 0.286 272 Y C 2.095 177.524 175.900 -0.786 0.000 1.166 272 Y CA 1.568 59.134 58.100 -0.890 0.000 1.203 272 Y CB -0.422 37.121 38.460 -1.528 0.000 0.977 272 Y HN 0.659 nan 8.280 nan 0.000 0.529 273 R N 0.374 119.926 120.500 -1.579 0.000 2.051 273 R HA 0.040 4.380 4.340 -0.000 0.000 0.218 273 R C 2.005 177.853 176.300 -0.753 0.000 1.188 273 R CA 1.187 56.486 56.100 -1.336 0.000 0.992 273 R CB -0.033 29.254 30.300 -1.688 0.000 0.883 273 R HN 0.464 nan 8.270 nan 0.000 0.444 274 E N -0.304 119.562 120.200 -0.556 0.000 2.435 274 E HA 0.141 4.490 4.350 -0.000 0.000 0.195 274 E C 0.879 177.246 176.600 -0.388 0.000 1.029 274 E CA 0.337 56.533 56.400 -0.340 0.000 0.865 274 E CB 0.463 30.063 29.700 -0.166 0.000 0.833 274 E HN 0.568 nan 8.360 nan 0.000 0.510 275 G N 2.074 110.477 108.800 -0.663 0.000 2.523 275 G HA2 -0.343 3.616 3.960 -0.000 0.000 0.271 275 G HA3 -0.343 3.616 3.960 -0.000 0.000 0.271 275 G C 0.097 174.426 174.900 -0.953 0.000 1.146 275 G CA -0.147 44.335 45.100 -1.031 0.000 0.961 275 G HN 0.195 nan 8.290 nan 0.000 0.549 276 I N 1.154 121.544 120.570 -0.300 0.000 2.618 276 I HA 0.356 4.526 4.170 -0.000 0.000 0.284 276 I C 0.274 176.259 176.117 -0.221 0.000 1.146 276 I CA 0.028 61.296 61.300 -0.052 0.000 1.425 276 I CB 0.948 39.009 38.000 0.102 0.000 1.383 276 I HN 0.316 nan 8.210 nan 0.000 0.562 277 V N 7.862 127.656 119.914 -0.199 0.000 2.447 277 V HA 0.332 4.452 4.120 -0.000 0.000 0.292 277 V C -0.088 175.863 176.094 -0.238 0.000 1.021 277 V CA -0.548 61.600 62.300 -0.252 0.000 0.850 277 V CB 1.588 33.323 31.823 -0.148 0.000 1.005 277 V HN 0.447 nan 8.190 nan 0.000 0.426 278 L N 4.227 125.211 121.223 -0.398 0.000 2.265 278 L HA 0.637 4.977 4.340 -0.000 0.000 0.288 278 L C 0.287 177.056 176.870 -0.167 0.000 1.058 278 L CA 0.229 54.917 54.840 -0.254 0.000 0.809 278 L CB 1.400 43.199 42.059 -0.432 0.000 1.179 278 L HN 0.616 nan 8.230 nan 0.000 0.429 279 S N 0.694 116.374 115.700 -0.033 0.000 2.671 279 S HA 0.282 4.752 4.470 -0.000 0.000 0.299 279 S C -0.451 174.153 174.600 0.006 0.000 1.116 279 S CA -0.619 57.500 58.200 -0.135 0.000 0.912 279 S CB 1.718 64.739 63.200 -0.299 0.000 1.130 279 S HN 0.753 nan 8.310 nan 0.000 0.501 280 D N 0.977 121.333 120.400 -0.073 0.000 2.740 280 D HA -0.144 4.496 4.640 -0.000 0.000 0.231 280 D C -0.706 175.737 176.300 0.238 0.000 1.194 280 D CA 0.362 54.454 54.000 0.154 0.000 0.673 280 D CB -1.163 39.806 40.800 0.280 0.000 0.995 280 D HN 0.238 nan 8.370 nan 0.000 0.411 281 V N 1.218 121.261 119.914 0.216 0.000 2.432 281 V HA 0.560 4.680 4.120 -0.000 0.000 0.271 281 V C 0.870 177.101 176.094 0.228 0.000 1.046 281 V CA 0.262 62.726 62.300 0.274 0.000 0.945 281 V CB 1.424 33.387 31.823 0.233 0.000 0.992 281 V HN 0.492 nan 8.190 nan 0.000 0.471 282 S N 4.381 120.267 115.700 0.310 0.000 2.627 282 S HA 0.773 5.242 4.470 -0.000 0.000 0.283 282 S C -1.357 173.439 174.600 0.327 0.000 1.127 282 S CA -0.817 57.538 58.200 0.258 0.000 0.863 282 S CB 2.031 65.349 63.200 0.197 0.000 1.121 282 S HN 0.581 nan 8.310 nan 0.000 0.479 283 Y N 1.617 121.993 120.300 0.127 0.000 2.391 283 Y HA 0.519 5.069 4.550 -0.000 0.000 0.341 283 Y C -0.479 175.463 175.900 0.070 0.000 0.965 283 Y CA -0.789 57.331 58.100 0.032 0.000 1.067 283 Y CB 1.614 40.089 38.460 0.026 0.000 1.199 283 Y HN 0.851 nan 8.280 nan 0.000 0.450 284 N N 4.929 123.402 118.700 -0.377 0.000 2.508 284 N HA 0.004 4.743 4.740 -0.000 0.000 0.253 284 N C -1.103 174.329 175.510 -0.129 0.000 1.145 284 N CA 0.102 53.031 53.050 -0.203 0.000 0.973 284 N CB 0.087 38.413 38.487 -0.268 0.000 1.305 284 N HN 0.668 nan 8.380 nan 0.000 0.506 285 D N 2.490 123.028 120.400 0.230 0.000 2.508 285 D HA 0.036 4.676 4.640 -0.000 0.000 0.224 285 D C -0.358 176.043 176.300 0.169 0.000 1.171 285 D CA -0.014 54.195 54.000 0.348 0.000 1.006 285 D CB -0.763 40.314 40.800 0.462 0.000 1.073 285 D HN 0.543 nan 8.370 nan 0.000 0.513 286 H N 1.664 120.793 119.070 0.099 0.000 2.506 286 H HA -0.208 4.348 4.556 -0.000 0.000 0.323 286 H C 1.501 176.842 175.328 0.023 0.000 1.076 286 H CA 1.012 57.083 56.048 0.039 0.000 1.108 286 H CB -0.933 28.855 29.762 0.043 0.000 1.569 286 H HN 0.694 nan 8.280 nan 0.000 0.399 287 G N 0.020 108.856 108.800 0.061 0.000 2.308 287 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.221 287 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.221 287 G C 0.307 175.230 174.900 0.038 0.000 1.032 287 G CA 0.053 45.178 45.100 0.042 0.000 0.623 287 G HN 0.746 nan 8.290 nan 0.000 0.506 288 N N 0.843 119.582 118.700 0.064 0.000 2.439 288 N HA 0.408 5.148 4.740 -0.000 0.000 0.243 288 N C -0.024 175.529 175.510 0.072 0.000 1.088 288 N CA -0.313 52.771 53.050 0.055 0.000 0.940 288 N CB 0.669 39.189 38.487 0.056 0.000 1.180 288 N HN 0.082 nan 8.380 nan 0.000 0.505 289 V N 4.994 124.938 119.914 0.050 0.000 2.387 289 V HA 0.171 4.291 4.120 -0.000 0.000 0.260 289 V C 0.359 176.508 176.094 0.092 0.000 1.054 289 V CA -0.111 62.229 62.300 0.067 0.000 0.967 289 V CB 0.024 31.871 31.823 0.040 0.000 1.036 289 V HN 0.616 nan 8.190 nan 0.000 0.481 290 R N 5.948 126.541 120.500 0.156 0.000 2.338 290 R HA 0.461 4.801 4.340 -0.000 0.000 0.317 290 R C -2.752 173.673 176.300 0.208 0.000 0.968 290 R CA -1.857 54.344 56.100 0.169 0.000 0.849 290 R CB 1.450 31.863 30.300 0.190 0.000 1.128 290 R HN 0.392 nan 8.270 nan 0.000 0.448 291 P HA 0.131 nan 4.420 nan 0.000 0.272 291 P C -0.088 177.246 177.300 0.056 0.000 1.223 291 P CA 0.016 63.184 63.100 0.113 0.000 0.784 291 P CB 0.899 32.656 31.700 0.095 0.000 0.923 292 I N -0.269 120.230 120.570 -0.117 0.000 3.674 292 I HA 0.209 4.379 4.170 -0.000 0.000 0.248 292 I C -0.052 175.690 176.117 -0.626 0.000 1.134 292 I CA 0.443 61.401 61.300 -0.570 0.000 1.519 292 I CB 0.205 37.630 38.000 -0.958 0.000 1.598 292 I HN 0.127 nan 8.210 nan 0.000 0.442 293 F N -0.164 119.737 119.950 -0.081 0.000 2.563 293 F HA 0.366 4.893 4.527 -0.000 0.000 0.316 293 F C 1.025 176.828 175.800 0.005 0.000 1.076 293 F CA -0.903 57.052 58.000 -0.074 0.000 0.921 293 F CB 0.790 39.699 39.000 -0.151 0.000 1.209 293 F HN -0.022 nan 8.300 nan 0.000 0.462 294 H N 1.224 120.367 119.070 0.121 0.000 2.465 294 H HA 0.303 4.859 4.556 -0.000 0.000 0.289 294 H C 0.090 175.401 175.328 -0.029 0.000 1.022 294 H CA 0.757 56.819 56.048 0.024 0.000 1.340 294 H CB 0.592 30.325 29.762 -0.049 0.000 1.437 294 H HN 0.580 nan 8.280 nan 0.000 0.539 295 R N 0.520 120.945 120.500 -0.126 0.000 2.579 295 R HA 0.371 4.711 4.340 -0.000 0.000 0.260 295 R C -2.181 173.974 176.300 -0.242 0.000 1.103 295 R CA -0.489 55.468 56.100 -0.239 0.000 0.942 295 R CB 1.879 32.027 30.300 -0.253 0.000 1.251 295 R HN 0.232 nan 8.270 nan 0.000 0.450 296 I N 2.638 123.015 120.570 -0.321 0.000 2.692 296 I HA 0.648 4.818 4.170 -0.000 0.000 0.293 296 I C -1.560 174.291 176.117 -0.445 0.000 1.200 296 I CA -0.096 60.967 61.300 -0.396 0.000 1.036 296 I CB 2.143 39.838 38.000 -0.508 0.000 1.258 296 I HN 0.947 nan 8.210 nan 0.000 0.421 297 S N 6.072 121.629 115.700 -0.238 0.000 2.663 297 S HA 0.488 4.958 4.470 -0.000 0.000 0.264 297 S C -1.734 172.976 174.600 0.183 0.000 1.112 297 S CA -1.087 57.059 58.200 -0.091 0.000 0.823 297 S CB 0.882 63.986 63.200 -0.159 0.000 1.111 297 S HN 0.628 nan 8.310 nan 0.000 0.476 298 L N 2.589 123.968 121.223 0.260 0.000 2.276 298 L HA 0.502 4.841 4.340 -0.000 0.000 0.286 298 L C 1.228 178.145 176.870 0.078 0.000 1.061 298 L CA -0.155 54.806 54.840 0.201 0.000 0.807 298 L CB 1.690 43.891 42.059 0.237 0.000 1.177 298 L HN 1.020 nan 8.230 nan 0.000 0.429 299 S N 0.672 116.404 115.700 0.053 0.000 2.502 299 S HA 0.217 4.687 4.470 -0.000 0.000 0.215 299 S C 0.288 174.882 174.600 -0.011 0.000 1.009 299 S CA -0.208 58.051 58.200 0.098 0.000 0.908 299 S CB 0.510 63.828 63.200 0.197 0.000 0.801 299 S HN 0.655 nan 8.310 nan 0.000 0.505 300 E N -0.678 119.405 120.200 -0.195 0.000 2.403 300 E HA 0.663 5.013 4.350 -0.000 0.000 0.280 300 E C -1.770 174.634 176.600 -0.326 0.000 1.101 300 E CA -0.392 55.823 56.400 -0.309 0.000 0.856 300 E CB 1.145 30.548 29.700 -0.495 0.000 1.303 300 E HN 0.308 nan 8.360 nan 0.000 0.441 301 M N 1.499 121.016 119.600 -0.138 0.000 2.683 301 M HA 0.656 5.136 4.480 -0.000 0.000 0.274 301 M C -1.373 175.023 176.300 0.160 0.000 1.272 301 M CA -0.894 54.357 55.300 -0.082 0.000 0.833 301 M CB 2.556 34.979 32.600 -0.294 0.000 1.708 301 M HN 0.568 nan 8.290 nan 0.000 0.463 302 I N 0.891 121.509 120.570 0.081 0.000 2.685 302 I HA 0.390 4.560 4.170 -0.000 0.000 0.289 302 I C -1.721 174.362 176.117 -0.058 0.000 1.292 302 I CA -0.561 60.770 61.300 0.051 0.000 1.050 302 I CB 1.771 39.801 38.000 0.051 0.000 1.301 302 I HN 0.406 nan 8.210 nan 0.000 0.425 303 V N 8.980 128.876 119.914 -0.031 0.000 2.235 303 V HA 0.353 4.472 4.120 -0.000 0.000 0.266 303 V C -2.223 173.884 176.094 0.022 0.000 1.055 303 V CA -1.260 61.000 62.300 -0.066 0.000 0.844 303 V CB 0.659 32.448 31.823 -0.057 0.000 1.097 303 V HN 0.513 nan 8.190 nan 0.000 0.453 304 P HA 0.352 nan 4.420 nan 0.000 0.282 304 P C -0.143 177.183 177.300 0.044 0.000 1.274 304 P CA 0.185 63.310 63.100 0.041 0.000 0.770 304 P CB 1.674 33.343 31.700 -0.051 0.000 0.867 305 A N 3.409 126.278 122.820 0.081 0.000 2.332 305 A HA 0.531 4.851 4.320 -0.000 0.000 0.258 305 A C 1.413 178.981 177.584 -0.027 0.000 1.087 305 A CA -0.027 52.054 52.037 0.073 0.000 0.802 305 A CB -0.143 18.903 19.000 0.077 0.000 1.042 305 A HN 0.587 nan 8.150 nan 0.000 0.489 306 G N -0.152 108.626 108.800 -0.036 0.000 3.393 306 G HA2 0.326 4.286 3.960 -0.000 0.000 0.255 306 G HA3 0.326 4.286 3.960 -0.000 0.000 0.255 306 G C 0.482 175.222 174.900 -0.267 0.000 1.097 306 G CA 0.712 45.755 45.100 -0.095 0.000 0.780 306 G HN 0.807 nan 8.290 nan 0.000 0.540 307 S N 1.415 116.872 115.700 -0.406 0.000 2.475 307 S HA 0.442 4.912 4.470 -0.000 0.000 0.281 307 S C -0.933 173.333 174.600 -0.557 0.000 1.198 307 S CA -1.365 56.461 58.200 -0.624 0.000 1.063 307 S CB 1.807 64.471 63.200 -0.894 0.000 0.972 307 S HN 0.089 nan 8.310 nan 0.000 0.486 308 P HA 0.100 nan 4.420 nan 0.000 0.249 308 P C -0.318 176.842 177.300 -0.233 0.000 1.229 308 P CA 0.139 62.961 63.100 -0.463 0.000 0.788 308 P CB 0.130 31.494 31.700 -0.561 0.000 1.072 309 E N 0.125 120.230 120.200 -0.158 0.000 2.354 309 E HA 0.157 4.507 4.350 -0.000 0.000 0.269 309 E C -0.433 176.122 176.600 -0.074 0.000 1.036 309 E CA -0.781 55.617 56.400 -0.003 0.000 0.876 309 E CB 0.503 30.274 29.700 0.120 0.000 1.009 309 E HN 0.046 nan 8.360 nan 0.000 0.416 310 F N 4.639 124.474 119.950 -0.191 0.000 2.529 310 F HA 0.083 4.610 4.527 -0.000 0.000 0.365 310 F C -1.367 174.141 175.800 -0.487 0.000 1.102 310 F CA -1.503 56.342 58.000 -0.259 0.000 1.271 310 F CB 0.868 39.782 39.000 -0.144 0.000 1.120 310 F HN 0.312 nan 8.300 nan 0.000 0.579 311 P HA 0.130 nan 4.420 nan 0.000 0.257 311 P C -0.133 176.704 177.300 -0.770 0.000 1.737 311 P CA 0.254 62.562 63.100 -1.319 0.000 1.130 311 P CB -0.402 30.674 31.700 -1.040 0.000 1.572 312 H N 0.099 118.926 119.070 -0.405 0.000 2.561 312 H HA -0.095 4.461 4.556 -0.000 0.000 0.278 312 H C 1.575 176.769 175.328 -0.223 0.000 1.014 312 H CA 0.732 56.597 56.048 -0.304 0.000 1.211 312 H CB -0.178 29.400 29.762 -0.308 0.000 1.365 312 H HN 0.253 nan 8.280 nan 0.000 0.594 313 Q N 0.687 120.386 119.800 -0.168 0.000 2.224 313 Q HA -0.053 4.287 4.340 -0.000 0.000 0.203 313 Q C 1.496 177.545 176.000 0.082 0.000 0.970 313 Q CA 0.870 56.627 55.803 -0.077 0.000 0.865 313 Q CB -0.020 28.654 28.738 -0.107 0.000 0.922 313 Q HN 0.390 nan 8.270 nan 0.000 0.445 314 R N 0.928 121.410 120.500 -0.030 0.000 2.346 314 R HA 0.071 4.411 4.340 -0.000 0.000 0.199 314 R C -0.127 176.187 176.300 0.023 0.000 1.015 314 R CA 0.331 56.445 56.100 0.023 0.000 1.058 314 R CB 0.064 30.305 30.300 -0.100 0.000 0.921 314 R HN 0.140 nan 8.270 nan 0.000 0.475 315 K N 1.818 122.279 120.400 0.102 0.000 2.354 315 K HA 0.108 4.428 4.320 -0.000 0.000 0.257 315 K C -0.452 176.321 176.600 0.288 0.000 1.062 315 K CA -0.193 56.196 56.287 0.170 0.000 0.971 315 K CB 0.661 33.190 32.500 0.049 0.000 1.305 315 K HN 0.291 nan 8.250 nan 0.000 0.449 316 H N 0.328 119.533 119.070 0.225 0.000 3.383 316 H HA 0.166 4.722 4.556 -0.000 0.000 0.204 316 H C -0.849 174.541 175.328 0.104 0.000 1.262 316 H CA -0.698 55.414 56.048 0.107 0.000 1.350 316 H CB -0.706 29.064 29.762 0.014 0.000 2.400 316 H HN 0.401 nan 8.280 nan 0.000 0.547 317 A N 1.972 124.831 122.820 0.065 0.000 2.546 317 A HA 0.304 4.624 4.320 -0.000 0.000 0.243 317 A C 0.263 177.826 177.584 -0.034 0.000 1.063 317 A CA -0.187 51.824 52.037 -0.044 0.000 0.757 317 A CB 0.109 19.034 19.000 -0.125 0.000 0.991 317 A HN 0.480 nan 8.150 nan 0.000 0.503 318 L N 3.658 124.837 121.223 -0.074 0.000 2.475 318 L HA 0.193 4.533 4.340 -0.000 0.000 0.253 318 L C 0.755 177.539 176.870 -0.144 0.000 1.137 318 L CA -0.066 54.752 54.840 -0.037 0.000 1.058 318 L CB 0.476 42.552 42.059 0.029 0.000 1.382 318 L HN 0.760 nan 8.230 nan 0.000 0.416 319 D N 1.292 121.634 120.400 -0.096 0.000 2.133 319 D HA -0.254 4.386 4.640 -0.000 0.000 0.192 319 D C 2.041 178.243 176.300 -0.162 0.000 1.001 319 D CA 1.744 55.725 54.000 -0.031 0.000 0.844 319 D CB 0.292 41.135 40.800 0.071 0.000 0.944 319 D HN 0.490 nan 8.370 nan 0.000 0.447 320 I N 0.913 121.346 120.570 -0.228 0.000 2.179 320 I HA -0.174 3.996 4.170 -0.000 0.000 0.242 320 I C 2.564 178.459 176.117 -0.369 0.000 1.088 320 I CA 1.485 62.586 61.300 -0.332 0.000 1.357 320 I CB -0.315 37.513 38.000 -0.288 0.000 1.051 320 I HN 0.020 nan 8.210 nan 0.000 0.409 321 G N -0.442 108.177 108.800 -0.301 0.000 2.551 321 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.216 321 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.216 321 G C 1.423 176.168 174.900 -0.259 0.000 1.137 321 G CA 0.122 45.037 45.100 -0.308 0.000 0.798 321 G HN 0.391 nan 8.290 nan 0.000 0.536 322 E N -1.316 118.677 120.200 -0.343 0.000 