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_D DATA FIRST_RESID 18 DATA SEQUENCE PARPAHPLDP LSTAEIKAAT NTVKSYFAGK KISFNTVTLR EPARKAYIQW DATA SEQUENCE KEQGGPLPPR LAYYVILEAG KPGVKEGLVD LASLSVIETR ALETVQPILT DATA SEQUENCE VEDLCSTEEV IRNDPAVIEQ CVLSGIPANE MHKVYCDPWT IGYDERWGTG DATA SEQUENCE KRLQQALVYY RSDEDDSQYS HPLDFCPIVD TEEKKVIFID IPNRRRKVSK DATA SEQUENCE HKHANFYPKH MIEKVGAMRP EAPPINVTQP EGVSFKMTGN VMEWSNFKFH DATA SEQUENCE IGFNYREGIV LSDVSYNDHG NVRPIFHRIS 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 2.038 124.858 122.820 0.001 0.000 2.450 19 A HA 0.470 4.791 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 51.762 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 2.377 122.883 120.500 0.011 0.000 2.679 20 R HA 0.276 4.616 4.340 0.001 0.000 0.268 20 R C -1.906 174.407 176.300 0.022 0.000 1.044 20 R CA -0.749 55.357 56.100 0.010 0.000 1.105 20 R CB 0.088 30.390 30.300 0.003 0.000 0.989 20 R HN 0.648 nan 8.270 nan 0.000 0.447 21 P HA 0.103 nan 4.420 nan 0.000 0.279 21 P C -0.306 177.035 177.300 0.069 0.000 1.276 21 P CA -0.304 62.830 63.100 0.056 0.000 0.801 21 P CB 0.996 32.741 31.700 0.076 0.000 1.127 22 A N 0.450 123.335 122.820 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 1.452 53.571 52.037 0.136 0.000 0.616 22 A CB -1.531 17.566 19.000 0.161 0.000 0.832 22 A HN 0.791 nan 8.150 nan 0.000 0.443 23 H N -1.412 117.720 119.070 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 -1.952 54.148 56.048 0.087 0.000 1.238 23 H CB 1.796 31.692 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 0.667 177.987 177.300 0.032 0.000 1.145 24 P CA 1.196 64.166 63.100 -0.217 0.000 0.795 24 P CB 0.298 31.671 31.700 -0.544 0.000 0.775 25 L N -1.875 119.491 121.223 0.237 0.000 2.607 25 L HA 0.126 4.466 4.340 0.001 0.000 0.228 25 L C 0.313 177.171 176.870 -0.020 0.000 1.123 25 L CA -0.151 54.609 54.840 -0.132 0.000 0.890 25 L CB -0.455 41.198 42.059 -0.677 0.000 1.103 25 L HN -0.100 nan 8.230 nan 0.000 0.468 26 D N 1.439 121.960 120.400 0.201 0.000 2.423 26 D HA 0.122 4.763 4.640 0.001 0.000 0.238 26 D C -2.040 174.374 176.300 0.191 0.000 1.142 26 D CA -1.002 53.169 54.000 0.285 0.000 0.884 26 D CB 0.559 41.501 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 0.553 121.873 121.223 0.161 0.000 2.485 28 L HA 0.075 4.416 4.340 0.001 0.000 0.275 28 L C 1.213 178.141 176.870 0.098 0.000 1.207 28 L CA 0.126 55.038 54.840 0.119 0.000 0.855 28 L CB -0.105 42.027 42.059 0.122 0.000 1.114 28 L HN 0.505 nan 8.230 nan 0.000 0.485 29 S N -0.282 115.439 115.700 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 57.980 58.200 -0.055 0.000 0.990 29 S CB 1.335 64.503 63.200 -0.053 0.000 0.967 29 S HN 0.765 nan 8.310 nan 0.000 0.556 30 T N -1.072 113.313 114.554 -0.281 0.000 2.759 30 T HA -0.130 4.221 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 1.218 63.190 62.100 -0.214 0.000 1.140 30 T CB -1.124 67.579 68.868 -0.275 0.000 0.864 30 T HN 0.881 nan 8.240 nan 0.000 0.455 31 A N 1.938 124.701 122.820 -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 1.621 53.623 52.037 -0.058 0.000 0.623 31 A CB -0.690 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 -0.297 119.888 120.200 -0.025 0.000 2.077 32 E HA -0.139 4.212 4.350 0.001 0.000 0.193 32 E C 1.891 178.489 176.600 -0.005 0.000 0.989 32 E CA 1.132 57.530 56.400 -0.003 0.000 0.800 32 E CB -0.292 29.420 29.700 0.020 0.000 0.746 32 E HN 0.692 nan 8.360 nan 0.000 0.452 33 I N 1.064 121.629 120.570 -0.007 0.000 2.163 33 I HA -0.299 3.872 4.170 0.001 0.000 0.243 33 I C 2.497 178.569 176.117 -0.075 0.000 1.085 33 I CA 1.124 62.415 61.300 -0.015 0.000 1.347 33 I CB -0.192 37.813 38.000 0.008 0.000 1.044 33 I HN 0.002 nan 8.210 nan 0.000 0.408 34 K N 1.453 121.808 120.400 -0.075 0.000 2.057 34 K HA -0.114 4.207 4.320 0.001 0.000 0.207 34 K C 2.050 178.599 176.600 -0.084 