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_E 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 -0.002 0.000 0.800 18 P CB 0.000 31.699 31.700 -0.002 0.000 0.726 19 A N 2.043 124.863 122.820 0.001 0.000 2.450 19 A HA 0.469 4.790 4.320 0.001 0.000 0.255 19 A C 0.532 178.122 177.584 0.010 0.000 1.096 19 A CA -0.278 51.763 52.037 0.006 0.000 0.778 19 A CB 0.062 19.065 19.000 0.006 0.000 1.031 19 A HN 0.471 nan 8.150 nan 0.000 0.494 20 R N 2.378 122.884 120.500 0.011 0.000 2.679 20 R HA 0.275 4.616 4.340 0.001 0.000 0.268 20 R C -1.905 174.408 176.300 0.022 0.000 1.044 20 R CA -0.748 55.358 56.100 0.010 0.000 1.105 20 R CB 0.087 30.389 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 -0.305 177.036 177.300 0.069 0.000 1.276 21 P CA -0.304 62.830 63.100 0.056 0.000 0.801 21 P CB 0.994 32.740 31.700 0.076 0.000 1.127 22 A N 0.452 123.337 122.820 0.109 0.000 1.845 22 A HA -0.142 4.179 4.320 0.001 0.000 0.215 22 A C 1.178 178.861 177.584 0.165 0.000 1.195 22 A CA 1.453 53.571 52.037 0.136 0.000 0.616 22 A CB -1.532 17.564 19.000 0.161 0.000 0.832 22 A HN 0.791 nan 8.150 nan 0.000 0.443 23 H N -1.410 117.722 119.070 0.104 0.000 2.463 23 H HA 0.413 4.969 4.556 0.001 0.000 0.332 23 H C -2.114 173.182 175.328 -0.053 0.000 1.127 23 H CA -1.951 54.149 56.048 0.087 0.000 1.238 23 H CB 1.796 31.691 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 0.668 177.988 177.300 0.032 0.000 1.145 24 P CA 1.195 64.165 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 -1.875 119.491 121.223 0.238 0.000 2.607 25 L HA 0.125 4.466 4.340 0.001 0.000 0.228 25 L C 0.314 177.172 176.870 -0.019 0.000 1.123 25 L CA -0.149 54.611 54.840 -0.132 0.000 0.890 25 L CB -0.455 41.198 42.059 -0.676 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 4.763 4.640 0.001 0.000 0.238 26 D C -2.041 174.374 176.300 0.191 0.000 1.142 26 D CA -1.002 53.169 54.000 0.285 0.000 0.884 26 D CB 0.558 41.501 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 0.010 177.408 177.300 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 0.556 121.875 121.223 0.161 0.000 2.485 28 L HA 0.075 4.416 4.340 0.001 0.000 0.275 28 L C 1.212 178.141 176.870 0.098 0.000 1.207 28 L CA 0.127 55.039 54.840 0.119 0.000 0.855 28 L CB -0.107 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 4.624 4.470 0.001 0.000 0.266 29 S C 1.254 175.784 174.600 -0.117 0.000 1.258 29 S CA -0.187 57.979 58.200 -0.055 0.000 0.990 29 S CB 1.335 64.504 63.200 -0.053 0.000 0.967 29 S HN 0.765 nan 8.310 nan 0.000 0.556 30 T N -1.069 113.317 114.554 -0.281 0.000 2.759 30 T HA -0.131 4.220 4.350 0.001 0.000 0.269 30 T C 1.967 176.603 174.700 -0.107 0.000 1.042 30 T CA 1.220 63.192 62.100 -0.214 0.000 1.140 30 T CB -1.125 67.578 68.868 -0.275 0.000 0.864 30 T HN 0.881 nan 8.240 nan 0.000 0.455 31 A N 1.937 124.700 122.820 -0.095 0.000 1.902 31 A HA -0.091 4.230 4.320 0.001 0.000 0.217 31 A C 2.335 179.896 177.584 -0.038 0.000 1.181 31 A CA 1.622 53.624 52.037 -0.058 0.000 0.623 31 A CB -0.691 18.281 19.000 -0.047 0.000 0.818 31 A HN 0.654 nan 8.150 nan 0.000 0.443 32 E N -0.296 119.889 120.200 -0.025 0.000 2.077 32 E HA -0.139 4.211 4.350 0.001 0.000 0.193 32 E C 1.892 178.489 176.600 -0.005 0.000 0.989 32 E CA 1.136 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 1.062 121.628 120.570 -0.007 0.000 2.163 33 I HA -0.299 3.872 4.170 0.001 0.000 0.243 33 I C 2.498 178.570 176.117 -0.075 0.000 1.085 33 I CA 1.124 62.415 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 -0.115 4.206 4.320 0.001 0.000 0.207 34 K C 2.050 178.600 176.600 -0.084 0.000 1.049 34 K CA 1.677 57.906 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 0.539 123.328 122.820 -0.052 0.000 1.908 35 A HA -0.095 4.225 4.320 0.001 0.000 0.218 35 A C 2.380 179.941 177.584 -0.037 0.000 1.181 35 A CA 2.164 54.181 52.037 -0.034 0.000 0.627 35 A CB -1.148 17.842 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 4.188 4.320 0.001 0.000 0.216 36 A C 2.487 180.019 177.584 -0.086 0.000 1.190 36 A CA 2.793 54.812 52.037 -0.030 0.000 0.617 36 A CB -1.542 17.465 19.000 0.011 0.000 0.827 36 A HN 0.805 nan 8.150 nan 0.000 0.443 37 T N -1.769 112.659 114.554 -0.211 0.000 2.788 37 T HA -0.165 4.186 4.350 0.001 0.000 0.268 37 T C 1.687 176.314 174.700 -0.120 0.000 1.044 37 T CA 1.429 63.287 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 1.504 120.151 118.700 -0.088 0.000 2.069 38 N HA -0.081 4.660 4.740 0.001 0.000 0.191 38 N C 2.137 177.660 175.510 0.022 0.000 1.031 38 N CA 1.961 55.002 53.050 -0.016 0.000 0.852 38 N CB -1.133 37.342 38.487 -0.021 0.000 1.018 38 N HN 0.508 nan 8.380 nan 0.000 0.423 39 T N 1.177 115.733 114.554 0.003 0.000 2.684 39 T HA -0.083 4.267 4.350 0.001 0.000 0.267 39 T C 2.169 176.885 174.700 0.026 0.000 1.036 39 T CA 1.084 63.192 62.100 0.013 0.000 1.148 39 T CB -0.446 68.420 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 3.945 4.120 0.001 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 -0.019 120.547 120.400 0.276 0.000 2.074 41 K HA -0.188 4.133 4.320 0.001 0.000 0.209 41 K C 2.425 179.123 176.600 0.163 0.000 1.048 41 K CA 1.897 58.334 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 0.104 0.000 2.356 42 S HA -0.175 4.295 4.470 0.001 0.000 0.223 42 S C 1.702 176.307 174.600 0.007 0.000 1.032 42 S CA 1.115 59.345 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 1.021 121.226 120.300 -0.158 0.000 2.193 43 Y HA -0.147 4.404 4.550 0.001 0.000 0.285 43 Y C 0.644 176.243 175.900 -0.501 0.000 1.166 43 Y CA 1.356 59.233 58.100 -0.372 0.000 1.181 43 Y CB -0.141 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 0.449 120.464 119.950 0.107 0.000 2.983 44 F HA 0.452 4.980 4.527 0.001 0.000 0.307 44 F C 0.732 176.530 175.800 -0.003 0.000 1.218 44 F CA -0.599 57.422 58.000 0.035 0.000 1.323 44 F CB -0.760 38.270 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 4.738 4.320 0.001 0.000 0.243 45 A C 1.535 179.147 177.584 0.047 0.000 1.063 45 A CA 0.799 52.863 52.037 0.045 0.000 0.757 45 A CB -0.468 18.529 19.000 -0.004 0.000 0.991 45 A HN 1.179 nan 8.150 nan 0.000 0.503 46 G N 1.464 110.292 108.800 0.047 0.000 2.159 46 G HA2 -0.196 3.765 3.960 0.001 0.000 0.256 46 G HA3 -0.196 3.765 3.960 0.001 0.000 0.256 46 G C 0.134 175.060 174.900 0.042 0.000 0.977 46 G CA 0.612 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 -0.044 120.395 120.400 0.064 0.000 2.207 47 K HA 0.481 4.802 4.320 0.001 0.000 0.255 47 K C -0.166 176.441 176.600 0.012 0.000 0.941 47 K CA -1.040 55.274 56.287 0.044 0.000 0.825 47 K CB 1.933 34.481 32.500 0.080 0.000 1.119 47 K HN 0.109 nan 8.250 nan 0.000 0.430 48 K N 3.602 123.992 120.400 -0.017 0.000 2.150 48 K HA 0.189 4.510 4.320 0.001 0.000 0.261 48 K C 0.012 176.565 176.600 -0.078 0.000 1.127 48 K CA -0.175 56.094 56.287 -0.029 0.000 0.989 48 K CB -0.487 31.999 32.500 -0.023 0.000 1.475 48 K HN 0.560 nan 8.250 nan 0.000 0.391 49 I N -0.275 120.233 120.570 -0.104 0.000 2.648 49 I HA 0.601 4.772 4.170 0.001 0.000 0.304 49 I C -0.507 175.485 176.117 -0.209 0.000 1.009 49 I CA -0.736 60.433 61.300 -0.219 0.000 1.114 49 I CB 2.171 39.956 38.000 -0.359 0.000 1.293 49 I HN 0.359 nan 8.210 nan 0.000 0.449 50 S N 3.385 118.927 115.700 -0.264 0.000 2.568 50 S HA 0.670 5.140 4.470 0.001 0.000 0.293 50 S C -0.977 173.444 174.600 -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 64.612 63.200 -0.056 0.000 1.077 50 S HN 0.507 nan 8.310 nan 0.000 0.485 51 F N 2.602 122.542 119.950 -0.017 0.000 2.405 51 F HA 0.457 4.985 4.527 0.001 0.000 0.355 51 F C 1.711 177.510 175.800 -0.003 0.000 1.121 51 F CA -0.617 57.380 58.000 -0.005 0.000 1.112 51 F CB 1.233 40.238 39.000 0.008 0.000 1.126 51 F HN 0.825 nan 8.300 nan 0.000 0.481 52 N N 1.285 120.053 118.700 0.115 0.000 2.436 52 N HA 0.015 4.755 4.740 0.001 0.000 0.178 52 N C -0.343 175.242 175.510 0.125 0.000 1.026 52 N CA 0.754 53.855 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 0.096 0.000 3.105 53 T HA 0.447 4.797 4.350 0.001 0.000 0.321 53 T C -1.390 173.332 174.700 0.037 0.000 1.135 53 T CA -0.488 61.592 62.100 -0.032 0.000 1.053 53 T CB 2.582 71.288 68.868 -0.269 0.000 1.133 53 T HN -0.142 nan 8.240 nan 0.000 0.463 54 V N 2.759 122.703 119.914 0.051 0.000 2.462 54 V HA 0.764 4.884 4.120 0.001 0.000 0.288 54 V C -0.157 176.009 176.094 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 3.886 118.534 114.554 0.156 0.000 2.843 55 T HA 0.607 4.958 4.350 0.001 0.000 0.302 55 T C -1.244 173.596 174.700 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 0.542 nan 8.240 nan 0.000 0.504 56 L N 3.063 124.413 121.223 0.212 0.000 2.490 56 L HA 0.542 4.883 4.340 0.001 0.000 0.274 56 L C 0.203 177.165 176.870 0.153 0.000 1.201 56 L CA 0.190 55.130 54.840 0.166 0.000 0.869 56 L CB 0.354 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 4.618 125.194 120.500 0.126 0.000 2.233 57 R HA 0.316 4.656 4.340 0.001 0.000 0.334 57 R C -0.617 175.710 176.300 0.044 0.000 1.037 57 R CA -0.202 55.947 56.100 0.081 0.000 0.920 57 R CB -0.046 30.313 30.300 0.098 0.000 1.137 57 R HN 0.746 nan 8.270 nan 0.000 0.492 58 E N 5.584 125.794 120.200 0.017 0.000 2.415 58 E HA 0.076 4.427 4.350 0.001 0.000 0.262 58 E C -1.848 174.759 176.600 0.013 0.000 1.038 58 E CA -1.355 55.045 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 0.561 nan 8.360 nan 0.000 0.438 59 P HA -0.004 nan 4.420 nan 0.000 0.269 59 P C -0.801 176.551 177.300 0.086 0.000 1.215 59 P CA -0.219 62.913 63.100 0.054 0.000 0.780 59 P CB 0.564 32.306 31.700 0.070 0.000 0.898 60 A N 2.501 125.371 122.820 0.084 0.000 2.531 60 A HA -0.046 4.274 4.320 0.001 0.000 0.236 60 A C 1.854 179.510 177.584 0.120 0.000 1.062 60 A CA 0.028 52.124 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 1.295 121.848 120.500 0.089 0.000 2.094 61 R HA -0.189 4.152 4.340 0.001 0.000 0.239 61 R C 2.116 178.383 176.300 -0.056 0.000 1.137 61 R CA 2.211 58.262 56.100 -0.081 0.000 0.943 61 R CB -0.218 29.826 30.300 -0.426 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 0.001 0.000 0.209 62 K C 1.945 178.571 176.600 0.043 0.000 1.048 62 K CA 1.606 57.883 56.287 -0.016 0.000 0.927 62 K CB -0.205 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 0.358 123.223 122.820 0.075 0.000 1.902 63 A HA -0.209 4.112 4.320 0.001 0.000 0.217 63 A C 2.072 179.747 177.584 0.153 0.000 1.181 63 A CA 1.521 53.615 52.037 0.095 0.000 0.623 63 A CB -0.918 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 4.340 4.550 0.001 0.000 0.286 64 Y C 2.035 178.085 175.900 0.250 0.000 1.145 64 Y CA 1.975 60.184 58.100 0.181 0.000 1.148 64 Y CB -0.262 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 -0.027 120.667 120.570 0.205 0.000 2.286 65 I HA -0.322 3.848 4.170 0.001 0.000 0.248 65 I C 2.526 178.633 176.117 -0.017 0.000 1.115 65 I CA 1.301 62.648 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 4.078 4.340 0.001 0.000 0.202 66 Q C 1.991 177.977 176.000 -0.025 0.000 0.978 66 Q CA 2.019 57.819 55.803 -0.005 0.000 0.844 66 Q CB -0.346 28.406 28.738 0.024 0.000 0.898 66 Q HN 0.663 nan 8.270 nan 0.000 0.426 67 W N 1.603 122.799 121.300 -0.174 0.000 2.358 67 W HA -0.155 4.506 4.660 0.001 0.000 0.303 67 W C 2.049 178.412 176.519 -0.260 0.000 1.208 67 W CA 1.472 58.692 57.345 -0.209 0.000 1.274 67 W CB -0.118 29.191 29.460 -0.251 0.000 1.138 67 W HN -0.058 nan 8.180 nan 0.000 0.515 68 K N 0.471 120.579 120.400 -0.488 0.000 2.062 68 K HA -0.139 4.181 4.320 0.001 0.000 0.205 68 K C 1.117 177.439 176.600 -0.464 0.000 1.051 68 K CA 1.973 57.830 56.287 -0.718 0.000 0.941 68 K CB -0.132 32.109 32.500 -0.432 0.000 0.719 68 K HN 0.461 nan 8.250 nan 0.000 0.440 69 E N -1.170 118.868 120.200 -0.270 0.000 2.641 69 E HA 0.073 4.424 4.350 0.001 0.000 0.224 69 E C 0.453 176.966 176.600 -0.145 0.000 0.951 69 E CA -0.121 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 0.234 119.945 119.800 -0.149 0.000 2.112 70 Q HA 0.180 4.520 4.340 0.001 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 1.340 30.040 28.738 -0.063 0.000 1.184 70 Q HN 0.415 nan 8.270 nan 0.000 0.475 71 G N 1.024 109.720 108.800 -0.172 0.000 2.258 71 G HA2 -0.288 3.673 3.960 0.001 0.000 0.274 71 G HA3 -0.288 3.673 3.960 0.001 0.000 0.274 71 G C 0.560 175.407 174.900 -0.090 0.000 1.021 71 G CA 0.320 45.324 45.100 -0.160 0.000 0.798 71 G HN 0.499 nan 8.290 nan 0.000 0.507 72 G N 0.022 108.785 108.800 -0.061 0.000 2.634 72 G HA2 0.605 4.566 3.960 0.001 0.000 0.255 72 G HA3 0.605 4.566 3.960 0.001 0.000 0.255 72 G C -1.226 173.753 174.900 0.131 0.000 1.205 72 G CA -0.328 44.792 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 -0.614 62.578 63.100 0.153 0.000 0.784 73 P CB 1.056 32.802 31.700 0.076 0.000 0.923 74 L N 4.890 126.203 121.223 0.149 0.000 2.513 74 L HA 0.215 4.555 4.340 0.001 0.000 0.272 74 L C -2.048 174.733 176.870 -0.149 0.000 1.187 74 L CA -1.284 53.475 54.840 -0.135 0.000 0.895 74 L CB -0.905 41.099 42.059 -0.091 0.000 1.147 74 L HN 0.312 nan 8.230 nan 0.000 0.483 75 P HA 0.231 nan 4.420 nan 0.000 0.272 75 P C -2.515 174.731 177.300 -0.091 0.000 1.223 75 P CA -0.904 62.126 63.100 -0.116 0.000 0.784 75 P CB -0.158 31.478 31.700 -0.106 0.000 0.923 76 P HA 0.163 nan 4.420 nan 0.000 0.268 76 P C -0.393 176.896 177.300 -0.018 0.000 1.205 76 P CA -0.091 62.998 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 3.282 123.776 120.500 -0.011 0.000 2.248 77 R HA 0.334 4.674 4.340 0.001 0.000 0.337 77 R C -0.806 175.513 176.300 0.030 0.000 1.106 77 R CA 0.071 56.172 56.100 0.002 0.000 0.959 77 R CB -1.021 29.279 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 0.001 0.000 0.273 78 L C -0.153 176.782 176.870 0.109 0.000 1.013 78 L CA -1.369 53.516 54.840 0.075 0.000 0.816 78 L CB 2.065 44.169 42.059 0.075 0.000 1.278 78 L HN 0.603 nan 8.230 nan 0.000 0.431 79 A N 1.751 124.656 122.820 0.141 0.000 2.330 79 A HA 0.553 4.873 4.320 0.001 0.000 0.313 79 A C -1.529 176.209 177.584 0.258 0.000 1.124 79 A CA -0.387 51.761 52.037 0.185 0.000 0.774 79 A CB 0.977 20.073 19.000 0.161 0.000 1.198 79 A HN 0.598 nan 8.150 nan 0.000 0.465 80 Y N 3.357 123.729 120.300 0.120 0.000 2.323 80 Y HA 0.595 5.146 4.550 0.001 0.000 0.331 80 Y C -0.754 175.223 175.900 0.129 0.000 1.092 80 Y CA -0.819 57.321 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 3.011 122.991 120.300 -0.533 0.000 2.576 81 Y HA 0.831 5.382 4.550 0.001 0.000 0.346 81 Y C -2.066 173.471 175.900 -0.605 0.000 1.018 81 Y CA -1.725 56.134 58.100 -0.401 0.000 1.050 81 Y CB 1.312 39.754 38.460 -0.031 0.000 1.280 81 Y HN 0.354 nan 8.280 nan 0.000 0.474 82 V N 4.684 124.492 119.914 -0.177 0.000 2.569 82 V HA 0.516 4.636 4.120 0.001 0.000 0.301 82 V C -0.390 175.683 176.094 -0.035 0.000 1.044 82 V CA -0.679 61.525 62.300 -0.159 0.000 0.874 82 V CB 1.339 33.108 31.823 -0.090 0.000 1.002 82 V HN 0.855 nan 8.190 nan 0.000 0.424 83 I N 2.710 123.220 120.570 -0.099 0.000 3.002 83 I HA 0.725 4.895 4.170 0.001 0.000 0.310 83 I C -1.465 174.505 176.117 -0.245 0.000 1.087 83 I CA -0.988 60.157 61.300 -0.259 0.000 1.017 83 I CB 2.325 40.030 38.000 -0.492 0.000 1.226 83 I HN 0.238 nan 8.210 nan 0.000 0.443 84 L N 2.334 123.407 121.223 -0.251 0.000 2.334 84 L HA 0.559 4.900 4.340 0.001 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 1.564 121.652 120.200 -0.188 0.000 2.191 85 E HA 0.565 4.915 4.350 0.001 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 4.689 4.320 0.001 0.000 0.240 86 A C 1.304 178.863 177.584 -0.041 0.000 1.053 86 A CA 1.022 53.028 52.037 -0.052 0.000 0.755 86 A CB -0.560 18.417 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 3.751 3.960 0.001 0.000 0.264 87 G HA3 -0.210 3.751 3.960 0.001 0.000 0.264 87 G C 0.219 175.105 174.900 -0.024 0.000 0.975 87 G CA 0.735 45.822 45.100 -0.022 0.000 0.642 87 G HN 0.757 nan 8.290 nan 0.000 0.536 88 K N 1.143 121.520 120.400 -0.037 0.000 2.221 88 K HA 0.490 4.811 4.320 0.001 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 2.518 34.983 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 0.558 177.837 177.300 -0.034 0.000 1.228 89 P CA 0.280 63.368 63.100 -0.019 0.000 0.786 89 P CB 0.843 32.542 31.700 -0.001 0.000 0.927 90 G N 1.373 110.152 108.800 -0.036 0.000 2.550 90 G HA2 -0.120 3.841 3.960 0.001 0.000 0.277 90 G HA3 -0.120 3.841 3.960 0.001 0.000 0.277 90 G C -0.212 174.626 174.900 -0.103 0.000 1.190 90 G CA 0.515 45.578 45.100 -0.061 0.000 0.971 90 G HN 0.945 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 5.081 4.120 0.001 0.000 0.309 91 V C -0.505 175.497 176.094 -0.154 0.000 1.267 91 V CA -0.488 61.708 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 4.970 4.320 0.001 0.000 0.252 92 K C -1.219 175.309 176.600 -0.119 0.000 0.931 92 K CA -0.494 55.726 56.287 -0.111 0.000 0.793 92 K CB 2.378 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 0.886 120.997 120.200 -0.148 0.000 2.392 93 E HA 0.824 5.174 4.350 0.001 0.000 0.269 93 E C -0.435 175.811 176.600 -0.589 0.000 0.924 93 E CA -1.296 54.852 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 0.223 108.280 108.800 -1.238 0.000 2.430 94 G HA2 0.424 4.385 3.960 0.001 0.000 0.300 94 G HA3 0.424 4.385 3.960 0.001 0.000 0.300 94 G C -1.808 172.736 174.900 -0.594 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 0.117 121.315 121.223 -0.042 0.000 2.346 95 L HA 0.713 5.053 4.340 0.001 0.000 0.276 95 L C -0.473 176.528 176.870 0.218 0.000 1.006 95 L CA -1.167 53.754 54.840 0.134 0.000 0.817 95 L CB 2.182 44.304 42.059 0.106 0.000 1.272 95 L HN 0.311 nan 8.230 nan 0.000 0.421 96 V N 1.295 121.347 119.914 0.230 0.000 2.459 96 V HA 0.189 4.310 4.120 0.001 0.000 0.295 96 V C -0.641 175.512 176.094 0.099 0.000 1.029 96 V CA -0.535 61.855 62.300 0.150 0.000 0.874 96 V CB 2.051 33.956 31.823 0.137 0.000 0.985 96 V HN 0.714 nan 8.190 nan 0.000 0.438 97 D N 3.639 124.077 120.400 0.065 0.000 2.380 97 D HA 0.305 4.946 4.640 0.001 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 3.529 124.776 121.223 0.039 0.000 2.083 98 L HA -0.125 4.216 4.340 0.001 0.000 0.209 98 L C 2.433 179.315 176.870 0.020 0.000 1.083 98 L CA 1.195 56.052 54.840 0.029 0.000 0.752 98 L CB -0.436 41.641 42.059 0.029 0.000 0.899 98 L HN 0.567 nan 8.230 nan 0.000 0.433 99 A N 0.120 122.950 122.820 0.018 0.000 1.883 99 A HA -0.216 4.105 4.320 0.001 0.000 0.217 99 A C 2.327 179.920 177.584 0.014 0.000 1.186 99 A CA 2.169 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 4.893 4.470 0.001 0.000 0.224 100 S C 0.452 175.064 174.600 0.019 0.000 0.955 100 S CA 0.033 58.244 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 2.090 123.325 121.223 0.019 0.000 3.965 101 L HA -0.206 4.135 4.340 0.001 0.000 0.476 101 L C -0.044 176.839 176.870 0.022 0.000 1.201 101 L CA 0.552 55.403 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 5.160 4.470 0.001 0.000 0.271 102 S C -0.424 174.183 174.600 0.012 0.000 1.135 102 S CA -1.106 57.111 58.200 0.027 0.000 0.858 102 S CB 2.391 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 