2.431 322 E HA 0.138 4.488 4.350 -0.000 0.000 0.200 322 E C 0.860 177.084 176.600 -0.627 0.000 0.995 322 E CA 0.262 56.358 56.400 -0.508 0.000 0.915 322 E CB 0.355 29.626 29.700 -0.715 0.000 0.930 322 E HN 0.554 nan 8.360 nan 0.000 0.496 323 Y N -0.486 119.765 120.300 -0.082 0.000 2.640 323 Y HA 0.338 4.887 4.550 -0.000 0.000 0.274 323 Y C 0.778 176.650 175.900 -0.047 0.000 1.164 323 Y CA 0.248 58.324 58.100 -0.040 0.000 1.189 323 Y CB 1.038 39.453 38.460 -0.075 0.000 1.333 323 Y HN -0.047 nan 8.280 nan 0.000 0.494 324 G N 0.776 109.504 108.800 -0.120 0.000 3.421 324 G HA2 0.154 4.114 3.960 -0.000 0.000 0.686 324 G HA3 0.154 4.114 3.960 -0.000 0.000 0.686 324 G C 0.566 175.189 174.900 -0.461 0.000 1.056 324 G CA -0.277 44.600 45.100 -0.370 0.000 0.891 324 G HN 0.636 nan 8.290 nan 0.000 0.514 325 A N 1.219 123.631 122.820 -0.680 0.000 2.172 325 A HA 0.407 4.727 4.320 -0.000 0.000 0.216 325 A C 2.429 179.766 177.584 -0.412 0.000 1.154 325 A CA 2.288 53.770 52.037 -0.925 0.000 0.701 325 A CB -0.222 18.272 19.000 -0.844 0.000 0.789 325 A HN 2.090 nan 8.150 nan 0.000 0.465 326 G N -1.452 107.127 108.800 -0.369 0.000 2.471 326 G HA2 -0.009 3.950 3.960 -0.000 0.000 0.211 326 G HA3 -0.009 3.950 3.960 -0.000 0.000 0.211 326 G C 1.326 176.335 174.900 0.182 0.000 1.194 326 G CA 0.661 45.745 45.100 -0.027 0.000 0.816 326 G HN 0.383 nan 8.290 nan 0.000 0.545 327 Y N 0.497 120.633 120.300 -0.275 0.000 2.241 327 Y HA 0.009 4.559 4.550 -0.000 0.000 0.286 327 Y C 2.683 178.608 175.900 0.043 0.000 1.166 327 Y CA 0.566 58.532 58.100 -0.223 0.000 1.203 327 Y CB -0.122 38.216 38.460 -0.204 0.000 0.977 327 Y HN 0.101 nan 8.280 nan 0.000 0.529 328 M N -0.934 118.778 119.600 0.186 0.000 2.431 328 M HA 0.073 4.553 4.480 -0.000 0.000 0.237 328 M C 0.650 177.127 176.300 0.296 0.000 1.130 328 M CA 0.181 55.599 55.300 0.196 0.000 1.002 328 M CB -1.013 31.674 32.600 0.146 0.000 1.524 328 M HN -0.092 nan 8.290 nan 0.000 0.482 329 T N 2.576 117.332 114.554 0.337 0.000 2.930 329 T HA 0.107 4.457 4.350 -0.000 0.000 0.306 329 T C 0.378 175.244 174.700 0.277 0.000 1.045 329 T CA 0.019 62.347 62.100 0.381 0.000 1.134 329 T CB 0.394 69.549 68.868 0.480 0.000 0.961 329 T HN 0.244 nan 8.240 nan 0.000 0.545 330 N N 5.050 123.886 118.700 0.227 0.000 2.518 330 N HA 0.338 5.078 4.740 -0.000 0.000 0.283 330 N C -2.659 172.912 175.510 0.102 0.000 1.119 330 N CA -1.801 51.336 53.050 0.144 0.000 0.983 330 N CB 0.896 39.449 38.487 0.109 0.000 1.139 330 N HN 0.363 nan 8.380 nan 0.000 0.465 331 P HA 0.144 nan 4.420 nan 0.000 0.276 331 P C 0.402 177.700 177.300 -0.004 0.000 1.253 331 P CA -0.310 62.790 63.100 0.000 0.000 0.766 331 P CB 0.645 32.334 31.700 -0.019 0.000 0.845 332 L N 2.516 123.737 121.223 -0.003 0.000 2.492 332 L HA -0.024 4.316 4.340 -0.000 0.000 0.223 332 L C 2.218 179.086 176.870 -0.004 0.000 1.132 332 L CA 1.271 56.140 54.840 0.048 0.000 0.850 332 L CB -1.670 40.502 42.059 0.187 0.000 0.966 332 L HN 0.324 nan 8.230 nan 0.000 0.454 333 S N -0.187 115.392 115.700 -0.202 0.000 2.363 333 S HA -0.182 4.288 4.470 -0.000 0.000 0.218 333 S C 2.057 176.616 174.600 -0.069 0.000 1.035 333 S CA 1.408 59.465 58.200 -0.238 0.000 1.043 333 S CB -0.214 62.763 63.200 -0.371 0.000 0.986 333 S HN 0.338 nan 8.310 nan 0.000 0.423 334 L N 0.814 122.001 121.223 -0.060 0.000 1.978 334 L HA -0.159 4.181 4.340 -0.000 0.000 0.218 334 L C 2.818 179.691 176.870 0.006 0.000 1.075 334 L CA 1.683 56.511 54.840 -0.020 0.000 0.767 334 L CB -1.516 40.536 42.059 -0.012 0.000 0.890 334 L HN 0.567 nan 8.230 nan 0.000 0.434 335 G N -1.524 107.284 108.800 0.015 0.000 2.537 335 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.220 335 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.220 335 G C 0.953 175.867 174.900 0.024 0.000 1.111 335 G CA 0.723 45.837 45.100 0.023 0.000 0.748 335 G HN 0.673 nan 8.290 nan 0.000 0.564 336 C N -0.354 118.965 119.300 0.032 0.000 4.497 336 C HA -0.162 4.298 4.460 -0.000 0.000 0.292 336 C C 1.450 176.460 174.990 0.034 0.000 1.366 336 C CA 0.088 59.126 59.018 0.033 0.000 1.987 336 C CB -2.485 25.268 27.740 0.022 0.000 1.241 336 C HN 0.631 nan 8.230 nan 0.000 0.788 337 D N 0.022 120.451 120.400 0.050 0.000 2.144 337 D HA -0.009 4.631 4.640 -0.000 0.000 0.199 337 D C 0.837 177.172 176.300 0.059 0.000 0.984 337 D CA 1.560 55.595 54.000 0.058 0.000 0.834 337 D CB 0.030 40.872 40.800 0.070 0.000 0.955 337 D HN 0.727 nan 8.370 nan 0.000 0.465 338 C N 1.231 120.551 119.300 0.033 0.000 2.298 338 C HA 0.512 4.972 4.460 -0.000 0.000 0.323 338 C C 0.108 175.018 174.990 -0.134 0.000 1.284 338 C CA -1.629 57.334 59.018 -0.092 0.000 1.577 338 C CB 0.667 28.306 27.740 -0.169 0.000 2.249 338 C HN 0.066 nan 8.230 nan 0.000 0.497 339 K N 2.067 122.369 120.400 -0.163 0.000 2.156 339 K HA 0.644 4.964 4.320 -0.000 0.000 0.271 339 K C 0.602 177.137 176.600 -0.110 0.000 0.995 339 K CA 0.789 57.023 56.287 -0.088 0.000 0.890 339 K CB 1.068 33.557 32.500 -0.018 0.000 1.073 339 K HN 1.190 nan 8.250 nan 0.000 0.454 340 G N 0.781 109.559 108.800 -0.037 0.000 2.428 340 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.202 340 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.202 340 G C -1.156 173.753 174.900 0.015 0.000 1.247 340 G CA -0.587 44.522 45.100 0.014 0.000 1.020 340 G HN 0.435 nan 8.290 nan 0.000 0.529 341 V N 2.262 122.217 119.914 0.067 0.000 2.326 341 V HA 0.346 4.466 4.120 -0.000 0.000 0.249 341 V C 0.664 176.819 176.094 0.102 0.000 1.114 341 V CA -0.375 61.970 62.300 0.075 0.000 1.028 341 V CB 0.007 31.879 31.823 0.083 0.000 1.170 341 V HN 0.541 nan 8.190 nan 0.000 0.494 342 I N 3.777 124.349 120.570 0.004 0.000 2.577 342 I HA 0.434 4.604 4.170 -0.000 0.000 0.300 342 I C 0.147 176.206 176.117 -0.097 0.000 0.990 342 I CA -0.261 60.961 61.300 -0.131 0.000 1.283 342 I CB 1.018 38.740 38.000 -0.464 0.000 1.411 342 I HN 0.515 nan 8.210 nan 0.000 0.515 343 H N 5.439 124.379 119.070 -0.217 0.000 2.609 343 H HA 0.445 5.001 4.556 -0.000 0.000 0.344 343 H C -1.682 173.480 175.328 -0.277 0.000 1.040 343 H CA -0.361 55.636 56.048 -0.085 0.000 1.216 343 H CB 1.179 31.035 29.762 0.157 0.000 1.529 343 H HN 0.382 nan 8.280 nan 0.000 0.519 344 Y N 3.305 123.653 120.300 0.081 0.000 2.567 344 Y HA 0.485 5.034 4.550 -0.000 0.000 0.333 344 Y C -0.013 175.933 175.900 0.076 0.000 1.106 344 Y CA -0.804 57.340 58.100 0.073 0.000 1.157 344 Y CB 1.812 40.258 38.460 -0.024 0.000 1.277 344 Y HN 0.385 nan 8.280 nan 0.000 0.490 345 L N 1.543 122.877 121.223 0.185 0.000 2.388 345 L HA 0.488 4.828 4.340 -0.000 0.000 0.264 345 L C -1.249 175.559 176.870 -0.103 0.000 0.998 345 L CA -1.029 53.832 54.840 0.035 0.000 0.817 345 L CB 2.153 44.199 42.059 -0.023 0.000 1.338 345 L HN 0.565 nan 8.230 nan 0.000 0.414 346 D N 0.859 121.152 120.400 -0.178 0.000 2.326 346 D HA 0.715 5.355 4.640 -0.000 0.000 0.248 346 D C -0.502 175.434 176.300 -0.607 0.000 1.001 346 D CA -0.204 53.586 54.000 -0.350 0.000 0.961 346 D CB 2.261 42.881 40.800 -0.300 0.000 1.183 346 D HN 0.577 nan 8.370 nan 0.000 0.502 347 A N 0.795 123.133 122.820 -0.804 0.000 2.374 347 A HA 0.651 4.971 4.320 -0.000 0.000 0.317 347 A C -1.068 175.788 177.584 -1.214 0.000 1.094 347 A CA -0.631 50.854 52.037 -0.920 0.000 0.765 347 A CB 1.177 19.664 19.000 -0.855 0.000 1.268 347 A HN 0.572 nan 8.150 nan 0.000 0.438 348 H N 0.790 119.508 119.070 -0.587 0.000 2.667 348 H HA 0.654 5.210 4.556 -0.000 0.000 0.353 348 H C -1.494 173.606 175.328 -0.381 0.000 1.072 348 H CA -0.184 55.596 56.048 -0.446 0.000 1.214 348 H CB 1.411 31.081 29.762 -0.155 0.000 1.600 348 H HN 0.539 nan 8.280 nan 0.000 0.527 349 F N -0.195 119.917 119.950 0.270 0.000 2.764 349 F HA 0.466 4.993 4.527 -0.000 0.000 0.347 349 F C 0.700 176.608 175.800 0.181 0.000 1.151 349 F CA -1.035 57.128 58.000 0.272 0.000 1.021 349 F CB 1.002 40.264 39.000 0.436 0.000 1.438 349 F HN 0.335 nan 8.300 nan 0.000 0.516 350 S N -0.423 115.509 115.700 0.387 0.000 2.578 350 S HA 0.628 5.098 4.470 -0.000 0.000 0.301 350 S C -1.277 173.422 174.600 0.166 0.000 1.091 350 S CA -0.662 57.643 58.200 0.175 0.000 1.032 350 S CB 0.877 64.117 63.200 0.066 0.000 1.064 350 S HN 0.601 nan 8.310 nan 0.000 0.508 351 D N 1.429 121.884 120.400 0.092 0.000 2.487 351 D HA 0.340 4.980 4.640 -0.000 0.000 0.262 351 D C 1.128 177.492 176.300 0.106 0.000 1.130 351 D CA -0.837 53.209 54.000 0.077 0.000 1.038 351 D CB 0.289 41.124 40.800 0.059 0.000 1.142 351 D HN 0.522 nan 8.370 nan 0.000 0.575 352 R N -0.463 120.092 120.500 0.093 0.000 2.133 352 R HA -0.206 4.134 4.340 -0.000 0.000 0.247 352 R C 1.751 178.178 176.300 0.212 0.000 1.151 352 R CA 1.758 57.937 56.100 0.132 0.000 0.971 352 R CB -0.594 29.746 30.300 0.067 0.000 0.866 352 R HN 0.577 nan 8.270 nan 0.000 0.447 353 A N -0.820 122.085 122.820 0.141 0.000 2.167 353 A HA 0.137 4.457 4.320 -0.000 0.000 0.214 353 A C 1.439 179.087 177.584 0.107 0.000 1.151 353 A CA 1.069 53.189 52.037 0.139 0.000 0.735 353 A CB -0.117 18.924 19.000 0.068 0.000 0.802 353 A HN 0.610 nan 8.150 nan 0.000 0.467 354 G N -0.978 107.806 108.800 -0.028 0.000 2.144 354 G HA2 -0.151 3.808 3.960 -0.000 0.000 0.218 354 G HA3 -0.151 3.808 3.960 -0.000 0.000 0.218 354 G C -0.496 174.246 174.900 -0.263 0.000 0.988 354 G CA 0.109 44.922 45.100 -0.477 0.000 0.659 354 G HN 0.464 nan 8.290 nan 0.000 0.522 355 D N 1.233 121.573 120.400 -0.099 0.000 2.177 355 D HA 0.460 5.100 4.640 -0.000 0.000 0.247 355 D C -2.474 173.819 176.300 -0.013 0.000 1.063 355 D CA -1.290 52.677 54.000 -0.054 0.000 0.867 355 D CB 1.694 42.483 40.800 -0.018 0.000 1.168 355 D HN 0.021 nan 8.370 nan 0.000 0.445 356 P HA 0.098 nan 4.420 nan 0.000 0.265 356 P C -0.414 176.926 177.300 0.065 0.000 1.193 356 P CA 0.129 63.249 63.100 0.034 0.000 0.765 356 P CB 0.422 32.117 31.700 -0.008 0.000 0.823 357 I N -0.864 119.776 120.570 0.117 0.000 2.646 357 I HA 0.679 4.849 4.170 -0.000 0.000 0.299 357 I C -0.657 175.512 176.117 0.086 0.000 1.036 357 I CA -0.673 60.694 61.300 0.112 0.000 1.074 357 I CB 2.545 40.637 38.000 0.153 0.000 1.258 357 I HN 0.063 nan 8.210 nan 0.000 0.430 358 T N 3.985 118.569 114.554 0.050 0.000 2.876 358 T HA 0.503 4.853 4.350 -0.000 0.000 0.289 358 T C -0.749 173.893 174.700 -0.097 0.000 1.014 358 T CA -0.601 61.471 62.100 -0.046 0.000 0.986 358 T CB 2.210 71.116 68.868 0.065 0.000 1.021 358 T HN 0.654 nan 8.240 nan 0.000 0.458 359 V N 3.002 122.783 119.914 -0.222 0.000 2.407 359 V HA 0.563 4.682 4.120 -0.000 0.000 0.291 359 V C -0.385 175.595 176.094 -0.189 0.000 1.018 359 V CA -0.858 61.371 62.300 -0.118 0.000 0.842 359 V CB 1.075 32.897 31.823 -0.001 0.000 0.996 359 V HN 0.692 nan 8.190 nan 0.000 0.426 360 K N 4.568 124.888 120.400 -0.132 0.000 2.350 360 K HA 0.235 4.555 4.320 -0.000 0.000 0.279 360 K C 0.463 176.962 176.600 -0.167 0.000 1.027 360 K CA 0.564 56.761 56.287 -0.150 0.000 0.969 360 K CB 0.211 32.637 32.500 -0.123 0.000 0.954 360 K HN 1.004 nan 8.250 nan 0.000 0.474 361 N N 0.890 119.483 118.700 -0.178 0.000 2.696 361 N HA -0.261 4.479 4.740 -0.000 0.000 0.256 361 N C 0.397 175.882 175.510 -0.042 0.000 1.031 361 N CA 0.343 53.309 53.050 -0.141 0.000 0.730 361 N CB -0.725 37.457 38.487 -0.509 0.000 0.894 361 N HN 0.740 nan 8.380 nan 0.000 0.544 362 A N -0.645 122.104 122.820 -0.118 0.000 1.970 362 A HA 0.169 4.489 4.320 -0.000 0.000 0.216 362 A C 0.890 178.458 177.584 -0.027 0.000 1.170 362 A CA 1.056 53.014 52.037 -0.132 0.000 0.645 362 A CB 0.645 19.381 19.000 -0.439 0.000 0.816 362 A HN 0.204 nan 8.150 nan 0.000 0.447 363 V N -0.264 119.635 119.914 -0.025 0.000 2.555 363 V HA 0.432 4.552 4.120 -0.000 0.000 0.302 363 V C -0.224 175.955 176.094 0.142 0.000 1.038 363 V CA -0.736 61.611 62.300 0.078 0.000 0.887 363 V CB 1.094 32.937 31.823 0.033 0.000 0.991 363 V HN 0.566 nan 8.190 nan 0.000 0.434 364 C N 5.600 124.964 119.300 0.107 0.000 2.455 364 C HA 0.876 5.336 4.460 -0.000 0.000 0.320 364 C C -0.687 174.296 174.990 -0.012 0.000 1.226 364 C CA -0.667 58.329 59.018 -0.037 0.000 1.569 364 C CB -0.050 27.664 27.740 -0.043 0.000 2.200 364 C HN 0.785 nan 8.230 nan 0.000 0.491 365 I N 6.253 126.772 120.570 -0.084 0.000 2.509 365 I HA 0.672 4.842 4.170 -0.000 0.000 0.293 365 I C -0.243 175.852 176.117 -0.035 0.000 1.020 365 I CA -0.064 61.166 61.300 -0.117 0.000 1.088 365 I CB 1.829 39.649 38.000 -0.301 0.000 1.267 365 I HN 0.991 nan 8.210 nan 0.000 0.430 366 H N 4.029 122.910 119.070 -0.315 0.000 2.935 366 H HA 0.411 4.967 4.556 -0.000 0.000 0.297 366 H C -2.074 173.152 175.328 -0.169 0.000 1.423 366 H CA -1.096 54.873 56.048 -0.131 0.000 1.161 366 H CB 1.218 30.976 29.762 -0.006 0.000 1.841 366 H HN 0.645 nan 8.280 nan 0.000 0.506 367 E N 1.048 121.227 120.200 -0.036 0.000 2.244 367 E HA 0.594 4.944 4.350 -0.000 0.000 0.266 367 E C -1.008 175.590 176.600 -0.003 0.000 0.914 367 E CA -0.873 55.444 56.400 -0.138 0.000 0.794 367 E CB 3.031 32.794 29.700 0.105 0.000 1.210 367 E HN 0.753 nan 8.360 nan 0.000 0.414 368 E N 1.266 121.446 120.200 -0.033 0.000 2.445 368 E HA 0.245 4.595 4.350 -0.000 0.000 0.279 368 E C -1.223 175.411 176.600 0.057 0.000 1.018 368 E CA -1.023 55.405 56.400 0.048 0.000 0.816 368 E CB 1.232 30.964 29.700 0.053 0.000 1.356 368 E HN 0.495 nan 8.360 nan 0.000 0.462 369 D N 0.223 120.660 120.400 0.062 0.000 2.414 369 D HA 0.014 4.654 4.640 -0.000 0.000 0.242 369 D C -0.753 175.566 176.300 0.032 0.000 1.129 369 D CA 0.386 54.418 54.000 0.053 0.000 0.885 369 D CB 1.031 41.856 40.800 0.042 0.000 1.198 369 D HN 0.499 nan 8.370 nan 0.000 0.437 370 D N 1.927 122.347 120.400 0.034 0.000 2.819 370 D HA 0.316 4.956 4.640 -0.000 0.000 0.326 370 D C 0.532 176.838 176.300 0.009 0.000 1.408 370 D CA 0.373 54.383 54.000 0.017 0.000 0.811 370 D CB -0.091 40.728 40.800 0.032 0.000 1.148 370 D HN 0.712 nan 8.370 nan 0.000 0.457 371 G N 0.279 109.080 108.800 0.003 0.000 2.553 371 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.242 