2.934 122.829 119.914 -0.032 0.000 2.470 103 V HA 0.218 4.338 4.120 0.001 0.000 0.276 103 V C 1.145 177.202 176.094 -0.062 0.000 1.040 103 V CA -0.117 62.115 62.300 -0.112 0.000 1.008 103 V CB 0.208 31.724 31.823 -0.512 0.000 0.990 103 V HN 0.902 nan 8.190 nan 0.000 0.477 104 I N 1.177 121.745 120.570 -0.004 0.000 4.018 104 I HA 0.543 4.714 4.170 0.001 0.000 0.337 104 I C 0.501 176.625 176.117 0.011 0.000 1.327 104 I CA 0.235 61.542 61.300 0.012 0.000 1.100 104 I CB 0.477 38.495 38.000 0.030 0.000 1.025 104 I HN 0.641 nan 8.210 nan 0.000 0.396 105 E N 0.755 120.956 120.200 0.000 0.000 2.388 105 E HA 0.409 4.760 4.350 0.001 0.000 0.289 105 E C -1.425 175.169 176.600 -0.010 0.000 0.944 105 E CA -0.371 56.032 56.400 0.006 0.000 0.792 105 E CB 2.272 31.986 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 5.075 4.350 0.001 0.000 0.315 106 T C -1.891 172.852 174.700 0.071 0.000 1.291 106 T CA -0.627 61.496 62.100 0.037 0.000 1.028 106 T CB 1.093 69.998 68.868 0.063 0.000 1.235 106 T HN 0.656 nan 8.240 nan 0.000 0.491 107 R N 1.334 121.880 120.500 0.075 0.000 2.709 107 R HA 0.797 5.137 4.340 0.001 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 0.852 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 5.002 4.320 0.001 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 1.092 20.108 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 0.352 4.692 4.340 0.001 0.000 0.261 109 L C 0.880 177.725 176.870 -0.042 0.000 1.024 109 L CA 0.268 55.090 54.840 -0.030 0.000 0.899 109 L CB 0.578 42.606 42.059 -0.051 0.000 1.243 109 L HN 0.921 nan 8.230 nan 0.000 0.449 110 E N 0.309 120.500 120.200 -0.015 0.000 2.427 110 E HA -0.038 4.313 4.350 0.001 0.000 0.196 110 E C 0.462 177.065 176.600 0.005 0.000 1.028 110 E CA 0.888 57.282 56.400 -0.010 0.000 0.864 110 E CB 0.363 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 -1.372 113.192 114.554 0.016 0.000 3.313 111 T HA 0.441 4.792 4.350 0.001 0.000 0.263 111 T C -0.194 174.539 174.700 0.055 0.000 0.983 111 T CA -0.445 61.681 62.100 0.044 0.000 0.963 111 T CB 0.234 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 0.677 120.603 119.914 0.021 0.000 3.114 112 V HA 0.615 4.736 4.120 0.001 0.000 0.308 112 V C -1.689 174.401 176.094 -0.006 0.000 1.168 112 V CA -0.788 61.525 62.300 0.023 0.000 1.015 112 V CB 2.580 34.389 31.823 -0.022 0.000 1.050 112 V HN 0.398 nan 8.190 nan 0.000 0.433 113 Q N 3.902 123.725 119.800 0.038 0.000 2.347 113 Q HA 0.525 4.865 4.340 0.001 0.000 0.271 113 Q C -2.711 173.318 176.000 0.048 0.000 1.064 113 Q CA -1.807 54.010 55.803 0.023 0.000 0.800 113 Q CB 2.796 31.573 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 0.085 177.455 177.300 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 0.073 120.739 120.570 0.160 0.000 2.932 115 I HA -0.071 4.100 4.170 0.001 0.000 0.295 115 I C -0.070 176.128 176.117 0.135 0.000 1.227 115 I CA 0.007 61.380 61.300 0.123 0.000 1.429 115 I CB 0.069 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 7.280 128.575 121.223 0.121 0.000 2.260 116 L HA 0.284 4.625 4.340 0.001 0.000 0.289 116 L C 0.530 177.502 176.870 0.171 0.000 1.057 116 L CA -0.461 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 -0.779 113.794 114.554 0.032 0.000 2.847 117 T HA 0.196 4.546 4.350 0.001 0.000 0.279 117 T C 1.458 176.104 174.700 -0.090 0.000 0.984 117 T CA -0.338 61.658 62.100 -0.174 0.000 0.988 117 T CB 1.540 70.205 68.868 -0.338 0.000 1.040 117 T HN 0.385 nan 8.240 nan 0.000 0.528 118 V N -0.580 119.250 119.914 -0.140 0.000 2.469 118 V HA -0.113 4.008 4.120 0.001 0.000 0.251 118 V C 2.232 178.313 176.094 -0.022 0.000 1.064 118 V CA 1.820 64.094 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 0.305 120.476 120.200 -0.048 0.000 2.047 119 E HA -0.191 4.159 4.350 0.001 0.000 0.191 119 E C 2.092 178.693 176.600 0.002 0.000 0.987 119 E CA 1.489 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 0.725 121.125 120.400 -0.001 0.000 2.133 120 D HA -0.180 4.461 4.640 0.001 0.000 0.195 120 D C 2.090 178.418 176.300 0.048 0.000 0.997 120 D CA 0.996 55.012 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 4.230 4.340 0.001 0.000 0.205 121 L C 2.781 179.688 176.870 0.061 0.000 1.073 121 L CA 0.638 55.519 54.840 0.068 0.000 0.745 121 L CB -0.626 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 0.295 119.623 119.300 0.046 0.000 2.403 122 C HA -0.170 4.291 4.460 0.001 0.000 0.282 122 C C 3.269 178.284 174.990 0.043 0.000 1.297 122 C CA 1.444 60.490 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 -0.694 115.028 115.700 0.037 0.000 2.436 123 S HA -0.122 4.349 4.470 0.001 0.000 0.228 123 S C 1.511 176.132 174.600 0.034 0.000 1.014 123 S CA 1.716 59.934 58.200 0.030 0.000 0.950 123 S CB -0.776 62.439 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 4.204 4.350 0.001 0.000 0.268 124 T C 1.670 176.401 174.700 0.052 0.000 1.037 124 T CA 1.811 63.944 62.100 0.054 0.000 1.144 124 T CB -0.472 68.442 68.868 0.077 0.000 0.864 124 T HN 0.670 nan 8.240 nan 0.000 0.444 125 E N 0.430 120.664 120.200 0.056 0.000 2.070 125 E HA -0.225 4.126 4.350 0.001 0.000 0.197 125 E C 2.226 178.834 176.600 0.012 0.000 1.004 125 E CA 1.330 57.755 56.400 0.042 0.000 0.805 125 E CB -0.041 29.682 29.700 0.039 0.000 0.744 125 E HN 0.296 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 4.212 4.350 0.001 0.000 0.194 126 E C 1.942 178.547 176.600 0.008 0.000 0.988 126 E CA 0.935 57.334 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 0.585 120.509 119.914 0.017 0.000 2.548 127 V HA -0.135 3.986 4.120 0.001 0.000 0.249 127 V C 1.999 178.108 176.094 0.025 0.000 1.055 127 V CA 1.579 63.890 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 -1.508 119.085 120.570 0.037 0.000 2.500 128 I HA -0.030 4.141 4.170 0.001 0.000 0.252 128 I C 2.653 178.802 176.117 0.052 0.000 1.142 128 I CA 1.283 62.616 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 1.111 121.631 120.500 0.033 0.000 2.127 129 R HA -0.105 4.235 4.340 0.001 0.000 0.238 129 R C 1.816 178.130 176.300 0.024 0.000 1.134 129 R CA 1.642 57.756 56.100 0.024 0.000 0.975 129 R CB -0.431 29.865 30.300 -0.006 0.000 0.865 129 R HN 0.567 nan 8.270 nan 0.000 0.447 130 N N 0.622 119.333 118.700 0.018 0.000 2.235 130 N HA -0.060 4.680 4.740 0.001 0.000 0.209 130 N C -0.912 174.604 175.510 0.010 0.000 1.122 130 N CA -0.121 52.937 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 0.359 120.767 120.400 0.014 0.000 2.280 131 D HA 0.203 4.844 4.640 0.001 0.000 0.243 131 D C -1.655 174.640 176.300 -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 -0.223 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 1.641 64.724 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 -0.829 121.954 122.820 -0.061 0.000 1.902 133 A HA -0.169 4.152 4.320 0.001 0.000 0.217 133 A C 2.361 179.861 177.584 -0.140 0.000 1.181 133 A CA 1.922 53.898 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 0.037 nan 8.150 nan 0.000 0.443 134 V N 0.205 120.068 119.914 -0.085 0.000 2.343 134 V HA -0.275 3.846 4.120 0.001 0.000 0.247 134 V C 2.423 178.464 176.094 -0.089 0.000 1.051 134 V CA 2.048 64.306 62.300 -0.070 0.000 1.036 134 V CB -0.702 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 0.102 120.646 120.570 -0.043 0.000 2.179 135 I HA -0.292 3.879 4.170 0.001 0.000 0.242 135 I C 2.610 178.684 176.117 -0.073 0.000 1.088 135 I CA 2.123 63.406 61.300 -0.028 0.000 1.357 135 I CB -0.417 37.576 38.000 -0.012 0.000 1.051 135 I HN 0.424 nan 8.210 nan 0.000 0.409 136 E N 0.640 120.779 120.200 -0.103 0.000 2.085 136 E HA -0.290 4.061 4.350 0.001 0.000 0.194 136 E C 2.204 178.695 176.600 -0.181 0.000 0.994 136 E CA 1.292 57.620 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 0.016 119.625 119.800 -0.317 0.000 2.170 137 Q HA -0.133 4.208 4.340 0.001 0.000 0.203 137 Q C 2.383 178.167 176.000 -0.359 0.000 0.976 137 Q CA 1.244 56.719 55.803 -0.546 0.000 0.858 137 Q CB -0.618 27.369 28.738 -1.253 0.000 0.907 137 Q HN 0.456 nan 8.270 nan 0.000 0.433 138 C N -0.416 118.788 119.300 -0.161 0.000 2.446 138 C HA -0.047 4.414 4.460 0.001 0.000 0.277 138 C C 2.846 177.834 174.990 -0.003 0.000 1.275 138 C CA 0.316 59.364 59.018 0.050 0.000 1.727 138 C CB -0.901 26.904 27.740 0.107 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 -0.199 3.922 4.120 0.001 0.000 0.246 139 V C 2.395 178.464 176.094 -0.042 0.000 1.049 139 V CA 1.648 63.927 62.300 -0.035 0.000 1.024 139 V CB -0.666 31.134 31.823 -0.038 0.000 0.648 139 V HN 0.403 nan 8.190 nan 0.000 0.447 140 L N 0.132 121.317 121.223 -0.064 0.000 2.127 140 L HA -0.119 4.222 4.340 0.001 0.000 0.211 140 L C 2.379 179.231 176.870 -0.030 0.000 1.089 140 L CA 1.859 56.664 54.840 -0.057 0.000 0.757 140 L CB -0.843 41.162 42.059 -0.090 0.000 0.899 140 L HN 0.284 nan 8.230 nan 0.000 0.434 141 S N -0.859 114.835 115.700 -0.011 0.000 2.603 141 S HA 0.256 4.727 4.470 0.001 0.000 0.220 141 S C 1.350 175.941 174.600 -0.015 0.000 0.967 141 S CA 0.657 58.872 58.200 0.025 0.000 0.920 141 S CB -0.019 63.257 63.200 0.126 0.000 0.773 141 S HN 0.648 nan 8.310 nan 0.000 0.529 142 G N 1.265 110.045 108.800 -0.033 0.000 2.138 142 G HA2 -0.181 3.780 3.960 0.001 0.000 0.193 142 G HA3 -0.181 3.780 3.960 0.001 0.000 0.193 142 G C -0.125 174.722 174.900 -0.089 0.000 0.998 142 G CA -0.508 44.558 45.100 -0.056 0.000 0.668 142 G HN 0.472 nan 8.290 nan 0.000 0.516 143 I N 1.312 121.839 120.570 -0.071 0.000 2.382 143 I HA 0.307 4.478 4.170 0.001 0.000 0.286 143 I C -2.257 173.852 176.117 -0.013 0.000 1.002 143 I CA -2.514 58.743 61.300 -0.073 0.000 1.135 143 I CB 2.135 40.091 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 0.596 177.915 177.300 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 32.592 31.700 0.034 0.000 0.807 145 A N 4.154 126.988 122.820 0.023 0.000 2.076 145 A HA -0.219 4.102 4.320 0.001 0.000 0.220 145 A C 1.549 179.162 177.584 0.048 0.000 1.160 145 A CA 1.818 53.872 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 -1.392 117.342 118.700 0.058 0.000 2.383 146 N HA 0.028 4.768 4.740 0.001 0.000 0.192 146 N C 0.431 176.029 175.510 0.147 0.000 1.141 146 N CA 0.343 53.442 53.050 0.082 0.000 0.851 146 N CB 0.069 38.595 38.487 0.064 0.000 0.976 146 N HN 0.541 nan 8.380 nan 0.000 0.465 147 E N -0.034 120.242 120.200 0.126 0.000 2.734 147 E HA 0.183 4.534 4.350 0.001 0.000 0.211 147 E C 0.747 177.346 176.600 -0.003 0.000 0.991 147 E CA -0.329 56.132 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 4.337 4.480 0.001 0.000 0.263 148 M C 1.941 178.228 176.300 -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 -0.973 118.086 119.070 -0.018 0.000 2.559 149 H HA 0.031 4.587 4.556 0.001 0.000 0.273 149 H C 1.001 176.263 175.328 -0.111 0.000 1.000 149 H CA 0.730 56.725 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 4.530 4.320 0.001 0.000 0.196 150 K C 0.023 176.644 176.600 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 33.504 32.500 -0.321 0.000 0.848 150 K HN 0.003 nan 8.250 nan 0.000 0.528 151 V N 2.012 121.933 119.914 0.012 0.000 2.465 151 V HA 0.209 4.330 4.120 0.001 0.000 0.279 151 V C -0.638 175.450 176.094 -0.011 0.000 1.045 151 V CA -0.433 61.961 62.300 0.156 0.000 0.938 151 V CB 0.367 32.271 31.823 0.135 0.000 0.986 151 V HN 0.037 nan 8.190 nan 0.000 0.467 152 Y N 2.650 122.996 120.300 0.077 0.000 2.665 152 Y HA 0.800 5.351 4.550 0.002 0.000 0.336 152 Y C 0.184 176.155 175.900 0.119 0.000 1.085 152 Y CA -1.021 57.123 58.100 0.074 0.000 1.096 152 Y CB 2.046 40.528 38.460 0.037 0.000 1.301 152 Y HN 0.866 nan 8.280 nan 0.000 0.493 153 C N -1.080 118.406 119.300 0.310 0.000 3.181 153 C HA 0.592 5.053 4.460 0.001 0.000 0.362 153 C C -1.893 173.275 174.990 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 5.117 4.640 0.001 0.000 0.234 154 D C -2.284 174.281 176.300 0.441 0.000 1.112 154 D CA -1.142 53.110 54.000 0.420 0.000 0.840 154 D CB 1.835 43.001 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 -0.485 62.801 63.100 0.310 0.000 0.790 155 P CB 0.356 32.171 31.700 0.192 0.000 0.897 156 W N 1.802 123.188 121.300 0.143 0.000 2.481 156 W HA 0.363 5.023 4.660 0.001 0.000 0.369 156 W C 0.688 177.330 176.519 0.206 0.000 1.235 156 W CA -0.368 57.114 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 1.780 116.612 114.554 0.462 0.000 2.813 157 T HA 0.062 4.413 4.350 0.001 0.000 0.297 157 T C 1.148 175.978 174.700 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 0.418 121.063 120.570 0.125 0.000 3.291 158 I HA 0.076 4.247 4.170 0.001 0.000 0.279 158 I C 1.699 177.860 176.117 0.074 0.000 1.294 158 I CA 1.115 62.467 61.300 0.087 0.000 1.428 158 I CB -0.887 37.144 38.000 0.051 0.000 1.070 158 I HN 1.033 nan 8.210 nan 0.000 0.478 159 G N 1.009 109.852 108.800 0.072 0.000 5.306 159 G HA2 -0.387 3.574 3.960 0.001 0.000 0.318 159 G HA3 -0.387 3.574 3.960 0.001 0.000 0.318 159 G C 0.046 175.056 174.900 0.182 0.000 1.413 159 G CA 0.612 45.714 45.100 0.003 0.000 0.981 159 G HN 0.468 nan 8.290 nan 0.000 0.788 160 Y N 1.545 121.880 120.300 0.057 0.000 2.409 160 Y HA 0.552 5.103 4.550 0.001 0.000 0.321 160 Y C -2.294 173.655 175.900 0.082 0.000 1.209 160 Y CA -0.513 57.637 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 5.604 125.533 120.400 -0.786 0.000 2.686 161 D HA 0.126 4.767 4.640 0.001 0.000 0.249 161 D C 0.556 176.383 176.300 -0.789 0.000 1.260 161 D CA -0.235 53.446 54.000 -0.532 0.000 0.910 161 D CB 1.500 42.285 40.800 -0.024 0.000 1.323 161 D HN 0.846 nan 8.370 nan 0.000 0.561 162 E N 3.638 123.443 120.200 -0.659 0.000 2.396 162 E HA -0.201 4.150 4.350 0.001 0.000 0.200 162 E C 0.816 177.190 176.600 -0.378 0.000 1.023 162 E CA 0.715 56.883 56.400 -0.387 0.000 0.857 162 E CB -0.028 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 -0.819 119.343 120.500 -0.562 0.000 2.193 163 R HA 0.035 4.376 4.340 0.001 0.000 0.213 163 R C 1.360 177.050 176.300 -1.018 0.000 1.055 163 R CA 1.229 56.768 56.100 -0.936 0.000 0.995 163 R CB 0.056 29.397 30.300 -1.598 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 4.981 4.660 0.001 0.000 0.288 164 W C 1.038 177.515 176.519 -0.070 0.000 1.014 164 W CA 0.459 57.738 57.345 -0.109 0.000 1.396 164 W CB -0.046 29.356 29.460 -0.097 0.000 0.963 164 W HN 0.215 nan 8.180 nan 0.000 0.584 165 G N 2.119 110.952 108.800 0.055 0.000 2.611 165 G HA2 -0.423 3.537 3.960 0.001 0.000 0.301 165 G HA3 -0.423 3.537 3.960 0.001 0.000 0.301 165 G C 0.742 175.765 174.900 0.206 0.000 1.233 165 G CA 2.245 47.442 45.100 0.161 0.000 0.993 165 G HN 0.174 nan 8.290 nan 0.000 0.553 166 T N -1.896 112.775 114.554 0.194 0.000 3.174 166 T HA 0.519 4.870 4.350 0.001 0.000 0.269 166 T C 2.059 176.829 174.700 0.115 0.000 1.017 166 T CA 0.972 63.169 62.100 0.160 0.000 0.899 166 T CB 0.685 69.648 68.868 0.159 0.000 1.077 166 T HN 1.627 nan 8.240 nan 0.000 0.552 167 G N 1.818 110.694 108.800 0.126 0.000 2.450 167 G HA2 0.003 3.964 3.960 0.001 0.000 0.220 167 G HA3 0.003 3.964 3.960 0.001 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 -0.956 119.486 120.400 0.071 0.000 2.469 168 K HA 0.421 4.742 4.320 0.001 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 34.835 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 0.205 4.546 4.340 0.001 0.000 0.323 169 R C -1.068 175.216 176.300 -0.026 0.000 1.067 169 R CA -0.288 55.811 56.100 -0.002 0.000 0.946 169 R CB 0.202 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 3.245 124.456 121.223 -0.020 0.000 2.341 170 L HA 0.462 4.802 4.340 0.001 0.000 0.267 170 L C -0.296 176.576 176.870 0.003 0.000 1.009 170 L CA -0.573 54.233 54.840 -0.057 0.000 0.819 170 L CB 2.004 43.984 42.059 -0.132 0.000 1.323 170 L HN 0.660 nan 8.230 nan 0.000 0.425 171 Q N 1.172 120.975 119.800 0.005 0.000 2.433 171 Q HA 0.615 4.956 4.340 0.001 0.000 0.279 171 Q C -1.279 174.755 176.000 0.057 0.000 1.105 171 Q CA -0.839 55.010 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 -0.048 119.817 119.800 0.109 0.000 2.353 172 Q HA 0.795 5.135 4.340 0.001 0.000 0.268 172 Q C -1.535 174.510 176.000 0.075 0.000 1.045 172 Q CA -0.975 54.862 55.803 0.058 0.000 0.811 172 Q CB 1.905 30.654 28.738 0.017 0.000 1.305 172 Q HN 0.544 nan 8.270 nan 0.000 0.447 173 A N 4.735 127.579 122.820 0.040 0.000 2.249 173 A HA 0.464 4.785 4.320 0.001 0.000 0.314 173 A C -0.407 177.146 177.584 -0.052 0.000 1.290 173 A CA -0.816 51.249 52.037 0.047 0.000 0.893 173 A CB 0.430 19.470 19.000 0.065 0.000 1.165 173 A HN 0.838 nan 8.150 nan 0.000 0.530 174 L N 4.142 125.329 121.223 -0.059 0.000 2.295 174 L HA 0.219 4.560 4.340 0.001 0.000 0.288 174 L C -0.368 176.402 176.870 -0.166 0.000 1.079 174 L CA -0.496 54.244 54.840 -0.165 0.000 0.830 174 L CB 0.723 42.703 42.059 -0.133 0.000 1.200 174 L HN 0.426 nan 8.230 nan 0.000 0.438 175 V N 4.310 123.999 119.914 -0.376 0.000 2.530 175 V HA 0.242 4.362 4.120 0.001 0.000 0.282 175 V C -0.296 175.457 176.094 -0.568 0.000 1.048 175 V CA -0.119 61.967 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 0.423 nan 8.190 nan 0.000 0.477 176 Y N 2.863 123.176 120.300 0.022 0.000 2.665 176 Y HA 0.665 5.216 4.550 0.001 0.000 0.336 176 Y C -0.755 175.270 175.900 0.210 0.000 1.085 176 Y CA -1.010 57.127 58.100 0.062 0.000 1.096 176 Y CB 1.972 40.390 38.460 -0.070 0.000 1.301 176 Y HN 0.578 nan 8.280 nan 0.000 0.493 177 Y N 0.956 121.426 120.300 0.282 0.000 2.433 177 Y HA 0.630 5.181 4.550 0.001 0.000 0.337 177 Y C -1.378 174.658 175.900 0.227 0.000 1.026 177 Y CA -1.259 56.984 58.100 0.239 0.000 1.037 177 Y CB 1.332 39.912 38.460 0.199 0.000 1.245 177 Y HN 0.538 nan 8.280 nan 0.000 0.443 178 R N 3.336 123.455 120.500 -0.635 0.000 2.445 178 R HA 0.324 4.665 4.340 0.001 0.000 0.308 178 R C 0.555 176.169 176.300 -1.144 0.000 0.961 178 R CA -0.038 55.580 56.100 -0.804 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 0.224 115.274 115.700 -1.084 0.000 2.470 179 S HA -0.062 4.408 4.470 0.001 0.000 0.225 179 S C 0.384 174.754 174.600 -0.383 0.000 1.006 179 S CA 0.465 58.318 58.200 -0.579 0.000 0.934 179 S CB 0.043 63.110 63.200 -0.222 0.000 0.778 179 S HN 0.668 nan 8.310 nan 0.000 0.517 180 D N 0.402 120.535 120.400 -0.445 0.000 2.857 180 D HA 0.236 4.877 4.640 0.001 0.000 0.227 180 D C 0.660 176.796 176.300 -0.273 0.000 1.192 180 D CA -0.570 53.274 54.000 -0.259 0.000 0.857 180 D CB 1.619 42.302 40.800 -0.195 0.000 1.645 180 D HN 0.163 nan 8.370 nan 0.000 0.482 181 E N 1.415 121.526 120.200 -0.149 0.000 2.267 181 E HA -0.216 4.135 4.350 0.001 0.000 0.197 181 E C 0.189 176.671 176.600 -0.196 0.000 0.998 181 E CA 1.026 57.351 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 1.071 121.355 120.400 -0.193 0.000 2.340 182 D HA 0.034 4.674 4.640 0.001 0.000 0.220 182 D C -0.130 176.040 176.300 -0.217 0.000 1.039 182 D CA 0.180 54.060 54.000 -0.200 0.000 0.866 182 D CB -0.033 40.660 40.800 -0.178 0.000 0.913 182 D HN 0.169 nan 8.370 nan 0.000 0.523 183 D N 0.021 120.228 120.400 -0.322 0.000 2.363 183 D HA 0.005 4.646 4.640 0.001 0.000 0.240 183 D C 0.157 176.237 176.300 -0.366 0.000 1.236 183 D CA 0.286 54.031 54.000 -0.425 0.000 0.927 183 D CB 0.793 41.216 40.800 -0.628 0.000 1.150 183 D HN -0.206 nan 8.370 nan 0.000 0.458 184 S N -0.099 115.409 115.700 -0.321 0.000 2.461 184 S HA 0.046 4.517 4.470 0.001 0.000 0.322 184 S C 1.216 175.768 174.600 -0.081 0.000 1.063 184 S CA -0.696 57.395 58.200 -0.181 0.000 1.120 184 S CB 0.381 63.489 63.200 -0.154 0.000 0.968 184 S HN 0.346 nan 8.310 nan 0.000 0.467 185 Q N 3.874 123.507 119.800 -0.279 0.000 2.308 185 Q HA -0.211 4.129 4.340 0.001 0.000 0.209 185 Q C 0.455 176.334 176.000 -0.201 0.000 0.985 185 Q CA 1.791 57.433 55.803 -0.268 0.000 0.881 185 Q CB -0.711 27.702 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 4.403 4.550 0.001 0.000 0.289 186 Y C 2.610 178.706 175.900 0.326 0.000 1.150 186 Y CA 1.303 59.419 58.100 0.027 0.000 1.293 186 Y CB -0.190 38.285 38.460 0.025 0.000 0.977 186 Y HN 0.391 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 0.001 0.000 0.217 187 S C 0.132 174.764 174.600 0.053 0.000 0.975 187 S CA 0.215 58.606 58.200 0.318 0.000 0.912 187 S CB -0.382 62.905 63.200 0.145 0.000 0.776 187 S HN 0.448 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 5.019 4.556 0.001 0.000 0.230 188 H C -2.798 172.650 175.328 0.199 0.000 1.426 188 H CA -1.697 54.426 56.048 0.125 0.000 1.359 188 H CB 0.888 30.714 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 62.603 63.100 -0.197 0.000 0.811 189 P CB 2.060 33.609 31.700 -0.251 0.000 1.035 190 L N 1.419 122.431 121.223 -0.352 0.000 2.358 190 L HA 0.263 4.604 4.340 0.001 0.000 0.268 190 L C 1.694 178.386 176.870 -0.297 0.000 1.032 190 L CA -0.527 54.142 54.840 -0.284 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 -0.295 120.045 120.400 -0.101 0.000 2.347 191 D HA -0.062 4.579 4.640 0.001 0.000 0.213 191 D C 0.177 176.636 176.300 0.264 0.000 0.985 191 D CA 0.344 54.380 54.000 0.061 0.000 0.879 191 D CB -0.109 40.756 40.800 0.109 0.000 0.919 191 D HN 0.230 nan 8.370 nan 0.000 0.526 192 F N -0.567 119.444 119.950 0.103 0.000 2.497 192 F HA 0.612 5.140 4.527 0.001 0.000 0.331 192 F C -0.545 175.294 175.800 0.064 0.000 1.060 192 F CA -2.179 55.874 58.000 0.088 0.000 0.989 192 F CB 1.124 40.149 39.000 0.042 0.000 1.245 192 F HN -0.118 nan 8.300 nan 0.000 0.486 193 C N 3.816 123.242 119.300 0.210 0.000 2.407 193 C HA 0.635 5.096 4.460 0.001 0.000 0.328 193 C C -2.873 172.230 174.990 0.188 0.000 1.137 193 C CA -1.979 57.087 59.018 0.081 0.000 1.390 193 C CB 0.529 28.267 27.740 -0.004 0.000 1.989 193 C HN 0.685 nan 8.230 nan 0.000 0.432 194 P HA 0.359 nan 4.420 nan 0.000 0.279 194 P C -0.732 176.626 177.300 0.097 0.000 1.239 194 P CA -0.168 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 3.630 124.248 120.570 0.080 0.000 2.339 195 I HA 0.278 4.449 4.170 0.001 0.000 0.290 195 I C -0.108 175.960 176.117 -0.081 0.000 0.994 195 I CA -0.631 60.647 61.300 -0.037 0.000 1.191 195 I CB 1.227 39.130 38.000 -0.161 0.000 1.343 195 I HN 0.042 nan 8.210 nan 0.000 0.458 196 V N 5.122 124.991 119.914 -0.076 0.000 2.555 196 V HA 0.282 4.402 4.120 0.001 0.000 0.302 196 V C 0.043 176.082 176.094 -0.091 0.000 1.038 196 V CA -0.813 61.450 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 3.123 123.467 120.400 -0.093 0.000 2.374 197 D HA 0.104 4.745 4.640 0.001 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 42.331 40.800 -0.082 0.000 1.046 197 D HN 0.630 nan 8.370 nan 0.000 0.498 198 T N 2.995 117.532 114.554 -0.027 0.000 2.635 198 T HA -0.175 4.176 4.350 0.001 0.000 0.267 198 T C 0.743 175.438 174.700 -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 4.574 4.350 0.001 0.000 0.279 199 E C 0.318 176.907 176.600 -0.017 0.000 1.395 199 E CA 0.078 56.468 56.400 -0.016 0.000 1.648 199 E CB 0.417 30.104 29.700 -0.022 0.000 1.524 199 E HN 0.465 nan 8.360 nan 0.000 0.462 200 E N -0.101 120.090 120.200 -0.015 0.000 2.267 200 E HA -0.006 4.345 4.350 0.001 0.000 0.186 200 E C -0.388 176.206 176.600 -0.011 0.000 0.954 200 E CA -0.010 56.381 56.400 -0.014 0.000 1.414 200 E CB 0.268 29.956 29.700 -0.020 0.000 2.698 200 E HN 0.174 nan 8.360 nan 0.000 0.927 201 K N 1.725 122.119 120.400 -0.009 0.000 3.278 201 K HA -0.240 4.080 4.320 0.001 0.000 0.270 201 K C -0.338 176.260 176.600 -0.004 0.000 0.955 201 K CA 1.328 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 0.486 4.807 4.320 0.001 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 34.277 32.500 -0.009 0.000 1.359 202 K HN -0.099 nan 8.250 nan 0.000 0.434 203 V N 4.069 123.978 119.914 -0.007 0.000 2.470 203 V HA 0.085 4.206 4.120 0.001 0.000 0.276 203 V C 1.221 177.311 176.094 -0.007 0.000 1.040 203 V CA -0.206 62.091 62.300 -0.006 0.000 1.008 203 V CB 0.319 32.149 31.823 0.012 0.000 0.990 203 V HN 0.885 nan 8.190 nan 0.000 0.477 204 I N 1.790 122.345 120.570 -0.026 0.000 3.941 204 I HA 0.524 4.695 4.170 0.001 0.000 0.321 204 I C 0.116 176.337 176.117 0.174 0.000 1.284 204 I CA 0.526 61.831 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 0.935 120.860 119.950 -0.043 0.000 2.746 205 F HA 0.588 5.116 4.527 0.001 0.000 0.311 205 F C -2.015 173.824 175.800 0.065 0.000 1.135 205 F CA -1.032 57.002 58.000 0.057 0.000 0.954 205 F CB 1.519 40.632 39.000 0.187 0.000 1.276 205 F HN -0.229 nan 8.300 nan 0.000 0.440 206 I N 3.892 124.307 120.570 -0.258 0.000 2.478 206 I HA 0.280 4.451 4.170 0.001 0.000 0.287 206 I C -1.285 174.880 176.117 0.080 0.000 1.042 206 I CA -0.809 60.496 61.300 0.009 0.000 1.067 206 I CB 1.753 39.714 38.000 -0.066 0.000 1.233 206 I HN 0.357 nan 8.210 nan 0.000 0.431 207 D N 7.766 128.390 120.400 0.372 0.000 2.339 207 D HA 0.411 5.052 4.640 0.001 0.000 0.256 207 D C -0.239 176.228 176.300 0.279 0.000 1.214 207 D CA 0.373 54.631 54.000 0.430 0.000 0.877 207 D CB 1.508 42.572 40.800 0.440 0.000 1.111 207 D HN 0.305 nan 8.370 nan 0.000 0.478 208 I N 4.545 125.239 120.570 0.207 0.000 2.436 208 I HA 0.236 4.407 4.170 0.001 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 2.101 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 1.149 32.968 31.700 0.199 0.000 0.977 210 N N 0.723 119.469 118.700 0.077 0.000 2.216 210 N HA -0.054 4.687 4.740 0.001 0.000 0.183 210 N C 0.620 176.165 175.510 0.057 0.000 1.017 210 N CA 0.899 53.979 53.050 0.051 0.000 0.861 210 N CB -0.087 38.422 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 0.001 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 -0.151 nan 8.270 nan 0.000 0.462 212 R N 2.922 123.459 120.500 0.061 0.000 2.410 212 R HA 0.385 4.726 4.340 0.001 0.000 0.288 212 R C -0.270 176.056 176.300 0.042 0.000 1.051 212 R CA -0.820 55.316 56.100 0.060 0.000 1.021 212 R CB 0.771 31.095 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 0.037 0.000 2.502 213 R HA 0.329 4.670 4.340 0.001 0.000 0.300 213 R C -0.376 175.921 176.300 -0.004 0.000 0.984 213 R CA -0.511 55.589 56.100 -0.000 0.000 0.882 213 R CB 1.869 32.144 30.300 -0.041 0.000 1.180 213 R HN 0.354 nan 8.270 nan 0.000 0.444 214 K N 1.241 121.637 120.400 -0.008 0.000 2.107 214 K HA 0.336 4.657 4.320 0.001 0.000 0.251 214 K C -0.086 176.498 176.600 -0.027 0.000 1.012 214 K CA -0.859 55.422 56.287 -0.010 0.000 0.920 214 K CB 0.846 33.337 32.500 -0.015 0.000 1.033 214 K HN 0.223 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 -0.113 4.008 4.120 0.001 0.000 0.305 215 V C 0.741 176.839 176.094 0.007 0.000 1.120 215 V CA -0.117 62.165 62.300 -0.029 0.000 1.254 215 V CB 0.571 32.328 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 0.113 4.583 4.470 0.001 0.000 0.286 216 S C 0.800 175.492 174.600 0.155 0.000 1.314 216 S CA -0.191 58.020 58.200 0.017 0.000 1.062 216 S CB 0.281 63.331 63.200 -0.251 0.000 0.865 216 S HN 0.793 nan 8.310 nan 0.000 0.498 217 K N 2.344 122.777 120.400 0.056 0.000 2.404 217 K HA 0.130 4.450 4.320 0.001 0.000 0.194 217 K C -0.002 176.610 176.600 0.020 0.000 1.023 217 K CA 0.028 56.328 56.287 0.021 0.000 1.094 217 K CB 0.069 32.514 32.500 -0.092 0.000 0.841 217 K HN 0.702 nan 8.250 nan 0.000 0.523 218 H N 1.105 120.276 119.070 0.170 0.000 2.597 218 H HA 0.069 4.626 4.556 0.001 0.000 0.370 218 H C 0.066 175.603 175.328 0.347 0.000 1.281 218 H CA -0.184 55.973 56.048 0.182 0.000 1.422 218 H CB 0.529 30.337 29.762 0.076 0.000 1.524 218 H HN -0.020 nan 8.280 nan 0.000 0.607 219 K N 0.317 120.984 120.400 0.446 0.000 2.154 219 K HA 0.209 4.529 4.320 0.001 0.000 0.264 219 K C -0.726 176.163 176.600 0.483 0.000 1.008 219 K CA -0.680 55.848 56.287 0.401 0.000 0.937 219 K CB 0.455 33.123 32.500 0.279 0.000 1.002 219 K HN 0.499 nan 8.250 nan 0.000 0.469 220 H N 0.131 119.334 119.070 0.222 0.000 2.897 220 H HA 0.117 4.674 4.556 0.001 0.000 0.347 220 H C -0.239 175.086 175.328 -0.006 0.000 1.068 220 H CA 0.589 56.721 56.048 0.139 0.000 1.426 220 H CB 0.647 30.338 29.762 -0.117 0.000 1.410 220 H HN 0.752 nan 8.280 nan 0.000 0.597 221 A N 4.502 127.238 122.820 -0.141 0.000 2.527 221 A HA 0.198 4.518 4.320 0.001 0.000 0.313 221 A C 0.002 177.407 177.584 -0.298 0.000 1.410 221 A CA -0.708 51.118 52.037 -0.350 0.000 1.060 221 A CB -0.489 18.034 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 5.375 4.740 0.001 0.000 0.280 222 N C -0.120 175.239 175.510 -0.252 0.000 1.205 222 N CA -0.328 52.410 53.050 -0.519 0.000 0.959 222 N CB 1.102 38.938 38.487 -1.084 0.000 1.206 222 N HN 0.591 nan 8.380 nan 0.000 0.545 223 F N -2.418 117.483 119.950 -0.081 0.000 2.915 223 F HA 0.439 4.967 4.527 0.001 0.000 0.347 223 F C -0.303 175.520 175.800 0.039 0.000 1.104 223 F CA -0.825 57.151 58.000 -0.040 0.000 1.126 223 F CB -0.601 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 2.648 123.091 120.300 0.239 0.000 2.314 224 Y HA 0.320 4.871 4.550 0.001 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 38.670 38.460 0.061 0.000 1.306 224 Y HN -0.226 nan 8.280 nan 0.000 0.558 225 P HA -0.283 nan 4.420 nan 0.000 0.216 225 P C 1.111 178.437 177.300 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 -1.008 119.369 120.400 -0.038 0.000 2.103 226 K HA -0.214 4.107 4.320 0.001 0.000 0.207 226 K C 1.726 178.266 176.600 -0.101 0.000 1.048 226 K CA 1.763 57.977 56.287 -0.122 0.000 0.930 226 K CB -1.168 31.187 32.500 -0.241 0.000 0.716 226 K HN 0.265 nan 8.250 nan 0.000 0.444 227 H N -0.077 119.016 119.070 0.039 0.000 2.363 227 H HA 0.068 4.624 4.556 0.001 0.000 0.301 227 H C 2.119 177.469 175.328 0.037 0.000 1.074 227 H CA 1.421 57.482 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 0.191 119.894 119.600 0.172 0.000 2.117 228 M HA -0.111 4.370 4.480 0.001 0.000 0.262 228 M C 2.291 178.640 176.300 0.081 0.000 1.065 228 M CA 1.270 56.640 55.300 0.116 0.000 1.114 228 M CB -0.673 31.987 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 -0.293 3.877 4.170 0.001 0.000 0.248 229 I C 2.506 178.651 176.117 0.047 0.000 1.111 229 I CA 1.311 62.637 61.300 0.043 0.000 1.382 229 I CB -0.356 37.659 38.000 0.024 0.000 1.060 229 I HN 0.423 nan 8.210 nan 0.000 0.418 230 E N 0.963 121.198 120.200 0.058 0.000 2.112 230 E HA -0.231 4.120 4.350 0.001 0.000 0.190 230 E C 2.150 178.793 176.600 0.073 0.000 0.979 230 E CA 0.827 57.264 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 0.329 nan 8.360 nan 0.000 0.460 231 K N 0.425 120.877 120.400 0.087 0.000 1.991 231 K HA -0.057 4.264 4.320 0.001 0.000 0.207 231 K C 1.264 177.908 176.600 0.074 0.000 1.045 231 K CA 1.290 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 -2.742 117.212 119.914 0.067 0.000 3.369 232 V HA 0.498 4.619 4.120 0.001 0.000 0.301 232 V C 1.402 177.524 176.094 0.046 0.000 1.184 232 V CA -0.181 62.151 62.300 0.055 0.000 1.013 232 V CB 0.498 32.352 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 0.332 4.293 3.960 0.001 0.000 0.216 233 G HA3 0.332 4.293 3.960 0.001 0.000 0.216 233 G C 0.472 175.391 174.900 0.031 0.000 1.240 233 G CA 1.492 46.612 45.100 0.032 0.000 0.796 233 G HN 1.749 nan 8.290 nan 0.000 0.568 234 A N -2.312 120.526 122.820 0.029 0.000 2.557 234 A HA 0.677 4.998 4.320 0.001 0.000 0.292 234 A C -0.434 177.167 177.584 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 4.783 4.480 0.001 0.000 0.315 235 M C 0.693 177.005 176.300 0.020 0.000 1.134 235 M CA 0.272 55.587 55.300 0.025 0.000 1.171 235 M CB -0.079 32.536 32.600 0.025 0.000 1.413 235 M HN 0.729 nan 8.290 nan 0.000 0.467 236 R N 0.629 121.139 120.500 0.017 0.000 2.615 236 R HA 0.357 4.697 4.340 0.001 0.000 0.270 236 R C -2.079 174.229 176.300 0.012 0.000 1.081 236 R CA -1.365 54.743 56.100 0.014 0.000 1.154 236 R CB -0.566 29.741 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 1.485 121.690 120.200 0.008 0.000 2.452 238 E HA 0.270 4.621 4.350 0.001 0.000 0.261 238 E C -0.455 176.148 176.600 0.006 0.000 0.987 238 E CA 0.050 56.455 56.400 0.007 0.000 0.926 238 E CB 0.095 29.800 29.700 0.008 0.000 0.934 238 E HN 0.468 nan 8.360 nan 0.000 0.452 239 A N 5.356 128.179 122.820 0.005 0.000 2.302 239 A HA 0.498 4.819 4.320 0.001 0.000 0.285 239 A C -2.130 175.456 177.584 0.004 0.000 1.105 239 A CA -1.484 50.555 52.037 0.004 0.000 0.816 239 A CB -0.017 18.984 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 -0.131 31.572 31.700 0.004 0.000 0.785 241 P HA 0.129 nan 4.420 nan 0.000 0.269 241 P C -0.618 176.686 177.300 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 2.545 123.120 120.570 0.008 0.000 2.420 242 I HA 0.207 4.378 4.170 0.001 0.000 0.282 242 I C -0.005 176.120 176.117 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 39.030 38.000 0.008 0.000 1.262 242 I HN 0.198 nan 8.210 nan 0.000 0.454 243 N N 6.104 124.812 118.700 0.014 0.000 2.421 243 N HA 0.425 5.165 4.740 0.001 0.000 0.285 243 N C -0.754 174.769 175.510 0.022 0.000 1.027 243 N CA -0.390 52.671 53.050 0.017 0.000 0.918 243 N CB 2.914 41.411 38.487 0.016 0.000 1.152 243 N HN 0.157 nan 8.380 nan 0.000 0.485 244 V N 1.745 121.675 119.914 0.027 0.000 2.409 244 V HA 0.486 4.606 4.120 0.001 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 1.355 33.205 31.823 0.045 0.000 0.990 244 V HN 0.845 nan 8.190 nan 0.000 0.430 245 T N 1.939 116.516 114.554 0.038 0.000 2.900 245 T HA 0.638 4.989 4.350 0.001 0.000 0.295 245 T C -0.731 173.994 174.700 0.041 0.000 1.044 245 T CA -0.810 61.311 62.100 0.036 0.000 0.995 245 T CB 2.254 71.138 68.868 0.027 0.000 1.072 245 T HN 0.489 nan 8.240 nan 0.000 0.473 246 Q N 1.925 121.748 119.800 0.039 0.000 2.907 246 Q HA 0.257 4.598 4.340 0.001 0.000 0.262 246 Q C -1.677 174.336 176.000 0.022 0.000 0.997 246 Q CA -2.078 53.747 55.803 0.038 0.000 0.797 246 Q CB 1.523 30.290 28.738 0.049 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 0.453 32.161 31.700 0.014 0.000 0.787 248 E N -0.339 119.865 120.200 0.006 0.000 2.451 248 E HA 0.376 4.727 4.350 0.001 0.000 0.194 248 E C 0.893 177.485 176.600 -0.013 0.000 1.027 248 E CA -0.007 56.392 56.400 -0.001 0.000 0.914 248 E CB 0.064 29.765 29.700 0.002 0.000 1.054 248 E HN 0.274 nan 8.360 nan 0.000 0.461 249 G N 0.726 109.517 108.800 -0.016 0.000 2.698 249 G HA2 -0.233 3.728 3.960 0.001 0.000 0.225 249 G HA3 -0.233 3.728 3.960 0.001 0.000 0.225 249 G C -0.167 174.698 174.900 -0.057 0.000 1.345 249 G CA -0.508 44.565 45.100 -0.045 0.000 0.871 249 G HN 0.437 nan 8.290 nan 0.000 0.540 250 V N -2.612 117.213 119.914 -0.149 0.000 2.975 250 V HA 0.874 4.994 4.120 0.001 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 -0.560 0.000 1.066 250 V HN 2.361 nan 8.190 nan 0.000 0.452 251 S N 1.647 117.362 115.700 0.026 0.000 2.528 251 S HA 0.186 4.657 4.470 0.001 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 62.565 63.200 0.185 0.000 0.776 251 S HN 1.060 nan 8.310 nan 0.000 0.526 252 F N 1.235 121.340 119.950 0.259 0.000 2.378 252 F HA 0.758 5.286 4.527 0.001 0.000 0.325 252 F C -0.157 175.683 175.800 0.067 0.000 1.097 252 F CA -1.270 56.868 58.000 0.231 0.000 1.079 252 F CB 0.789 39.898 39.000 0.182 0.000 1.240 252 F HN -0.079 nan 8.300 nan 0.000 0.519 253 K N 4.019 124.562 120.400 0.239 0.000 2.471 253 K HA 0.463 4.784 4.320 0.001 0.000 0.252 253 K C -1.627 175.017 176.600 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 2.638 122.262 119.600 0.040 0.000 2.364 254 M HA 0.265 4.746 4.480 0.001 0.000 0.334 254 M C -0.641 175.657 176.300 -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 0.525 4.876 4.350 0.001 0.000 0.384 255 T C 0.540 175.260 174.700 0.034 0.000 1.351 255 T CA 0.315 62.432 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 3.753 112.578 108.800 0.041 0.000 2.523 256 G HA2 -0.286 3.675 3.960 0.001 0.000 0.271 256 G HA3 -0.286 3.675 3.960 0.001 0.000 0.271 256 G C 0.665 175.548 174.900 -0.028 0.000 1.146 256 G CA -0.124 45.002 45.100 0.043 0.000 0.961 256 G HN 0.521 nan 8.290 nan 0.000 0.549 257 N N 0.575 119.222 118.700 -0.088 0.000 2.336 257 N HA 0.189 4.930 4.740 0.001 0.000 0.189 257 N C 0.490 175.772 175.510 -0.379 0.000 1.113 257 N CA 0.648 53.529 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 2.277 122.070 119.914 -0.201 0.000 2.461 258 V HA 0.214 4.335 4.120 0.001 0.000 0.275 258 V C 0.254 176.182 176.094 -0.276 0.000 1.047 258 V CA -0.490 61.697 62.300 -0.189 0.000 0.955 258 V CB 1.299 33.127 31.823 0.008 0.000 0.988 258 V HN 0.094 nan 8.190 nan 0.000 0.471 259 M N 5.256 124.550 119.600 -0.511 0.000 2.404 259 M HA 0.544 5.025 4.480 0.001 0.000 0.338 259 M C -0.634 175.402 176.300 -0.441 0.000 1.150 259 M CA 0.150 55.082 55.300 -0.613 0.000 1.016 259 M CB 1.470 33.337 32.600 -1.221 0.000 1.672 259 M HN 0.651 nan 8.290 nan 0.000 0.448 260 E N 3.499 123.597 120.200 -0.170 0.000 2.241 260 E HA 0.485 4.836 4.350 0.001 0.000 0.263 260 E C -2.275 174.431 176.600 0.176 0.000 0.882 260 E CA -0.303 56.091 56.400 -0.010 0.000 0.769 260 E CB 1.779 31.479 29.700 -0.001 0.000 1.185 260 E HN 0.761 nan 8.360 nan 0.000 0.415 261 W N 2.599 123.908 121.300 0.014 0.000 3.827 261 W HA 0.193 4.853 4.660 0.001 0.000 0.307 261 W C -0.301 176.309 176.519 0.152 0.000 1.204 261 W CA -0.405 57.000 57.345 0.101 0.000 1.250 261 W CB 1.468 30.994 29.460 0.111 0.000 1.281 261 W HN 0.441 nan 8.180 nan 0.000 0.494 262 S N 5.029 120.309 115.700 -0.700 0.000 3.491 262 S HA -0.327 4.143 4.470 0.001 0.000 0.371 262 S C 0.853 175.160 174.600 -0.489 0.000 0.980 262 S CA 2.006 59.741 58.200 -0.775 0.000 1.204 262 S CB -1.321 60.955 63.200 -1.540 0.000 0.915 262 S HN 0.998 nan 8.310 nan 0.000 0.482 263 N N -2.399 116.041 118.700 -0.433 0.000 2.967 263 N HA -0.173 4.567 4.740 0.001 0.000 0.218 263 N C -0.181 175.001 175.510 -0.546 0.000 0.870 263 N CA 1.738 54.389 53.050 -0.667 0.000 1.030 263 N CB -1.468 36.211 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 0.001 0.000 0.337 264 F C 0.932 176.810 175.800 0.129 0.000 1.112 264 F CA 0.207 58.320 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 4.232 124.882 120.400 0.415 0.000 2.535 265 K HA 0.585 4.905 4.320 0.001 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 -0.245 119.723 119.950 0.030 0.000 2.741 266 F HA 0.399 