371 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.242 371 G C -0.382 174.506 174.900 -0.020 0.000 1.277 371 G CA -0.233 44.862 45.100 -0.007 0.000 0.910 371 G HN 0.301 nan 8.290 nan 0.000 0.576 372 L N 0.506 121.714 121.223 -0.025 0.000 2.349 372 L HA 0.410 4.750 4.340 -0.000 0.000 0.275 372 L C 1.698 178.527 176.870 -0.069 0.000 1.115 372 L CA -0.694 54.115 54.840 -0.052 0.000 0.820 372 L CB 1.206 43.249 42.059 -0.026 0.000 1.135 372 L HN 0.578 nan 8.230 nan 0.000 0.445 373 L N 4.058 125.165 121.223 -0.193 0.000 2.168 373 L HA 0.253 4.593 4.340 -0.000 0.000 0.203 373 L C -0.175 176.629 176.870 -0.110 0.000 1.078 373 L CA 1.297 55.998 54.840 -0.233 0.000 0.780 373 L CB 0.197 41.948 42.059 -0.514 0.000 0.939 373 L HN 0.584 nan 8.230 nan 0.000 0.451 374 F N -2.647 117.324 119.950 0.036 0.000 2.769 374 F HA 0.547 5.074 4.527 -0.000 0.000 0.313 374 F C -0.832 174.997 175.800 0.048 0.000 1.146 374 F CA -1.763 56.259 58.000 0.037 0.000 0.934 374 F CB 0.406 39.425 39.000 0.030 0.000 1.283 374 F HN -0.160 nan 8.300 nan 0.000 0.443 375 K N 0.827 121.437 120.400 0.349 0.000 2.568 375 K HA 0.653 4.973 4.320 -0.000 0.000 0.273 375 K C -2.525 174.229 176.600 0.257 0.000 0.951 375 K CA -0.889 55.549 56.287 0.253 0.000 0.854 375 K CB 2.481 35.053 32.500 0.119 0.000 1.424 375 K HN 1.121 nan 8.250 nan 0.000 0.427 376 H N -0.011 119.127 119.070 0.112 0.000 3.129 376 H HA 0.439 4.995 4.556 -0.000 0.000 0.342 376 H C -1.989 173.395 175.328 0.094 0.000 1.092 376 H CA -0.245 55.851 56.048 0.081 0.000 1.310 376 H CB 1.857 31.662 29.762 0.071 0.000 1.932 376 H HN 0.531 nan 8.280 nan 0.000 0.507 377 S N 3.106 118.391 115.700 -0.693 0.000 2.568 377 S HA 0.261 4.731 4.470 -0.000 0.000 0.293 377 S C -1.278 173.134 174.600 -0.314 0.000 1.089 377 S CA -0.897 57.115 58.200 -0.313 0.000 0.945 377 S CB 1.686 64.843 63.200 -0.071 0.000 1.077 377 S HN 0.667 nan 8.310 nan 0.000 0.485 378 D N 1.401 121.799 120.400 -0.005 0.000 2.274 378 D HA 0.253 4.893 4.640 -0.000 0.000 0.239 378 D C 0.806 177.113 176.300 0.011 0.000 1.104 378 D CA -0.902 53.098 54.000 -0.000 0.000 0.840 378 D CB 0.606 41.357 40.800 -0.080 0.000 1.100 378 D HN 0.430 nan 8.370 nan 0.000 0.477 379 F N 3.645 123.641 119.950 0.076 0.000 2.365 379 F HA 0.039 4.566 4.527 -0.000 0.000 0.300 379 F C 1.830 177.482 175.800 -0.246 0.000 1.090 379 F CA 0.385 58.238 58.000 -0.246 0.000 1.408 379 F CB -0.351 38.617 39.000 -0.053 0.000 1.060 379 F HN 0.220 nan 8.300 nan 0.000 0.534 380 R N 0.983 120.879 120.500 -1.008 0.000 2.117 380 R HA -0.172 4.167 4.340 -0.000 0.000 0.243 380 R C 0.497 176.621 176.300 -0.293 0.000 1.143 380 R CA 1.741 57.453 56.100 -0.645 0.000 0.968 380 R CB -0.785 29.157 30.300 -0.597 0.000 0.863 380 R HN 0.551 nan 8.270 nan 0.000 0.444 381 D N -1.587 118.665 120.400 -0.247 0.000 2.892 381 D HA 0.090 4.730 4.640 -0.000 0.000 0.291 381 D C -0.747 175.450 176.300 -0.171 0.000 1.341 381 D CA -0.549 53.358 54.000 -0.155 0.000 0.844 381 D CB -0.462 40.280 40.800 -0.095 0.000 1.093 381 D HN -0.029 nan 8.370 nan 0.000 0.480 382 N N 0.369 118.884 118.700 -0.309 0.000 2.727 382 N HA -0.271 4.469 4.740 -0.000 0.000 0.249 382 N C -0.719 174.554 175.510 -0.396 0.000 1.048 382 N CA 0.661 53.415 53.050 -0.494 0.000 0.714 382 N CB -1.097 37.245 38.487 -0.242 0.000 0.959 382 N HN 0.272 nan 8.380 nan 0.000 0.544 383 F N -5.490 114.463 119.950 0.005 0.000 2.884 383 F HA -0.321 4.206 4.527 -0.000 0.000 0.294 383 F C 1.688 177.497 175.800 0.015 0.000 0.723 383 F CA 0.496 58.493 58.000 -0.005 0.000 1.294 383 F CB -2.032 36.970 39.000 0.003 0.000 1.551 383 F HN 0.282 nan 8.300 nan 0.000 0.363 384 A N -1.068 121.824 122.820 0.120 0.000 1.898 384 A HA -0.006 4.314 4.320 -0.000 0.000 0.216 384 A C 1.464 179.125 177.584 0.127 0.000 1.181 384 A CA 1.859 53.963 52.037 0.112 0.000 0.620 384 A CB -0.467 18.563 19.000 0.049 0.000 0.819 384 A HN 0.343 nan 8.150 nan 0.000 0.442 385 T N 1.042 115.642 114.554 0.077 0.000 2.769 385 T HA 0.441 4.791 4.350 -0.000 0.000 0.293 385 T C -0.243 174.513 174.700 0.093 0.000 0.931 385 T CA 0.681 62.816 62.100 0.058 0.000 1.139 385 T CB 0.171 69.047 68.868 0.014 0.000 0.881 385 T HN 0.358 nan 8.240 nan 0.000 0.532 386 S N 3.470 119.237 115.700 0.112 0.000 2.543 386 S HA 0.682 5.152 4.470 -0.000 0.000 0.274 386 S C -1.904 172.778 174.600 0.137 0.000 1.149 386 S CA -0.890 57.393 58.200 0.139 0.000 0.866 386 S CB 1.076 64.409 63.200 0.220 0.000 1.111 386 S HN 0.664 nan 8.310 nan 0.000 0.457 387 L N 3.868 125.183 121.223 0.152 0.000 2.436 387 L HA 0.902 5.242 4.340 -0.000 0.000 0.268 387 L C -1.810 175.181 176.870 0.202 0.000 0.974 387 L CA -0.520 54.414 54.840 0.157 0.000 0.826 387 L CB 1.840 43.990 42.059 0.152 0.000 1.291 387 L HN 0.566 nan 8.230 nan 0.000 0.406 388 V N 2.804 122.830 119.914 0.187 0.000 2.623 388 V HA 0.547 4.667 4.120 -0.000 0.000 0.304 388 V C -0.559 175.558 176.094 0.039 0.000 1.054 388 V CA -0.412 61.965 62.300 0.128 0.000 0.882 388 V CB 2.106 34.002 31.823 0.122 0.000 1.002 388 V HN 0.783 nan 8.190 nan 0.000 0.424 389 T N 4.821 119.297 114.554 -0.130 0.000 2.840 389 T HA 0.483 4.833 4.350 -0.000 0.000 0.287 389 T C -0.120 174.392 174.700 -0.313 0.000 0.991 389 T CA -0.628 61.301 62.100 -0.285 0.000 0.964 389 T CB 1.219 69.725 68.868 -0.604 0.000 0.954 389 T HN 0.522 nan 8.240 nan 0.000 0.438 390 R N 1.513 121.915 120.500 -0.162 0.000 2.490 390 R HA 0.661 5.001 4.340 -0.000 0.000 0.278 390 R C 0.110 176.344 176.300 -0.108 0.000 1.069 390 R CA -0.518 55.517 56.100 -0.110 0.000 1.080 390 R CB 0.826 31.103 30.300 -0.039 0.000 1.030 390 R HN 0.684 nan 8.270 nan 0.000 0.491 391 A N 1.298 124.080 122.820 -0.063 0.000 2.306 391 A HA 0.423 4.743 4.320 -0.000 0.000 0.314 391 A C -0.121 177.507 177.584 0.074 0.000 1.164 391 A CA -0.352 51.684 52.037 -0.002 0.000 0.822 391 A CB 1.429 20.435 19.000 0.011 0.000 1.130 391 A HN 0.642 nan 8.150 nan 0.000 0.496 392 T N 0.867 115.521 114.554 0.167 0.000 2.893 392 T HA 0.617 4.967 4.350 -0.000 0.000 0.293 392 T C -0.723 174.217 174.700 0.399 0.000 1.027 392 T CA -0.752 61.493 62.100 0.242 0.000 0.988 392 T CB 0.872 69.902 68.868 0.269 0.000 1.043 392 T HN 0.882 nan 8.240 nan 0.000 0.461 393 K N 3.795 124.317 120.400 0.204 0.000 2.267 393 K HA 0.687 5.007 4.320 -0.000 0.000 0.246 393 K C -1.138 175.229 176.600 -0.387 0.000 0.954 393 K CA -1.227 55.082 56.287 0.037 0.000 0.824 393 K CB 1.901 34.392 32.500 -0.014 0.000 1.167 393 K HN 0.483 nan 8.250 nan 0.000 0.431 394 L N 3.061 123.767 121.223 -0.863 0.000 2.296 394 L HA 0.431 4.771 4.340 -0.000 0.000 0.286 394 L C -1.363 175.216 176.870 -0.485 0.000 1.023 394 L CA -0.823 53.389 54.840 -1.045 0.000 0.812 394 L CB 1.692 42.704 42.059 -1.746 0.000 1.223 394 L HN 0.573 nan 8.230 nan 0.000 0.421 395 V N 5.724 125.362 119.914 -0.460 0.000 2.444 395 V HA 0.393 4.513 4.120 -0.000 0.000 0.294 395 V C -0.139 175.905 176.094 -0.084 0.000 1.022 395 V CA -0.683 61.490 62.300 -0.212 0.000 0.850 395 V CB 2.066 33.735 31.823 -0.255 0.000 0.992 395 V HN 0.489 nan 8.190 nan 0.000 0.426 396 V N 3.931 123.904 119.914 0.099 0.000 2.334 396 V HA 0.598 4.718 4.120 -0.000 0.000 0.281 396 V C 0.167 176.402 176.094 0.235 0.000 1.016 396 V CA -0.004 62.382 62.300 0.143 0.000 0.832 396 V CB 1.444 33.384 31.823 0.194 0.000 0.999 396 V HN 0.885 nan 8.190 nan 0.000 0.439 397 S N 4.211 120.007 115.700 0.160 0.000 2.634 397 S HA 0.868 5.338 4.470 -0.000 0.000 0.296 397 S C -0.937 173.715 174.600 0.086 0.000 1.104 397 S CA -0.555 57.684 58.200 0.066 0.000 0.920 397 S CB 2.043 65.229 63.200 -0.023 0.000 1.111 397 S HN 0.928 nan 8.310 nan 0.000 0.493 398 Q N 1.806 121.618 119.800 0.021 0.000 2.534 398 Q HA 0.695 5.035 4.340 -0.000 0.000 0.290 398 Q C -1.891 174.134 176.000 0.041 0.000 0.991 398 Q CA -0.915 54.968 55.803 0.133 0.000 0.783 398 Q CB 1.312 30.248 28.738 0.331 0.000 1.470 398 Q HN 0.644 nan 8.270 nan 0.000 0.406 399 I N 2.610 123.251 120.570 0.119 0.000 2.548 399 I HA 0.489 4.658 4.170 -0.000 0.000 0.287 399 I C -1.260 174.981 176.117 0.207 0.000 1.103 399 I CA -0.863 60.475 61.300 0.063 0.000 1.049 399 I CB 1.555 39.557 38.000 0.003 0.000 1.232 399 I HN 0.696 nan 8.210 nan 0.000 0.429 400 F N 3.000 123.029 119.950 0.132 0.000 2.561 400 F HA 0.786 5.313 4.527 -0.000 0.000 0.321 400 F C -0.529 175.361 175.800 0.151 0.000 1.065 400 F CA -0.796 57.294 58.000 0.150 0.000 0.934 400 F CB 1.536 40.632 39.000 0.159 0.000 1.215 400 F HN 0.139 nan 8.300 nan 0.000 0.471 401 T N 2.476 117.248 114.554 0.363 0.000 2.771 401 T HA 0.670 5.020 4.350 -0.000 0.000 0.281 401 T C -0.354 174.503 174.700 0.262 0.000 0.982 401 T CA -0.412 61.812 62.100 0.206 0.000 0.978 401 T CB 1.148 70.086 68.868 0.116 0.000 0.930 401 T HN 0.901 nan 8.240 nan 0.000 0.447 402 A N 2.880 125.828 122.820 0.212 0.000 2.786 402 A HA 0.758 5.078 4.320 -0.000 0.000 0.346 402 A C 1.129 178.665 177.584 -0.080 0.000 1.265 402 A CA 0.068 52.153 52.037 0.080 0.000 0.858 402 A CB -0.925 18.236 19.000 0.269 0.000 1.118 402 A HN 1.459 nan 8.150 nan 0.000 0.482 403 A N 1.861 124.622 122.820 -0.098 0.000 5.002 403 A HA -0.298 4.022 4.320 -0.000 0.000 0.326 403 A C 0.974 178.584 177.584 0.043 0.000 1.875 403 A CA 1.568 53.597 52.037 -0.013 0.000 0.708 403 A CB -2.029 16.953 19.000 -0.029 0.000 1.371 403 A HN 1.559 nan 8.150 nan 0.000 0.378 407 Y N 0.122 120.095 120.300 -0.546 0.000 2.328 407 Y HA 0.367 4.917 4.550 -0.000 0.000 0.336 407 Y C -0.035 175.605 175.900 -0.434 0.000 0.960 407 Y CA -0.729 57.034 58.100 -0.561 0.000 1.134 407 Y CB 1.459 39.347 38.460 -0.953 0.000 1.166 407 Y HN 0.485 nan 8.280 nan 0.000 0.464 408 C N 5.819 125.032 119.300 -0.145 0.000 2.239 408 C HA 0.551 5.011 4.460 -0.000 0.000 0.325 408 C C 0.020 174.848 174.990 -0.270 0.000 1.231 408 C CA -1.195 57.713 59.018 -0.183 0.000 1.652 408 C CB -1.260 26.480 27.740 0.001 0.000 2.284 408 C HN 0.634 nan 8.230 nan 0.000 0.499 409 L N 3.804 124.791 121.223 -0.394 0.000 2.295 409 L HA 0.503 4.843 4.340 -0.000 0.000 0.285 409 L C -0.981 175.522 176.870 -0.611 0.000 1.035 409 L CA -0.376 54.249 54.840 -0.358 0.000 0.806 409 L CB 0.578 42.573 42.059 -0.105 0.000 1.214 409 L HN 0.597 nan 8.230 nan 0.000 0.426 410 Y N 0.878 121.029 120.300 -0.247 0.000 2.349 410 Y HA 0.303 4.852 4.550 -0.000 0.000 0.324 410 Y C -0.851 174.862 175.900 -0.313 0.000 1.005 410 Y CA -0.719 57.277 58.100 -0.174 0.000 1.240 410 Y CB 1.045 39.429 38.460 -0.128 0.000 1.117 410 Y HN 0.465 nan 8.280 nan 0.000 0.463 411 W N 3.630 124.943 121.300 0.022 0.000 2.331 411 W HA 0.648 5.307 4.660 -0.000 0.000 0.306 411 W C -0.910 175.546 176.519 -0.105 0.000 1.162 411 W CA -0.760 56.529 57.345 -0.093 0.000 1.232 411 W CB 1.177 30.586 29.460 -0.085 0.000 1.235 411 W HN 0.132 nan 8.180 nan 0.000 0.479 412 V N 5.200 125.078 119.914 -0.061 0.000 2.444 412 V HA 0.411 4.531 4.120 -0.000 0.000 0.294 412 V C -0.604 175.340 176.094 -0.249 0.000 1.022 412 V CA -1.136 61.105 62.300 -0.098 0.000 0.850 412 V CB 0.676 32.440 31.823 -0.099 0.000 0.992 412 V HN 0.201 nan 8.190 nan 0.000 0.426 413 F N 4.503 124.315 119.950 -0.230 0.000 2.421 413 F HA 0.715 5.242 4.527 -0.000 0.000 0.337 413 F C 0.368 176.248 175.800 0.134 0.000 1.105 413 F CA -0.472 57.401 58.000 -0.211 0.000 1.049 413 F CB 1.641 40.380 39.000 -0.436 0.000 1.139 413 F HN 0.272 nan 8.300 nan 0.000 0.479 414 M N 1.987 121.893 119.600 0.510 0.000 2.664 414 M HA 0.314 4.794 4.480 -0.000 0.000 0.314 414 M C 0.558 177.263 176.300 0.676 0.000 1.200 414 M CA -0.624 55.010 55.300 0.556 0.000 0.916 414 M CB 2.125 34.898 32.600 0.289 0.000 1.717 414 M HN 0.580 nan 8.290 nan 0.000 0.470 415 Q N 0.828 120.905 119.800 0.461 0.000 2.515 415 Q HA -0.094 4.246 4.340 -0.000 0.000 0.212 415 Q C 0.195 176.299 176.000 0.173 0.000 0.970 415 Q CA 0.585 56.541 55.803 0.255 0.000 0.941 415 Q CB -0.058 28.753 28.738 0.122 0.000 0.998 415 Q HN 0.600 nan 8.270 nan 0.000 0.518 416 D N -1.691 118.825 120.400 0.192 0.000 2.395 416 D HA 0.079 4.719 4.640 -0.000 0.000 0.213 416 D C 1.096 177.421 176.300 0.042 0.000 1.110 416 D CA 0.520 54.570 54.000 0.084 0.000 0.835 416 D CB 0.469 41.333 40.800 0.105 0.000 0.965 416 D HN 0.196 nan 8.370 nan 0.000 0.505 417 G N 0.040 108.954 108.800 0.189 0.000 2.175 417 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.244 417 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.244 417 G C 0.513 175.732 174.900 0.532 0.000 0.982 417 G CA 0.133 45.390 45.100 0.262 0.000 0.641 417 G HN 0.810 nan 8.290 nan 0.000 0.527 418 A N -0.193 122.849 122.820 0.369 0.000 2.322 418 A HA 0.806 5.125 4.320 -0.000 0.000 0.269 418 A C 0.178 177.890 177.584 0.212 0.000 1.094 418 A CA -0.077 52.127 52.037 0.277 0.000 0.807 418 A CB 0.555 19.630 19.000 0.126 0.000 1.047 418 A HN 0.795 nan 8.150 nan 0.000 0.487 419 I N 0.912 121.529 120.570 0.079 0.000 2.465 419 I HA 0.495 4.665 4.170 -0.000 0.000 0.291 419 I C 0.137 176.153 176.117 -0.168 0.000 1.014 419 I CA -0.404 60.751 61.300 -0.243 0.000 1.093 419 I CB 1.899 39.673 38.000 -0.377 0.000 1.267 419 I HN 0.809 nan 8.210 nan 0.000 0.431 420 R N 6.439 126.801 120.500 -0.230 0.000 2.750 420 R HA 0.645 4.985 4.340 -0.000 0.000 0.281 420 R C -1.969 174.176 176.300 -0.258 0.000 0.972 420 R CA -0.701 55.283 56.100 -0.194 0.000 0.912 420 R CB 2.275 32.491 30.300 -0.139 0.000 1.187 420 R HN 0.615 nan 8.270 nan 0.000 0.464 421 L N 4.070 125.095 121.223 -0.331 0.000 2.319 421 L HA 0.465 4.805 4.340 -0.000 0.000 0.281 421 L C -1.507 175.139 176.870 -0.372 0.000 1.005 421 L CA -0.632 53.899 54.840 -0.515 0.000 0.828 421 L CB 1.638 43.256 42.059 -0.735 0.000 1.227 421 L HN 0.752 nan 8.230 nan 0.000 0.415 422 D N 5.853 126.087 120.400 -0.276 0.000 2.248 422 D HA 0.584 5.224 4.640 -0.000 0.000 0.246 422 D C -0.389 175.876 176.300 -0.057 0.000 1.027 422 D CA -0.022 53.889 54.000 -0.148 0.000 0.853 422 D CB 2.860 43.578 40.800 -0.136 