4.926 4.527 0.001 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 0.995 39.979 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 0.094 0.000 2.476 267 H HA 0.530 5.087 4.556 0.001 0.000 0.328 267 H C -1.129 174.192 175.328 -0.012 0.000 1.073 267 H CA -0.627 55.359 56.048 -0.104 0.000 1.229 267 H CB 1.462 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 5.643 125.944 120.570 -0.449 0.000 2.281 268 I HA 0.210 4.380 4.170 0.001 0.000 0.293 268 I C 1.044 176.982 176.117 -0.298 0.000 1.085 268 I CA -0.288 60.877 61.300 -0.225 0.000 1.257 268 I CB 0.856 38.757 38.000 -0.165 0.000 1.430 268 I HN 0.537 nan 8.210 nan 0.000 0.489 269 G N 5.256 114.050 108.800 -0.009 0.000 2.552 269 G HA2 0.701 4.662 3.960 0.001 0.000 0.318 269 G HA3 0.701 4.662 3.960 0.001 0.000 0.318 269 G C -1.501 173.525 174.900 0.210 0.000 1.240 269 G CA -0.321 44.869 45.100 0.150 0.000 1.002 269 G HN 0.394 nan 8.290 nan 0.000 0.493 270 F N 0.520 120.501 119.950 0.052 0.000 2.672 270 F HA 0.475 5.002 4.527 0.001 0.000 0.311 270 F C -1.203 174.674 175.800 0.129 0.000 1.113 270 F CA -0.918 57.121 58.000 0.065 0.000 0.996 270 F CB 2.108 41.142 39.000 0.057 0.000 1.286 270 F HN 0.811 nan 8.300 nan 0.000 0.441 271 N N 2.166 120.764 118.700 -0.170 0.000 2.610 271 N HA 0.229 4.970 4.740 0.001 0.000 0.264 271 N C 0.115 175.557 175.510 -0.113 0.000 1.348 271 N CA -0.489 52.626 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 -0.200 0.000 2.241 272 Y HA -0.035 4.516 4.550 0.001 0.000 0.286 272 Y C 2.096 177.525 175.900 -0.786 0.000 1.166 272 Y CA 1.571 59.137 58.100 -0.889 0.000 1.203 272 Y CB -0.423 37.121 38.460 -1.527 0.000 0.977 272 Y HN 0.659 nan 8.280 nan 0.000 0.529 273 R N 0.374 119.927 120.500 -1.579 0.000 2.051 273 R HA 0.039 4.380 4.340 0.001 0.000 0.218 273 R C 2.005 177.854 176.300 -0.753 0.000 1.188 273 R CA 1.190 56.489 56.100 -1.335 0.000 0.992 273 R CB -0.034 29.254 30.300 -1.687 0.000 0.883 273 R HN 0.464 nan 8.270 nan 0.000 0.444 274 E N -0.306 119.560 120.200 -0.556 0.000 2.435 274 E HA 0.141 4.491 4.350 0.001 0.000 0.195 274 E C 0.879 177.246 176.600 -0.388 0.000 1.029 274 E CA 0.336 56.532 56.400 -0.340 0.000 0.865 274 E CB 0.464 30.064 29.700 -0.166 0.000 0.833 274 E HN 0.568 nan 8.360 nan 0.000 0.510 275 G N 2.077 110.479 108.800 -0.663 0.000 2.523 275 G HA2 -0.344 3.617 3.960 0.001 0.000 0.271 275 G HA3 -0.344 3.617 3.960 0.001 0.000 0.271 275 G C 0.098 174.427 174.900 -0.952 0.000 1.146 275 G CA -0.146 44.336 45.100 -1.030 0.000 0.961 275 G HN 0.195 nan 8.290 nan 0.000 0.549 276 I N 1.155 121.545 120.570 -0.300 0.000 2.618 276 I HA 0.355 4.526 4.170 0.001 0.000 0.284 276 I C 0.274 176.259 176.117 -0.221 0.000 1.146 276 I CA 0.030 61.299 61.300 -0.052 0.000 1.425 276 I CB 0.944 39.005 38.000 0.102 0.000 1.383 276 I HN 0.316 nan 8.210 nan 0.000 0.562 277 V N 7.865 127.660 119.914 -0.199 0.000 2.447 277 V HA 0.332 4.452 4.120 0.001 0.000 0.292 277 V C -0.087 175.864 176.094 -0.238 0.000 1.021 277 V CA -0.548 61.600 62.300 -0.252 0.000 0.850 277 V CB 1.586 33.320 31.823 -0.148 0.000 1.005 277 V HN 0.447 nan 8.190 nan 0.000 0.426 278 L N 4.225 125.209 121.223 -0.398 0.000 2.265 278 L HA 0.637 4.978 4.340 0.001 0.000 0.288 278 L C 0.287 177.057 176.870 -0.167 0.000 1.058 278 L CA 0.230 54.917 54.840 -0.254 0.000 0.809 278 L CB 1.398 43.198 42.059 -0.432 0.000 1.179 278 L HN 0.616 nan 8.230 nan 0.000 0.429 279 S N 0.693 116.373 115.700 -0.033 0.000 2.671 279 S HA 0.282 4.753 4.470 0.001 0.000 0.299 279 S C -0.453 174.151 174.600 0.006 0.000 1.116 279 S CA -0.619 57.499 58.200 -0.136 0.000 0.912 279 S CB 1.718 64.738 63.200 -0.299 0.000 1.130 279 S HN 0.753 nan 8.310 nan 0.000 0.501 280 D N 0.980 121.336 120.400 -0.073 0.000 2.740 280 D HA -0.144 4.496 4.640 0.001 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 0.153 0.000 0.673 280 D CB -1.162 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 1.222 121.266 119.914 0.216 0.000 2.432 281 V HA 0.561 4.682 4.120 0.001 0.000 0.271 281 V C 0.870 177.100 176.094 0.228 0.000 1.046 281 V CA 0.261 62.726 62.300 0.274 0.000 0.945 281 V CB 1.425 33.388 31.823 0.233 0.000 0.992 281 V HN 0.493 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 0.772 5.243 4.470 0.001 0.000 0.283 282 S C -1.357 173.439 174.600 0.327 0.000 1.127 282 S CA -0.816 57.538 58.200 0.258 0.000 0.863 282 S CB 2.030 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 1.618 121.994 120.300 0.127 0.000 2.391 283 Y HA 0.519 5.070 4.550 0.001 0.000 0.341 283 Y C -0.477 175.465 175.900 0.070 0.000 0.965 283 Y CA -0.788 57.331 58.100 0.032 0.000 1.067 283 Y CB 1.614 40.089 38.460 0.025 0.000 1.199 283 Y HN 0.851 nan 8.280 nan 0.000 0.450 284 N N 4.930 123.404 118.700 -0.377 0.000 2.508 284 N HA 0.003 4.744 4.740 0.001 0.000 0.253 284 N C -1.101 174.331 175.510 -0.129 0.000 1.145 284 N CA 0.103 53.032 53.050 -0.203 0.000 0.973 284 N CB 0.085 38.411 38.487 -0.268 0.000 1.305 284 N HN 0.668 nan 8.380 nan 0.000 0.506 285 D N 2.486 123.024 120.400 0.230 0.000 2.508 285 D HA 0.036 4.676 4.640 0.001 0.000 0.224 285 D C -0.357 176.044 176.300 0.168 0.000 1.171 285 D CA -0.013 54.196 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 1.663 120.792 119.070 0.099 0.000 2.506 286 H HA -0.208 4.348 4.556 0.001 0.000 0.323 286 H C 1.500 176.842 175.328 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 0.016 108.852 108.800 0.061 0.000 2.308 287 G HA2 -0.350 3.610 3.960 0.001 0.000 0.221 287 G HA3 -0.350 3.610 3.960 0.001 0.000 0.221 287 G C 0.307 175.229 174.900 0.038 0.000 1.032 287 G CA 0.052 45.177 45.100 0.042 0.000 0.623 287 G HN 0.745 nan 8.290 nan 0.000 0.506 288 N N 0.844 119.582 118.700 0.064 0.000 2.439 288 N HA 0.408 5.149 4.740 0.001 0.000 0.243 288 N C -0.025 175.528 175.510 0.072 0.000 1.088 288 N CA -0.312 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 4.993 124.937 119.914 0.050 0.000 2.387 289 V HA 0.172 4.292 4.120 0.001 0.000 0.260 289 V C 0.358 176.507 176.094 0.092 0.000 1.054 289 V CA -0.113 62.228 62.300 0.067 0.000 0.967 289 V CB 0.027 31.874 31.823 0.040 0.000 1.036 289 V HN 0.615 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 4.802 4.340 0.001 0.000 0.317 290 R C -2.752 173.673 176.300 0.208 0.000 0.968 290 R CA -1.857 54.345 56.100 0.169 0.000 0.849 290 R CB 1.448 31.862 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 0.015 63.183 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 -0.261 120.239 120.570 -0.117 0.000 3.674 292 I HA 0.209 4.380 4.170 0.001 0.000 0.248 292 I C -0.051 175.690 176.117 -0.626 0.000 1.134 292 I CA 0.444 61.402 61.300 -0.570 0.000 1.519 292 I CB 0.204 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 -0.165 119.737 119.950 -0.081 0.000 2.563 293 F HA 0.366 4.894 4.527 0.001 0.000 0.316 293 F C 1.025 176.828 175.800 0.005 0.000 1.076 293 F CA -0.904 57.051 58.000 -0.074 0.000 0.921 293 F CB 0.788 39.697 39.000 -0.151 0.000 1.209 293 F HN -0.022 nan 8.300 nan 0.000 0.462 294 H N 1.224 120.366 119.070 0.121 0.000 2.465 294 H HA 0.303 4.860 4.556 0.001 0.000 0.289 294 H C 0.089 175.400 175.328 -0.029 0.000 1.022 294 H CA 0.755 56.818 56.048 0.024 0.000 1.340 294 H CB 0.593 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 0.521 120.946 120.500 -0.126 0.000 2.579 295 R HA 0.371 4.712 4.340 0.001 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 2.638 123.016 120.570 -0.321 0.000 2.692 296 I HA 0.649 4.820 4.170 0.001 0.000 0.293 296 I C -1.559 174.291 176.117 -0.445 0.000 1.200 296 I CA -0.096 60.966 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 6.070 121.628 115.700 -0.238 0.000 2.663 297 S HA 0.488 4.959 4.470 0.001 0.000 0.264 297 S C -1.732 172.977 174.600 0.183 0.000 1.112 297 S CA -1.087 57.058 58.200 -0.091 0.000 0.823 297 S CB 0.881 63.985 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 0.501 4.842 4.340 0.001 0.000 0.286 298 L C 1.228 178.145 176.870 0.078 0.000 1.061 298 L CA -0.153 54.807 54.840 0.201 0.000 0.807 298 L CB 1.688 43.889 42.059 0.237 0.000 1.177 298 L HN 1.020 nan 8.230 nan 0.000 0.429 299 S N 0.670 116.402 115.700 0.053 0.000 2.502 299 S HA 0.218 4.688 4.470 0.001 0.000 0.215 299 S C 0.287 174.881 174.600 -0.011 0.000 1.009 299 S CA -0.209 58.049 58.200 0.098 0.000 0.908 299 S CB 0.510 63.829 63.200 0.198 0.000 0.801 299 S HN 0.655 nan 8.310 nan 0.000 0.505 300 E N -0.676 119.407 120.200 -0.195 0.000 2.403 300 E HA 0.663 5.014 4.350 0.001 0.000 0.280 300 E C -1.771 174.633 176.600 -0.326 0.000 1.101 300 E CA -0.391 55.824 56.400 -0.309 0.000 0.856 300 E CB 1.144 30.547 29.700 -0.494 0.000 1.303 300 E HN 0.308 nan 8.360 nan 0.000 0.441 301 M N 1.501 121.018 119.600 -0.138 0.000 2.683 301 M HA 0.656 5.137 4.480 0.001 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 2.555 34.979 32.600 -0.294 0.000 1.708 301 M HN 0.569 nan 8.290 nan 0.000 0.463 302 I N 0.891 121.510 120.570 0.081 0.000 2.685 302 I HA 0.391 4.562 4.170 0.001 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 8.980 128.875 119.914 -0.031 0.000 2.235 303 V HA 0.353 4.473 4.120 0.001 0.000 0.266 303 V C -2.224 173.884 176.094 0.022 0.000 1.055 303 V CA -1.260 61.000 62.300 -0.066 0.000 0.844 303 V CB 0.660 32.449 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 -0.143 177.184 177.300 0.044 0.000 1.274 304 P CA 0.186 63.310 63.100 0.041 0.000 0.770 304 P CB 1.673 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 0.532 4.852 4.320 0.001 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 18.904 19.000 0.077 0.000 1.042 305 A HN 0.587 nan 8.150 nan 0.000 0.489 306 G N -0.153 108.625 108.800 -0.037 0.000 3.393 306 G HA2 0.326 4.287 3.960 0.001 0.000 0.255 306 G HA3 0.326 4.287 3.960 0.001 0.000 0.255 306 G C 0.482 175.221 174.900 -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 1.418 116.875 115.700 -0.406 0.000 2.475 307 S HA 0.442 4.913 4.470 0.001 0.000 0.281 307 S C -0.932 173.334 174.600 -0.557 0.000 1.198 307 S CA -1.364 56.462 58.200 -0.624 0.000 1.063 307 S CB 1.806 64.469 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 -0.319 176.841 177.300 -0.233 0.000 1.229 308 P CA 0.138 62.960 63.100 -0.463 0.000 0.788 308 P CB 0.131 31.494 31.700 -0.561 0.000 1.072 309 E N 0.128 120.233 120.200 -0.158 0.000 2.354 309 E HA 0.157 4.508 4.350 0.001 0.000 0.269 309 E C -0.433 176.123 176.600 -0.074 0.000 1.036 309 E CA -0.782 55.616 56.400 -0.003 0.000 0.876 309 E CB 0.503 30.275 29.700 0.120 0.000 1.009 309 E HN 0.046 nan 8.360 nan 0.000 0.416 310 F N 4.646 124.481 119.950 -0.191 0.000 2.529 310 F HA 0.083 4.610 4.527 0.001 0.000 0.365 310 F C -1.366 174.142 175.800 -0.487 0.000 1.102 310 F CA -1.501 56.343 58.000 -0.259 0.000 1.271 310 F CB 0.867 39.781 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 -0.134 176.704 177.300 -0.770 0.000 1.737 311 P CA 0.254 62.563 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 0.098 118.925 119.070 -0.405 0.000 2.561 312 H HA -0.095 4.462 4.556 0.002 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 -0.305 0.000 1.211 312 H CB -0.177 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 0.001 0.000 0.203 313 Q C 1.495 177.544 176.000 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 0.928 121.411 120.500 -0.030 0.000 2.346 314 R HA 0.071 4.412 4.340 0.001 0.000 0.199 314 R C -0.129 176.185 176.300 0.023 0.000 1.015 314 R CA 0.329 56.443 56.100 0.023 0.000 1.058 314 R CB 0.065 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 1.819 122.280 120.400 0.102 0.000 2.354 315 K HA 0.108 4.429 4.320 0.001 0.000 0.257 315 K C -0.451 176.322 176.600 0.288 0.000 1.062 315 K CA -0.193 56.196 56.287 0.170 0.000 0.971 315 K CB 0.660 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 4.723 4.556 0.001 0.000 0.204 316 H C -0.849 174.542 175.328 0.104 0.000 1.262 316 H CA -0.698 55.414 56.048 0.107 0.000 1.350 316 H CB -0.707 29.064 29.762 0.014 0.000 2.400 316 H HN 0.402 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 0.303 4.624 4.320 0.001 0.000 0.243 317 A C 0.262 177.826 177.584 -0.033 0.000 1.063 317 A CA -0.186 51.825 52.037 -0.043 0.000 0.757 317 A CB 0.109 19.034 19.000 -0.125 0.000 0.991 317 A HN 0.481 nan 8.150 nan 0.000 0.503 318 L N 3.659 124.838 121.223 -0.074 0.000 2.475 318 L HA 0.193 4.534 4.340 0.001 0.000 0.253 318 L C 0.754 177.538 176.870 -0.144 0.000 1.137 318 L CA -0.067 54.751 54.840 -0.037 0.000 1.058 318 L CB 0.480 42.556 42.059 0.029 0.000 1.382 318 L HN 0.760 nan 8.230 nan 0.000 0.416 319 D N 1.295 121.638 120.400 -0.096 0.000 2.133 319 D HA -0.254 4.387 4.640 0.001 0.000 0.192 319 D C 2.040 178.243 176.300 -0.162 0.000 1.001 319 D CA 1.745 55.726 54.000 -0.031 0.000 0.844 319 D CB 0.292 41.135 40.800 0.072 0.000 0.944 319 D HN 0.490 nan 8.370 nan 0.000 0.447 320 I N 0.912 121.345 120.570 -0.228 0.000 2.179 320 I HA -0.173 3.997 4.170 0.001 0.000 0.242 320 I C 2.564 178.459 176.117 -0.369 0.000 1.088 320 I CA 1.484 62.585 61.300 -0.332 0.000 1.357 320 I CB -0.314 37.514 38.000 -0.287 0.000 1.051 320 I HN 0.020 nan 8.210 nan 0.000 0.409 321 G N -0.443 108.177 108.800 -0.301 0.000 2.551 321 G HA2 -0.084 3.877 3.960 0.001 0.000 0.216 321 G HA3 -0.084 3.877 3.960 0.001 0.000 0.216 321 G C 1.423 176.168 174.900 -0.259 0.000 1.137 321 G CA 0.121 45.036 45.100 -0.308 0.000 0.798 321 G HN 0.391 nan 8.290 nan 0.000 0.536 322 E N -1.316 118.678 120.200 -0.343 0.000 2.431 322 E HA 0.138 4.489 4.350 0.001 0.000 0.200 322 E C 0.857 177.081 176.600 -0.627 0.000 0.995 322 E CA 0.261 56.357 56.400 -0.508 0.000 0.915 322 E CB 0.356 29.627 29.700 -0.715 0.000 0.930 322 E HN 0.553 nan 8.360 nan 0.000 0.496 323 Y N -0.488 119.763 120.300 -0.082 0.000 2.640 323 Y HA 0.337 4.888 4.550 0.001 0.000 0.274 323 Y C 0.776 176.648 175.900 -0.047 0.000 1.164 323 Y CA 0.249 58.325 58.100 -0.040 0.000 1.189 323 Y CB 1.043 39.458 38.460 -0.075 0.000 1.333 323 Y HN -0.047 nan 8.280 nan 0.000 0.494 324 G N 0.779 109.507 108.800 -0.120 0.000 3.421 324 G HA2 0.154 4.115 3.960 0.001 0.000 0.686 324 G HA3 0.154 4.115 3.960 0.001 0.000 0.686 324 G C 0.567 175.190 174.900 -0.461 0.000 1.056 324 G CA -0.277 44.601 45.100 -0.371 0.000 0.891 324 G HN 0.636 nan 8.290 nan 0.000 0.514 325 A N 1.220 123.631 122.820 -0.680 0.000 2.172 325 A HA 0.407 4.728 4.320 0.001 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 -1.453 107.126 108.800 -0.369 0.000 2.471 326 G HA2 -0.009 3.952 3.960 0.001 0.000 0.211 326 G HA3 -0.009 3.952 3.960 0.001 0.000 0.211 326 G C 1.326 176.334 174.900 0.181 0.000 1.194 326 G CA 0.661 45.744 45.100 -0.027 0.000 0.816 326 G HN 0.383 nan 8.290 nan 0.000 0.545 327 Y N 0.498 120.633 120.300 -0.275 0.000 2.241 327 Y HA 0.008 4.559 4.550 0.001 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 38.215 38.460 -0.204 0.000 0.977 327 Y HN 0.101 nan 8.280 nan 0.000 0.529 328 M N -0.932 118.779 119.600 0.186 0.000 2.431 328 M HA 0.073 4.554 4.480 0.001 0.000 0.237 328 M C 0.650 177.127 176.300 0.295 0.000 1.130 328 M CA 0.181 55.599 55.300 0.196 0.000 1.002 328 M CB -1.015 31.673 32.600 0.145 0.000 1.524 328 M HN -0.092 nan 8.290 nan 0.000 0.482 329 T N 2.574 117.330 114.554 0.336 0.000 2.930 329 T HA 0.108 4.458 4.350 0.001 0.000 0.306 329 T C 0.378 175.244 174.700 0.277 0.000 1.045 329 T CA 0.018 62.346 62.100 0.381 0.000 1.134 329 T CB 0.394 69.549 68.868 0.479 0.000 0.961 329 T HN 0.244 nan 8.240 nan 0.000 0.545 330 N N 5.049 123.885 118.700 0.227 0.000 2.518 330 N HA 0.338 5.079 4.740 0.001 0.000 0.283 330 N C -2.658 172.913 175.510 0.102 0.000 1.119 330 N CA -1.800 51.336 53.050 0.144 0.000 0.983 330 N CB 0.896 39.448 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 62.791 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 2.517 123.738 121.223 -0.003 0.000 2.492 332 L HA -0.024 4.317 4.340 0.001 0.000 0.223 332 L C 2.219 179.086 176.870 -0.004 0.000 1.132 332 L CA 1.271 56.140 54.840 0.048 0.000 0.850 332 L CB -1.669 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 -0.186 115.392 115.700 -0.202 0.000 2.363 333 S HA -0.182 4.289 4.470 0.001 0.000 0.218 333 S C 2.057 176.616 174.600 -0.069 0.000 1.035 333 S CA 1.410 59.467 58.200 -0.238 0.000 1.043 333 S CB -0.215 62.762 63.200 -0.371 0.000 0.986 333 S HN 0.338 nan 8.310 nan 0.000 0.423 334 L N 0.813 122.000 121.223 -0.060 0.000 1.978 334 L HA -0.159 4.182 4.340 0.001 0.000 0.218 334 L C 2.817 179.691 176.870 0.006 0.000 1.075 334 L CA 1.684 56.512 54.840 -0.020 0.000 0.767 334 L CB -1.515 40.537 42.059 -0.012 0.000 0.890 334 L HN 0.567 nan 8.230 nan 0.000 0.434 335 G N -1.528 107.281 108.800 0.014 0.000 2.537 335 G HA2 -0.244 3.716 3.960 0.001 0.000 0.220 335 G HA3 -0.244 3.716 3.960 0.001 0.000 0.220 335 G C 0.952 175.867 174.900 0.024 0.000 1.111 335 G CA 0.722 45.836 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 4.299 4.460 0.001 0.000 0.292 336 C C 1.450 176.460 174.990 0.034 0.000 1.366 336 C CA 0.087 59.125 59.018 0.033 0.000 1.987 336 C CB -2.484 25.269 27.740 0.022 0.000 1.241 336 C HN 0.630 nan 8.230 nan 0.000 0.788 337 D N 0.023 120.453 120.400 0.049 0.000 2.144 337 D HA -0.009 4.631 4.640 0.001 0.000 0.199 337 D C 0.837 177.172 176.300 0.059 0.000 0.984 337 D CA 1.561 55.596 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 1.232 120.552 119.300 0.033 0.000 2.298 338 C HA 0.512 4.973 4.460 0.001 0.000 0.323 338 C C 0.108 175.018 174.990 -0.134 0.000 1.284 338 C CA -1.628 57.334 59.018 -0.092 0.000 1.577 338 C CB 0.665 28.304 27.740 -0.169 0.000 2.249 338 C HN 0.066 nan 8.230 nan 0.000 0.497 339 K N 2.069 122.371 120.400 -0.163 0.000 2.156 339 K HA 0.644 4.965 4.320 0.001 0.000 0.271 339 K C 0.602 177.136 176.600 -0.110 0.000 0.995 339 K CA 0.788 57.022 56.287 -0.088 0.000 0.890 339 K CB 1.067 33.556 32.500 -0.018 0.000 1.073 339 K HN 1.190 nan 8.250 nan 0.000 0.454 340 G N 0.782 109.560 108.800 -0.037 0.000 2.428 340 G HA2 -0.200 3.761 3.960 0.001 0.000 0.202 340 G HA3 -0.200 3.761 3.960 0.001 0.000 0.202 340 G C -1.155 173.754 174.900 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 2.262 122.216 119.914 0.067 0.000 2.326 341 V HA 0.346 4.466 4.120 0.001 0.000 0.249 341 V C 0.665 176.820 176.094 0.102 0.000 1.114 341 V CA -0.374 61.971 62.300 0.075 0.000 1.028 341 V CB 0.005 31.877 31.823 0.083 0.000 1.170 341 V HN 0.541 nan 8.190 nan 0.000 0.494 342 I N 3.779 124.351 120.570 0.004 0.000 2.577 342 I HA 0.434 4.605 4.170 0.001 0.000 0.300 342 I C 0.147 176.206 176.117 -0.096 0.000 0.990 342 I CA -0.260 60.962 61.300 -0.130 0.000 1.283 342 I CB 1.016 38.738 38.000 -0.463 0.000 1.411 342 I HN 0.516 nan 8.210 nan 0.000 0.515 343 H N 5.446 124.385 119.070 -0.217 0.000 2.609 343 H HA 0.445 5.001 4.556 0.001 0.000 0.344 343 H C -1.682 173.480 175.328 -0.277 0.000 1.040 343 H CA -0.361 55.635 56.048 -0.085 0.000 1.216 343 H CB 1.179 31.035 29.762 0.156 0.000 1.529 343 H HN 0.383 nan 8.280 nan 0.000 0.519 344 Y N 3.307 123.656 120.300 0.082 0.000 2.567 344 Y HA 0.484 5.035 4.550 0.001 0.000 0.333 344 Y C -0.011 175.935 175.900 0.076 0.000 1.106 344 Y CA -0.803 57.340 58.100 0.073 0.000 1.157 344 Y CB 1.811 40.257 38.460 -0.024 0.000 1.277 344 Y HN 0.384 nan 8.280 nan 0.000 0.490 345 L N 1.545 122.879 121.223 0.185 0.000 2.388 345 L HA 0.489 4.829 4.340 0.001 0.000 0.264 345 L C -1.247 175.561 176.870 -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 44.198 42.059 -0.023 0.000 1.338 345 L HN 0.566 nan 8.230 nan 0.000 0.414 346 D N 0.856 121.149 120.400 -0.178 0.000 2.326 346 D HA 0.715 5.356 4.640 0.001 0.000 0.248 346 D C -0.502 175.434 176.300 -0.607 0.000 1.001 346 D CA -0.204 53.585 54.000 -0.351 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 0.797 123.134 122.820 -0.804 0.000 2.374 347 A HA 0.651 4.972 4.320 0.001 0.000 0.317 347 A C -1.067 175.788 177.584 -1.215 0.000 1.094 347 A CA -0.631 50.854 52.037 -0.921 0.000 0.765 347 A CB 1.175 19.662 19.000 -0.855 0.000 1.268 347 A HN 0.572 nan 8.150 nan 0.000 0.438 348 H N 0.793 119.512 119.070 -0.586 0.000 2.667 348 H HA 0.654 5.211 4.556 0.001 0.000 0.353 348 H C -1.493 173.606 175.328 -0.381 0.000 1.072 348 H CA -0.184 55.596 56.048 -0.446 0.000 1.214 348 H CB 1.412 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 -0.194 119.918 119.950 0.270 0.000 2.764 349 F HA 0.466 4.993 4.527 0.001 0.000 0.347 349 F C 0.700 176.609 175.800 0.181 0.000 1.151 349 F CA -1.034 57.129 58.000 0.272 0.000 1.021 349 F CB 1.003 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 -0.424 115.508 115.700 0.387 0.000 2.578 350 S HA 0.628 5.099 4.470 0.001 0.000 0.301 350 S C -1.278 173.421 174.600 0.166 0.000 1.091 350 S CA -0.662 57.643 58.200 0.175 0.000 1.032 350 S CB 0.879 64.118 63.200 0.066 0.000 1.064 350 S HN 0.601 nan 8.310 nan 0.000 0.508 351 D N 1.424 121.879 120.400 0.092 0.000 2.487 351 D HA 0.340 4.981 4.640 0.001 0.000 0.262 351 D C 1.128 177.491 176.300 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 41.125 40.800 0.059 0.000 1.142 351 D HN 0.522 nan 8.370 nan 0.000 0.575 352 R N -0.462 120.093 120.500 0.093 0.000 2.133 352 R HA -0.206 4.134 4.340 0.001 0.000 0.247 352 R C 1.750 178.177 176.300 0.212 0.000 1.151 352 R CA 1.759 57.939 56.100 0.132 0.000 0.971 352 R CB -0.594 29.747 30.300 0.067 0.000 0.866 352 R HN 0.577 nan 8.270 nan 0.000 0.447 353 A N -0.821 122.084 122.820 0.141 0.000 2.167 353 A HA 0.138 4.458 4.320 0.001 0.000 0.214 353 A C 1.438 179.086 177.584 0.107 0.000 1.151 353 A CA 1.067 53.188 52.037 0.139 0.000 0.735 353 A CB -0.115 18.926 19.000 0.068 0.000 0.802 353 A HN 0.610 nan 8.150 nan 0.000 0.467 354 G N -0.976 107.807 108.800 -0.028 0.000 2.144 354 G HA2 -0.151 3.809 3.960 0.001 0.000 0.218 354 G HA3 -0.151 3.809 3.960 0.001 0.000 0.218 354 G C -0.496 174.246 174.900 -0.262 0.000 0.988 354 G CA 0.109 44.923 45.100 -0.477 0.000 0.659 354 G HN 0.463 nan 8.290 nan 0.000 0.522 355 D N 1.227 121.568 120.400 -0.099 0.000 2.177 355 D HA 0.460 5.101 4.640 0.001 0.000 0.247 355 D C -2.473 173.819 176.300 -0.013 0.000 1.063 355 D CA -1.290 52.677 54.000 -0.054 0.000 0.867 355 D CB 1.696 42.485 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 -0.415 176.924 177.300 0.065 0.000 1.193 356 P CA 0.127 63.247 63.100 0.034 0.000 0.765 356 P CB 0.423 32.119 31.700 -0.008 0.000 0.823 357 I N -0.870 119.771 120.570 0.117 0.000 2.646 357 I HA 0.679 4.850 4.170 0.001 0.000 0.299 357 I C -0.659 175.510 176.117 0.086 0.000 1.036 357 I CA -0.673 60.695 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 0.064 nan 8.210 nan 0.000 0.430 358 T N 3.988 118.572 114.554 0.050 0.000 2.876 358 T HA 0.503 4.854 4.350 0.001 0.000 0.289 358 T C -0.748 173.894 174.700 -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 71.117 68.868 0.065 0.000 1.021 358 T HN 0.654 nan 8.240 nan 0.000 0.458 359 V N 3.001 122.782 119.914 -0.222 0.000 2.407 359 V HA 0.562 4.683 4.120 0.001 0.000 0.291 359 V C -0.384 175.596 176.094 -0.189 0.000 1.018 359 V CA -0.858 61.371 62.300 -0.118 0.000 0.842 359 V CB 1.073 32.896 31.823 -0.001 0.000 0.996 359 V HN 0.692 nan 8.190 nan 0.000 0.426 360 K N 4.568 124.889 120.400 -0.132 0.000 2.350 360 K HA 0.235 4.555 4.320 0.001 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 0.210 32.636 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 4.480 4.740 0.001 0.000 0.256 361 N C 0.397 175.882 175.510 -0.041 0.000 1.031 361 N CA 0.343 53.309 53.050 -0.141 0.000 0.730 361 N CB -0.724 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 0.001 0.000 0.216 362 A C 0.891 178.459 177.584 -0.027 0.000 1.170 362 A CA 1.056 53.014 52.037 -0.131 0.000 0.645 362 A CB 0.644 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 -0.267 119.632 119.914 -0.025 0.000 2.555 363 V HA 0.432 4.553 4.120 0.001 0.000 0.302 363 V C -0.224 175.956 176.094 0.142 0.000 1.038 363 V CA -0.736 61.611 62.300 0.078 0.000 0.887 363 V CB 1.095 32.938 31.823 0.033 0.000 0.991 363 V HN 0.566 nan 8.190 nan 0.000 0.434 364 C N 5.596 124.960 119.300 0.107 0.000 2.455 364 C HA 0.876 5.337 4.460 0.001 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 -0.051 27.663 27.740 -0.043 0.000 2.200 364 C HN 0.785 nan 8.230 nan 0.000 0.491 365 I N 6.257 126.776 120.570 -0.084 0.000 2.509 365 I HA 0.672 4.843 4.170 0.001 0.000 0.293 365 I C -0.244 175.852 176.117 -0.036 0.000 1.020 365 I CA -0.063 61.166 61.300 -0.118 0.000 1.088 365 I CB 1.827 39.647 38.000 -0.301 0.000 1.267 365 I HN 0.991 nan 8.210 nan 0.000 0.430 366 H N 4.033 122.914 119.070 -0.315 0.000 2.935 366 H HA 0.411 4.968 4.556 0.001 0.000 0.297 366 H C -2.074 173.153 175.328 -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 30.977 29.762 -0.006 0.000 1.841 366 H HN 0.644 nan 8.280 nan 0.000 0.506 367 E N 1.046 121.224 120.200 -0.036 0.000 2.244 367 E HA 0.594 4.945 4.350 0.001 0.000 0.266 367 E C -1.009 175.589 176.600 -0.003 0.000 0.914 367 E CA -0.873 55.445 56.400 -0.138 0.000 0.794 367 E CB 3.032 32.795 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 4.596 4.350 0.001 0.000 0.279 368 E C -1.222 175.412 176.600 0.057 0.000 1.018 368 E CA -1.023 55.405 56.400 0.048 0.000 0.816 368 E CB 1.230 30.962 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 4.655 4.640 0.001 0.000 0.242 369 D C -0.752 175.567 176.300 0.032 0.000 1.129 369 D CA 0.389 54.421 54.000 0.053 0.000 0.885 369 D CB 1.030 41.855 40.800 0.042 0.000 1.198 369 D HN 0.499 nan 8.370 nan 0.000 0.437 370 D N 1.924 122.344 120.400 0.034 0.000 2.819 370 D HA 0.316 4.957 4.640 0.001 0.000 0.326 370 D C 0.531 176.836 176.300 0.009 0.000 1.408 370 D CA 0.373 54.384 54.000 0.017 0.000 0.811 370 D CB -0.092 40.727 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 3.709 3.960 0.001 0.000 0.242 371 G HA3 -0.252 3.709 3.960 0.001 0.000 0.242 371 G C -0.382 174.506 174.900 -0.020 0.000 1.277 371 G CA -0.235 44.861 45.100 -0.007 0.000 0.910 371 G HN 0.301 nan 8.290 nan 0.000 0.576 372 L N 0.505 121.712 121.223 -0.025 0.000 2.349 372 L HA 0.409 4.750 4.340 0.001 0.000 0.275 372 L C 1.699 178.528 176.870 -0.069 0.000 1.115 372 L CA -0.692 54.117 54.840 -0.052 0.000 0.820 372 L CB 1.203 43.246 42.059 -0.026 0.000 1.135 372 L HN 0.578 nan 8.230 nan 0.000 0.445 373 L N 4.061 125.168 121.223 -0.193 0.000 2.168 373 L HA 0.254 4.595 4.340 0.001 0.000 0.203 373 L C -0.175 176.628 176.870 -0.111 0.000 1.078 373 L CA 1.294 55.994 54.840 -0.233 0.000 0.780 373 L CB 0.198 41.948 42.059 -0.515 0.000 0.939 373 L HN 0.584 nan 8.230 nan 0.000 0.451 374 F N -2.645 117.326 119.950 0.036 0.000 2.769 374 F HA 0.547 5.074 4.527 0.001 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 0.405 39.423 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 0.654 4.975 4.320 0.001 0.000 0.273 375 K C -2.525 174.229 176.600 0.257 0.000 0.951 375 K CA -0.890 55.548 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 -0.011 119.126 119.070 0.112 0.000 3.129 376 H HA 0.438 4.995 4.556 0.001 0.000 0.342 376 H C -1.990 173.395 175.328 0.094 0.000 1.092 376 H CA -0.245 55.851 56.048 0.081 0.000 1.310 376 H CB 1.854 31.659 29.762 0.071 0.000 1.932 376 H HN 0.531 nan 8.280 nan 0.000 0.507 377 S N 3.110 118.394 115.700 -0.693 0.000 2.568 377 S HA 0.261 4.732 4.470 0.001 0.000 0.293 377 S C -1.276 173.136 174.600 -0.314 0.000 1.089 377 S CA -0.897 57.115 58.200 -0.313 0.000 0.945 377 S CB 1.685 64.843 63.200 -0.071 0.000 1.077 377 S HN 0.666 nan 8.310 nan 0.000 0.485 378 D N 1.401 121.798 120.400 -0.004 0.000 2.274 378 D HA 0.253 4.893 4.640 0.001 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 0.605 41.357 40.800 -0.080 0.000 1.100 378 D HN 0.429 nan 8.370 nan 0.000 0.477 379 F N 3.646 123.641 119.950 0.076 0.000 2.365 379 F HA 0.039 4.567 4.527 0.002 0.000 0.300 379 F C 1.830 177.483 175.800 -0.246 0.000 1.090 379 F CA 0.385 58.237 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 0.984 120.879 120.500 -1.008 0.000 2.117 380 R HA -0.173 4.168 4.340 0.001 0.000 0.243 380 R C 0.497 176.622 176.300 -0.293 0.000 1.143 380 R CA 1.742 57.455 56.100 -0.646 0.000 0.968 380 R CB -0.786 29.156 30.300 -0.597 0.000 0.863 380 R HN 0.551 nan 8.270 nan 0.000 0.444 381 D N -1.584 118.667 120.400 -0.247 0.000 2.892 381 D HA 0.090 4.731 4.640 0.001 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 40.281 40.800 -0.095 0.000 1.093 381 D HN -0.028 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 4.470 4.740 0.001 0.000 0.249 382 N C -0.719 174.553 175.510 -0.396 0.000 1.048 382 N CA 0.660 53.414 53.050 -0.494 0.000 0.714 382 N CB -1.097 37.244 38.487 -0.242 0.000 0.959 382 N HN 0.272 nan 8.380 nan 0.000 0.544 383 F N -5.486 114.467 119.950 0.005 0.000 2.884 383 F HA -0.320 4.207 4.527 0.001 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 -1.069 121.822 122.820 0.119 0.000 1.898 384 A HA -0.006 4.315 4.320 0.001 0.000 0.216 384 A C 1.465 179.125 177.584 0.127 0.000 1.181 384 A CA 1.858 53.963 52.037 0.112 0.000 0.620 384 A CB -0.466 18.563 19.000 0.049 0.000 0.819 384 A HN 0.342 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 4.792 4.350 0.001 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 3.470 119.238 115.700 0.112 0.000 2.543 386 S HA 0.682 5.153 4.470 0.001 0.000 0.274 386 S C -1.902 172.780 174.600 0.137 0.000 1.149 386 S CA -0.890 57.394 58.200 0.139 0.000 0.866 386 S CB 1.077 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 3.869 125.183 121.223 0.152 0.000 2.436 387 L HA 0.903 5.243 4.340 0.001 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 1.842 43.992 42.059 0.152 0.000 1.291 387 L HN 0.566 nan 8.230 nan 0.000 0.406 388 V N 2.802 122.829 119.914 0.187 0.000 2.623 388 V HA 0.547 4.667 4.120 0.001 0.000 0.304 388 V C -0.560 175.557 176.094 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 4.822 119.298 114.554 -0.130 0.000 2.809 389 T HA 0.483 4.834 4.350 0.001 0.000 0.284 389 T C -0.120 174.392 174.700 -0.313 0.000 0.992 389 T CA -0.628 61.301 62.100 -0.285 0.000 0.957 389 T CB 1.219 69.725 68.868 -0.604 0.000 0.942 389 T HN 0.522 nan 8.240 nan 0.000 0.439 390 R N 1.513 121.916 120.500 -0.162 0.000 2.490 390 R HA 0.661 5.002 4.340 0.001 0.000 0.278 390 R C 0.109 176.344 176.300 -0.108 0.000 1.069 390 R CA -0.518 55.517 56.100 -0.110 0.000 1.080 390 R CB 0.827 31.104 30.300 -0.039 0.000 1.030 390 R HN 0.684 nan 8.270 nan 0.000 0.491 391 A N 1.300 124.082 122.820 -0.063 0.000 2.306 391 A HA 0.423 4.744 4.320 0.001 0.000 0.314 391 A C -0.121 177.508 177.584 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 0.866 115.520 114.554 0.167 0.000 2.893 392 T HA 0.617 4.968 4.350 0.001 0.000 0.293 392 T C -0.723 174.216 174.700 0.399 0.000 1.027 392 T CA -0.752 61.493 62.100 0.242 0.000 0.988 392 T CB 0.874 69.903 68.868 0.269 0.000 1.043 392 T HN 0.882 nan 8.240 nan 0.000 0.461 393 K N 3.795 124.318 120.400 0.204 0.000 2.267 393 K HA 0.687 5.008 4.320 0.001 0.000 0.246 393 K C -1.139 175.229 176.600 -0.387 0.000 0.954 393 K CA -1.227 55.082 56.287 0.037 0.000 0.824 393 K CB 1.902 34.393 32.500 -0.014 0.000 1.167 393 K HN 0.484 nan 8.250 nan 0.000 0.431 394 L N 3.061 123.766 121.223 -0.863 0.000 2.296 394 L HA 0.432 4.772 4.340 0.001 0.000 0.286 394 L C -1.362 175.217 176.870 -0.486 0.000 1.023 394 L CA -0.824 53.389 54.840 -1.045 0.000 0.812 394 L CB 1.695 42.706 42.059 -1.746 0.000 1.223 394 L HN 0.573 nan 8.230 nan 0.000 0.421 395 V N 5.719 125.357 119.914 -0.461 0.000 2.444 395 V HA 0.393 4.514 4.120 0.001 0.000 0.294 395 V C -0.140 175.903 176.094 -0.085 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 -0.256 0.000 0.992 395 V HN 0.490 nan 8.190 nan 0.000 0.426 396 V N 3.928 123.901 119.914 0.099 0.000 2.334 396 V HA 0.598 4.719 4.120 0.001 0.000 0.281 396 V C 0.166 176.401 176.094 0.235 0.000 1.016 396 V CA -0.004 62.381 62.300 0.143 0.000 0.832 396 V CB 1.445 33.385 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 5.339 4.470 0.001 0.000 0.296 397 S C -0.937 173.714 174.600 0.086 0.000 1.104 397 S CA -0.555 57.685 58.200 0.066 0.000 0.920 397 S CB 2.043 65.230 63.200 -0.022 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 5.036 4.340 0.001 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 1.313 30.249 28.738 0.330 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 0.488 4.659 4.170 0.001 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 0.064 0.000 1.049 399 I CB 1.555 39.558 38.000 0.003 0.000 1.232 399 I HN 0.696 nan 8.210 nan 0.000 0.429 400 F N 3.005 123.034 119.950 0.132 0.000 2.561 400 F HA 0.786 5.314 4.527 0.002 0.000 0.321 400 F C -0.527 175.363 175.800 0.151 0.000 1.065 400 F CA -0.795 57.295 58.000 0.150 0.000 0.934 400 F CB 1.535 40.631 39.000 0.159 0.000 1.215 400 F HN 0.139 nan 8.300 nan 0.000 0.471 401 T N 2.482 117.253 114.554 0.362 0.000 2.771 401 T HA 0.669 5.020 4.350 0.001 0.000 0.281 401 T C -0.351 174.506 174.700 0.262 0.000 0.982 401 T CA -0.411 61.812 62.100 0.207 0.000 0.978 401 T CB 1.147 70.085 68.868 0.116 0.000 0.930 401 T HN 0.901 nan 8.240 nan 0.000 0.447 402 A N 2.881 125.829 122.820 0.213 0.000 2.786 402 A HA 0.758 5.079 4.320 0.001 0.000 0.346 402 A C 1.130 178.666 177.584 -0.081 0.000 1.265 402 A CA 0.068 52.153 52.037 0.080 0.000 0.858 402 A CB -0.928 18.233 19.000 0.269 0.000 1.118 402 A HN 1.458 nan 8.150 nan 0.000 0.482 403 A N 1.856 124.617 122.820 -0.098 0.000 5.002 403 A HA -0.298 4.023 4.320 0.001 0.000 0.326 403 A C 0.973 178.583 177.584 0.044 0.000 1.875 403 A CA 1.566 53.596 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 1.558 nan 8.150 nan 0.000 0.378 407 Y N 0.122 120.094 120.300 -0.546 0.000 2.328 407 Y HA 0.367 4.918 4.550 0.001 0.000 0.336 407 Y C -0.036 175.604 175.900 -0.433 0.000 0.960 407 Y CA -0.729 57.034 58.100 -0.561 0.000 1.134 407 Y CB 1.460 39.349 38.460 -0.953 0.000 1.166 407 Y HN 0.485 nan 8.280 nan 0.000 0.464 408 C N 5.818 125.031 119.300 -0.145 0.000 2.239 408 C HA 0.551 5.012 4.460 0.001 0.000 0.325 408 C C 0.019 174.847 174.990 -0.270 0.000 1.231 408 C CA -1.195 57.714 59.018 -0.183 0.000 1.652 408 C CB -1.258 26.482 27.740 0.000 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 4.844 4.340 0.001 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 42.574 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 4.853 4.550 0.001 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 1.046 39.429 38.460 -0.128 0.000 1.117 410 Y HN 0.464 nan 8.280 nan 0.000 0.463 411 W N 3.629 124.943 121.300 0.022 0.000 2.331 411 W HA 0.648 5.309 4.660 0.002 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 5.197 125.074 119.914 -0.061 0.000 2.444 412 V HA 0.411 4.532 4.120 0.001 0.000 0.294 412 V C -0.605 175.340 176.094 -0.249 0.000 1.022 412 V CA -1.136 61.105 62.300 -0.098 0.000 0.850 412 V CB 0.678 32.442 31.823 -0.099 0.000 0.992 412 V HN 0.202 nan 8.190 nan 0.000 0.426 413 F N 4.502 124.314 119.950 -0.230 0.000 2.421 413 F HA 0.716 5.243 4.527 0.001 0.000 0.337 413 F C 0.367 176.248 175.800 0.134 0.000 1.105 413 F CA -0.471 57.402 58.000 -0.212 0.000 1.049 413 F CB 1.642 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 1.986 121.892 119.600 0.510 0.000 2.664 414 M HA 0.314 4.795 4.480 0.001 0.000 0.314 414 M C 0.557 177.263 176.300 0.677 0.000 1.200 414 M CA -0.624 55.010 55.300 0.556 0.000 0.916 414 M CB 2.126 34.899 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 4.247 4.340 0.001 0.000 0.212 415 Q C 0.194 176.297 176.000 0.173 0.000 0.970 415 Q CA 0.585 56.541 55.803 0.256 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 -1.690 118.825 120.400 0.192 0.000 2.395 416 D HA 0.080 4.720 4.640 0.001 0.000 0.213 416 D C 1.096 177.421 176.300 0.042 0.000 1.110 416 D CA 0.519 54.569 54.000 0.084 0.000 0.835 416 D CB 0.468 41.332 40.800 0.106 0.000 0.965 416 D HN 0.196 nan 8.370 nan 0.000 0.505 417 G N 0.039 108.952 108.800 0.189 0.000 2.175 417 G HA2 -0.157 3.803 3.960 0.001 0.000 0.244 417 G HA3 -0.157 3.803 3.960 0.001 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 0.370 0.000 2.322 418 A HA 0.806 5.126 4.320 0.001 0.000 0.269 418 A C 0.178 177.889 177.584 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 19.631 19.000 0.126 0.000 1.047 418 A HN 0.795 nan 8.150 nan 0.000 0.487 419 I N 0.911 121.528 120.570 0.079 0.000 2.465 419 I HA 0.495 4.666 4.170 0.001 0.000 0.291 419 I C 0.137 176.153 176.117 -0.168 0.000 1.014 419 I CA -0.403 60.751 61.300 -0.243 0.000 1.093 419 I CB 1.900 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 6.438 126.800 120.500 -0.230 0.000 2.750 420 R HA 0.645 4.986 4.340 0.001 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 32.492 30.300 -0.139 0.000 1.187 420 R HN 0.615 nan 8.270 nan 0.000 0.464 421 L N 4.070 125.094 121.223 -0.331 0.000 2.319 421 L HA 0.465 4.806 4.340 0.001 0.000 0.281 421 L C -1.508 175.139 176.870 -0.372 0.000 1.005 421 L CA -0.631 53.900 54.840 -0.515 0.000 0.828 421 L CB 1.638 43.255 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 5.225 4.640 0.001 0.000 0.246 422 D C -0.390 175.876 176.300 -0.057 0.000 1.027 422 D CA -0.022 53.889 54.000 -0.148 0.000 0.853 422 D CB 2.861 43.580 40.800 -0.137 0.000 1.243 422 D HN 0.366 nan 8.370 nan 0.000 0.462 423 I N 1.269 121.803 120.570 -0.061 0.000 2.647 423 I HA 0.383 4.554 4.170 0.001 0.000 0.295 423 I C -0.164 175.951 176.117 -0.005 0.000 1.078 423 I CA -0.772 60.498 61.300 -0.050 0.000 1.048 423 I CB 2.237 40.093 38.000 -0.239 0.000 1.239 423 I HN -0.054 nan 8.210 nan 0.000 0.421 424 R N 6.054 126.581 120.500 0.045 0.000 2.476 424 R HA 0.611 4.952 4.340 0.001 0.000 0.305 424 R C -1.357 174.883 176.300 -0.100 0.000 0.965 424 R CA -0.828 55.264 56.100 -0.012 0.000 0.867 424 R CB 2.182 32.511 30.300 0.048 0.000 1.176 424 R HN 0.482 nan 8.270 nan 0.000 0.447 425 L N 2.107 123.228 121.223 -0.170 0.000 2.292 425 L HA 0.499 4.840 4.340 0.001 0.000 0.284 425 L C 0.607 177.313 176.870 -0.273 0.000 1.065 425 L CA -0.143 54.506 54.840 -0.318 0.000 0.806 425 L CB 1.576 43.403 42.059 -0.387 0.000 1.175 425 L HN 0.655 nan 8.230 