0.000 1.243 422 D HN 0.366 nan 8.370 nan 0.000 0.462 423 I N 1.267 121.800 120.570 -0.061 0.000 2.647 423 I HA 0.383 4.553 4.170 -0.000 0.000 0.295 423 I C -0.164 175.950 176.117 -0.005 0.000 1.078 423 I CA -0.773 60.497 61.300 -0.050 0.000 1.048 423 I CB 2.238 40.094 38.000 -0.239 0.000 1.239 423 I HN -0.054 nan 8.210 nan 0.000 0.421 424 R N 6.049 126.576 120.500 0.045 0.000 2.476 424 R HA 0.611 4.951 4.340 -0.000 0.000 0.305 424 R C -1.358 174.882 176.300 -0.100 0.000 0.965 424 R CA -0.828 55.264 56.100 -0.012 0.000 0.867 424 R CB 2.183 32.512 30.300 0.048 0.000 1.176 424 R HN 0.482 nan 8.270 nan 0.000 0.447 425 L N 2.108 123.229 121.223 -0.170 0.000 2.292 425 L HA 0.500 4.839 4.340 -0.000 0.000 0.284 425 L C 0.606 177.312 176.870 -0.273 0.000 1.065 425 L CA -0.144 54.505 54.840 -0.318 0.000 0.806 425 L CB 1.577 43.403 42.059 -0.388 0.000 1.175 425 L HN 0.655 nan 8.230 nan 0.000 0.431 426 T N 0.900 115.261 114.554 -0.320 0.000 2.612 426 T HA 0.797 5.147 4.350 -0.000 0.000 0.296 426 T C -0.147 174.390 174.700 -0.272 0.000 1.148 426 T CA 0.433 62.387 62.100 -0.243 0.000 1.077 426 T CB 1.494 70.244 68.868 -0.197 0.000 1.591 426 T HN 1.011 nan 8.240 nan 0.000 0.479 427 G N 0.309 108.959 108.800 -0.250 0.000 2.445 427 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.212 427 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.212 427 G C -1.173 173.575 174.900 -0.254 0.000 1.217 427 G CA -0.194 44.752 45.100 -0.256 0.000 1.002 427 G HN 0.927 nan 8.290 nan 0.000 0.574 428 I N 0.794 121.205 120.570 -0.264 0.000 2.608 428 I HA 0.459 4.629 4.170 -0.000 0.000 0.295 428 I C 0.642 176.630 176.117 -0.215 0.000 1.049 428 I CA -0.921 60.214 61.300 -0.275 0.000 1.063 428 I CB 1.872 39.596 38.000 -0.461 0.000 1.248 428 I HN 0.518 nan 8.210 nan 0.000 0.424 429 L N 4.412 125.611 121.223 -0.040 0.000 2.485 429 L HA 0.046 4.386 4.340 -0.000 0.000 0.275 429 L C 0.876 177.712 176.870 -0.057 0.000 1.207 429 L CA 0.247 55.092 54.840 0.008 0.000 0.855 429 L CB -0.021 42.108 42.059 0.116 0.000 1.114 429 L HN 0.673 nan 8.230 nan 0.000 0.485 430 N N 1.751 120.418 118.700 -0.055 0.000 2.420 430 N HA 0.082 4.821 4.740 -0.000 0.000 0.262 430 N C -0.714 174.835 175.510 0.064 0.000 1.144 430 N CA -0.403 52.681 53.050 0.057 0.000 0.952 430 N CB 0.743 39.279 38.487 0.081 0.000 1.081 430 N HN 0.680 nan 8.380 nan 0.000 0.480 431 T N 1.014 115.696 114.554 0.214 0.000 2.912 431 T HA 0.374 4.724 4.350 -0.000 0.000 0.288 431 T C -0.926 173.881 174.700 0.177 0.000 1.030 431 T CA -0.703 61.481 62.100 0.141 0.000 1.020 431 T CB 1.613 70.604 68.868 0.205 0.000 1.056 431 T HN 0.504 nan 8.240 nan 0.000 0.480 432 Y N 1.245 121.435 120.300 -0.184 0.000 2.602 432 Y HA 0.676 5.226 4.550 -0.000 0.000 0.342 432 Y C -0.602 175.214 175.900 -0.139 0.000 1.029 432 Y CA -2.248 55.733 58.100 -0.198 0.000 1.080 432 Y CB 1.490 39.742 38.460 -0.348 0.000 1.284 432 Y HN 0.964 nan 8.280 nan 0.000 0.485 433 I N 4.000 123.893 120.570 -1.128 0.000 2.638 433 I HA 0.271 4.441 4.170 -0.000 0.000 0.286 433 I C -1.326 174.506 176.117 -0.477 0.000 1.088 433 I CA -0.393 60.485 61.300 -0.703 0.000 1.397 433 I CB 0.605 38.209 38.000 -0.660 0.000 1.414 433 I HN 0.584 nan 8.210 nan 0.000 0.566 434 L N 7.377 128.457 121.223 -0.238 0.000 2.381 434 L HA 0.628 4.968 4.340 -0.000 0.000 0.274 434 L C 0.082 176.902 176.870 -0.082 0.000 0.988 434 L CA -0.103 54.671 54.840 -0.110 0.000 0.824 434 L CB 1.460 43.467 42.059 -0.085 0.000 1.263 434 L HN 0.631 nan 8.230 nan 0.000 0.410 435 G N 2.599 111.378 108.800 -0.035 0.000 2.614 435 G HA2 0.058 4.018 3.960 -0.000 0.000 0.239 435 G HA3 0.058 4.018 3.960 -0.000 0.000 0.239 435 G C 0.444 175.333 174.900 -0.019 0.000 1.240 435 G CA -0.116 44.972 45.100 -0.020 0.000 0.842 435 G HN 0.808 nan 8.290 nan 0.000 0.584 436 D N 0.197 120.592 120.400 -0.009 0.000 2.133 436 D HA -0.110 4.530 4.640 -0.000 0.000 0.195 436 D C 0.978 177.273 176.300 -0.009 0.000 0.997 436 D CA 1.362 55.360 54.000 -0.003 0.000 0.840 436 D CB 0.267 41.072 40.800 0.009 0.000 0.947 436 D HN 0.406 nan 8.370 nan 0.000 0.452 437 D N 0.369 120.767 120.400 -0.004 0.000 2.462 437 D HA 0.027 4.667 4.640 -0.000 0.000 0.221 437 D C 0.269 176.570 176.300 0.000 0.000 1.173 437 D CA -0.080 53.918 54.000 -0.004 0.000 0.831 437 D CB 0.564 41.364 40.800 -0.001 0.000 1.001 437 D HN 0.287 nan 8.370 nan 0.000 0.499 438 E N 1.667 121.869 120.200 0.004 0.000 2.338 438 E HA 0.065 4.415 4.350 -0.000 0.000 0.272 438 E C -0.292 176.315 176.600 0.011 0.000 1.029 438 E CA -0.406 56.005 56.400 0.019 0.000 0.872 438 E CB 0.966 30.687 29.700 0.034 0.000 1.015 438 E HN -0.189 nan 8.360 nan 0.000 0.417 439 E N 2.933 123.142 120.200 0.016 0.000 2.229 439 E HA 0.199 4.549 4.350 -0.000 0.000 0.283 439 E C -0.156 176.455 176.600 0.019 0.000 1.030 439 E CA 0.035 56.435 56.400 -0.000 0.000 0.836 439 E CB 1.320 31.010 29.700 -0.017 0.000 1.068 439 E HN 0.532 nan 8.360 nan 0.000 0.401 440 A N 4.390 127.217 122.820 0.011 0.000 2.264 440 A HA 0.247 4.566 4.320 -0.000 0.000 0.207 440 A C 1.340 178.938 177.584 0.025 0.000 1.196 440 A CA 0.796 52.861 52.037 0.048 0.000 0.778 440 A CB -1.497 17.521 19.000 0.031 0.000 0.779 440 A HN 1.030 nan 8.150 nan 0.000 0.483 441 G N 0.204 108.974 108.800 -0.050 0.000 2.566 441 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.308 441 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.308 441 G C -0.794 173.930 174.900 -0.294 0.000 1.317 441 G CA 0.279 45.261 45.100 -0.198 0.000 0.930 441 G HN 0.391 nan 8.290 nan 0.000 0.547 442 P HA 0.086 nan 4.420 nan 0.000 0.245 442 P C 1.117 178.221 177.300 -0.326 0.000 1.203 442 P CA 1.359 64.109 63.100 -0.584 0.000 0.792 442 P CB -0.062 31.110 31.700 -0.880 0.000 0.997 443 W N 0.678 122.016 121.300 0.064 0.000 3.139 443 W HA 0.366 5.026 4.660 -0.000 0.000 0.260 443 W C 1.065 177.661 176.519 0.130 0.000 1.312 443 W CA -0.116 57.267 57.345 0.062 0.000 1.606 443 W CB 0.235 29.677 29.460 -0.031 0.000 1.118 443 W HN -0.010 nan 8.180 nan 0.000 0.675 444 G N -0.578 108.401 108.800 0.299 0.000 2.606 444 G HA2 0.518 4.478 3.960 -0.000 0.000 0.300 444 G HA3 0.518 4.478 3.960 -0.000 0.000 0.300 444 G C -1.463 173.521 174.900 0.139 0.000 1.360 444 G CA -0.639 44.623 45.100 0.270 0.000 0.783 444 G HN -0.288 nan 8.290 nan 0.000 0.484 445 T N -0.011 114.597 114.554 0.089 0.000 2.861 445 T HA 0.495 4.845 4.350 -0.000 0.000 0.287 445 T C -0.107 174.581 174.700 -0.020 0.000 1.003 445 T CA -0.635 61.486 62.100 0.036 0.000 0.977 445 T CB 1.955 70.852 68.868 0.048 0.000 0.996 445 T HN 0.574 nan 8.240 nan 0.000 0.448 446 R N 2.686 123.166 120.500 -0.033 0.000 2.272 446 R HA 0.317 4.657 4.340 -0.000 0.000 0.334 446 R C 0.931 177.184 176.300 -0.079 0.000 1.117 446 R CA -0.229 55.827 56.100 -0.073 0.000 0.966 446 R CB -0.195 30.065 30.300 -0.067 0.000 1.049 446 R HN 0.573 nan 8.270 nan 0.000 0.477 447 V N 2.124 121.955 119.914 -0.139 0.000 3.647 447 V HA 0.301 4.421 4.120 -0.000 0.000 0.279 447 V C -0.391 175.684 176.094 -0.032 0.000 1.314 447 V CA -0.082 62.148 62.300 -0.118 0.000 1.125 447 V CB -0.908 30.775 31.823 -0.234 0.000 0.907 447 V HN 0.696 nan 8.190 nan 0.000 0.434 448 Y N -0.876 119.268 120.300 -0.261 0.000 2.598 448 Y HA 0.523 5.072 4.550 -0.000 0.000 0.333 448 Y C -3.172 172.583 175.900 -0.240 0.000 1.196 448 Y CA -2.046 55.944 58.100 -0.183 0.000 1.145 448 Y CB 1.485 39.852 38.460 -0.155 0.000 1.349 448 Y HN -0.094 nan 8.280 nan 0.000 0.469 449 P HA 0.078 nan 4.420 nan 0.000 0.261 449 P C -0.454 176.582 177.300 -0.439 0.000 1.173 449 P CA 1.265 63.947 63.100 -0.696 0.000 0.760 449 P CB 0.293 31.225 31.700 -1.280 0.000 0.783 450 N N -0.425 118.123 118.700 -0.253 0.000 2.828 450 N HA -0.134 4.606 4.740 -0.000 0.000 0.248 450 N C -0.782 174.632 175.510 -0.159 0.000 1.044 450 N CA 0.760 53.715 53.050 -0.159 0.000 0.851 450 N CB -1.430 36.989 38.487 -0.113 0.000 1.136 450 N HN 0.177 nan 8.380 nan 0.000 0.572 451 V N 1.233 121.053 119.914 -0.158 0.000 2.409 451 V HA 0.326 4.446 4.120 -0.000 0.000 0.291 451 V C 0.296 176.278 176.094 -0.188 0.000 1.020 451 V CA -0.800 61.393 62.300 -0.180 0.000 0.848 451 V CB 2.026 33.703 31.823 -0.244 0.000 0.990 451 V HN 0.195 nan 8.190 nan 0.000 0.430 452 N N 3.163 121.759 118.700 -0.173 0.000 2.476 452 N HA 0.638 5.378 4.740 -0.000 0.000 0.257 452 N C -0.407 174.972 175.510 -0.218 0.000 0.970 452 N CA -0.441 52.521 53.050 -0.146 0.000 0.938 452 N CB 1.266 39.706 38.487 -0.077 0.000 1.144 452 N HN 0.834 nan 8.380 nan 0.000 0.500 453 A N 3.559 126.288 122.820 -0.153 0.000 2.294 453 A HA 0.259 4.579 4.320 -0.000 0.000 0.316 453 A C -0.593 176.994 177.584 0.005 0.000 1.359 453 A CA -0.426 51.541 52.037 -0.116 0.000 0.956 453 A CB -0.102 18.846 19.000 -0.087 0.000 1.155 453 A HN 0.843 nan 8.150 nan 0.000 0.544 454 H N 2.087 121.175 119.070 0.031 0.000 2.771 454 H HA 0.072 4.628 4.556 -0.000 0.000 0.364 454 H C 0.229 175.646 175.328 0.149 0.000 1.133 454 H CA -0.418 55.672 56.048 0.070 0.000 1.423 454 H CB 0.685 30.442 29.762 -0.008 0.000 1.425 454 H HN 0.664 nan 8.280 nan 0.000 0.606 455 N N 2.665 121.534 118.700 0.281 0.000 2.453 455 N HA 0.028 4.768 4.740 -0.000 0.000 0.253 455 N C -0.199 175.364 175.510 0.088 0.000 1.252 455 N CA 0.329 53.438 53.050 0.098 0.000 0.917 455 N CB 0.510 39.081 38.487 0.141 0.000 1.117 455 N HN 0.700 nan 8.380 nan 0.000 0.442 456 H N -2.064 116.908 119.070 -0.164 0.000 3.024 456 H HA 0.309 4.865 4.556 -0.000 0.000 0.324 456 H C -1.415 173.797 175.328 -0.193 0.000 1.347 456 H CA -0.767 55.189 56.048 -0.153 0.000 1.182 456 H CB 0.832 30.515 29.762 -0.131 0.000 1.889 456 H HN 0.416 nan 8.280 nan 0.000 0.528 457 Q N 0.678 120.370 119.800 -0.179 0.000 2.297 457 Q HA 0.388 4.728 4.340 -0.000 0.000 0.268 457 Q C -0.757 175.133 176.000 -0.183 0.000 1.045 457 Q CA -1.011 54.692 55.803 -0.167 0.000 0.861 457 Q CB 2.382 31.054 28.738 -0.110 0.000 1.344 457 Q HN 0.516 nan 8.270 nan 0.000 0.452 458 H N 1.616 120.704 119.070 0.029 0.000 2.762 458 H HA 0.399 4.955 4.556 -0.000 0.000 0.310 458 H C -0.980 174.240 175.328 -0.179 0.000 1.004 458 H CA -0.228 55.806 56.048 -0.023 0.000 1.267 458 H CB 0.697 30.564 29.762 0.176 0.000 1.437 458 H HN 0.360 nan 8.280 nan 0.000 0.498 459 L N 4.104 125.170 121.223 -0.261 0.000 2.346 459 L HA 0.449 4.789 4.340 -0.000 0.000 0.276 459 L C -0.748 175.884 176.870 -0.397 0.000 1.006 459 L CA -0.762 53.966 54.840 -0.187 0.000 0.817 459 L CB 1.285 43.328 42.059 -0.028 0.000 1.272 459 L HN 0.298 nan 8.230 nan 0.000 0.421 460 F N 0.203 120.013 119.950 -0.232 0.000 2.538 460 F HA 0.449 4.976 4.527 -0.000 0.000 0.325 460 F C 0.419 176.121 175.800 -0.163 0.000 1.066 460 F CA -0.813 57.000 58.000 -0.311 0.000 0.946 460 F CB 2.106 40.679 39.000 -0.711 0.000 1.199 460 F HN 0.241 nan 8.300 nan 0.000 0.473 461 S N 3.301 118.942 115.700 -0.098 0.000 2.577 461 S HA 0.394 4.864 4.470 -0.000 0.000 0.294 461 S C -0.863 173.813 174.600 0.128 0.000 1.161 461 S CA -0.593 57.528 58.200 -0.133 0.000 1.143 461 S CB -0.036 62.629 63.200 -0.891 0.000 0.991 461 S HN 0.635 nan 8.310 nan 0.000 0.475 462 L N 5.691 127.107 121.223 0.323 0.000 2.418 462 L HA 0.395 4.735 4.340 -0.000 0.000 0.274 462 L C 0.357 177.268 176.870 0.069 0.000 1.135 462 L CA -0.111 54.881 54.840 0.253 0.000 0.870 462 L CB 0.409 42.633 42.059 0.275 0.000 1.154 462 L HN 0.656 nan 8.230 nan 0.000 0.462 463 R N 6.416 126.846 120.500 -0.115 0.000 2.265 463 R HA 0.523 4.863 4.340 -0.000 0.000 0.328 463 R C -1.189 174.872 176.300 -0.399 0.000 0.969 463 R CA -0.535 55.248 56.100 -0.528 0.000 0.832 463 R CB 0.800 30.742 30.300 -0.597 0.000 1.139 463 R HN 0.638 nan 8.270 nan 0.000 0.457 464 I N 3.762 124.100 120.570 -0.386 0.000 2.382 464 I HA 0.167 4.337 4.170 -0.000 0.000 0.286 464 I C -0.646 175.337 176.117 -0.222 0.000 1.002 464 I CA -0.768 60.322 61.300 -0.350 0.000 1.135 464 I CB 1.851 39.609 38.000 -0.404 0.000 1.288 464 I HN 0.532 nan 8.210 nan 0.000 0.448 465 D N 9.746 130.048 120.400 -0.163 0.000 2.473 465 D HA 0.314 4.954 4.640 -0.000 0.000 0.226 465 D C -2.511 173.829 176.300 0.067 0.000 1.089 465 D CA -2.090 51.904 54.000 -0.010 0.000 0.883 465 D CB 1.365 42.195 40.800 0.050 0.000 1.029 465 D HN 0.150 nan 8.370 nan 0.000 0.517 466 P HA 0.345 nan 4.420 nan 0.000 0.279 466 P C -0.496 176.885 177.300 0.135 0.000 1.252 466 P CA -0.617 62.625 63.100 0.237 0.000 0.811 466 P CB 1.366 33.193 31.700 0.211 0.000 1.035 467 R N 2.033 122.604 120.500 0.118 0.000 2.583 467 R HA 0.260 4.600 4.340 -0.000 0.000 0.282 467 R C -0.157 176.165 176.300 0.036 0.000 1.288 467 R CA -0.352 55.781 56.100 0.055 0.000 1.415 467 R CB -0.170 30.169 30.300 0.064 0.000 1.331 467 R HN 0.311 nan 8.270 nan 0.000 0.719 468 I N 2.579 123.180 120.570 0.051 0.000 2.792 468 I HA -0.059 4.111 4.170 -0.000 0.000 0.284 468 I C 0.508 176.721 176.117 0.160 0.000 1.166 468 I CA 1.000 62.368 61.300 0.112 0.000 1.375 468 I CB -0.331 37.778 38.000 0.181 0.000 1.421 468 I HN 0.620 nan 8.210 nan 0.000 0.544 469 D N 5.047 125.584 120.400 0.229 0.000 2.751 469 D HA -0.151 4.489 4.640 -0.000 0.000 0.233 469 D C 0.570 176.884 176.300 0.024 0.000 1.149 469 D CA 1.674 55.722 54.000 0.080 0.000 0.682 469 D CB -0.662 40.067 40.800 -0.117 0.000 1.068 469 D HN 1.208 nan 8.370 nan 0.000 0.429 470 G N -1.005 107.820 108.800 0.041 0.000 2.362 470 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.517 470 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.517 470 G C -1.110 173.795 174.900 0.007 0.000 1.256 470 G CA -0.258 44.852 45.100 0.016 0.000 1.027 470 G HN 0.215 nan 8.290 nan 0.000 0.491 471 D N 0.627 121.021 120.400 -0.009 0.000 2.283 471 D HA 0.538 5.177 4.640 -0.000 0.000 0.248 471 D C 0.787 177.075 176.300 -0.020 0.000 1.072 471 D CA 1.282 55.268 54.000 -0.023 0.000 0.929 471 D CB 1.279 42.057 40.800 -0.035 0.000 1.182 471 D HN 2.047 nan 8.370 nan 0.000 0.433 472 G N 1.383 110.167 108.800 -0.027 0.000 2.830 472 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.298 472 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.298 472 G C -0.720 174.153 174.900 -0.045 0.000 1.031 472 G CA -0.771 44.312 45.100 -0.028 0.000 1.179 472 G HN 0.413 nan 8.290 nan 0.000 0.527 473 N N -0.320 118.344 118.700 -0.061 0.000 2.453 473 N HA 0.884 5.624 4.740 -0.000 0.000 0.290 473 N C -0.162 175.223 175.510 -0.208 0.000 1.250 473 N CA -0.361 52.616 53.050 -0.122 0.000 0.815 473 N CB 2.182 40.641 38.487 -0.046 0.000 1.381 473 N HN 0.470 nan 8.380 nan 0.000 0.510 474 S N -0.733 114.692 115.700 -0.458 0.000 2.651 474 S HA 0.924 5.394 4.470 -0.000 0.000 0.279 474 S C -1.274 173.050 174.600 -0.460 0.000 1.148 474 S CA -0.696 57.187 58.200 -0.528 0.000 0.837 474 S CB 2.039 64.705 63.200 -0.889 0.000 1.138 474 S HN 0.714 nan 8.310 nan 0.000 0.478 475 A N 0.347 123.124 122.820 -0.072 0.000 2.454 475 A HA 1.004 5.324 4.320 -0.000 0.000 0.302 475 A C -1.024 176.559 177.584 -0.001 0.000 1.079 475 A CA -0.558 51.613 52.037 0.223 0.000 0.731 475 A CB 1.561 20.890 19.000 0.549 0.000 1.299 475 A HN 1.427 nan 8.150 nan 0.000 0.413 476 A N -0.142 122.652 122.820 -0.045 0.000 2.594 476 A HA 0.864 5.184 4.320 -0.000 0.000 0.295 476 A C -0.337 177.100 177.584 -0.244 0.000 1.071 476 A CA 0.040 51.777 52.037 -0.500 0.000 0.685 476 A CB 0.980 19.950 19.000 -0.050 0.000 1.285 476 A HN 2.459 nan 8.150 nan 0.000 0.405 477 A N -0.102 122.544 122.820 -0.290 0.000 2.310 477 A HA 0.601 4.921 4.320 -0.000 0.000 0.299 477 A C -0.321 177.177 177.584 -0.144 0.000 1.147 477 A CA -0.303 51.680 52.037 -0.091 0.000 0.818 477 A CB 0.177 19.263 19.000 0.143 0.000 1.096 477 A HN 1.271 nan 8.150 nan 0.000 0.495 478 C N 2.469 121.637 119.300 -0.220 0.000 2.316 478 C HA 0.556 5.016 4.460 -0.000 0.000 0.324 478 C C -0.877 174.006 174.990 -0.178 0.000 1.226 478 C CA -0.901 58.027 59.018 -0.150 0.000 1.450 478 C CB 0.090 27.771 27.740 -0.099 0.000 2.123 478 C HN 0.793 nan 8.230 nan 0.000 0.454 479 D N 2.255 122.563 120.400 -0.152 0.000 2.375 479 D HA 0.511 5.151 4.640 -0.000 0.000 0.247 479 D C -0.202 175.979 176.300 -0.197 0.000 1.061 479 D CA 0.092 53.989 54.000 -0.172 0.000 0.834 479 D CB 2.188 42.897 40.800 -0.151 0.000 1.247 479 D HN 0.650 nan 8.370 nan 0.000 0.489 480 A N 2.781 125.493 122.820 -0.181 0.000 2.401 480 A HA 0.452 4.772 4.320 -0.000 0.000 0.259 480 A C 0.128 177.563 177.584 -0.249 0.000 1.103 480 A CA -0.019 51.902 52.037 -0.193 0.000 0.789 480 A CB 0.471 19.367 19.000 -0.173 0.000 1.035 480 A HN 0.468 nan 8.150 nan 0.000 0.491 481 K N 1.394 121.599 120.400 -0.324 0.000 2.527 481 K HA 0.423 4.743 4.320 -0.000 0.000 0.260 481 K C -0.751 175.822 176.600 -0.046 0.000 0.937 481 K CA -0.607 55.521 56.287 -0.264 0.000 0.826 481 K CB 2.282 34.549 32.500 -0.387 0.000 1.359 481 K HN 0.660 nan 8.250 nan 0.000 0.434 482 S N 0.817 116.556 115.700 0.065 0.000 2.585 482 S HA 0.036 4.506 4.470 -0.000 0.000 0.273 482 S C 0.221 175.012 174.600 0.318 0.000 1.339 482 S CA -0.355 57.965 58.200 0.198 0.000 1.028 482 S CB 1.178 64.452 63.200 0.123 0.000 0.906 482 S HN 0.589 nan 8.310 nan 0.000 0.528 483 S N 2.739 118.649 115.700 0.349 0.000 2.558 483 S HA 0.095 4.565 4.470 -0.000 0.000 0.288 483 S C -1.147 173.585 174.600 0.220 0.000 1.318 483 S CA -1.098 57.299 58.200 0.329 0.000 1.056 483 S CB 0.344 63.709 63.200 0.275 0.000 0.853 483 S HN 0.565 nan 8.310 nan 0.000 0.505 484 P HA -0.009 nan 4.420 nan 0.000 0.229 484 P C -0.212 177.016 177.300 -0.120 0.000 1.160 484 P CA 0.544 63.630 63.100 -0.023 0.000 0.777 484 P CB -0.102 31.527 31.700 -0.119 0.000 0.814 485 Y N 2.806 123.130 120.300 0.040 0.000 2.497 485 Y HA 0.147 4.697 4.550 -0.000 0.000 0.334 485 Y C -1.247 174.671 175.900 0.031 0.000 1.199 485 Y CA -2.098 56.017 58.100 0.024 0.000 1.425 485 Y CB -0.466 38.001 38.460 0.012 0.000 1.291 485 Y HN 0.054 nan 8.280 nan 0.000 0.562 486 P HA 0.033 nan 4.420 nan 0.000 0.276 486 P C -0.458 176.893 177.300 0.085 0.000 1.252 486 P CA -0.523 62.632 63.100 0.091 0.000 0.802 486 P CB 1.201 32.935 31.700 0.056 0.000 1.035 487 L N 0.964 122.221 121.223 0.056 0.000 2.525 487 L HA 0.095 4.435 4.340 -0.000 0.000 0.278 487 L C 1.441 178.310 176.870 -0.002 0.000 1.218 487 L CA 1.887 56.746 54.840 0.032 0.000 0.878 487 L CB -0.735 41.341 42.059 0.028 0.000 1.127 487 L HN 0.909 nan 8.230 nan 0.000 0.492 488 G N 2.575 111.345 108.800 -0.050 0.000 2.176 488 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.253 488 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.253 488 G C 0.270 175.138 174.900 -0.052 0.000 0.979 488 G CA 0.384 45.435 45.100 -0.081 0.000 0.641 488 G HN 0.953 nan 8.290 nan 0.000 0.530 489 S N 0.017 115.711 115.700 -0.010 0.000 2.617 489 S HA 0.649 5.119 4.470 -0.000 0.000 0.269 489 S C -0.948 173.629 174.600 -0.038 0.000 1.292 489 S CA -0.679 57.528 58.200 0.011 0.000 1.010 489 S CB 2.303 65.564 63.200 0.103 0.000 0.944 489 S HN -0.035 nan 8.310 nan 0.000 0.536 490 P HA -0.054 nan 4.420 nan 0.000 0.218 490 P C 0.738 177.969 177.300 -0.115 0.000 1.148 490 P CA 1.116 64.169 63.100 -0.079 0.000 0.822 490 P CB 0.006 31.660 31.700 -0.076 0.000 0.784 491 E N -1.728 118.355 120.200 -0.195 0.000 2.285 491 E HA -0.043 4.306 4.350 -0.000 0.000 0.194 491 E C 0.790 177.312 176.600 -0.129 0.000 0.997 491 E CA 0.721 56.938 56.400 -0.305 0.000 0.845 491 E CB -0.397 28.774 29.700 -0.880 0.000 0.782 491 E HN 0.100 nan 8.360 nan 0.000 0.491 492 N N -0.440 118.245 118.700 -0.025 0.000 2.636 492 N HA 0.095 4.835 4.740 -0.000 0.000 0.287 492 N C 0.266 175.798 175.510 0.036 0.000 1.817 492 N CA -0.043 53.041 53.050 0.056 0.000 0.842 492 N CB 0.034 38.599 38.487 0.131 0.000 1.353 492 N HN -0.080 nan 8.380 nan 0.000 0.500 493 M N 0.267 119.858 119.600 -0.016 0.000 2.103 493 M HA -0.150 4.330 4.480 -0.000 0.000 0.255 493 M C 0.184 176.297 176.300 -0.312 0.000 1.074 493 M CA 2.082 57.265 55.300 -0.195 0.000 1.090 493 M CB -0.351 32.071 32.600 -0.297 0.000 1.325 493 M HN 0.375 nan 8.290 nan 0.000 0.403 494 Y N -0.798 119.517 120.300 0.025 0.000 2.485 494 Y HA 0.466 5.016 4.550 -0.000 0.000 0.260 494 Y C 1.449 177.376 175.900 0.046 0.000 1.173 494 Y CA -0.043 58.076 58.100 0.031 0.000 1.252 494 Y CB -0.474 38.001 38.460 0.025 0.000 1.123 494 Y HN 0.421 nan 8.280 nan 0.000 0.524 495 G N 1.745 110.640 108.800 0.157 0.000 2.258 495 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.274 495 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.274 495 G C 0.877 175.872 174.900 0.158 0.000 1.021 495 G CA 0.837 46.020 45.100 0.138 0.000 0.798 495 G HN 0.598 nan 8.290 nan 0.000 0.507 496 N N -0.355 118.451 118.700 0.177 0.000 2.236 496 N HA 0.388 5.128 4.740 -0.000 0.000 0.196 496 N C 0.975 176.619 175.510 0.223 0.000 1.114 496 N CA 0.615 53.778 53.050 0.187 0.000 0.859 496 N CB 0.149 38.725 38.487 0.149 0.000 0.982 496 N HN 0.909 nan 8.380 nan 0.000 0.493 497 A N 1.038 123.968 122.820 0.183 0.000 2.488 497 A HA 0.452 4.772 4.320 -0.000 0.000 0.249 497 A C -0.493 177.273 177.584 0.302 0.000 1.083 497 A CA -0.250 51.881 52.037 0.157 0.000 0.768 497 A CB -0.493 18.582 19.000 0.126 0.000 1.017 497 A HN 0.473 nan 8.150 nan 0.000 0.496 498 F N 0.976 121.015 119.950 0.148 0.000 2.654 498 F HA 0.735 5.262 4.527 -0.000 0.000 0.308 498 F C -1.046 174.890 175.800 0.226 0.000 1.108 498 F CA -1.466 56.638 58.000 0.174 0.000 0.957 498 F CB 0.798 39.837 39.000 0.065 0.000 1.309 498 F HN 0.752 nan 8.300 nan 0.000 0.446 499 Y N -0.109 120.364 120.300 0.288 0.000 2.805 499 Y HA 0.819 5.369 4.550 -0.000 0.000 0.323 499 Y C -1.323 174.693 175.900 0.193 0.000 1.279 499 Y CA -1.753 56.434 58.100 0.146 0.000 1.103 499 Y CB 0.958 39.453 38.460 0.058 0.000 1.324 499 Y HN 0.814 nan 8.280 nan 0.000 0.498 500 S N 0.500 116.226 115.700 0.043 0.000 2.456 500 S HA 0.324 4.794 4.470 -0.000 0.000 0.316 500 S C -1.104 173.472 174.600 -0.040 0.000 1.089 500 S CA -0.580 57.572 58.200 -0.080 0.000 1.101 500 S CB 0.401 63.616 63.200 0.025 0.000 0.995 500 S HN 0.730 nan 8.310 nan 0.000 0.468 501 E N 3.848 123.937 120.200 -0.185 0.000 2.167 501 E HA 0.257 4.607 4.350 -0.000 0.000 0.284 501 E C -0.586 176.013 176.600 -0.002 0.000 1.016 501 E CA -0.473 55.938 56.400 0.018 0.000 0.817 501 E CB 0.569 30.263 29.700 -0.009 0.000 1.080 501 E HN 0.556 nan 8.360 nan 0.000 0.397 502 K N 3.575 123.990 120.400 0.024 0.000 2.263 502 K HA 0.230 4.550 4.320 -0.000 0.000 0.272 502 K C -1.226 175.371 176.600 -0.004 0.000 1.033 502 K CA -0.393 55.876 56.287 -0.029 0.000 0.884 502 K CB 1.186 33.638 32.500 -0.080 0.000 1.107 502 K HN 0.380 nan 8.250 nan 0.000 0.460 503 T N 3.350 117.898 114.554 -0.010 0.000 2.874 503 T HA 0.073 4.423 4.350 -0.000 0.000 0.321 503 T C -0.284 174.392 174.700 -0.040 0.000 1.075 503 T CA -0.473 61.652 62.100 0.042 0.000 0.966 503 T CB 0.880 69.824 68.868 0.127 0.000 1.001 503 T HN 0.660 nan 8.240 nan 0.000 0.476 504 T N 2.695 117.261 114.554 0.021 0.000 2.817 504 T HA 0.486 4.835 4.350 -0.000 0.000 0.293 504 T C -0.102 174.684 174.700 0.143 0.000 0.964 504 T CA -0.689 61.426 62.100 0.024 0.000 1.085 504 T CB -0.130 68.885 68.868 0.246 0.000 0.921 504 T HN 0.221 nan 8.240 nan 0.000 0.502 505 F N 3.982 124.058 119.950 0.209 0.000 2.506 505 F HA 0.385 4.912 4.527 -0.000 0.000 0.371 505 F C 1.358 177.224 175.800 0.110 0.000 1.078 505 F CA -0.993 57.095 58.000 0.146 0.000 1.195 505 F CB 0.526 39.611 39.000 0.142 0.000 1.099 505 F HN 0.702 nan 8.300 nan 0.000 0.548 506 K N 0.386 120.952 120.400 0.276 0.000 2.244 506 K HA 0.095 4.414 4.320 -0.000 0.000 0.200 506 K C 0.686 177.365 176.600 0.131 0.000 1.052 506 K CA 0.681 57.069 56.287 0.169 0.000 0.980 506 K CB 0.344 32.923 32.500 0.132 0.000 0.838 506 K HN 0.565 nan 8.250 nan 0.000 0.481 507 T N -0.618 114.007 114.554 0.119 0.000 2.916 507 T HA 0.179 4.529 4.350 -0.000 0.000 0.292 507 T C 1.079 175.799 174.700 0.033 0.000 1.055 507 T CA -0.704 61.437 62.100 0.068 0.000 1.009 507 T CB 1.939 70.837 68.868 0.050 0.000 1.118 507 T HN -0.275 nan 8.240 nan 0.000 0.497 508 V N 2.855 122.775 119.914 0.010 0.000 2.282 508 V HA -0.183 3.937 4.120 -0.000 0.000 0.249 508 V C 2.646 178.674 176.094 -0.110 0.000 1.057 508 V CA 2.046 64.326 62.300 -0.035 0.000 1.032 508 V CB -0.518 31.299 31.823 -0.011 0.000 0.645 508 V HN 0.831 nan 8.190 nan 0.000 0.447 509 K N -0.171 120.181 120.400 -0.079 0.000 2.113 509 K HA -0.269 4.051 4.320 -0.000 0.000 0.208 509 K C 1.790 178.294 176.600 -0.160 0.000 1.047 509 K CA 2.057 58.280 56.287 -0.107 0.000 0.928 509 K CB -0.281 32.189 32.500 -0.051 0.000 0.716 509 K HN 0.531 nan 8.250 nan 0.000 0.446 510 D N -0.093 120.230 120.400 -0.129 0.000 2.218 510 D HA -0.122 4.518 4.640 -0.000 0.000 0.204 510 D C 1.924 177.855 176.300 -0.616 0.000 0.976 510 D CA 1.478 55.388 54.000 -0.150 0.000 0.853 510 D CB -0.094 40.760 40.800 0.090 0.000 0.939 510 D HN 0.359 nan 8.370 nan 0.000 0.481 511 S N 0.263 115.440 115.700 -0.873 0.000 2.461 511 S HA -0.044 4.426 4.470 -0.000 0.000 0.228 511 S C 1.331 175.459 174.600 -0.787 0.000 1.005 511 S CA -0.076 57.212 58.200 -1.520 0.000 0.942 511 S CB -0.566 62.147 63.200 -0.812 0.000 0.776 511 S HN 0.180 nan 8.310 nan 0.000 0.514 512 L N 3.828 124.725 121.223 -0.543 0.000 2.574 512 L HA 0.215 4.555 4.340 -0.000 0.000 0.281 512 L C 0.411 177.098 176.870 -0.305 0.000 1.212 512 L CA -0.185 54.292 54.840 -0.605 0.000 1.082 512 L CB -1.174 40.332 42.059 -0.921 0.000 1.362 512 L HN 0.408 nan 8.230 nan 0.000 0.451 513 T N -1.383 113.165 114.554 -0.011 0.000 2.916 513 T HA 0.551 4.901 4.350 -0.000 0.000 0.292 513 T C -0.282 174.697 174.700 0.466 0.000 1.064 513 T CA -1.088 61.190 62.100 0.297 0.000 1.011 513 T CB 2.481 71.642 68.868 0.487 0.000 1.152 513 T HN 0.177 nan 8.240 nan 0.000 0.510 514 N N -0.155 118.836 118.700 0.485 0.000 2.362 514 N HA 0.369 5.109 4.740 -0.000 0.000 0.299 514 N C -1.349 174.535 175.510 0.623 0.000 1.170 514 N CA -0.641 52.707 53.050 0.498 0.000 0.825 514 N CB 1.395 40.061 38.487 0.299 0.000 1.299 514 N HN 0.766 nan 8.380 nan 0.000 0.502 515 Y N 0.952 121.603 120.300 0.585 0.000 2.480 515 Y HA 0.084 4.634 4.550 -0.000 0.000 0.338 515 Y C -0.266 175.768 175.900 0.224 0.000 1.220 515 Y CA 0.472 58.857 58.100 0.475 0.000 1.430 515 Y CB 0.571 39.322 38.460 0.484 0.000 1.311 515 Y HN 0.300 nan 8.280 nan 0.000 0.575 516 E N 3.314 123.004 120.200 -0.850 0.000 2.265 516 E HA 0.134 4.484 4.350 -0.000 0.000 0.262 516 E C 0.289 176.366 176.600 -0.871 0.000 0.889 516 E CA -0.009 56.028 56.400 -0.604 0.000 0.789 516 E CB 1.660 31.183 29.700 -0.295 0.000 1.221 516 E HN 0.784 nan 8.360 nan 0.000 0.414 517 S N 1.486 116.847 115.700 -0.565 0.000 2.423 517 S HA -0.132 4.338 4.470 -0.000 0.000 0.231 517 S C 1.843 176.335 174.600 -0.181 0.000 1.014 517 S CA 0.880 58.911 58.200 -0.281 0.000 0.965 517 S CB -0.054 63.136 63.200 -0.016 0.000 0.785 517 S HN 0.475 nan 8.310 nan 0.000 0.495 518 A N 1.896 124.615 122.820 -0.168 0.000 2.070 518 A HA -0.013 4.307 4.320 -0.000 0.000 0.220 518 A C 2.263 179.765 177.584 -0.137 0.000 1.159 518 A CA 1.786 53.751 52.037 -0.119 0.000 0.656 518 A CB -0.959 17.985 19.000 -0.093 0.000 0.800 518 A HN 0.787 nan 8.150 nan 0.000 0.453 519 T N -5.514 108.930 114.554 -0.183 0.000 3.091 519 T HA 0.434 4.784 4.350 -0.000 0.000 0.277 519 T C 1.094 175.690 174.700 -0.173 0.000 0.996 519 T CA 0.893 62.888 62.100 -0.175 0.000 0.897 519 T CB -0.034 68.728 68.868 -0.176 0.000 1.109 519 T HN 1.605 nan 8.240 nan 0.000 0.534 520 G N 2.842 111.544 108.800 -0.164 0.000 2.379 520 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.297 520 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.297 520 G C 0.085 174.969 174.900 -0.026 0.000 1.004 520 G CA 0.398 45.475 45.100 -0.039 0.000 0.921 520 G HN 0.955 nan 8.290 nan 0.000 0.511 521 R N 0.000 120.383 120.500 -0.194 0.000 2.638 521 R HA 0.331 4.671 4.340 -0.000 0.000 0.268 