nan 0.000 0.431 426 T N 0.898 115.260 114.554 -0.320 0.000 2.612 426 T HA 0.797 5.148 4.350 0.001 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 1.493 70.243 68.868 -0.197 0.000 1.591 426 T HN 1.012 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 3.948 3.960 0.001 0.000 0.212 427 G HA3 -0.013 3.948 3.960 0.001 0.000 0.212 427 G C -1.172 173.575 174.900 -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 4.630 4.170 0.001 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 4.412 125.610 121.223 -0.040 0.000 2.485 429 L HA 0.046 4.387 4.340 0.001 0.000 0.275 429 L C 0.876 177.712 176.870 -0.057 0.000 1.207 429 L CA 0.248 55.093 54.840 0.008 0.000 0.855 429 L CB -0.022 42.107 42.059 0.116 0.000 1.114 429 L HN 0.673 nan 8.230 nan 0.000 0.485 430 N N 1.749 120.417 118.700 -0.055 0.000 2.420 430 N HA 0.082 4.822 4.740 0.001 0.000 0.262 430 N C -0.714 174.835 175.510 0.064 0.000 1.144 430 N CA -0.402 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 1.013 115.695 114.554 0.214 0.000 2.912 431 T HA 0.374 4.725 4.350 0.001 0.000 0.288 431 T C -0.926 173.880 174.700 0.177 0.000 1.030 431 T CA -0.704 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 1.246 121.435 120.300 -0.184 0.000 2.602 432 Y HA 0.676 5.227 4.550 0.001 0.000 0.342 432 Y C -0.601 175.215 175.900 -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 -0.347 0.000 1.284 432 Y HN 0.965 nan 8.280 nan 0.000 0.485 433 I N 4.002 123.896 120.570 -1.128 0.000 2.638 433 I HA 0.270 4.441 4.170 0.001 0.000 0.286 433 I C -1.325 174.506 176.117 -0.477 0.000 1.088 433 I CA -0.391 60.487 61.300 -0.703 0.000 1.397 433 I CB 0.604 38.208 38.000 -0.660 0.000 1.414 433 I HN 0.584 nan 8.210 nan 0.000 0.566 434 L N 7.376 128.456 121.223 -0.238 0.000 2.381 434 L HA 0.627 4.968 4.340 0.001 0.000 0.274 434 L C 0.082 176.903 176.870 -0.082 0.000 0.988 434 L CA -0.103 54.671 54.840 -0.110 0.000 0.824 434 L CB 1.459 43.466 42.059 -0.085 0.000 1.263 434 L HN 0.631 nan 8.230 nan 0.000 0.410 435 G N 2.600 111.379 108.800 -0.035 0.000 2.614 435 G HA2 0.057 4.018 3.960 0.001 0.000 0.239 435 G HA3 0.057 4.018 3.960 0.001 0.000 0.239 435 G C 0.445 175.333 174.900 -0.019 0.000 1.240 435 G CA -0.115 44.973 45.100 -0.020 0.000 0.842 435 G HN 0.808 nan 8.290 nan 0.000 0.584 436 D N 0.200 120.594 120.400 -0.009 0.000 2.133 436 D HA -0.110 4.531 4.640 0.001 0.000 0.195 436 D C 0.979 177.273 176.300 -0.009 0.000 0.997 436 D CA 1.363 55.361 54.000 -0.003 0.000 0.840 436 D CB 0.266 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 4.668 4.640 0.001 0.000 0.221 437 D C 0.268 176.568 176.300 0.000 0.000 1.173 437 D CA -0.080 53.917 54.000 -0.004 0.000 0.831 437 D CB 0.565 41.365 40.800 -0.001 0.000 1.001 437 D HN 0.287 nan 8.370 nan 0.000 0.499 438 E N 1.667 121.870 120.200 0.004 0.000 2.338 438 E HA 0.065 4.416 4.350 0.001 0.000 0.272 438 E C -0.292 176.315 176.600 0.011 0.000 1.029 438 E CA -0.406 56.006 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 2.932 123.142 120.200 0.016 0.000 2.229 439 E HA 0.200 4.550 4.350 0.001 0.000 0.283 439 E C -0.155 176.456 176.600 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 0.246 4.567 4.320 0.001 0.000 0.207 440 A C 1.340 178.939 177.584 0.025 0.000 1.196 440 A CA 0.797 52.862 52.037 0.048 0.000 0.778 440 A CB -1.498 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 0.202 108.972 108.800 -0.050 0.000 2.566 441 G HA2 -0.289 3.672 3.960 0.001 0.000 0.308 441 G HA3 -0.289 3.672 3.960 0.001 0.000 0.308 441 G C -0.794 173.930 174.900 -0.294 0.000 1.317 441 G CA 0.279 45.260 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 1.117 178.220 177.300 -0.327 0.000 1.203 442 P CA 1.358 64.108 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 0.677 122.016 121.300 0.064 0.000 3.139 443 W HA 0.366 5.028 4.660 0.002 0.000 0.260 443 W C 1.064 177.661 176.519 0.129 0.000 1.312 443 W CA -0.116 57.266 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 -0.577 108.402 108.800 0.299 0.000 2.606 444 G HA2 0.518 4.479 3.960 0.001 0.000 0.300 444 G HA3 0.518 4.479 3.960 0.001 0.000 0.300 444 G C -1.463 173.521 174.900 0.139 0.000 1.360 444 G CA -0.640 44.622 45.100 0.270 0.000 0.783 444 G HN -0.287 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 4.846 4.350 0.001 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 1.956 70.852 68.868 0.048 0.000 0.996 445 T HN 0.575 nan 8.240 nan 0.000 0.448 446 R N 2.685 123.165 120.500 -0.033 0.000 2.272 446 R HA 0.317 4.658 4.340 0.001 0.000 0.334 446 R C 0.932 177.185 176.300 -0.079 0.000 1.117 446 R CA -0.230 55.826 56.100 -0.073 0.000 0.966 446 R CB -0.193 30.067 30.300 -0.067 0.000 1.049 446 R HN 0.573 nan 8.270 nan 0.000 0.477 447 V N 2.126 121.957 119.914 -0.139 0.000 3.647 447 V HA 0.301 4.422 4.120 0.001 0.000 0.279 447 V C -0.390 175.685 176.094 -0.032 0.000 1.314 447 V CA -0.080 62.150 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 -0.875 119.269 120.300 -0.261 0.000 2.598 448 Y HA 0.522 5.073 4.550 0.001 0.000 0.333 448 Y C -3.172 172.584 175.900 -0.240 0.000 1.196 448 Y CA -2.046 55.944 58.100 -0.184 0.000 1.145 448 Y CB 1.484 39.851 38.460 -0.155 0.000 1.349 448 Y HN -0.094 nan 8.280 nan 0.000 0.469 449 P HA 0.077 nan 4.420 nan 0.000 0.261 449 P C -0.453 176.583 177.300 -0.439 0.000 1.173 449 P CA 1.266 63.948 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 -0.430 118.118 118.700 -0.253 0.000 2.828 450 N HA -0.134 4.607 4.740 0.001 0.000 0.248 450 N C -0.781 174.633 175.510 -0.159 0.000 1.044 450 N CA 0.761 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 1.234 121.053 119.914 -0.158 0.000 2.409 451 V HA 0.326 4.446 4.120 0.001 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 3.162 121.758 118.700 -0.173 0.000 2.476 452 N HA 0.638 5.379 4.740 0.001 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 3.559 126.287 122.820 -0.153 0.000 2.294 453 A HA 0.259 4.580 4.320 0.001 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 2.089 121.177 119.070 0.031 0.000 2.771 454 H HA 0.072 4.629 4.556 0.001 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 2.668 121.536 118.700 0.281 0.000 2.453 455 N HA 0.028 4.769 4.740 0.001 0.000 0.253 455 N C -0.198 175.364 175.510 0.087 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 0.140 0.000 1.117 455 N HN 0.700 nan 8.380 nan 0.000 0.442 456 H N -2.066 116.906 119.070 -0.164 0.000 3.024 456 H HA 0.309 4.865 4.556 0.001 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 0.830 30.513 29.762 -0.132 0.000 1.889 456 H HN 0.416 nan 8.280 nan 0.000 0.528 457 Q N 0.680 120.372 119.800 -0.179 0.000 2.297 457 Q HA 0.388 4.729 4.340 0.001 0.000 0.268 457 Q C -0.757 175.134 176.000 -0.183 0.000 1.045 457 Q CA -1.010 54.693 55.803 -0.167 0.000 0.861 457 Q CB 2.380 31.052 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 0.001 0.000 0.310 458 H C -0.980 174.241 175.328 -0.179 0.000 1.004 458 H CA -0.228 55.806 56.048 -0.023 0.000 1.267 458 H CB 0.698 30.565 29.762 0.176 0.000 1.437 458 H HN 0.360 nan 8.280 nan 0.000 0.498 459 L N 4.103 125.169 121.223 -0.261 0.000 2.346 459 L HA 0.449 4.790 4.340 0.001 0.000 0.276 459 L C -0.748 175.883 176.870 -0.397 0.000 1.006 459 L CA -0.762 53.966 54.840 -0.186 0.000 0.817 459 L CB 1.287 43.329 42.059 -0.028 0.000 1.272 459 L HN 0.298 nan 8.230 nan 0.000 0.421 460 F N 0.202 120.012 119.950 -0.233 0.000 2.538 460 F HA 0.449 4.977 4.527 0.001 0.000 0.325 460 F C 0.418 176.120 175.800 -0.163 0.000 1.066 460 F CA -0.812 57.001 58.000 -0.311 0.000 0.946 460 F CB 2.107 40.680 39.000 -0.712 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 -0.097 0.000 2.577 461 S HA 0.394 4.864 4.470 0.001 0.000 0.294 461 S C -0.864 173.813 174.600 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 62.630 63.200 -0.890 0.000 0.991 461 S HN 0.634 nan 8.310 nan 0.000 0.475 462 L N 5.691 127.108 121.223 0.323 0.000 2.418 462 L HA 0.395 4.736 4.340 0.001 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 0.410 42.634 42.059 0.275 0.000 1.154 462 L HN 0.656 nan 8.230 nan 0.000 0.462 463 R N 6.416 126.847 120.500 -0.115 0.000 2.265 463 R HA 0.523 4.864 4.340 0.001 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 0.799 30.741 30.300 -0.598 0.000 1.139 463 R HN 0.638 nan 8.270 nan 0.000 0.457 464 I N 3.763 124.102 120.570 -0.386 0.000 2.382 464 I HA 0.167 4.337 4.170 0.001 0.000 0.286 464 I C -0.645 175.338 176.117 -0.223 0.000 1.002 464 I CA -0.768 60.322 61.300 -0.350 0.000 1.135 464 I CB 1.850 39.608 38.000 -0.404 0.000 1.288 464 I HN 0.532 nan 8.210 nan 0.000 0.448 465 D N 9.747 130.049 120.400 -0.163 0.000 2.473 465 D HA 0.314 4.955 4.640 0.001 0.000 0.226 465 D C -2.511 173.829 176.300 0.067 0.000 1.089 465 D CA -2.091 51.903 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 -0.494 176.887 177.300 0.135 0.000 1.252 466 P CA -0.616 62.626 63.100 0.237 0.000 0.811 466 P CB 1.365 33.192 31.700 0.211 0.000 1.035 467 R N 2.038 122.609 120.500 0.118 0.000 2.583 467 R HA 0.260 4.601 4.340 0.001 0.000 0.282 467 R C -0.156 176.166 176.300 0.036 0.000 1.288 467 R CA -0.353 55.780 56.100 0.055 0.000 1.415 467 R CB -0.169 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 2.579 123.179 120.570 0.051 0.000 2.792 468 I HA -0.059 4.112 4.170 0.001 0.000 0.284 468 I C 0.509 176.722 176.117 0.160 0.000 1.166 468 I CA 1.000 62.367 61.300 0.112 0.000 1.375 468 I CB -0.330 37.779 38.000 0.181 0.000 1.421 468 I HN 0.620 nan 8.210 nan 0.000 0.544 469 D N 5.050 125.587 120.400 0.228 0.000 2.751 469 D HA -0.151 4.490 4.640 0.001 0.000 0.233 469 D C 0.570 176.885 176.300 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 40.068 40.800 -0.117 0.000 1.068 469 D HN 1.207 nan 8.370 nan 0.000 0.429 470 G N -1.002 107.823 108.800 0.041 0.000 2.362 470 G HA2 -0.015 3.946 3.960 0.001 0.000 0.517 470 G HA3 -0.015 3.946 3.960 0.001 0.000 0.517 470 G C -1.109 173.796 174.900 0.007 0.000 1.256 470 G CA -0.258 44.852 45.100 0.016 0.000 1.027 470 G HN 0.216 nan 8.290 nan 0.000 0.491 471 D N 0.629 121.023 120.400 -0.009 0.000 2.283 471 D HA 0.538 5.178 4.640 0.001 0.000 0.248 471 D C 0.787 177.075 176.300 -0.020 0.000 1.072 471 D CA 1.281 55.267 54.000 -0.023 0.000 0.929 471 D CB 1.279 42.058 40.800 -0.036 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 3.800 3.960 0.001 0.000 0.298 472 G HA3 -0.161 3.800 3.960 0.001 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 -0.321 118.342 118.700 -0.061 0.000 2.453 473 N HA 0.884 5.625 4.740 0.001 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 2.181 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 5.395 4.470 0.001 0.000 0.279 474 S C -1.274 173.050 174.600 -0.461 0.000 1.148 474 S CA -0.697 57.187 58.200 -0.528 0.000 0.837 474 S CB 2.040 64.706 63.200 -0.890 0.000 1.138 474 S HN 0.714 nan 8.310 nan 0.000 0.478 475 A N 0.347 123.123 122.820 -0.073 0.000 2.454 475 A HA 1.004 5.325 4.320 0.001 0.000 0.302 475 A C -1.026 176.557 177.584 -0.002 0.000 1.079 475 A CA -0.558 51.612 52.037 0.222 0.000 0.731 475 A CB 1.562 20.890 19.000 0.548 0.000 1.299 475 A HN 1.427 nan 8.150 nan 0.000 0.413 476 A N -0.145 122.649 122.820 -0.044 0.000 2.594 476 A HA 0.864 5.185 4.320 0.001 0.000 0.295 476 A C -0.338 177.100 177.584 -0.244 0.000 1.071 476 A CA 0.040 51.778 52.037 -0.499 0.000 0.685 476 A CB 0.981 19.951 19.000 -0.049 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 -0.289 0.000 2.310 477 A HA 0.602 4.922 4.320 0.001 0.000 0.299 477 A C -0.322 177.176 177.584 -0.144 0.000 1.147 477 A CA -0.304 51.679 52.037 -0.090 0.000 0.818 477 A CB 0.179 19.265 19.000 0.144 0.000 1.096 477 A HN 1.270 nan 8.150 nan 0.000 0.495 478 C N 2.468 121.636 119.300 -0.220 0.000 2.316 478 C HA 0.556 5.017 4.460 0.001 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 0.087 27.768 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 5.152 4.640 0.001 0.000 0.247 479 D C -0.203 175.979 176.300 -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 42.898 40.800 -0.151 0.000 1.247 479 D HN 0.650 nan 8.370 nan 0.000 0.489 480 A N 2.782 125.493 122.820 -0.181 0.000 2.401 480 A HA 0.452 4.772 4.320 0.001 0.000 0.259 480 A C 0.128 177.563 177.584 -0.249 0.000 1.103 480 A CA -0.018 51.903 52.037 -0.193 0.000 0.789 480 A CB 0.470 19.366 19.000 -0.174 0.000 1.035 480 A HN 0.468 nan 8.150 nan 0.000 0.491 481 K N 1.393 121.599 120.400 -0.324 0.000 2.527 481 K HA 0.423 4.744 4.320 0.001 0.000 0.260 481 K C -0.751 175.821 176.600 -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 34.550 32.500 -0.387 0.000 1.359 481 K HN 0.660 nan 8.250 nan 0.000 0.434 482 S N 0.818 116.557 115.700 0.065 0.000 2.585 482 S HA 0.036 4.507 4.470 0.001 0.000 0.273 482 S C 0.220 175.011 174.600 0.318 0.000 1.339 482 S CA -0.355 57.964 58.200 0.198 0.000 1.028 482 S CB 1.180 64.454 63.200 0.123 0.000 0.906 482 S HN 0.589 nan 8.310 nan 0.000 0.528 483 S N 2.745 118.655 115.700 0.349 0.000 2.558 483 S HA 0.094 4.565 4.470 0.001 0.000 0.288 483 S C -1.146 173.586 174.600 0.220 0.000 1.318 483 S CA -1.096 57.301 58.200 0.329 0.000 1.056 483 S CB 0.343 63.708 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 -0.120 0.000 0.814 485 Y N 2.806 123.130 120.300 0.040 0.000 2.497 485 Y HA 0.147 4.698 4.550 0.001 0.000 0.334 485 Y C -1.247 174.672 175.900 0.031 0.000 1.199 485 Y CA -2.096 56.019 58.100 0.024 0.000 1.425 485 Y CB -0.467 38.000 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 -0.457 176.894 177.300 0.085 0.000 1.252 486 P CA -0.523 62.631 63.100 0.091 0.000 0.802 486 P CB 1.200 32.934 31.700 0.056 0.000 1.035 487 L N 0.960 122.217 121.223 0.056 0.000 2.525 487 L HA 0.094 4.435 4.340 0.001 0.000 0.278 487 L C 1.442 178.311 176.870 -0.001 0.000 1.218 487 L CA 1.888 56.748 54.840 0.032 0.000 0.878 487 L CB -0.736 41.340 42.059 0.028 0.000 1.127 487 L HN 0.910 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 -0.286 3.675 3.960 0.001 0.000 0.253 488 G HA3 -0.286 3.675 3.960 0.001 0.000 0.253 488 G C 0.270 175.139 174.900 -0.052 0.000 0.979 488 G CA 0.385 45.436 45.100 -0.081 0.000 0.641 488 G HN 0.953 nan 8.290 nan 0.000 0.530 489 S N 0.019 115.713 115.700 -0.010 0.000 2.617 489 S HA 0.649 5.120 4.470 0.001 0.000 0.269 489 S C -0.948 173.629 174.600 -0.038 0.000 1.292 489 S CA -0.678 57.529 58.200 0.011 0.000 1.010 489 S CB 2.302 65.563 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 64.168 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 -1.729 118.354 120.200 -0.195 0.000 2.285 491 E HA -0.043 4.307 4.350 0.001 0.000 0.194 491 E C 0.790 177.312 176.600 -0.129 0.000 0.997 491 E CA 0.720 56.938 56.400 -0.305 0.000 0.845 491 E CB -0.397 28.775 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 0.001 0.000 0.287 492 N C 0.267 175.799 175.510 0.036 0.000 1.817 492 N CA -0.043 53.041 53.050 0.056 0.000 0.842 492 N CB 0.033 38.598 38.487 0.131 0.000 1.353 492 N HN -0.080 nan 8.380 nan 0.000 0.500 493 M N 0.268 119.859 119.600 -0.015 0.000 2.103 493 M HA -0.151 4.330 4.480 0.001 0.000 0.255 493 M C 0.184 176.297 176.300 -0.312 0.000 1.074 493 M CA 2.083 57.266 55.300 -0.195 0.000 1.090 493 M CB -0.352 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 -0.800 119.515 120.300 0.025 0.000 2.485 494 Y HA 0.467 5.017 4.550 0.001 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 0.422 nan 8.280 nan 0.000 0.524 495 G N 1.746 110.641 108.800 0.157 0.000 2.258 495 G HA2 -0.391 3.569 3.960 0.001 0.000 0.274 495 G HA3 -0.391 3.569 3.960 0.001 0.000 0.274 495 G C 0.877 175.872 174.900 0.158 0.000 1.021 495 G CA 0.838 46.020 45.100 0.138 0.000 0.798 495 G HN 0.599 nan 8.290 nan 0.000 0.507 496 N N -0.355 118.452 118.700 0.177 0.000 2.236 496 N HA 0.388 5.129 4.740 0.001 0.000 0.196 496 N C 0.975 176.618 175.510 0.223 0.000 1.114 496 N CA 0.615 53.777 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 0.908 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 4.773 4.320 0.001 0.000 0.249 497 A C -0.492 177.273 177.584 0.302 0.000 1.083 497 A CA -0.250 51.882 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 0.977 121.016 119.950 0.148 0.000 2.654 498 F HA 0.735 5.263 4.527 0.002 0.000 0.308 498 F C -1.046 174.890 175.800 0.226 0.000 1.108 498 F CA -1.466 56.639 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 -0.106 120.367 120.300 0.288 0.000 2.805 499 Y HA 0.819 5.370 4.550 0.001 0.000 0.323 499 Y C -1.323 174.693 175.900 0.193 0.000 1.279 499 Y CA -1.752 56.435 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 0.499 116.224 115.700 0.043 0.000 2.456 500 S HA 0.325 4.795 4.470 0.001 0.000 0.316 500 S C -1.106 173.471 174.600 -0.040 0.000 1.089 500 S CA -0.580 57.572 58.200 -0.080 0.000 1.101 500 S CB 0.402 63.617 63.200 0.025 0.000 0.995 500 S HN 0.730 nan 8.310 nan 0.000 0.468 501 E N 3.847 123.936 120.200 -0.186 0.000 2.167 501 E HA 0.257 4.608 4.350 0.001 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 3.574 123.989 120.400 0.025 0.000 2.263 502 K HA 0.230 4.551 4.320 0.001 0.000 0.272 502 K C -1.226 175.371 176.600 -0.004 0.000 1.033 502 K CA -0.393 55.877 56.287 -0.029 0.000 0.884 502 K CB 1.185 33.637 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 4.424 4.350 0.001 0.000 0.321 503 T C -0.285 174.392 174.700 -0.039 0.000 1.075 503 T CA -0.473 61.653 62.100 0.042 0.000 0.966 503 T CB 0.879 69.823 68.868 0.127 0.000 1.001 503 T HN 0.660 nan 8.240 nan 0.000 0.476 504 T N 2.697 117.263 114.554 0.021 0.000 2.817 504 T HA 0.486 4.836 4.350 0.001 0.000 0.293 504 T C -0.103 174.683 174.700 0.144 0.000 0.964 504 T CA -0.688 61.427 62.100 0.025 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 4.913 4.527 0.001 0.000 0.371 505 F C 1.358 177.224 175.800 0.110 0.000 1.078 505 F CA -0.994 57.094 58.000 0.146 0.000 1.195 505 F CB 0.529 39.615 39.000 0.142 0.000 1.099 505 F HN 0.702 nan 8.300 nan 0.000 0.548 506 K N 0.385 120.950 120.400 0.276 0.000 2.244 506 K HA 0.095 4.415 4.320 0.001 0.000 0.200 506 K C 0.686 177.364 176.600 0.131 0.000 1.052 506 K CA 0.680 57.068 56.287 0.169 0.000 0.980 506 K CB 0.345 32.925 32.500 0.132 0.000 0.838 506 K HN 0.565 nan 8.250 nan 0.000 0.481 507 T N -0.621 114.004 114.554 0.119 0.000 2.916 507 T HA 0.179 4.530 4.350 0.001 0.000 0.292 507 T C 1.079 175.799 174.700 0.033 0.000 1.055 507 T CA -0.705 61.436 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 2.852 122.772 119.914 0.010 0.000 2.282 508 V HA -0.183 3.938 4.120 0.001 0.000 0.249 508 V C 2.646 178.674 176.094 -0.110 0.000 1.057 508 V CA 2.047 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 -0.170 120.182 120.400 -0.079 0.000 2.113 509 K HA -0.270 4.051 4.320 0.001 0.000 0.208 509 K C 1.791 178.295 176.600 -0.160 0.000 1.047 509 K CA 2.060 58.283 56.287 -0.107 0.000 0.928 509 K CB -0.281 32.188 32.500 -0.051 0.000 0.716 509 K HN 0.530 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 4.519 4.640 0.001 0.000 0.204 510 D C 1.924 177.854 176.300 -0.616 0.000 0.976 510 D CA 1.477 55.387 54.000 -0.150 0.000 0.853 510 D CB -0.094 40.760 40.800 0.089 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 4.427 4.470 0.001 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 -1.519 0.000 0.942 511 S CB -0.566 62.147 63.200 -0.811 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 4.556 4.340 0.001 0.000 0.281 512 L C 0.410 177.097 176.870 -0.306 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 -1.383 113.164 114.554 -0.011 0.000 2.916 513 T HA 0.552 4.902 4.350 0.001 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 0.296 0.000 1.011 513 T CB 2.482 71.642 68.868 0.488 0.000 1.152 513 T HN 0.177 nan 8.240 nan 0.000 0.510 514 N N -0.160 118.830 118.700 0.485 0.000 2.362 514 N HA 0.370 5.111 4.740 0.001 0.000 0.299 514 N C -1.350 174.534 175.510 0.623 0.000 1.170 514 N CA -0.642 52.706 53.050 0.498 0.000 0.825 514 N CB 1.392 40.059 38.487 0.299 0.000 1.299 514 N HN 0.766 nan 8.380 nan 0.000 0.502 515 Y N 0.950 121.601 120.300 0.585 0.000 2.480 515 Y HA 0.084 4.635 4.550 0.001 0.000 0.338 515 Y C -0.267 175.768 175.900 0.224 0.000 1.220 515 Y CA 0.471 58.856 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 3.313 123.003 120.200 -0.850 0.000 2.265 516 E HA 0.134 4.485 4.350 0.001 0.000 0.262 516 E C 0.288 176.366 176.600 -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 1.486 116.846 115.700 -0.565 0.000 2.423 517 S HA -0.132 4.338 4.470 0.001 0.000 0.231 517 S C 1.844 176.336 174.600 -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 1.897 124.616 122.820 -0.168 0.000 2.070 518 A HA -0.013 4.308 4.320 0.001 0.000 0.220 518 A C 2.263 179.765 177.584 -0.137 0.000 1.159 518 A CA 1.788 53.753 52.037 -0.119 0.000 0.656 518 A CB -0.960 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 4.785 4.350 0.001 0.000 0.277 519 T C 1.093 175.690 174.700 -0.173 0.000 0.996 519 T CA 0.894 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 1.606 nan 8.240 nan 0.000 0.534 520 G N 2.843 111.545 108.800 -0.164 0.000 2.379 520 G HA2 -0.361 3.600 3.960 0.001 0.000 0.297 520 G HA3 -0.361 3.600 3.960 0.001 0.000 0.297 520 G C 0.085 174.969 174.900 -0.027 0.000 1.004 520 G CA 0.398 45.474 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 -0.195 0.000 2.638 521 R HA 0.331 4.672 4.340 0.001 0.000 0.268 521 R C 0.763 176.922 176.300 -0.235 0.000 1.006 521 R CA 0.988 56.918 56.100 -0.284 0.000 1.088 521 R CB 0.215 30.226 30.300 -0.482 0.000 0.950 521 R HN 0.705 nan 8.270 nan 0.000 0.419 522 S N 3.594 119.054 115.700 -0.400 0.000 2.661 522 S HA 0.603 5.074 4.470 0.001 0.000 0.285 522 S C -1.248 173.153 174.600 -0.332 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 0.633 nan 8.310 nan 0.000 0.484 523 W N 0.559 121.959 121.300 0.167 0.000 2.819 523 W HA 0.452 5.113 4.660 0.001 0.000 0.337 523 W C -1.354 175.253 176.519 0.146 0.000 1.077 523 W CA -0.441 57.032 57.345 0.214 0.000 1.226 523 W CB 2.111 31.827 29.460 0.426 0.000 1.419 523 W HN 0.627 nan 8.180 nan 0.000 0.502 524 D N 2.019 122.645 120.400 0.376 0.000 2.248 524 D HA 0.512 5.152 4.640 0.001 0.000 0.246 524 D C -0.453 176.103 176.300 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 3.235 124.007 120.570 0.338 0.000 2.382 525 I HA 0.353 4.524 4.170 0.001 0.000 0.285 525 I C -0.666 175.666 176.117 0.358 0.000 1.007 525 I CA -0.863 60.598 61.300 0.267 0.000 1.142 525 I CB 0.292 38.359 38.000 0.111 0.000 1.289 525 I HN 0.218 nan 8.210 nan 0.000 0.453 526 F N 3.488 123.519 119.950 0.135 0.000 2.664 526 F HA 0.541 5.069 4.527 0.001 0.000 0.329 526 F C -0.662 175.197 175.800 0.098 0.000 1.090 526 F CA -1.526 56.547 58.000 0.121 0.000 0.978 526 F CB 1.259 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 2.010 120.858 118.700 0.247 0.000 2.558 527 N HA 0.361 5.102 4.740 0.001 0.000 0.242 527 N C -2.053 173.571 175.510 0.190 0.000 0.979 527 N CA -2.174 50.938 53.050 0.102 0.000 0.931 527 N CB 1.426 39.962 38.487 0.082 0.000 1.122 527 N HN 0.384 nan 8.380 nan 0.000 0.508 528 P HA -0.086 nan 4.420 nan 0.000 0.230 528 P C -0.123 177.242 177.300 0.109 0.000 1.158 528 P CA 0.898 64.128 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 -0.132 118.605 118.700 0.062 0.000 2.398 529 N HA 0.058 4.798 4.740 0.001 0.000 0.188 529 N C 0.590 176.111 175.510 0.018 0.000 1.122 529 N CA 0.533 53.602 53.050 0.031 0.000 0.866 529 N CB 0.475 38.969 38.487 0.013 0.000 0.970 529 N HN 0.373 nan 8.380 nan 0.000 0.462 530 K N 0.176 120.591 120.400 0.024 0.000 2.433 530 K HA 0.654 4.974 4.320 0.001 0.000 0.252 530 K C -1.004 175.592 176.600 -0.006 0.000 1.015 530 K CA -0.761 55.521 56.287 -0.009 0.000 0.860 530 K CB 2.951 35.425 32.500 -0.042 0.000 1.359 530 K HN -0.322 nan 8.250 nan 0.000 0.452 531 V N 0.935 120.829 119.914 -0.034 0.000 2.808 531 V HA 0.203 4.323 4.120 0.001 0.000 0.308 531 V C -0.707 175.357 176.094 -0.051 0.000 1.099 531 V CA -1.188 61.093 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 6.096 124.776 118.700 -0.034 0.000 2.452 532 N HA 0.137 4.878 4.740 0.001 0.000 0.266 532 N C -1.359 174.133 175.510 -0.030 0.000 1.209 532 N CA -1.189 51.841 53.050 -0.034 0.000 0.929 532 N CB 1.999 40.524 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 0.390 177.732 177.300 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 0.848 121.157 120.300 0.015 0.000 2.284 534 Y HA 0.014 4.564 4.550 0.001 0.000 0.293 534 Y C 2.900 178.817 175.900 0.029 0.000 1.140 534 Y CA 0.935 59.045 58.100 0.018 0.000 1.153 534 Y CB -1.245 37.227 38.460 0.019 0.000 1.114 534 Y HN 0.043 nan 8.280 nan 0.000 0.521 535 S N -1.046 114.801 115.700 0.245 0.000 2.470 535 S HA 0.191 4.662 4.470 0.001 0.000 0.225 535 S C 1.886 176.529 174.600 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 1.083 109.914 108.800 0.053 0.000 2.162 536 G HA2 -0.216 3.745 3.960 0.001 0.000 0.260 536 G HA3 -0.216 3.745 3.960 0.001 0.000 0.260 536 G C -0.028 174.836 174.900 -0.061 0.000 0.976 536 G CA 0.418 45.516 45.100 -0.002 0.000 0.655 536 G HN 0.518 nan 8.290 nan 0.000 0.533 537 K N 0.675 121.007 120.400 -0.114 0.000 2.123 537 K HA 0.566 4.887 4.320 0.001 0.000 0.248 537 K C -2.324 174.191 176.600 -0.142 0.000 0.969 537 K CA -2.214 53.922 56.287 -0.251 0.000 0.882 537 K CB 1.686 33.767 32.500 -0.698 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 -2.526 174.809 177.300 0.059 0.000 1.231 538 P CA -1.486 61.617 63.100 0.005 0.000 0.790 538 P CB -0.074 31.697 31.700 0.118 0.000 0.951 539 P HA 0.055 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 0.396 63.562 63.100 0.111 0.000 0.776 539 P CB 0.580 32.203 31.700 -0.128 0.000 0.881 540 S N 1.744 117.660 115.700 0.359 0.000 2.615 540 S HA 0.577 5.048 4.470 0.001 0.000 0.269 540 S C -1.840 172.908 174.600 0.246 0.000 1.161 540 S CA -0.669 57.747 58.200 0.359 0.000 0.817 540 S CB 1.091 64.465 63.200 0.289 0.000 1.131 540 S HN 0.287 nan 8.310 nan 0.000 0.467 541 Y N 0.915 121.282 120.300 0.112 0.000 2.350 541 Y HA 0.587 5.138 4.550 0.001 0.000 0.338 541 Y C 0.035 175.984 175.900 0.082 0.000 0.961 541 Y CA -0.504 57.617 58.100 0.035 0.000 1.100 541 Y CB 1.952 40.408 38.460 -0.007 0.000 1.179 541 Y HN 0.857 nan 8.280 nan 0.000 0.454 542 K N 4.313 124.762 120.400 0.082 0.000 2.183 542 K HA 0.463 4.784 4.320 0.001 0.000 0.274 542 K C -1.373 175.281 176.600 0.090 0.000 1.009 542 K CA -0.890 55.458 56.287 0.102 0.000 0.888 542 K CB 0.890 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 5.798 127.087 121.223 0.109 0.000 2.283 543 L HA 0.241 4.581 4.340 0.001 0.000 0.287 543 L C -1.299 175.652 176.870 0.136 0.000 1.073 543 L CA -0.030 54.843 54.840 0.056 0.000 0.822 543 L CB 1.144 43.199 42.059 -0.007 0.000 1.186 543 L HN 0.371 nan 8.230 nan 0.000 0.436 544 V N 4.973 124.918 119.914 0.052 0.000 2.257 544 V HA 0.460 4.581 4.120 0.001 0.000 0.269 544 V C 0.085 176.185 176.094 0.010 0.000 1.040 544 V CA -0.212 62.120 62.300 0.053 0.000 0.813 544 V CB 0.613 32.448 31.823 0.020 0.000 1.065 544 V HN 0.845 nan 8.190 nan 0.000 0.457 545 S N 2.671 118.406 115.700 0.057 0.000 2.594 545 S HA 0.521 4.992 4.470 0.001 0.000 0.296 545 S C 0.485 175.020 174.600 -0.109 0.000 1.124 545 S CA -0.223 57.994 58.200 0.028 0.000 1.011 545 S CB 2.107 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 4.575 4.350 0.001 0.000 0.251 546 T C 0.188 174.765 174.700 -0.205 0.000 1.002 546 T CA 0.295 62.116 62.100 -0.466 0.000 0.970 546 T CB 0.114 68.808 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 4.611 4.340 0.001 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 -0.283 28.546 28.738 0.151 0.000 1.513 547 Q HN 0.329 nan 8.270 nan 0.000 0.577 548 C N 2.931 122.350 119.300 0.198 0.000 2.621 548 C HA 0.363 4.824 4.460 0.001 0.000 0.272 548 C C -2.082 173.051 174.990 0.239 0.000 1.119 548 C CA -1.965 57.211 59.018 0.263 0.000 1.593 548 C CB -0.664 27.308 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 31.905 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 0.642 32.369 31.700 0.045 0.000 0.979 551 L N 3.152 124.332 121.223 -0.070 0.000 2.456 551 L HA 0.039 4.380 4.340 0.001 0.000 0.277 551 L C 1.195 178.009 176.870 -0.093 0.000 1.124 551 L CA 0.388 55.158 54.840 -0.117 0.000 0.880 551 L CB -0.672 41.271 42.059 -0.193 0.000 1.192 551 L HN 0.331 nan 8.230 nan 0.000 0.463 552 L N 4.760 125.940 121.223 -0.073 0.000 2.156 552 L HA 0.072 4.413 4.340 0.001 0.000 0.208 552 L C 1.486 178.310 176.870 -0.077 0.000 1.095 552 L CA 0.551 55.363 54.840 -0.047 0.000 0.770 552 L CB -0.545 41.507 42.059 -0.012 0.000 0.914 552 L HN 0.838 nan 8.230 nan 0.000 0.439 553 A N 0.919 123.668 122.820 -0.118 0.000 2.531 553 A HA 0.098 4.418 4.320 0.001 0.000 0.236 553 A C 0.281 177.781 177.584 -0.141 0.000 1.062 553 A CA 0.054 52.004 52.037 -0.145 0.000 0.760 553 A CB 0.001 18.886 19.000 -0.192 0.000 0.995 553 A HN 0.192 nan 8.150 nan 0.000 0.501 554 K N 1.301 121.623 120.400 -0.130 0.000 2.180 554 K HA 0.153 4.474 4.320 0.001 0.000 0.251 554 K C 0.203 176.722 176.600 -0.136 0.000 1.014 554 K CA -0.282 55.935 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 0.149 120.277 120.200 -0.119 0.000 2.452 555 E HA -0.063 4.288 4.350 0.001 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 30.180 29.700 -0.098 0.000 0.934 555 E HN 0.860 nan 8.360 nan 0.000 0.452 556 G N 2.756 111.467 108.800 -0.148 0.000 2.176 556 G HA2 -0.326 3.635 3.960 0.001 0.000 0.253 556 G HA3 -0.326 3.635 3.960 0.001 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 -0.211 115.377 115.700 -0.187 0.000 2.614 557 S HA 0.640 5.110 4.470 0.001 0.000 0.265 557 S C 1.651 176.090 174.600 -0.270 0.000 1.303 557 S CA -0.078 57.997 58.200 -0.208 0.000 1.000 557 S CB 1.509 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 1.353 122.403 121.223 -0.289 0.000 2.013 558 L HA -0.137 4.204 4.340 0.001 0.000 0.212 558 L C 2.652 179.243 176.870 -0.465 0.000 1.073 558 L CA 1.406 56.028 54.840 -0.363 0.000 0.753 558 L CB -0.732 41.122 42.059 -0.341 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 3.775 4.120 0.001 0.000 0.247 559 V C 2.698 178.566 176.094 -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 30.644 31.823 -0.382 0.000 0.641 559 V HN 0.537 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 4.119 4.320 0.001 0.000 0.218 560 A C 2.282 179.669 177.584 -0.327 0.000 1.175 560 A CA 1.757 53.602 52.037 -0.319 0.000 0.628 560 A CB -0.369 18.477 19.000 -0.257 0.000 0.814 560 A HN 0.568 nan 8.150 nan 0.000 0.444 561 K N -0.587 119.602 120.400 -0.352 0.000 2.103 561 K HA -0.050 4.271 4.320 0.001 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 0.327 120.530 120.500 -0.496 0.000 2.236 562 R HA 0.061 4.402 4.340 0.001 0.000 0.208 562 R C 0.707 176.954 176.300 -0.088 0.000 1.036 562 R CA 0.592 56.456 56.100 -0.393 0.000 1.001 562 R CB 0.270 30.436 30.300 -0.225 0.000 0.896 562 R HN 0.010 nan 8.270 nan 0.000 0.464 563 A N 1.568 124.227 122.820 -0.268 0.000 3.248 563 A HA 0.279 4.600 4.320 0.001 0.000 0.315 563 A C -1.932 175.223 177.584 -0.714 0.000 0.974 563 A CA -1.234 50.488 52.037 -0.525 0.000 0.939 563 A CB 0.451 18.975 19.000 -0.793 0.000 1.061 563 A HN -0.062 nan 8.150 nan 0.000 0.481 564 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 1.253 64.220 63.100 -0.221 0.000 0.813 564 P CB -0.217 31.436 31.700 -0.079 0.000 0.778 565 W N -0.144 121.102 121.300 -0.090 0.000 2.584 565 W HA 0.291 4.952 4.660 0.001 0.000 0.264 565 W C 1.599 178.108 176.519 -0.015 0.000 1.264 565 W CA 0.542 57.849 57.345 -0.063 0.000 1.306 565 W CB -1.648 27.758 29.460 -0.090 0.000 1.110 565 W HN -0.086 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 4.263 4.320 0.001 0.000 0.215 566 A C 2.090 179.483 177.584 -0.318 0.000 1.152 566 A CA 1.540 53.165 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 0.230 nan 8.150 nan 0.000 0.465 567 S N -0.618 114.904 115.700 -0.297 0.000 2.423 567 S HA -0.027 4.443 4.470 0.001 0.000 0.231 567 S C 0.380 174.707 174.600 -0.455 0.000 1.014 567 S CA 0.825 58.817 58.200 -0.347 0.000 0.965 567 S CB -0.254 62.727 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 5.002 4.556 0.001 0.000 0.367 568 H C 0.754 176.133 175.328 0.084 0.000 1.162 568 H CA -0.471 55.604 56.048 0.044 0.000 1.181 568 H CB 1.441 31.215 29.762 0.020 0.000 1.693 568 H HN -0.114 nan 8.280 nan 0.000 0.538 569 S N 0.484 116.335 115.700 0.252 0.000 2.406 569 S HA 0.022 4.492 4.470 0.001 0.000 0.228 569 S C 0.436 175.099 174.600 0.106 0.000 1.020 569 S CA 0.569 58.893 58.200 0.206 0.000 0.965 569 S CB 0.332 63.758 63.200 0.376 0.000 0.798 569 S HN 0.243 nan 8.310 nan 0.000 0.488 570 V N 2.518 122.430 119.914 -0.004 0.000 2.709 570 V HA 0.450 4.571 4.120 0.001 0.000 0.308 570 V C -1.014 174.954 176.094 -0.210 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 -0.708 0.000 1.003 570 V HN 0.254 nan 8.190 nan 0.000 0.425 571 N N 2.823 121.379 118.700 -0.241 0.000 2.480 571 N HA 0.524 5.265 4.740 0.001 0.000 0.289 571 N C -1.547 173.881 175.510 -0.138 0.000 1.073 571 N CA -0.286 52.684 53.050 -0.133 0.000 0.885 571 N CB 2.696 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 2.233 122.059 119.914 -0.145 0.000 2.444 572 V HA 0.487 4.608 4.120 0.001 0.000 0.294 572 V C 0.273 176.405 176.094 0.063 0.000 1.022 572 V CA -0.741 61.547 62.300 -0.020 0.000 0.850 572 V CB 1.562 33.395 31.823 0.017 0.000 0.992 572 V HN 0.469 nan 8.190 nan 0.000 0.426 573 V N 3.473 123.469 119.914 0.137 0.000 3.126 573 V HA 0.793 4.914 4.120 0.001 0.000 0.314 573 V C -2.890 173.249 176.094 0.076 0.000 1.138 573 V CA -3.101 59.262 62.300 0.105 0.000 1.034 573 V CB 2.124 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 -1.238 176.048 177.300 -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 4.911 4.550 0.001 0.000 0.335 575 Y C 0.108 175.928 175.900 -0.132 0.000 1.213 575 Y CA 0.594 58.626 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 3.732 123.408 120.400 -1.207 0.000 2.542 576 K HA 0.235 4.556 4.320 0.001 0.000 0.259 576 K C -1.767 174.184 176.600 -1.082 0.000 0.932 576 K CA -0.673 55.155 56.287 -0.765 0.000 0.820 576 K CB 1.262 33.473 32.500 -0.483 0.000 1.345 576 K HN 0.626 nan 8.250 nan 0.000 0.432 577 D N 2.148 122.265 120.400 -0.472 0.000 2.443 577 D HA -0.014 4.627 4.640 0.001 0.000 0.239 577 D C 0.205 176.322 176.300 -0.305 0.000 1.136 577 D CA 0.930 54.776 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 1.406 119.943 118.700 -0.271 0.000 2.776 578 N HA -0.209 4.532 4.740 0.001 0.000 0.249 578 N C -0.692 174.609 175.510 -0.349 0.000 1.111 578 N CA 0.216 53.100 53.050 -0.278 0.000 0.711 578 N CB -0.318 38.046 38.487 -0.206 0.000 1.065 578 N HN 0.354 nan 8.380 nan 0.000 0.556 579 R N 1.075 121.267 120.500 -0.513 0.000 2.755 579 R HA 0.279 4.619 4.340 0.001 0.000 0.268 579 R C 1.145 177.138 176.300 -0.512 0.000 1.295 579 R CA -0.237 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 0.796 121.792 121.223 -0.378 0.000 2.435 580 L HA 0.213 4.554 4.340 0.001 0.000 0.195 580 L C -0.111 176.619 176.870 -0.233 0.000 1.072 580 L CA 0.345 54.880 54.840 -0.508 0.000 0.833 580 L CB 0.091 41.418 42.059 -1.220 0.000 1.081 580 L HN 0.343 nan 8.230 nan 0.000 0.485 581 Y N 1.741 122.175 120.300 0.224 0.000 2.518 581 Y HA 0.248 4.799 4.550 0.001 0.000 0.344 581 Y C -1.495 174.420 175.900 0.024 0.000 0.982 581 Y CA -3.569 54.586 58.100 0.092 0.000 1.234 581 Y CB -0.345 38.081 38.460 -0.057 0.000 1.114 581 Y HN -0.021 nan 8.280 nan 0.000 0.515 582 P HA -0.145 nan 4.420 nan 0.000 0.220 582 P C 0.566 177.751 177.300 -0.191 0.000 1.144 582 P CA 1.272 64.131 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 0.011 0.000 2.575 583 S HA 0.480 4.951 4.470 0.001 0.000 0.237 583 S C 0.812 175.346 174.600 -0.110 0.000 0.975 583 S CA 0.258 58.548 58.200 0.151 0.000 0.960 583 S CB -0.064 63.351 63.200 0.358 0.000 0.822 583 S HN 0.543 nan 8.310 nan 0.000 0.472 584 G N 1.409 110.064 108.800 -0.241 0.000 2.662 584 G HA2 -0.140 3.821 3.960 0.001 0.000 0.686 584 G HA3 -0.140 3.821 3.960 0.001 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 0.022 4.663 4.640 0.001 0.000 0.203 585 D C 0.754 176.727 176.300 -0.545 0.000 0.969 585 D CA 1.373 55.193 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 0.404 119.445 119.070 -0.048 0.000 2.786 586 H HA 0.240 4.796 4.556 0.001 0.000 0.284 586 H C 1.059 176.370 175.328 -0.029 0.000 1.104 586 H CA -0.321 55.713 56.048 -0.023 0.000 1.339 586 H CB 1.456 31.214 29.762 -0.007 0.000 1.427 586 H HN -0.210 nan 8.280 nan 0.000 0.497 587 V N 3.767 123.716 119.914 0.059 0.000 2.346 587 V HA -0.048 4.073 4.120 0.001 0.000 0.244 587 V C -1.543 174.651 176.094 0.168 0.000 1.037 587 V CA 0.689 63.054 62.300 0.109 0.000 1.029 587 V CB -1.070 30.779 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 0.322 177.736 177.300 0.190 0.000 1.173 588 P CA 0.844 64.005 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 -1.855 118.083 119.800 0.230 0.000 2.348 589 Q HA -0.239 4.101 4.340 0.001 0.000 0.221 589 Q C -0.266 175.992 176.000 0.430 0.000 0.735 589 Q CA 0.584 56.591 55.803 0.340 0.000 1.351 589 Q CB -1.734 27.151 28.738 0.245 0.000 1.640 589 Q HN 0.549 nan 8.270 nan 0.000 0.667 590 W N 1.698 123.067 121.300 0.115 0.000 2.266 590 W HA 0.304 4.965 4.660 0.001 0.000 0.317 590 W C 1.241 177.629 176.519 -0.219 0.000 1.310 590 W CA -0.079 57.266 57.345 0.001 0.000 1.207 590 W CB 0.582 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 3.515 118.758 115.700 -0.762 0.000 2.481 591 S HA 0.123 4.594 4.470 0.001 0.000 0.231 591 S C 1.576 175.347 174.600 -1.381 0.000 0.996 591 S CA 0.867 58.209 58.200 -1.430 0.000 0.942 591 S CB -0.377 62.272 63.200 -0.920 0.000 0.768 591 S HN 1.718 nan 8.310 nan 0.000 0.520 592 G N 0.565 108.024 108.800 -2.235 0.000 2.194 592 G HA2 -0.172 3.789 3.960 0.001 0.000 0.236 592 G HA3 -0.172 3.789 3.960 0.001 0.000 0.236 592 G C -0.413 173.875 174.900 -1.020 0.000 0.987 592 G CA 0.089 43.938 45.100 -2.085 0.000 0.635 592 G HN 0.565 nan 8.290 nan 0.000 0.520 593 D N 1.156 121.197 