521 R C 0.763 176.923 176.300 -0.234 0.000 1.006 521 R CA 0.989 56.919 56.100 -0.283 0.000 1.088 521 R CB 0.215 30.226 30.300 -0.482 0.000 0.950 521 R HN 0.706 nan 8.270 nan 0.000 0.419 522 S N 3.587 119.047 115.700 -0.400 0.000 2.661 522 S HA 0.603 5.073 4.470 -0.000 0.000 0.285 522 S C -1.249 173.152 174.600 -0.331 0.000 1.138 522 S CA -1.055 57.008 58.200 -0.228 0.000 0.855 522 S CB 1.401 64.598 63.200 -0.005 0.000 1.136 522 S HN 0.634 nan 8.310 nan 0.000 0.484 523 W N 0.557 121.957 121.300 0.167 0.000 2.819 523 W HA 0.452 5.112 4.660 -0.000 0.000 0.337 523 W C -1.356 175.251 176.519 0.146 0.000 1.077 523 W CA -0.441 57.032 57.345 0.214 0.000 1.226 523 W CB 2.113 31.829 29.460 0.426 0.000 1.419 523 W HN 0.627 nan 8.180 nan 0.000 0.502 524 D N 2.021 122.647 120.400 0.377 0.000 2.248 524 D HA 0.511 5.151 4.640 -0.000 0.000 0.246 524 D C -0.452 176.104 176.300 0.427 0.000 1.027 524 D CA -0.371 53.821 54.000 0.320 0.000 0.853 524 D CB 2.213 43.148 40.800 0.225 0.000 1.243 524 D HN 0.091 nan 8.370 nan 0.000 0.462 525 I N 3.237 124.009 120.570 0.337 0.000 2.382 525 I HA 0.353 4.523 4.170 -0.000 0.000 0.285 525 I C -0.664 175.667 176.117 0.358 0.000 1.007 525 I CA -0.862 60.598 61.300 0.267 0.000 1.142 525 I CB 0.290 38.357 38.000 0.111 0.000 1.289 525 I HN 0.218 nan 8.210 nan 0.000 0.453 526 F N 3.487 123.518 119.950 0.135 0.000 2.664 526 F HA 0.541 5.068 4.527 -0.000 0.000 0.329 526 F C -0.661 175.198 175.800 0.098 0.000 1.090 526 F CA -1.526 56.547 58.000 0.121 0.000 0.978 526 F CB 1.258 40.310 39.000 0.085 0.000 1.378 526 F HN 0.261 nan 8.300 nan 0.000 0.495 527 N N 2.007 120.855 118.700 0.247 0.000 2.558 527 N HA 0.361 5.101 4.740 -0.000 0.000 0.242 527 N C -2.054 173.570 175.510 0.190 0.000 0.979 527 N CA -2.173 50.938 53.050 0.102 0.000 0.931 527 N CB 1.427 39.963 38.487 0.082 0.000 1.122 527 N HN 0.384 nan 8.380 nan 0.000 0.508 528 P HA -0.085 nan 4.420 nan 0.000 0.230 528 P C -0.124 177.241 177.300 0.109 0.000 1.158 528 P CA 0.894 64.124 63.100 0.217 0.000 0.769 528 P CB 0.292 32.089 31.700 0.162 0.000 0.807 529 N N -0.128 118.609 118.700 0.062 0.000 2.398 529 N HA 0.058 4.798 4.740 -0.000 0.000 0.188 529 N C 0.589 176.110 175.510 0.018 0.000 1.122 529 N CA 0.533 53.601 53.050 0.031 0.000 0.866 529 N CB 0.475 38.970 38.487 0.013 0.000 0.970 529 N HN 0.373 nan 8.380 nan 0.000 0.462 530 K N 0.177 120.591 120.400 0.024 0.000 2.433 530 K HA 0.653 4.973 4.320 -0.000 0.000 0.252 530 K C -1.005 175.591 176.600 -0.006 0.000 1.015 530 K CA -0.760 55.521 56.287 -0.009 0.000 0.860 530 K CB 2.952 35.427 32.500 -0.042 0.000 1.359 530 K HN -0.322 nan 8.250 nan 0.000 0.452 531 V N 0.937 120.830 119.914 -0.034 0.000 2.808 531 V HA 0.203 4.323 4.120 -0.000 0.000 0.308 531 V C -0.705 175.358 176.094 -0.051 0.000 1.099 531 V CA -1.188 61.092 62.300 -0.032 0.000 0.920 531 V CB 1.833 33.642 31.823 -0.023 0.000 1.014 531 V HN 0.765 nan 8.190 nan 0.000 0.425 532 N N 6.098 124.777 118.700 -0.034 0.000 2.452 532 N HA 0.136 4.876 4.740 -0.000 0.000 0.266 532 N C -1.358 174.134 175.510 -0.030 0.000 1.209 532 N CA -1.187 51.842 53.050 -0.034 0.000 0.929 532 N CB 1.997 40.522 38.487 0.063 0.000 1.063 532 N HN 0.425 nan 8.380 nan 0.000 0.472 533 P HA -0.125 nan 4.420 nan 0.000 0.225 533 P C 0.389 177.732 177.300 0.071 0.000 1.148 533 P CA 1.216 64.268 63.100 -0.079 0.000 0.779 533 P CB 0.173 31.756 31.700 -0.194 0.000 0.780 534 Y N 0.846 121.155 120.300 0.015 0.000 2.284 534 Y HA 0.014 4.564 4.550 -0.000 0.000 0.293 534 Y C 2.900 178.818 175.900 0.029 0.000 1.140 534 Y CA 0.934 59.045 58.100 0.018 0.000 1.153 534 Y CB -1.243 37.228 38.460 0.019 0.000 1.114 534 Y HN 0.043 nan 8.280 nan 0.000 0.521 535 S N -1.047 114.800 115.700 0.245 0.000 2.470 535 S HA 0.191 4.661 4.470 -0.000 0.000 0.225 535 S C 1.885 176.529 174.600 0.072 0.000 1.006 535 S CA 0.693 58.999 58.200 0.178 0.000 0.934 535 S CB -0.362 63.041 63.200 0.338 0.000 0.778 535 S HN 0.636 nan 8.310 nan 0.000 0.517 536 G N 1.085 109.917 108.800 0.053 0.000 2.162 536 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.260 536 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.260 536 G C -0.028 174.835 174.900 -0.061 0.000 0.976 536 G CA 0.418 45.517 45.100 -0.002 0.000 0.655 536 G HN 0.518 nan 8.290 nan 0.000 0.533 537 K N 0.674 121.005 120.400 -0.114 0.000 2.123 537 K HA 0.566 4.886 4.320 -0.000 0.000 0.248 537 K C -2.324 174.191 176.600 -0.143 0.000 0.969 537 K CA -2.214 53.922 56.287 -0.252 0.000 0.882 537 K CB 1.687 33.768 32.500 -0.699 0.000 1.080 537 K HN 0.134 nan 8.250 nan 0.000 0.441 538 P HA 0.184 nan 4.420 nan 0.000 0.274 538 P C -2.526 174.810 177.300 0.059 0.000 1.231 538 P CA -1.486 61.617 63.100 0.005 0.000 0.790 538 P CB -0.075 31.696 31.700 0.118 0.000 0.951 539 P HA 0.054 nan 4.420 nan 0.000 0.271 539 P C -0.283 177.191 177.300 0.290 0.000 1.216 539 P CA 0.397 63.564 63.100 0.111 0.000 0.776 539 P CB 0.579 32.202 31.700 -0.128 0.000 0.881 540 S N 1.754 117.670 115.700 0.359 0.000 2.615 540 S HA 0.577 5.047 4.470 -0.000 0.000 0.269 540 S C -1.839 172.909 174.600 0.246 0.000 1.161 540 S CA -0.669 57.747 58.200 0.359 0.000 0.817 540 S CB 1.093 64.467 63.200 0.289 0.000 1.131 540 S HN 0.288 nan 8.310 nan 0.000 0.467 541 Y N 0.913 121.280 120.300 0.112 0.000 2.350 541 Y HA 0.587 5.137 4.550 -0.000 0.000 0.338 541 Y C 0.034 175.983 175.900 0.082 0.000 0.961 541 Y CA -0.504 57.617 58.100 0.035 0.000 1.100 541 Y CB 1.953 40.409 38.460 -0.007 0.000 1.179 541 Y HN 0.857 nan 8.280 nan 0.000 0.454 542 K N 4.315 124.764 120.400 0.082 0.000 2.183 542 K HA 0.463 4.783 4.320 -0.000 0.000 0.274 542 K C -1.374 175.280 176.600 0.090 0.000 1.009 542 K CA -0.890 55.458 56.287 0.102 0.000 0.888 542 K CB 0.891 33.429 32.500 0.064 0.000 1.078 542 K HN 0.628 nan 8.250 nan 0.000 0.459 543 L N 5.798 127.086 121.223 0.109 0.000 2.283 543 L HA 0.241 4.581 4.340 -0.000 0.000 0.287 543 L C -1.300 175.652 176.870 0.136 0.000 1.073 543 L CA -0.031 54.843 54.840 0.056 0.000 0.822 543 L CB 1.145 43.200 42.059 -0.007 0.000 1.186 543 L HN 0.371 nan 8.230 nan 0.000 0.436 544 V N 4.972 124.918 119.914 0.052 0.000 2.257 544 V HA 0.461 4.581 4.120 -0.000 0.000 0.269 544 V C 0.084 176.184 176.094 0.010 0.000 1.040 544 V CA -0.212 62.120 62.300 0.053 0.000 0.813 544 V CB 0.614 32.449 31.823 0.020 0.000 1.065 544 V HN 0.845 nan 8.190 nan 0.000 0.457 545 S N 2.672 118.406 115.700 0.057 0.000 2.594 545 S HA 0.521 4.991 4.470 -0.000 0.000 0.296 545 S C 0.485 175.020 174.600 -0.108 0.000 1.124 545 S CA -0.223 57.994 58.200 0.028 0.000 1.011 545 S CB 2.108 65.388 63.200 0.134 0.000 1.016 545 S HN 0.640 nan 8.310 nan 0.000 0.485 546 T N 3.175 117.614 114.554 -0.193 0.000 2.955 546 T HA 0.224 4.574 4.350 -0.000 0.000 0.251 546 T C 0.188 174.765 174.700 -0.205 0.000 1.002 546 T CA 0.296 62.117 62.100 -0.465 0.000 0.970 546 T CB 0.114 68.809 68.868 -0.290 0.000 1.091 546 T HN 0.659 nan 8.240 nan 0.000 0.495 547 Q N 1.266 121.072 119.800 0.009 0.000 2.844 547 Q HA 0.270 4.610 4.340 -0.000 0.000 0.235 547 Q C -0.923 175.203 176.000 0.209 0.000 1.336 547 Q CA -0.277 55.597 55.803 0.119 0.000 1.026 547 Q CB -0.282 28.547 28.738 0.151 0.000 1.513 547 Q HN 0.329 nan 8.270 nan 0.000 0.577 548 C N 2.937 122.355 119.300 0.198 0.000 2.621 548 C HA 0.363 4.823 4.460 -0.000 0.000 0.272 548 C C -2.082 173.051 174.990 0.239 0.000 1.119 548 C CA -1.964 57.212 59.018 0.263 0.000 1.593 548 C CB -0.667 27.305 27.740 0.386 0.000 1.749 548 C HN 0.543 nan 8.230 nan 0.000 0.420 549 P HA 0.239 nan 4.420 nan 0.000 0.271 549 P C -2.181 175.179 177.300 0.100 0.000 1.216 549 P CA -0.583 62.594 63.100 0.129 0.000 0.776 549 P CB 0.154 31.906 31.700 0.086 0.000 0.881 550 P HA 0.125 nan 4.420 nan 0.000 0.277 550 P C -0.720 176.573 177.300 -0.012 0.000 1.240 550 P CA -0.470 62.654 63.100 0.041 0.000 0.798 550 P CB 0.641 32.369 31.700 0.045 0.000 0.979 551 L N 3.152 124.333 121.223 -0.070 0.000 2.456 551 L HA 0.039 4.379 4.340 -0.000 0.000 0.277 551 L C 1.196 178.010 176.870 -0.093 0.000 1.124 551 L CA 0.388 55.158 54.840 -0.117 0.000 0.880 551 L CB -0.674 41.269 42.059 -0.193 0.000 1.192 551 L HN 0.331 nan 8.230 nan 0.000 0.463 552 L N 4.758 125.938 121.223 -0.073 0.000 2.156 552 L HA 0.071 4.411 4.340 -0.000 0.000 0.208 552 L C 1.487 178.310 176.870 -0.077 0.000 1.095 552 L CA 0.552 55.364 54.840 -0.047 0.000 0.770 552 L CB -0.546 41.506 42.059 -0.012 0.000 0.914 552 L HN 0.838 nan 8.230 nan 0.000 0.439 553 A N 0.917 123.666 122.820 -0.118 0.000 2.531 553 A HA 0.098 4.418 4.320 -0.000 0.000 0.236 553 A C 0.281 177.781 177.584 -0.141 0.000 1.062 553 A CA 0.053 52.003 52.037 -0.145 0.000 0.760 553 A CB 0.002 18.887 19.000 -0.192 0.000 0.995 553 A HN 0.191 nan 8.150 nan 0.000 0.501 554 K N 1.298 121.620 120.400 -0.130 0.000 2.180 554 K HA 0.153 4.473 4.320 -0.000 0.000 0.251 554 K C 0.203 176.721 176.600 -0.136 0.000 1.014 554 K CA -0.283 55.934 56.287 -0.116 0.000 0.913 554 K CB 0.487 32.930 32.500 -0.095 0.000 1.008 554 K HN 0.762 nan 8.250 nan 0.000 0.490 555 E N 0.148 120.277 120.200 -0.119 0.000 2.452 555 E HA -0.063 4.287 4.350 -0.000 0.000 0.261 555 E C 0.745 177.269 176.600 -0.127 0.000 0.987 555 E CA 1.040 57.365 56.400 -0.125 0.000 0.926 555 E CB 0.538 30.179 29.700 -0.098 0.000 0.934 555 E HN 0.860 nan 8.360 nan 0.000 0.452 556 G N 2.756 111.468 108.800 -0.148 0.000 2.176 556 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.253 556 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.253 556 G C 0.389 175.186 174.900 -0.172 0.000 0.979 556 G CA 0.490 45.501 45.100 -0.149 0.000 0.641 556 G HN 0.669 nan 8.290 nan 0.000 0.530 557 S N -0.208 115.379 115.700 -0.187 0.000 2.614 557 S HA 0.639 5.109 4.470 -0.000 0.000 0.265 557 S C 1.652 176.090 174.600 -0.270 0.000 1.303 557 S CA -0.077 57.998 58.200 -0.208 0.000 1.000 557 S CB 1.508 64.582 63.200 -0.210 0.000 0.935 557 S HN 0.390 nan 8.310 nan 0.000 0.551 558 L N 1.358 122.408 121.223 -0.289 0.000 2.013 558 L HA -0.137 4.203 4.340 -0.000 0.000 0.212 558 L C 2.652 179.243 176.870 -0.465 0.000 1.073 558 L CA 1.407 56.029 54.840 -0.363 0.000 0.753 558 L CB -0.733 41.121 42.059 -0.342 0.000 0.890 558 L HN 0.672 nan 8.230 nan 0.000 0.432 559 V N -0.083 119.525 119.914 -0.510 0.000 2.255 559 V HA -0.346 3.774 4.120 -0.000 0.000 0.247 559 V C 2.698 178.567 176.094 -0.376 0.000 1.051 559 V CA 1.997 64.016 62.300 -0.469 0.000 1.018 559 V CB -0.950 30.643 31.823 -0.382 0.000 0.641 559 V HN 0.538 nan 8.190 nan 0.000 0.445 560 A N -0.485 122.134 122.820 -0.336 0.000 1.933 560 A HA -0.202 4.117 4.320 -0.000 0.000 0.218 560 A C 2.282 179.669 177.584 -0.327 0.000 1.175 560 A CA 1.758 53.604 52.037 -0.319 0.000 0.628 560 A CB -0.369 18.476 19.000 -0.257 0.000 0.814 560 A HN 0.569 nan 8.150 nan 0.000 0.444 561 K N -0.588 119.601 120.400 -0.352 0.000 2.103 561 K HA -0.049 4.271 4.320 -0.000 0.000 0.204 561 K C 2.069 178.357 176.600 -0.520 0.000 1.052 561 K CA 1.156 57.198 56.287 -0.408 0.000 0.945 561 K CB -0.151 32.072 32.500 -0.461 0.000 0.722 561 K HN 0.394 nan 8.250 nan 0.000 0.443 562 R N 0.326 120.529 120.500 -0.496 0.000 2.236 562 R HA 0.061 4.401 4.340 -0.000 0.000 0.208 562 R C 0.707 176.954 176.300 -0.088 0.000 1.036 562 R CA 0.589 56.453 56.100 -0.393 0.000 1.001 562 R CB 0.271 30.437 30.300 -0.224 0.000 0.896 562 R HN 0.010 nan 8.270 nan 0.000 0.464 563 A N 1.570 124.229 122.820 -0.268 0.000 3.218 563 A HA 0.279 4.599 4.320 -0.000 0.000 0.321 563 A C -1.931 175.224 177.584 -0.714 0.000 1.012 563 A CA -1.234 50.488 52.037 -0.525 0.000 0.948 563 A CB 0.449 18.973 19.000 -0.793 0.000 1.050 563 A HN -0.062 nan 8.150 nan 0.000 0.492 564 P HA -0.194 nan 4.420 nan 0.000 0.218 564 P C 1.310 178.492 177.300 -0.197 0.000 1.146 564 P CA 1.255 64.222 63.100 -0.221 0.000 0.813 564 P CB -0.217 31.435 31.700 -0.079 0.000 0.778 565 W N -0.148 121.098 121.300 -0.090 0.000 2.584 565 W HA 0.292 4.952 4.660 -0.000 0.000 0.264 565 W C 1.598 178.107 176.519 -0.015 0.000 1.264 565 W CA 0.541 57.848 57.345 -0.063 0.000 1.306 565 W CB -1.647 27.759 29.460 -0.090 0.000 1.110 565 W HN -0.085 nan 8.180 nan 0.000 0.606 566 A N 1.322 123.627 122.820 -0.858 0.000 2.168 566 A HA -0.058 4.262 4.320 -0.000 0.000 0.215 566 A C 2.090 179.483 177.584 -0.318 0.000 1.152 566 A CA 1.539 53.164 52.037 -0.686 0.000 0.716 566 A CB -0.748 17.562 19.000 -1.150 0.000 0.794 566 A HN 0.229 nan 8.150 nan 0.000 0.465 567 S N -0.617 114.905 115.700 -0.297 0.000 2.423 567 S HA -0.028 4.442 4.470 -0.000 0.000 0.231 567 S C 0.381 174.707 174.600 -0.455 0.000 1.014 567 S CA 0.827 58.819 58.200 -0.347 0.000 0.965 567 S CB -0.255 62.726 63.200 -0.365 0.000 0.785 567 S HN 0.799 nan 8.310 nan 0.000 0.495 568 H N -1.009 118.056 119.070 -0.009 0.000 2.679 568 H HA 0.445 5.001 4.556 -0.000 0.000 0.367 568 H C 0.753 176.132 175.328 0.084 0.000 1.162 568 H CA -0.471 55.604 56.048 0.044 0.000 1.181 568 H CB 1.442 31.216 29.762 0.020 0.000 1.693 568 H HN -0.114 nan 8.280 nan 0.000 0.538 569 S N 0.485 116.336 115.700 0.253 0.000 2.406 569 S HA 0.022 4.492 4.470 -0.000 0.000 0.228 569 S C 0.435 175.098 174.600 0.106 0.000 1.020 569 S CA 0.569 58.893 58.200 0.207 0.000 0.965 569 S CB 0.332 63.758 63.200 0.377 0.000 0.798 569 S HN 0.243 nan 8.310 nan 0.000 0.488 570 V N 2.520 122.432 119.914 -0.004 0.000 2.709 570 V HA 0.450 4.570 4.120 -0.000 0.000 0.308 570 V C -1.015 174.953 176.094 -0.209 0.000 1.062 570 V CA -0.948 61.189 62.300 -0.272 0.000 0.901 570 V CB 2.052 33.450 31.823 -0.707 0.000 1.003 570 V HN 0.254 nan 8.190 nan 0.000 0.425 571 N N 2.828 121.383 118.700 -0.241 0.000 2.480 571 N HA 0.524 5.264 4.740 -0.000 0.000 0.289 571 N C -1.545 173.882 175.510 -0.138 0.000 1.073 571 N CA -0.286 52.684 53.050 -0.133 0.000 0.885 571 N CB 2.697 41.211 38.487 0.046 0.000 1.421 571 N HN 0.340 nan 8.380 nan 0.000 0.503 572 V N 2.233 122.060 119.914 -0.145 0.000 2.444 572 