120.400 -0.597 0.000 2.256 593 D HA 0.555 5.196 4.640 0.001 0.000 0.250 593 D C 0.746 177.188 176.300 0.238 0.000 1.093 593 D CA 1.473 55.398 54.000 -0.124 0.000 0.882 593 D CB 1.349 42.085 40.800 -0.107 0.000 1.185 593 D HN 1.398 nan 8.370 nan 0.000 0.437 594 G N 0.053 108.965 108.800 0.186 0.000 2.484 594 G HA2 -0.092 3.869 3.960 0.001 0.000 0.685 594 G HA3 -0.092 3.869 3.960 0.001 0.000 0.685 594 G C -0.961 174.032 174.900 0.155 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 2.436 122.378 119.914 0.047 0.000 2.322 595 V HA 0.661 4.782 4.120 0.001 0.000 0.258 595 V C 0.805 176.843 176.094 -0.094 0.000 1.074 595 V CA 0.673 62.965 62.300 -0.013 0.000 0.909 595 V CB -0.218 31.596 31.823 -0.016 0.000 1.090 595 V HN 1.068 nan 8.190 nan 0.000 0.486 596 R N 2.885 123.278 120.500 -0.178 0.000 2.766 596 R HA 0.818 5.158 4.340 0.001 0.000 0.270 596 R C 0.452 176.447 176.300 -0.507 0.000 1.035 596 R CA -0.187 55.709 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 3.525 3.960 0.001 0.000 0.291 597 G HA3 -0.436 3.525 3.960 0.001 0.000 0.291 597 G C 0.565 174.377 174.900 -1.814 0.000 1.277 597 G CA 0.921 45.354 45.100 -1.112 0.000 0.959 597 G HN 0.800 nan 8.290 nan 0.000 0.554 598 M N 0.262 119.019 119.600 -1.405 0.000 2.144 598 M HA -0.031 4.450 4.480 0.001 0.000 0.260 598 M C 2.448 178.464 176.300 -0.473 0.000 1.067 598 M CA 2.832 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 4.145 4.340 0.001 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 -0.515 119.515 120.200 -0.282 0.000 2.072 600 E HA -0.169 4.182 4.350 0.001 0.000 0.190 600 E C 1.431 178.048 176.600 0.028 0.000 0.982 600 E CA 1.013 57.329 56.400 -0.140 0.000 0.803 600 E CB -0.056 29.550 29.700 -0.157 0.000 0.755 600 E HN 0.405 nan 8.360 nan 0.000 0.453 601 W N 0.731 121.980 121.300 -0.085 0.000 2.363 601 W HA -0.065 4.595 4.660 0.001 0.000 0.296 601 W C 2.095 178.575 176.519 -0.066 0.000 1.212 601 W CA 0.262 57.555 57.345 -0.086 0.000 1.260 601 W CB -0.923 28.463 29.460 -0.123 0.000 1.131 601 W HN 0.153 nan 8.180 nan 0.000 0.530 602 I N 0.063 120.706 120.570 0.121 0.000 2.315 602 I HA -0.105 4.066 4.170 0.001 0.000 0.248 602 I C 2.152 178.288 176.117 0.032 0.000 1.117 602 I CA 1.367 62.696 61.300 0.048 0.000 1.404 602 I CB -1.121 36.875 38.000 -0.007 0.000 1.071 602 I HN 0.084 nan 8.210 nan 0.000 0.419 603 G N 2.385 111.200 108.800 0.025 0.000 2.634 603 G HA2 -0.424 3.537 3.960 0.001 0.000 0.309 603 G HA3 -0.424 3.537 3.960 0.001 0.000 0.309 603 G C 0.443 175.347 174.900 0.006 0.000 1.265 603 G CA 0.730 45.841 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 5.029 4.640 0.001 0.000 0.225 604 D C 1.761 178.061 176.300 0.000 0.000 1.096 604 D CA 1.026 55.028 54.000 0.003 0.000 0.844 604 D CB -0.476 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 3.586 3.960 0.001 0.000 0.260 605 G HA3 -0.375 3.586 3.960 0.001 0.000 0.260 605 G C 1.082 175.982 174.900 0.001 0.000 0.986 605 G CA 0.950 46.045 45.100 -0.009 0.000 0.683 605 G HN 0.718 nan 8.290 nan 0.000 0.527 606 S N -0.897 114.809 115.700 0.011 0.000 2.524 606 S HA 0.305 4.776 4.470 0.001 0.000 0.216 606 S C 0.674 175.289 174.600 0.025 0.000 0.987 606 S CA 0.638 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 2.344 122.561 120.200 0.027 0.000 2.415 607 E HA 0.151 4.502 4.350 0.001 0.000 0.262 607 E C -0.247 176.378 176.600 0.040 0.000 1.038 607 E CA -0.300 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 2.164 120.889 118.700 0.043 0.000 2.520 608 N HA 0.061 4.802 4.740 0.001 0.000 0.273 608 N C -0.083 175.463 175.510 0.059 0.000 1.155 608 N CA 0.097 53.178 53.050 0.052 0.000 0.967 608 N CB 0.426 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 -1.763 118.854 120.570 0.077 0.000 3.994 609 I HA 0.418 4.589 4.170 0.001 0.000 0.323 609 I C -0.476 175.691 176.117 0.083 0.000 1.501 609 I CA -0.528 60.825 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 2.524 122.964 120.400 0.067 0.000 2.329 610 D HA 0.205 4.845 4.640 0.001 0.000 0.232 610 D C 0.278 176.583 176.300 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 4.520 4.740 0.001 0.000 0.259 611 N C -1.397 174.105 175.510 -0.014 0.000 1.066 611 N CA 1.330 54.355 53.050 -0.041 0.000 0.717 611 N CB -0.966 37.514 38.487 -0.011 0.000 0.885 611 N HN 0.551 nan 8.380 nan 0.000 0.547 612 T N -0.645 113.902 114.554 -0.012 0.000 2.637 612 T HA 0.327 4.678 4.350 0.001 0.000 0.303 612 T C -1.908 172.796 174.700 0.007 0.000 1.288 612 T CA -0.504 61.599 62.100 0.005 0.000 1.040 612 T CB 0.632 69.515 68.868 0.024 0.000 1.644 612 T HN 0.056 nan 8.240 nan 0.000 0.480 613 D N 2.312 122.725 120.400 0.022 0.000 2.313 613 D HA 0.494 5.134 4.640 0.001 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 0.431 41.230 40.800 -0.002 0.000 1.082 613 D HN 0.632 nan 8.370 nan 0.000 0.480 614 I N -1.717 118.915 120.570 0.103 0.000 3.067 614 I HA 0.614 4.785 4.170 0.001 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 1.936 40.019 38.000 0.138 0.000 1.227 614 I HN 0.006 nan 8.210 nan 0.000 0.456 615 L N 2.687 124.010 121.223 0.167 0.000 2.381 615 L HA 0.473 4.814 4.340 0.001 0.000 0.274 615 L C -1.485 175.513 176.870 0.214 0.000 0.988 615 L CA -0.455 54.462 54.840 0.130 0.000 0.824 615 L CB 2.330 44.458 42.059 0.114 0.000 1.263 615 L HN 0.526 nan 8.230 nan 0.000 0.410 616 F N 3.853 123.765 119.950 -0.062 0.000 2.347 616 F HA 0.525 5.052 4.527 0.001 0.000 0.366 616 F C -0.987 174.764 175.800 -0.081 0.000 1.107 616 F CA -0.669 57.341 58.000 0.017 0.000 1.058 616 F CB 0.663 39.659 39.000 -0.007 0.000 1.236 616 F HN 0.111 nan 8.300 nan 0.000 0.456 617 F N 5.352 125.354 119.950 0.086 0.000 2.388 617 F HA 0.272 4.799 4.527 0.001 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 0.665 39.744 39.000 0.131 0.000 1.155 617 F HN 0.422 nan 8.300 nan 0.000 0.461 618 H N 1.626 120.889 119.070 0.322 0.000 2.476 618 H HA 0.456 5.013 4.556 0.001 0.000 0.328 618 H C -0.757 174.811 175.328 0.399 0.000 1.073 618 H CA -0.519 55.692 56.048 0.272 0.000 1.229 618 H CB 1.140 31.058 29.762 0.260 0.000 1.432 618 H HN 0.506 nan 8.280 nan 0.000 0.477 619 T N 7.546 122.091 114.554 -0.016 0.000 2.749 619 T HA 0.420 4.771 4.350 0.001 0.000 0.287 619 T C -0.915 173.755 174.700 -0.051 0.000 0.970 619 T CA -0.314 61.870 62.100 0.139 0.000 0.980 619 T CB -0.289 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 0.399 120.299 119.950 -0.084 0.000 2.715 620 F HA 0.962 5.490 4.527 0.001 0.000 0.318 620 F C 0.129 176.082 175.800 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 0.266 109.156 108.800 0.151 0.000 2.332 621 G HA2 0.466 4.427 3.960 0.001 0.000 0.265 621 G HA3 0.466 4.427 3.960 0.001 0.000 0.265 621 G C -2.051 172.967 174.900 0.196 0.000 1.329 621 G CA -0.253 44.956 45.100 0.182 0.000 0.949 621 G HN 1.561 nan 8.290 nan 0.000 0.476 622 I N -3.102 117.587 120.570 0.199 0.000 3.174 622 I HA 0.871 5.041 4.170 0.001 0.000 0.313 622 I C -0.422 175.742 176.117 0.080 0.000 1.155 622 I CA -1.018 60.360 61.300 0.131 0.000 0.977 622 I CB 2.178 40.238 38.000 0.099 0.000 1.248 622 I HN 0.475 nan 8.210 nan 0.000 0.453 623 T N 1.174 115.731 114.554 0.005 0.000 2.770 623 T HA 0.337 4.688 4.350 0.001 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 -0.019 68.763 68.868 -0.144 0.000 0.930 623 T HN 0.655 nan 8.240 nan 0.000 0.443 624 H N 3.016 121.759 119.070 -0.544 0.000 2.541 624 H HA 0.427 4.983 4.556 0.001 0.000 0.316 624 H C -1.179 173.774 175.328 -0.624 0.000 1.043 624 H CA -1.086 54.661 56.048 -0.501 0.000 1.232 624 H CB 0.369 29.843 29.762 -0.481 0.000 1.406 624 H HN 0.424 nan 8.280 nan 0.000 0.469 625 F N 6.690 126.768 119.950 0.214 0.000 2.311 625 F HA 0.280 4.808 4.527 0.002 0.000 0.371 625 F C -1.996 173.892 175.800 0.148 0.000 1.083 625 F CA -2.559 55.498 58.000 0.095 0.000 1.113 625 F CB 0.832 39.883 39.000 0.085 0.000 1.349 625 F HN 0.531 nan 8.300 nan 0.000 0.470 626 P HA 0.199 nan 4.420 nan 0.000 0.266 626 P C -0.676 176.725 177.300 0.169 0.000 1.186 626 P CA 0.106 63.260 63.100 0.090 0.000 0.767 626 P CB 0.750 32.431 31.700 -0.033 0.000 0.820 627 A N 4.184 127.116 122.820 0.187 0.000 2.515 627 A HA 0.609 4.929 4.320 0.001 0.000 0.296 627 A C -2.066 175.599 177.584 0.135 0.000 1.094 627 A CA -1.570 50.549 52.037 0.138 0.000 0.718 627 A CB 0.850 19.931 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 0.756 178.157 177.300 0.170 0.000 1.148 628 P CA 1.618 64.805 63.100 0.144 0.000 0.828 628 P CB 0.259 32.028 31.700 0.115 0.000 0.783 629 E N -0.710 119.566 120.200 0.127 0.000 2.267 629 E HA -0.171 4.180 4.350 0.001 0.000 0.197 629 E C 1.308 177.974 176.600 0.111 0.000 0.998 629 E CA 1.058 57.519 56.400 0.102 0.000 0.830 629 E CB -0.742 29.002 29.700 0.074 0.000 0.751 629 E HN 0.357 nan 8.360 nan 0.000 0.491 630 D N -0.945 119.552 120.400 0.162 0.000 2.355 630 D HA -0.017 4.624 4.640 0.001 0.000 0.218 630 D C -0.256 176.171 176.300 0.212 0.000 1.004 630 D CA 0.410 54.515 54.000 0.175 0.000 0.880 630 D CB 0.113 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 1.135 121.101 119.950 0.027 0.000 2.522 631 F HA 0.317 4.845 4.527 0.001 0.000 0.324 631 F C -1.712 174.094 175.800 0.009 0.000 1.077 631 F CA -2.375 55.632 58.000 0.011 0.000 0.944 631 F CB 2.160 41.178 39.000 0.030 0.000 1.175 631 F HN -0.300 nan 8.300 nan 0.000 0.468 632 P HA 0.097 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 0.765 63.053 63.100 -1.354 0.000 0.807 632 P CB 1.085 32.174 31.700 -1.017 0.000 1.150 633 L N 0.981 121.968 121.223 -0.392 0.000 2.436 633 L HA 0.475 4.816 4.340 0.001 0.000 0.268 633 L C -0.350 176.368 176.870 -0.253 0.000 0.974 633 L CA -1.242 53.321 54.840 -0.461 0.000 0.826 633 L CB 2.640 44.208 42.059 -0.818 0.000 1.291 633 L HN -0.154 nan 8.230 nan 0.000 0.406 634 M N 4.399 123.888 119.600 -0.186 0.000 2.318 634 M HA 0.629 5.109 4.480 0.001 0.000 0.347 634 M C -2.581 173.646 176.300 -0.121 0.000 1.175 634 M CA -1.569 53.674 55.300 -0.095 0.000 1.075 634 M CB 1.313 33.909 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 -0.768 176.472 177.300 -0.099 0.000 1.218 635 P CA -0.134 62.912 63.100 -0.090 0.000 0.780 635 P CB 0.577 32.241 31.700 -0.060 0.000 0.901 636 A N 2.298 125.057 122.820 -0.101 0.000 2.567 636 A HA 0.013 4.333 4.320 0.001 0.000 0.240 636 A C 0.357 177.878 177.584 -0.104 0.000 1.053 636 A CA 0.401 52.374 52.037 -0.106 0.000 0.755 636 A CB -0.521 18.428 19.000 -0.086 0.000 0.978 636 A HN 0.591 nan 8.150 nan 0.000 0.507 637 E N 3.525 123.649 120.200 -0.126 0.000 2.158 637 E HA 0.458 4.809 4.350 0.001 0.000 0.271 637 E C -2.655 173.884 176.600 -0.101 0.000 0.911 637 E CA -2.235 54.091 56.400 -0.122 0.000 0.767 637 E CB 1.824 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 -0.359 62.701 63.100 -0.066 0.000 0.835 638 P CB 1.388 33.044 31.700 -0.075 0.000 1.017 639 I N 0.879 121.429 120.570 -0.034 0.000 2.619 639 I HA 0.527 4.698 4.170 0.001 0.000 0.292 639 I C -0.036 176.069 176.117 -0.020 0.000 1.100 639 I CA -0.532 60.777 61.300 0.015 0.000 1.043 639 I CB 2.618 40.650 38.000 0.052 0.000 1.239 639 I HN 0.287 nan 8.210 nan 0.000 0.420 640 T N 6.526 121.064 114.554 -0.027 0.000 2.889 640 T HA 0.718 5.069 4.350 0.001 0.000 0.315 640 T C -1.830 172.768 174.700 -0.170 0.000 1.291 640 T CA -0.562 61.468 62.100 -0.118 0.000 1.028 640 T CB 1.612 70.414 68.868 -0.109 0.000 1.235 640 T HN 0.583 nan 8.240 nan 0.000 0.491 641 L N 1.823 122.886 121.223 -0.267 0.000 2.469 641 L HA 0.858 5.199 4.340 0.001 0.000 0.256 641 L C -1.722 175.021 176.870 -0.212 0.000 1.006 641 L CA -1.167 53.515 54.840 -0.264 0.000 0.832 641 L CB 1.843 43.638 42.059 -0.440 0.000 1.421 641 L HN 0.942 nan 8.230 nan 0.000 0.410 642 M N 2.268 121.782 119.600 -0.143 0.000 2.501 642 M HA 0.655 5.136 4.480 0.001 0.000 0.293 642 M C -2.137 174.136 176.300 -0.044 0.000 1.192 642 M CA -0.509 54.736 55.300 -0.093 0.000 0.886 642 M CB 2.718 35.285 32.600 -0.056 0.000 1.710 642 M HN 0.681 nan 8.290 nan 0.000 0.457 643 L N 4.479 125.714 121.223 0.021 0.000 2.345 643 L HA 0.581 4.922 4.340 0.001 0.000 0.274 643 L C -0.841 176.144 176.870 0.191 0.000 0.999 643 L CA -0.508 54.426 54.840 0.156 0.000 0.849 643 L CB 1.482 43.702 42.059 0.268 0.000 1.220 643 L HN 0.699 nan 8.230 nan 0.000 0.422 644 R N 4.103 124.611 120.500 0.013 0.000 2.460 644 R HA 0.480 4.820 4.340 0.001 0.000 0.303 644 R C -2.563 173.383 176.300 -0.589 0.000 0.968 644 R CA -1.894 54.100 56.100 -0.178 0.000 0.889 644 R CB 1.383 31.627 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 32.192 31.700 -0.691 0.000 0.856 646 R N 3.229 123.609 120.500 -0.200 0.000 2.483 646 R HA 0.274 4.615 4.340 0.001 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 0.880 119.971 119.070 0.036 0.000 3.237 647 H HA -0.218 4.339 4.556 0.001 0.000 0.231 647 H C 0.692 176.024 175.328 0.007 0.000 1.148 647 H CA 1.170 57.234 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 0.416 120.292 119.950 -0.124 0.000 2.187 648 F HA 0.155 4.683 4.527 0.001 0.000 0.295 648 F C 0.959 176.494 175.800 -0.442 0.000 1.091 648 F CA 0.721 58.529 58.000 -0.321 0.000 1.308 648 F CB 0.242 38.921 39.000 -0.536 0.000 1.030 648 F HN -0.060 nan 8.300 nan 0.000 0.487 649 F N -0.495 119.517 119.950 0.104 0.000 2.457 649 F HA 0.261 4.789 4.527 0.001 0.000 0.330 649 F C 1.617 177.397 175.800 -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 -3.173 111.474 114.554 0.156 0.000 3.060 650 T HA 0.222 4.572 4.350 0.001 0.000 0.249 650 T C -0.116 174.693 174.700 0.183 0.000 1.079 650 T CA 0.175 62.294 62.100 0.031 0.000 1.013 650 T CB -0.476 68.219 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 4.585 4.350 0.001 0.000 0.280 651 E C -1.432 175.165 176.600 -0.004 0.000 1.079 651 E CA -1.140 55.310 56.400 0.084 0.000 0.840 651 E CB 0.175 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 2.562 121.220 118.700 -0.071 0.000 2.236 652 N HA -0.043 4.698 4.740 0.001 0.000 0.274 652 N C -1.256 174.152 175.510 -0.171 0.000 1.339 652 N CA -0.760 52.207 53.050 -0.138 0.000 0.845 652 N CB 0.706 39.061 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 0.704 177.921 177.300 -0.140 0.000 1.178 653 P CA 0.679 63.525 63.100 -0.423 0.000 0.766 653 P CB 0.085 31.089 31.700 -1.160 0.000 0.876 654 G N -0.307 108.490 108.800 -0.006 0.000 3.337 654 G HA2 0.118 4.079 3.960 0.001 0.000 0.246 654 G HA3 0.118 4.079 3.960 0.001 0.000 0.246 654 G C 1.225 176.289 174.900 0.274 0.000 1.131 654 G CA -0.188 45.005 45.100 0.155 0.000 0.773 654 G HN 0.172 nan 8.290 nan 0.000 0.544 655 L N 0.894 122.196 121.223 0.131 0.000 2.362 655 L HA 0.017 4.357 4.340 0.001 0.000 0.219 655 L C 1.788 178.740 176.870 0.136 0.000 1.134 655 L CA 0.903 55.815 54.840 0.120 0.000 0.807 655 L CB -0.038 41.996 42.059 -0.042 0.000 0.927 655 L HN 0.251 nan 8.230 nan 0.000 0.447 656 D N -0.130 120.342 120.400 0.120 0.000 2.336 656 D HA 0.056 4.696 4.640 0.001 0.000 0.228 656 D C 0.538 176.882 176.300 0.072 0.000 1.120 656 D CA 0.027 54.086 54.000 0.098 0.000 0.839 656 D CB -0.164 40.722 40.800 0.143 0.000 0.932 656 D HN 0.218 nan 8.370 nan 0.000 0.509 657 I N 1.268 121.891 120.570 0.088 0.000 2.365 657 I HA 0.038 4.209 4.170 0.001 0.000 0.291 657 I C 0.553 176.697 176.117 0.046 0.000 1.004 657 I CA -0.841 60.484 61.300 0.041 0.000 1.311 657 I CB 1.160 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 6.649 126.461 119.800 0.020 0.000 2.247 658 Q HA 0.118 4.458 4.340 0.001 0.000 0.288 658 Q C -2.145 173.865 176.000 0.018 0.000 1.079 658 Q CA -1.160 54.655 55.803 0.020 0.000 0.932 658 Q CB 0.033 28.777 28.738 0.010 0.000 1.133 658 Q HN 0.301 nan 8.270 nan 0.000 0.377 659 P HA 0.062 nan 4.420 nan 0.000 0.270 659 P C 0.244 177.563 177.300 0.031 0.000 1.223 659 P CA 0.019 63.139 63.100 0.033 0.000 0.785 659 P CB 0.730 32.461 31.700 0.052 0.000 0.923 660 S N -0.455 115.272 115.700 0.046 0.000 2.470 660 S HA 0.048 4.519 4.470 0.001 0.000 0.225 660 S C -0.110 174.590 174.600 0.166 0.000 1.006 660 S CA 0.774 59.018 58.200 0.075 0.000 0.934 660 S CB -0.402 62.831 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 5.083 4.550 0.002 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 6.528 128.883 122.820 -0.776 0.000 2.513 662 A HA 0.629 4.950 4.320 0.001 0.000 0.285 662 A C -1.929 175.328 177.584 -0.545 0.000 1.047 662 A CA -0.376 51.384 52.037 -0.462 0.000 0.864 662 A CB 0.881 19.778 19.000 -0.172 0.000 1.373 662 A HN 0.842 nan 8.150 nan 0.000 0.403 663 M N 2.629 121.997 119.600 -0.388 0.000 2.253 663 M HA 0.548 5.029 4.480 0.001 0.000 0.314 663 M C -0.325 175.932 176.300 -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 0.629 nan 8.290 nan 0.000 0.430 664 T N 2.577 117.097 114.554 -0.057 0.000 2.882 664 T HA 0.193 4.543 4.350 0.001 0.000 0.287 664 T C 1.063 175.754 174.700 -0.016 0.000 1.014 664 T CA -0.197 61.886 62.100 -0.028 0.000 1.049 664 T CB 1.300 70.150 68.868 -0.031 0.000 1.001 664 T HN 0.849 nan 8.240 nan 0.000 0.525 665 T N 1.851 116.397 114.554 -0.013 0.000 2.746 665 T HA -0.136 4.215 4.350 0.001 0.000 0.267 665 T C 2.364 177.052 174.700 -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 68.451 68.868 -0.027 0.000 0.866 665 T HN 0.759 nan 8.240 nan 0.000 0.444 666 S N 1.867 117.555 115.700 -0.019 0.000 2.368 666 S HA -0.141 4.330 4.470 0.001 0.000 0.225 666 S C 1.870 176.461 174.600 -0.015 0.000 1.030 666 S CA 1.174 59.364 58.200 -0.018 0.000 0.999 666 S CB -0.471 62.718 63.200 -0.017 0.000 0.844 666 S HN 0.626 nan 8.310 nan 0.000 0.459 667 E N 1.876 122.066 120.200 -0.017 0.000 2.150 667 E HA 0.002 4.352 4.350 0.001 0.000 0.193 667 E C 2.436 179.033 176.600 -0.005 0.000 0.985 667 E CA 0.924 57.315 56.400 -0.015 0.000 0.814 667 E CB -0.435 29.248 29.700 -0.027 0.000 0.752 667 E HN 0.729 nan 8.360 nan 0.000 0.466 668 A N 1.911 124.730 122.820 -0.002 0.000 1.902 668 A HA -0.215 4.106 4.320 0.001 0.000 0.217 668 A C 1.987 179.573 177.584 0.002 0.000 1.181 668 A CA 1.396 53.439 52.037 0.010 0.000 0.623 668 A CB -0.245 18.761 19.000 0.010 0.000 0.818 668 A HN 0.031 nan 8.150 nan 0.000 0.443 669 K N -0.854 119.542 120.400 -0.008 0.000 1.985 669 K HA -0.150 4.171 4.320 0.001 0.000 0.210 669 K C 2.358 178.955 176.600 -0.005 0.000 1.047 669 K CA 1.509 57.790 56.287 -0.010 0.000 0.932 669 K CB -0.251 32.240 32.500 -0.015 0.000 0.716 669 K HN 0.376 nan 8.250 nan 0.000 0.439 670 R N 0.761 121.258 120.500 -0.005 0.000 2.185 670 R HA -0.123 4.218 4.340 0.001 0.000 0.247 670 R C 0.700 177.001 176.300 0.001 0.000 1.159 670 R CA 1.222 57.320 56.100 -0.003 0.000 0.988 670 R CB -0.181 30.116 30.300 -0.005 0.000 0.871 670 R HN 0.143 nan 8.270 nan 0.000 0.458 671 A N 1.230 124.054 122.820 0.006 0.000 3.074 671 A HA 0.334 4.654 4.320 0.001 0.000 0.251 671 A C 0.104 177.694 177.584 0.011 0.000 1.695 671 A CA -0.061 51.983 52.037 0.012 0.000 1.343 671 A CB -0.526 18.488 19.000 0.023 0.000 1.078 671 A HN 0.163 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 4.121 4.120 0.001 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