V HA 0.487 4.607 4.120 -0.000 0.000 0.294 572 V C 0.274 176.406 176.094 0.063 0.000 1.022 572 V CA -0.741 61.547 62.300 -0.020 0.000 0.850 572 V CB 1.561 33.394 31.823 0.017 0.000 0.992 572 V HN 0.469 nan 8.190 nan 0.000 0.426 573 V N 3.472 123.468 119.914 0.137 0.000 3.126 573 V HA 0.793 4.913 4.120 -0.000 0.000 0.314 573 V C -2.891 173.249 176.094 0.076 0.000 1.138 573 V CA -3.101 59.262 62.300 0.105 0.000 1.034 573 V CB 2.125 34.031 31.823 0.139 0.000 1.075 573 V HN 0.607 nan 8.190 nan 0.000 0.442 574 P HA 0.201 nan 4.420 nan 0.000 0.271 574 P C -1.237 176.048 177.300 -0.025 0.000 1.218 574 P CA 0.163 63.281 63.100 0.030 0.000 0.780 574 P CB 0.079 31.788 31.700 0.015 0.000 0.901 575 Y N 3.063 123.323 120.300 -0.068 0.000 2.397 575 Y HA 0.360 4.909 4.550 -0.000 0.000 0.335 575 Y C 0.109 175.929 175.900 -0.132 0.000 1.213 575 Y CA 0.596 58.628 58.100 -0.112 0.000 1.391 575 Y CB 0.630 39.040 38.460 -0.084 0.000 1.293 575 Y HN 0.223 nan 8.280 nan 0.000 0.557 576 K N 3.727 123.402 120.400 -1.208 0.000 2.542 576 K HA 0.235 4.555 4.320 -0.000 0.000 0.259 576 K C -1.769 174.182 176.600 -1.082 0.000 0.932 576 K CA -0.673 55.155 56.287 -0.766 0.000 0.820 576 K CB 1.262 33.472 32.500 -0.483 0.000 1.345 576 K HN 0.626 nan 8.250 nan 0.000 0.432 577 D N 2.150 122.267 120.400 -0.472 0.000 2.443 577 D HA -0.013 4.627 4.640 -0.000 0.000 0.239 577 D C 0.204 176.321 176.300 -0.305 0.000 1.136 577 D CA 0.931 54.778 54.000 -0.256 0.000 0.879 577 D CB 0.522 41.313 40.800 -0.015 0.000 1.195 577 D HN 0.681 nan 8.370 nan 0.000 0.443 578 N N 1.409 119.946 118.700 -0.271 0.000 2.776 578 N HA -0.209 4.531 4.740 -0.000 0.000 0.249 578 N C -0.692 174.608 175.510 -0.349 0.000 1.111 578 N CA 0.216 53.099 53.050 -0.278 0.000 0.711 578 N CB -0.318 38.045 38.487 -0.206 0.000 1.065 578 N HN 0.354 nan 8.380 nan 0.000 0.556 579 R N 1.075 121.268 120.500 -0.513 0.000 2.755 579 R HA 0.279 4.619 4.340 -0.000 0.000 0.268 579 R C 1.145 177.138 176.300 -0.512 0.000 1.295 579 R CA -0.238 55.435 56.100 -0.712 0.000 1.379 579 R CB 0.461 29.993 30.300 -1.279 0.000 1.170 579 R HN 0.267 nan 8.270 nan 0.000 0.584 580 L N 0.795 121.791 121.223 -0.378 0.000 2.435 580 L HA 0.213 4.553 4.340 -0.000 0.000 0.195 580 L C -0.111 176.619 176.870 -0.234 0.000 1.072 580 L CA 0.345 54.880 54.840 -0.508 0.000 0.833 580 L CB 0.091 41.419 42.059 -1.220 0.000 1.081 580 L HN 0.343 nan 8.230 nan 0.000 0.485 581 Y N 1.739 122.173 120.300 0.224 0.000 2.518 581 Y HA 0.249 4.799 4.550 -0.000 0.000 0.344 581 Y C -1.495 174.419 175.900 0.024 0.000 0.982 581 Y CA -3.569 54.587 58.100 0.092 0.000 1.234 581 Y CB -0.344 38.082 38.460 -0.057 0.000 1.114 581 Y HN -0.022 nan 8.280 nan 0.000 0.515 582 P HA -0.145 nan 4.420 nan 0.000 0.220 582 P C 0.566 177.752 177.300 -0.191 0.000 1.144 582 P CA 1.271 64.129 63.100 -0.402 0.000 0.800 582 P CB 0.481 31.887 31.700 -0.489 0.000 0.772 583 S N -0.943 114.764 115.700 0.012 0.000 2.575 583 S HA 0.480 4.950 4.470 -0.000 0.000 0.237 583 S C 0.813 175.347 174.600 -0.110 0.000 0.975 583 S CA 0.259 58.549 58.200 0.151 0.000 0.960 583 S CB -0.066 63.349 63.200 0.358 0.000 0.822 583 S HN 0.543 nan 8.310 nan 0.000 0.472 584 G N 1.408 110.064 108.800 -0.240 0.000 2.662 584 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.686 584 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.686 584 G C -0.402 174.400 174.900 -0.164 0.000 1.271 584 G CA -0.465 44.441 45.100 -0.324 0.000 0.816 584 G HN 0.194 nan 8.290 nan 0.000 0.608 585 D N -0.081 120.193 120.400 -0.210 0.000 2.183 585 D HA 0.023 4.662 4.640 -0.000 0.000 0.203 585 D C 0.754 176.727 176.300 -0.545 0.000 0.969 585 D CA 1.372 55.192 54.000 -0.300 0.000 0.842 585 D CB 0.011 40.577 40.800 -0.391 0.000 0.957 585 D HN 0.487 nan 8.370 nan 0.000 0.484 586 H N 0.403 119.445 119.070 -0.048 0.000 2.786 586 H HA 0.240 4.795 4.556 -0.000 0.000 0.284 586 H C 1.060 176.371 175.328 -0.029 0.000 1.104 586 H CA -0.321 55.713 56.048 -0.023 0.000 1.339 586 H CB 1.453 31.211 29.762 -0.007 0.000 1.427 586 H HN -0.210 nan 8.280 nan 0.000 0.497 587 V N 3.761 123.711 119.914 0.059 0.000 2.346 587 V HA -0.048 4.072 4.120 -0.000 0.000 0.244 587 V C -1.543 174.652 176.094 0.167 0.000 1.037 587 V CA 0.689 63.054 62.300 0.109 0.000 1.029 587 V CB -1.070 30.778 31.823 0.042 0.000 0.663 587 V HN 0.463 nan 8.190 nan 0.000 0.454 588 P HA -0.001 nan 4.420 nan 0.000 0.261 588 P C 0.323 177.737 177.300 0.190 0.000 1.173 588 P CA 0.845 64.006 63.100 0.102 0.000 0.760 588 P CB 0.013 31.744 31.700 0.050 0.000 0.783 589 Q N -1.853 118.085 119.800 0.230 0.000 2.348 589 Q HA -0.239 4.101 4.340 -0.000 0.000 0.221 589 Q C -0.266 175.992 176.000 0.430 0.000 0.735 589 Q CA 0.585 56.593 55.803 0.340 0.000 1.351 589 Q CB -1.736 27.149 28.738 0.245 0.000 1.640 589 Q HN 0.549 nan 8.270 nan 0.000 0.667 590 W N 1.704 123.072 121.300 0.114 0.000 2.266 590 W HA 0.304 4.964 4.660 -0.000 0.000 0.317 590 W C 1.242 177.630 176.519 -0.219 0.000 1.310 590 W CA -0.079 57.266 57.345 0.001 0.000 1.207 590 W CB 0.581 30.029 29.460 -0.020 0.000 1.199 590 W HN 0.104 nan 8.180 nan 0.000 0.544 591 S N 3.521 118.764 115.700 -0.762 0.000 2.481 591 S HA 0.122 4.592 4.470 -0.000 0.000 0.231 591 S C 1.577 175.349 174.600 -1.381 0.000 0.996 591 S CA 0.871 58.213 58.200 -1.430 0.000 0.942 591 S CB -0.379 62.269 63.200 -0.919 0.000 0.768 591 S HN 1.718 nan 8.310 nan 0.000 0.520 592 G N 0.563 108.022 108.800 -2.235 0.000 2.194 592 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.236 592 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.236 592 G C -0.412 173.875 174.900 -1.020 0.000 0.987 592 G CA 0.090 43.939 45.100 -2.085 0.000 0.635 592 G HN 0.565 nan 8.290 nan 0.000 0.520 593 D N 1.157 121.198 120.400 -0.598 0.000 2.256 593 D HA 0.555 5.195 4.640 -0.000 0.000 0.250 593 D C 0.745 177.188 176.300 0.238 0.000 1.093 593 D CA 1.472 55.398 54.000 -0.124 0.000 0.882 593 D CB 1.348 42.084 40.800 -0.107 0.000 1.185 593 D HN 1.398 nan 8.370 nan 0.000 0.437 594 G N 0.055 108.966 108.800 0.186 0.000 2.484 594 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.685 594 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.685 594 G C -0.962 174.031 174.900 0.156 0.000 1.294 594 G CA -0.997 44.220 45.100 0.195 0.000 0.879 594 G HN 0.348 nan 8.290 nan 0.000 0.646 595 V N 2.432 122.374 119.914 0.047 0.000 2.322 595 V HA 0.661 4.781 4.120 -0.000 0.000 0.258 595 V C 0.804 176.842 176.094 -0.094 0.000 1.074 595 V CA 0.672 62.965 62.300 -0.013 0.000 0.909 595 V CB -0.219 31.595 31.823 -0.016 0.000 1.090 595 V HN 1.068 nan 8.190 nan 0.000 0.486 596 R N 2.883 123.276 120.500 -0.178 0.000 2.766 596 R HA 0.818 5.158 4.340 -0.000 0.000 0.270 596 R C 0.452 176.447 176.300 -0.507 0.000 1.035 596 R CA -0.186 55.710 56.100 -0.340 0.000 0.911 596 R CB 0.986 30.992 30.300 -0.489 0.000 1.243 596 R HN 0.820 nan 8.270 nan 0.000 0.460 597 G N 1.023 109.421 108.800 -0.670 0.000 2.581 597 G HA2 -0.436 3.524 3.960 -0.000 0.000 0.291 597 G HA3 -0.436 3.524 3.960 -0.000 0.000 0.291 597 G C 0.565 174.376 174.900 -1.815 0.000 1.277 597 G CA 0.920 45.353 45.100 -1.112 0.000 0.959 597 G HN 0.800 nan 8.290 nan 0.000 0.554 598 M N 0.262 119.018 119.600 -1.406 0.000 2.144 598 M HA -0.031 4.449 4.480 -0.000 0.000 0.260 598 M C 2.448 178.464 176.300 -0.473 0.000 1.067 598 M CA 2.833 57.583 55.300 -0.916 0.000 1.095 598 M CB -0.420 31.953 32.600 -0.378 0.000 1.365 598 M HN 0.619 nan 8.290 nan 0.000 0.406 599 R N -0.407 119.886 120.500 -0.345 0.000 2.096 599 R HA -0.196 4.144 4.340 -0.000 0.000 0.235 599 R C 2.234 178.434 176.300 -0.165 0.000 1.127 599 R CA 1.958 57.956 56.100 -0.170 0.000 0.968 599 R CB -0.348 29.908 30.300 -0.072 0.000 0.861 599 R HN 0.656 nan 8.270 nan 0.000 0.440 600 E N -0.515 119.516 120.200 -0.282 0.000 2.072 600 E HA -0.169 4.181 4.350 -0.000 0.000 0.190 600 E C 1.431 178.048 176.600 0.028 0.000 0.982 600 E CA 1.016 57.331 56.400 -0.140 0.000 0.803 600 E CB -0.056 29.549 29.700 -0.157 0.000 0.755 600 E HN 0.405 nan 8.360 nan 0.000 0.453 601 W N 0.729 121.978 121.300 -0.085 0.000 2.363 601 W HA -0.065 4.595 4.660 -0.000 0.000 0.296 601 W C 2.096 178.575 176.519 -0.066 0.000 1.212 601 W CA 0.262 57.555 57.345 -0.086 0.000 1.260 601 W CB -0.922 28.464 29.460 -0.123 0.000 1.131 601 W HN 0.153 nan 8.180 nan 0.000 0.530 602 I N 0.061 120.703 120.570 0.121 0.000 2.315 602 I HA -0.105 4.065 4.170 -0.000 0.000 0.248 602 I C 2.152 178.288 176.117 0.032 0.000 1.117 602 I CA 1.364 62.693 61.300 0.048 0.000 1.404 602 I CB -1.120 36.876 38.000 -0.007 0.000 1.071 602 I HN 0.083 nan 8.210 nan 0.000 0.419 603 G N 2.386 111.202 108.800 0.025 0.000 2.634 603 G HA2 -0.424 3.536 3.960 -0.000 0.000 0.309 603 G HA3 -0.424 3.536 3.960 -0.000 0.000 0.309 603 G C 0.443 175.347 174.900 0.006 0.000 1.265 603 G CA 0.731 45.842 45.100 0.018 0.000 0.998 603 G HN 0.545 nan 8.290 nan 0.000 0.551 604 D N 1.204 121.610 120.400 0.008 0.000 2.325 604 D HA 0.388 5.028 4.640 -0.000 0.000 0.225 604 D C 1.762 178.062 176.300 0.000 0.000 1.096 604 D CA 1.026 55.028 54.000 0.003 0.000 0.844 604 D CB -0.477 40.327 40.800 0.006 0.000 0.925 604 D HN 2.138 nan 8.370 nan 0.000 0.513 605 G N 0.482 109.282 108.800 -0.000 0.000 2.166 605 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.260 605 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.260 605 G C 1.082 175.982 174.900 0.000 0.000 0.986 605 G CA 0.951 46.045 45.100 -0.009 0.000 0.683 605 G HN 0.719 nan 8.290 nan 0.000 0.527 606 S N -0.896 114.810 115.700 0.011 0.000 2.524 606 S HA 0.305 4.775 4.470 -0.000 0.000 0.216 606 S C 0.674 175.289 174.600 0.025 0.000 0.987 606 S CA 0.637 58.848 58.200 0.018 0.000 0.909 606 S CB 0.407 63.617 63.200 0.018 0.000 0.781 606 S HN 0.621 nan 8.310 nan 0.000 0.521 607 E N 2.344 122.560 120.200 0.027 0.000 2.415 607 E HA 0.151 4.501 4.350 -0.000 0.000 0.262 607 E C -0.247 176.378 176.600 0.040 0.000 1.038 607 E CA -0.299 56.120 56.400 0.032 0.000 0.921 607 E CB 0.238 29.958 29.700 0.033 0.000 0.950 607 E HN 0.425 nan 8.360 nan 0.000 0.438 608 N N 2.165 120.890 118.700 0.043 0.000 2.520 608 N HA 0.061 4.801 4.740 -0.000 0.000 0.273 608 N C -0.082 175.464 175.510 0.059 0.000 1.155 608 N CA 0.096 53.177 53.050 0.052 0.000 0.967 608 N CB 0.427 38.941 38.487 0.045 0.000 1.092 608 N HN 0.543 nan 8.380 nan 0.000 0.457 609 I N -1.764 118.853 120.570 0.077 0.000 3.994 609 I HA 0.418 4.588 4.170 -0.000 0.000 0.323 609 I C -0.475 175.692 176.117 0.083 0.000 1.501 609 I CA -0.528 60.826 61.300 0.089 0.000 1.112 609 I CB 0.277 38.349 38.000 0.120 0.000 1.254 609 I HN 0.264 nan 8.210 nan 0.000 0.495 610 D N 2.525 122.965 120.400 0.067 0.000 2.329 610 D HA 0.204 4.844 4.640 -0.000 0.000 0.232 610 D C 0.277 176.582 176.300 0.008 0.000 1.088 610 D CA 0.007 54.031 54.000 0.040 0.000 0.835 610 D CB 0.635 41.478 40.800 0.071 0.000 1.078 610 D HN 0.249 nan 8.370 nan 0.000 0.495 611 N N 2.573 121.247 118.700 -0.043 0.000 2.681 611 N HA -0.221 4.519 4.740 -0.000 0.000 0.259 611 N C -1.396 174.105 175.510 -0.014 0.000 1.066 611 N CA 1.330 54.356 53.050 -0.041 0.000 0.717 611 N CB -0.965 37.515 38.487 -0.011 0.000 0.885 611 N HN 0.551 nan 8.380 nan 0.000 0.547 612 T N -0.643 113.904 114.554 -0.012 0.000 2.637 612 T HA 0.327 4.677 4.350 -0.000 0.000 0.303 612 T C -1.908 172.796 174.700 0.007 0.000 1.288 612 T CA -0.503 61.599 62.100 0.005 0.000 1.040 612 T CB 0.632 69.514 68.868 0.024 0.000 1.644 612 T HN 0.056 nan 8.240 nan 0.000 0.480 613 D N 2.310 122.723 120.400 0.022 0.000 2.313 613 D HA 0.494 5.134 4.640 -0.000 0.000 0.239 613 D C 0.154 176.515 176.300 0.102 0.000 1.142 613 D CA -0.036 53.980 54.000 0.026 0.000 0.847 613 D CB 0.432 41.231 40.800 -0.002 0.000 1.082 613 D HN 0.632 nan 8.370 nan 0.000 0.480 614 I N -1.717 118.914 120.570 0.103 0.000 3.067 614 I HA 0.614 4.784 4.170 -0.000 0.000 0.312 614 I C -1.122 175.095 176.117 0.167 0.000 1.073 614 I CA -1.142 60.242 61.300 0.139 0.000 1.016 614 I CB 1.937 40.020 38.000 0.138 0.000 1.227 614 I HN 0.006 nan 8.210 nan 0.000 0.456 615 L N 2.683 124.006 121.223 0.167 0.000 2.381 615 L HA 0.474 4.813 4.340 -0.000 0.000 0.274 615 L C -1.485 175.513 176.870 0.214 0.000 0.988 615 L CA -0.455 54.463 54.840 0.130 0.000 0.824 615 L CB 2.331 44.458 42.059 0.115 0.000 1.263 615 L HN 0.526 nan 8.230 nan 0.000 0.410 616 F N 3.851 123.764 119.950 -0.062 0.000 2.347 616 F HA 0.525 5.052 4.527 -0.000 0.000 0.366 616 F C -0.988 174.764 175.800 -0.081 0.000 1.107 616 F CA -0.668 57.342 58.000 0.017 0.000 1.058 616 F CB 0.664 39.660 39.000 -0.007 0.000 1.236 616 F HN 0.112 nan 8.300 nan 0.000 0.456 617 F N 5.351 125.352 119.950 0.086 0.000 2.388 617 F HA 0.272 4.799 4.527 -0.000 0.000 0.358 617 F C -0.154 175.748 175.800 0.170 0.000 1.122 617 F CA -0.682 57.412 58.000 0.156 0.000 1.056 617 F CB 0.666 39.745 39.000 0.131 0.000 1.155 617 F HN 0.422 nan 8.300 nan 0.000 0.461 618 H N 1.625 120.888 119.070 0.322 0.000 2.476 618 H HA 0.456 5.012 4.556 -0.000 0.000 0.328 618 H C -0.757 174.810 175.328 0.399 0.000 1.073 618 H CA -0.520 55.691 56.048 0.272 0.000 1.229 618 H CB 1.141 31.059 29.762 0.260 0.000 1.432 618 H HN 0.506 nan 8.280 nan 0.000 0.477 619 T N 7.545 122.090 114.554 -0.015 0.000 2.749 619 T HA 0.420 4.770 4.350 -0.000 0.000 0.287 619 T C -0.915 173.755 174.700 -0.050 0.000 0.970 619 T CA -0.314 61.870 62.100 0.140 0.000 0.980 619 T CB -0.290 68.746 68.868 0.280 0.000 0.924 619 T HN 0.496 nan 8.240 nan 0.000 0.456 620 F N 0.401 120.301 119.950 -0.083 0.000 2.715 620 F HA 0.962 5.489 4.527 -0.000 0.000 0.318 620 F C 0.129 176.081 175.800 0.254 0.000 1.141 620 F CA -0.895 57.100 58.000 -0.007 0.000 0.950 620 F CB 0.997 39.953 39.000 -0.073 0.000 1.374 620 F HN 0.877 nan 8.300 nan 0.000 0.477 621 G N 0.266 109.157 108.800 0.151 0.000 2.332 621 G HA2 0.466 4.426 3.960 -0.000 0.000 0.265 621 G HA3 0.466 4.426 3.960 -0.000 0.000 0.265 621 G C -2.050 172.967 174.900 0.196 0.000 1.329 621 G CA -0.253 44.956 45.100 0.182 0.000 0.949 621 G HN 1.562 nan 8.290 nan 0.000 0.476 622 I N -3.103 117.586 120.570 0.199 0.000 3.174 622 I HA 0.871 5.041 4.170 -0.000 0.000 0.313 622 I C -0.422 175.743 176.117 0.080 0.000 1.155 622 I CA -1.018 60.360 61.300 0.131 0.000 0.977 622 I CB 2.179 40.239 38.000 0.099 0.000 1.248 622 I HN 0.476 nan 8.210 nan 0.000 0.453 623 T N 1.177 115.734 114.554 0.005 0.000 2.770 623 T HA 0.337 4.687 4.350 -0.000 0.000 0.283 623 T C -1.025 173.531 174.700 -0.240 0.000 0.988 623 T CA -0.135 61.871 62.100 -0.156 0.000 0.957 623 T CB -0.020 68.762 68.868 -0.144 0.000 0.930 623 T HN 0.655 nan 8.240 nan 0.000 0.443 624 H N 3.014 121.758 119.070 -0.544 0.000 2.541 624 H HA 0.427 4.983 4.556 -0.000 0.000 0.316 624 H C -1.180 173.773 175.328 -0.624 0.000 1.043 624 H CA -1.086 54.661 56.048 -0.502 0.000 1.232 624 H CB 0.370 29.844 29.762 -0.481 0.000 1.406 624 H HN 0.424 nan 8.280 nan 0.000 0.469 625 F N 6.689 126.767 119.950 0.214 0.000 2.311 625 F HA 0.280 4.807 4.527 -0.000 0.000 0.371 625 F C -1.997 173.892 175.800 0.147 0.000 1.083 625 F CA -2.558 55.499 58.000 0.095 0.000 1.113 625 F CB 0.834 39.885 39.000 0.085 0.000 1.349 625 F HN 0.531 nan 8.300 nan 0.000 0.470 626 P HA 0.200 nan 4.420 nan 0.000 0.266 626 P C -0.678 176.724 177.300 0.169 0.000 1.186 626 P CA 0.104 63.258 63.100 0.090 0.000 0.767 626 P CB 0.751 32.431 31.700 -0.033 0.000 0.820 627 A N 4.173 127.105 122.820 0.187 0.000 2.515 627 A HA 0.608 4.928 4.320 -0.000 0.000 0.296 627 A C -2.067 175.598 177.584 0.135 0.000 1.094 627 A CA -1.569 50.550 52.037 0.138 0.000 0.718 627 A CB 0.851 19.932 19.000 0.135 0.000 1.307 627 A HN 0.248 nan 8.150 nan 0.000 0.408 628 P HA -0.177 nan 4.420 nan 0.000 0.217 628 P C 0.755 178.157 177.300 0.170 0.000 1.148 628 P CA 1.616 64.802 63.100 0.144 0.000 0.828 628 P CB 0.260 32.028 31.700 0.115 0.000 0.783 629 E N -0.709 119.567 120.200 0.127 0.000 2.267 629 E HA -0.171 4.179 4.350 -0.000 0.000 0.197 629 E C 1.307 177.973 176.600 0.111 0.000 0.998 629 E CA 1.056 57.518 56.400 0.102 0.000 0.830 629 E CB -0.742 29.003 29.700 0.074 0.000 0.751 629 E HN 0.357 nan 8.360 nan 0.000 0.491 630 D N -0.944 119.553 120.400 0.161 0.000 2.355 630 D HA -0.017 4.623 4.640 -0.000 0.000 0.218 630 D C -0.256 176.172 176.300 0.212 0.000 1.004 630 D CA 0.409 54.514 54.000 0.175 0.000 0.880 630 D CB 0.114 41.071 40.800 0.263 0.000 0.911 630 D HN 0.067 nan 8.370 nan 0.000 0.528 631 F N 1.136 121.103 119.950 0.027 0.000 2.522 631 F HA 0.317 4.844 4.527 -0.000 0.000 0.324 631 F C -1.711 174.094 175.800 0.009 0.000 1.077 631 F CA -2.375 55.632 58.000 0.011 0.000 0.944 631 F CB 2.158 41.176 39.000 0.030 0.000 1.175 631 F HN -0.301 nan 8.300 nan 0.000 0.468 632 P HA 0.096 nan 4.420 nan 0.000 0.255 632 P C -0.561 176.381 177.300 -0.597 0.000 1.248 632 P CA 0.766 63.054 63.100 -1.353 0.000 0.807 632 P CB 1.083 32.172 31.700 -1.017 0.000 1.150 633 L N 0.978 121.966 121.223 -0.392 0.000 2.436 633 L HA 0.475 4.815 4.340 -0.000 0.000 0.268 633 L C -0.350 176.368 176.870 -0.252 0.000 0.974 633 L CA -1.243 53.320 54.840 -0.461 0.000 0.826 633 L CB 2.641 44.209 42.059 -0.818 0.000 1.291 633 L HN -0.154 nan 8.230 nan 0.000 0.406 634 M N 4.399 123.887 119.600 -0.186 0.000 2.318 634 M HA 0.629 5.108 4.480 -0.000 0.000 0.347 634 M C -2.581 173.646 176.300 -0.121 0.000 1.175 634 M CA -1.568 53.675 55.300 -0.095 0.000 1.075 634 M CB 1.312 33.907 32.600 -0.007 0.000 1.614 634 M HN 0.205 nan 8.290 nan 0.000 0.456 635 P HA 0.178 nan 4.420 nan 0.000 0.271 635 P C -0.769 176.472 177.300 -0.099 0.000 1.218 635 P CA -0.134 62.912 63.100 -0.090 0.000 0.780 635 P CB 0.575 32.240 31.700 -0.060 0.000 0.901 636 A N 2.296 125.055 122.820 -0.101 0.000 2.567 636 A HA 0.012 4.332 4.320 -0.000 0.000 0.240 636 A C 0.357 177.879 177.584 -0.104 0.000 1.053 636 A CA 0.401 52.374 52.037 -0.106 0.000 0.755 636 A CB -0.522 18.427 19.000 -0.086 0.000 0.978 636 A HN 0.591 nan 8.150 nan 0.000 0.507 637 E N 3.527 123.652 120.200 -0.126 0.000 2.158 637 E HA 0.458 4.808 4.350 -0.000 0.000 0.271 637 E C -2.655 173.884 176.600 -0.101 0.000 0.911 637 E CA -2.235 54.092 56.400 -0.122 0.000 0.767 637 E CB 1.823 31.419 29.700 -0.175 0.000 1.120 637 E HN 0.527 nan 8.360 nan 0.000 0.405 638 P HA 0.377 nan 4.420 nan 0.000 0.292 638 P C -0.728 176.547 177.300 -0.041 0.000 1.283 638 P CA -0.360 62.700 63.100 -0.066 0.000 0.835 638 P CB 1.390 33.045 31.700 -0.075 0.000 1.017 639 I N 0.875 121.425 120.570 -0.034 0.000 2.619 639 I HA 0.527 4.697 4.170 -0.000 0.000 0.292 639 I C -0.037 176.068 176.117 -0.020 0.000 1.100 639 I CA -0.531 60.777 61.300 0.015 0.000 1.043 639 I CB 2.618 40.649 38.000 0.052 0.000 1.239 639 I HN 0.288 nan 8.210 nan 0.000 0.420 640 T N 6.525 121.063 114.554 -0.027 0.000 2.889 640 T HA 0.718 5.068 4.350 -0.000 0.000 0.315 640 T C -1.831 172.767 174.700 -0.170 0.000 1.291 640 T CA -0.562 61.468 62.100 -0.118 0.000 1.028 640 T CB 1.613 70.415 68.868 -0.109 0.000 1.235 640 T HN 0.583 nan 8.240 nan 0.000 0.491 641 L N 1.821 122.884 121.223 -0.267 0.000 2.469 641 L HA 0.858 5.198 4.340 -0.000 0.000 0.256 641 L C -1.722 175.021 176.870 -0.212 0.000 1.006 641 L CA -1.166 53.515 54.840 -0.264 0.000 0.832 641 L CB 1.842 43.637 42.059 -0.440 0.000 1.421 641 L HN 0.942 nan 8.230 nan 0.000 0.410 642 M N 2.266 121.780 119.600 -0.143 0.000 2.501 642 M HA 0.655 5.135 4.480 -0.000 0.000 0.293 642 M C -2.139 174.135 176.300 -0.044 0.000 1.192 642 M CA -0.509 54.736 55.300 -0.093 0.000 0.886 642 M CB 2.720 35.287 32.600 -0.056 0.000 1.710 642 M HN 0.681 nan 8.290 nan 0.000 0.457 643 L N 4.474 125.709 121.223 0.021 0.000 2.345 643 L HA 0.581 4.921 4.340 -0.000 0.000 0.274 643 L C -0.842 176.143 176.870 0.191 0.000 0.999 643 L CA -0.507 54.426 54.840 0.156 0.000 0.849 643 L CB 1.483 43.703 42.059 0.268 0.000 1.220 643 L HN 0.699 nan 8.230 nan 0.000 0.422 644 R N 4.104 124.612 120.500 0.013 0.000 2.460 644 R HA 0.480 4.820 4.340 -0.000 0.000 0.303 644 R C -2.564 173.383 176.300 -0.588 0.000 0.968 644 R CA -1.894 54.099 56.100 -0.178 0.000 0.889 644 R CB 1.386 31.629 30.300 -0.094 0.000 1.123 644 R HN 0.258 nan 8.270 nan 0.000 0.455 645 P HA 0.130 nan 4.420 nan 0.000 0.276 645 P C -0.949 176.149 177.300 -0.336 0.000 1.243 645 P CA -0.265 62.227 63.100 -1.013 0.000 0.768 645 P CB 0.906 32.191 31.700 -0.691 0.000 0.856 646 R N 3.230 123.610 120.500 -0.200 0.000 2.483 646 R HA 0.274 4.614 4.340 -0.000 0.000 0.303 646 R C 0.532 176.851 176.300 0.031 0.000 0.987 646 R CA -0.679 55.358 56.100 -0.104 0.000 0.881 646 R CB 0.106 30.401 30.300 -0.008 0.000 1.177 646 R HN 0.657 nan 8.270 nan 0.000 0.451 647 H N 0.882 119.973 119.070 0.036 0.000 3.237 647 H HA -0.218 4.338 4.556 -0.000 0.000 0.231 647 H C 0.690 176.022 175.328 0.007 0.000 1.148 647 H CA 1.169 57.233 56.048 0.027 0.000 1.155 647 H CB -1.190 28.575 29.762 0.004 0.000 1.210 647 H HN 0.536 nan 8.280 nan 0.000 0.317 648 F N 0.413 120.289 119.950 -0.124 0.000 2.187 648 F HA 0.156 4.683 4.527 -0.000 0.000 0.295 648 F C 0.959 176.493 175.800 -0.442 0.000 1.091 648 F CA 0.717 58.525 58.000 -0.320 0.000 1.308 648 F CB 0.243 38.922 39.000 -0.536 0.000 1.030 648 F HN -0.060 nan 8.300 nan 0.000 0.487 649 F N -0.491 119.521 119.950 0.104 0.000 2.457 649 F HA 0.261 4.788 4.527 -0.000 0.000 0.330 649 F C 1.618 177.397 175.800 -0.034 0.000 1.069 649 F CA -0.242 57.765 58.000 0.012 0.000 1.009 649 F CB 0.719 39.738 39.000 0.031 0.000 1.276 649 F HN -0.250 nan 8.300 nan 0.000 0.492 650 T N -3.171 111.476 114.554 0.156 0.000 3.060 650 T HA 0.222 4.572 4.350 -0.000 0.000 0.249 650 T C -0.117 174.693 174.700 0.183 0.000 1.079 650 T CA 0.175 62.294 62.100 0.031 0.000 1.013 650 T CB -0.477 68.218 68.868 -0.288 0.000 0.975 650 T HN 0.722 nan 8.240 nan 0.000 0.518 651 E N 0.328 120.620 120.200 0.153 0.000 2.409 651 E HA 0.235 4.584 4.350 -0.000 0.000 0.280 651 E C -1.433 175.165 176.600 -0.004 0.000 1.079 651 E CA -1.140 55.310 56.400 0.084 0.000 0.840 651 E CB 0.174 29.921 29.700 0.077 0.000 1.309 651 E HN -0.115 nan 8.360 nan 0.000 0.447 652 N N 2.563 121.221 118.700 -0.071 0.000 2.236 652 N HA -0.043 4.697 4.740 -0.000 0.000 0.274 652 N C -1.256 174.151 175.510 -0.171 0.000 1.339 652 N CA -0.762 52.205 53.050 -0.138 0.000 0.845 652 N CB 0.707 39.062 38.487 -0.220 0.000 1.091 652 N HN 0.424 nan 8.380 nan 0.000 0.489 653 P HA 0.011 nan 4.420 nan 0.000 0.237 653 P C 0.703 177.919 177.300 -0.140 0.000 1.178 653 P CA 0.676 63.523 63.100 -0.423 0.000 0.766 653 P CB 0.085 31.088 31.700 -1.161 0.000 0.876 654 G N -0.306 108.491 108.800 -0.006 0.000 3.337 654 G HA2 0.119 4.079 3.960 -0.000 0.000 0.246 654 G HA3 0.119 4.079 3.960 -0.000 0.000 0.246 654 G C 1.223 176.288 174.900 0.274 0.000 1.131 654 G CA -0.188 45.005 45.100 0.155 0.000 0.773 654 G HN 0.171 nan 8.290 nan 0.000 0.544 655 L N 0.892 122.193 121.223 0.131 0.000 2.362 655 L HA 0.017 4.356 4.340 -0.000 0.000 0.219 655 L C 1.790 178.742 176.870 0.136 0.000 1.134 655 L CA 0.904 55.816 54.840 0.120 0.000 0.807 655 L CB -0.038 41.995 42.059 -0.042 0.000 0.927 655 L HN 0.251 nan 8.230 nan 0.000 0.447 656 D N -0.129 120.343 120.400 0.120 0.000 2.336 656 D HA 0.055 4.695 4.640 -0.000 0.000 0.228 656 D C 0.539 176.882 176.300 0.072 0.000 1.120 656 D CA 0.028 54.087 54.000 0.098 0.000 0.839 656 D CB -0.165 40.721 40.800 0.143 0.000 0.932 656 D HN 0.218 nan 8.370 nan 0.000 0.509 657 I N 1.267 121.890 120.570 0.088 0.000 2.365 657 I HA 0.038 4.208 4.170 -0.000 0.000 0.291 657 I C 0.553 176.698 176.117 0.046 0.000 1.004 657 I CA -0.841 60.483 61.300 0.041 0.000 1.311 657 I CB 1.161 39.172 38.000 0.019 0.000 1.401 657 I HN -0.260 nan 8.210 nan 0.000 0.491 658 Q N 6.645 126.457 119.800 0.020 0.000 2.247 658 Q HA 0.119 4.459 4.340 -0.000 0.000 0.288 658 Q C -2.146 173.865 176.000 0.018 0.000 1.079 658 Q CA -1.162 54.653 55.803 0.020 0.000 0.932 658 Q CB 0.037 28.781 28.738 0.010 0.000 1.133 658 Q HN 0.301 nan 8.270 nan 0.000 0.377 659 P HA 0.063 nan 4.420 nan 0.000 0.270 659 P C 0.244 177.562 177.300 0.031 0.000 1.223 659 P CA 0.018 63.138 63.100 0.033 0.000 0.785 659 P CB 0.731 32.462 31.700 0.052 0.000 0.923 660 S N -0.454 115.273 115.700 0.046 0.000 2.470 660 S HA 0.048 4.518 4.470 -0.000 0.000 0.225 660 S C -0.111 174.589 174.600 0.166 0.000 1.006 660 S CA 0.774 59.019 58.200 0.075 0.000 0.934 660 S CB -0.402 62.832 63.200 0.056 0.000 0.778 660 S HN 0.574 nan 8.310 nan 0.000 0.517 661 Y N -0.267 120.040 120.300 0.012 0.000 2.521 661 Y HA 0.532 5.082 4.550 -0.000 0.000 0.328 661 Y C -1.880 174.039 175.900 0.032 0.000 1.151 661 Y CA -1.134 56.978 58.100 0.019 0.000 1.054 661 Y CB 0.794 39.263 38.460 0.015 0.000 1.338 661 Y HN -0.104 nan 8.280 nan 0.000 0.453 662 A N 6.526 128.881 122.820 -0.776 0.000 2.513 662 A HA 0.629 4.949 4.320 -0.000 0.000 0.285 662 A C -1.930 175.327 177.584 -0.546 0.000 1.047 662 A CA -0.376 51.384 52.037 -0.462 0.000 0.864 662 A CB 0.882 19.779 19.000 -0.172 0.000 1.373 662 A HN 0.842 nan 8.150 nan 0.000 0.403 663 M N 2.629 121.996 119.600 -0.388 0.000 2.253 663 M HA 0.549 5.028 4.480 -0.000 0.000 0.314 663 M C -0.324 175.933 176.300 -0.071 0.000 1.019 663 M CA 0.046 55.222 55.300 -0.207 0.000 0.932 663 M CB 1.810 34.356 32.600 -0.090 0.000 1.606 663 M HN 0.630 nan 8.290 nan 0.000 0.430 664 T N 2.576 117.096 114.554 -0.057 0.000 2.849 664 T HA 0.193 4.542 4.350 -0.000 0.000 0.284 664 T C 1.064 175.754 174.700 -0.016 0.000 1.004 664 T CA -0.197 61.886 62.100 -0.028 0.000 1.021 664 T CB 1.300 70.149 68.868 -0.031 0.000 1.013 664 T HN 0.849 nan 8.240 nan 0.000 0.527 665 T N 1.850 116.396 114.554 -0.013 0.000 2.746 665 T HA -0.136 4.214 4.350 -0.000 0.000 0.267 665 T C 2.363 177.052 174.700 -0.019 0.000 1.039 665 T CA 1.776 63.865 62.100 -0.019 0.000 1.142 665 T CB -0.401 68.450 68.868 -0.027 0.000 0.866 665 T HN 0.759 nan 8.240 nan 0.000 0.444 666 S N 1.865 117.554 115.700 -0.019 0.000 2.368 666 S HA -0.140 4.330 4.470 -0.000 0.000 0.225 666 S C 1.870 176.461 174.600 -0.015 0.000 1.030 666 S CA 1.172 59.362 58.200 -0.018 0.000 0.999 666 S CB -0.471 62.719 63.200 -0.017 0.000 0.844 666 S HN 0.626 nan 8.310 nan 0.000 0.459 667 E N 1.875 122.065 120.200 -0.017 0.000 2.150 667 E HA 0.002 4.352 4.350 -0.000 0.000 0.193 667 E C 2.436 179.033 176.600 -0.005 0.000 0.985 667 E CA 0.923 57.314 56.400 -0.015 0.000 0.814 667 E CB -0.435 29.249 29.700 -0.027 0.000 0.752 667 E HN 0.729 nan 8.360 nan 0.000 0.466 668 A N 1.910 124.729 122.820 -0.002 0.000 1.902 668 A HA -0.214 4.105 4.320 -0.000 0.000 0.217 668 A C 1.987 179.572 177.584 0.002 0.000 1.181 668 A CA 1.395 53.438 52.037 0.010 0.000 0.623 668 A CB -0.245 18.762 19.000 0.010 0.000 0.818 668 A HN 0.031 nan 8.150 nan 0.000 0.443 669 K N -0.853 119.543 120.400 -0.008 0.000 1.985 669 K HA -0.150 4.170 4.320 -0.000 0.000 0.210 669 K C 2.358 178.955 176.600 -0.005 0.000 1.047 669 K CA 1.507 57.788 56.287 -0.010 0.000 0.932 669 K CB -0.250 32.241 32.500 -0.015 0.000 0.716 669 K HN 0.376 nan 8.250 nan 0.000 0.439 670 R N 0.762 121.259 120.500 -0.005 0.000 2.185 670 R HA -0.123 4.217 4.340 -0.000 0.000 0.247 670 R C 0.699 177.000 176.300 0.001 0.000 1.159 670 R CA 1.221 57.319 56.100 -0.003 0.000 0.988 670 R CB -0.180 30.117 30.300 -0.005 0.000 0.871 670 R HN 0.142 nan 8.270 nan 0.000 0.458 671 A N 1.231 124.054 122.820 0.006 0.000 3.074 671 A HA 0.334 4.654 4.320 -0.000 0.000 0.251 671 A C 0.103 177.694 177.584 0.011 0.000 1.695 671 A CA -0.062 51.982 52.037 0.012 0.000 1.343 671 A CB -0.524 18.490 19.000 0.023 0.000 1.078 671 A HN 0.162 nan 8.150 nan 0.000 0.644 672 V N 0.000 119.917 119.914 0.006 0.000 2.409 672 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 672 V CA 0.000 62.302 62.300 0.004 0.000 1.235 672 V CB 0.000 31.826 31.823 0.006 0.000 1.184 672 V HN 0.000 nan 8.190 nan 0.000 0.556