0.000 1.049 34 K CA 1.674 57.903 56.287 -0.096 0.000 0.931 34 K CB -0.414 32.043 32.500 -0.070 0.000 0.714 34 K HN 0.287 nan 8.250 nan 0.000 0.440 35 A N 0.539 123.327 122.820 -0.052 0.000 1.908 35 A HA -0.094 4.227 4.320 0.001 0.000 0.218 35 A C 2.379 179.941 177.584 -0.037 0.000 1.181 35 A CA 2.158 54.175 52.037 -0.034 0.000 0.627 35 A CB -1.146 17.844 19.000 -0.016 0.000 0.818 35 A HN 0.425 nan 8.150 nan 0.000 0.445 36 A N -0.221 122.576 122.820 -0.038 0.000 1.858 36 A HA -0.134 4.187 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 2.794 54.813 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 0.804 nan 8.150 nan 0.000 0.443 37 T N -1.774 112.654 114.554 -0.211 0.000 2.788 37 T HA -0.164 4.186 4.350 0.001 0.000 0.268 37 T C 1.686 176.314 174.700 -0.121 0.000 1.044 37 T CA 1.428 63.286 62.100 -0.404 0.000 1.139 37 T CB -0.599 67.715 68.868 -0.924 0.000 0.867 37 T HN 0.389 nan 8.240 nan 0.000 0.454 38 N N 1.503 120.150 118.700 -0.088 0.000 2.069 38 N HA -0.081 4.660 4.740 0.001 0.000 0.191 38 N C 2.136 177.659 175.510 0.022 0.000 1.031 38 N CA 1.960 55.000 53.050 -0.017 0.000 0.852 38 N CB -1.131 37.343 38.487 -0.021 0.000 1.018 38 N HN 0.508 nan 8.380 nan 0.000 0.423 39 T N 1.177 115.733 114.554 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 1.265 121.187 119.914 0.015 0.000 2.295 40 V HA -0.176 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 1.608 63.926 62.300 0.030 0.000 1.024 40 V CB -0.495 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 -0.021 120.545 120.400 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 0.164 0.000 1.048 41 K CA 1.895 58.332 56.287 0.250 0.000 0.926 41 K CB -0.330 32.295 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 1.702 176.306 174.600 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 1.023 121.228 120.300 -0.158 0.000 2.193 43 Y HA -0.148 4.403 4.550 0.001 0.000 0.285 43 Y C 0.646 176.246 175.900 -0.500 0.000 1.166 43 Y CA 1.359 59.236 58.100 -0.372 0.000 1.181 43 Y CB -0.142 37.981 38.460 -0.562 0.000 0.976 43 Y HN 0.192 nan 8.280 nan 0.000 0.520 44 F N 0.450 120.464 119.950 0.107 0.000 2.983 44 F HA 0.452 4.980 4.527 0.001 0.000 0.307 44 F C 0.733 176.531 175.800 -0.003 0.000 1.218 44 F CA -0.596 57.425 58.000 0.035 0.000 1.323 44 F CB -0.761 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 52.864 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 1.178 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 0.135 175.060 174.900 0.042 0.000 0.977 46 G CA 0.610 45.731 45.100 0.035 0.000 0.652 46 G HN 0.758 nan 8.290 nan 0.000 0.531 47 K N -0.041 120.397 120.400 0.064 0.000 2.207 47 K HA 0.481 4.801 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 -1.039 55.275 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 3.605 123.995 120.400 -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 56.095 56.287 -0.029 0.000 0.989 48 K CB -0.488 31.998 32.500 -0.023 0.000 1.475 48 K HN 0.560 nan 8.250 nan 0.000 0.391 49 I N -0.277 120.231 120.570 -0.104 0.000 2.648 49 I HA 0.601 4.772 4.170 0.001 0.000 0.304 49 I C -0.506 175.485 176.117 -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 3.381 118.922 115.700 -0.264 0.000 2.568 50 S HA 0.670 5.141 4.470 0.001 0.000 0.293 50 S C -0.978 173.443 174.600 -0.298 0.000 1.089 50 S CA -0.668 57.436 58.200 -0.159 0.000 0.945 50 S CB 1.447 64.614 63.200 -0.056 0.000 1.077 50 S HN 0.507 nan 8.310 nan 0.000 0.485 51 F N 2.598 122.538 119.950 -0.017 0.000 2.405 51 F HA 0.457 4.985 4.527 0.001 0.000 0.355 51 F C 1.711 177.509 175.800 -0.003 0.000 1.121 51 F CA -0.618 57.378 58.000 -0.005 0.000 1.112 51 F CB 1.236 40.241 39.000 0.008 0.000 1.126 51 F HN 0.825 nan 8.300 nan 0.000 0.481 52 N N 1.284 120.053 118.700 0.115 0.000 2.436 52 N HA 0.015 4.755 4.740 0.001 0.000 0.178 52 N C -0.343 175.242 175.510 0.125 0.000 1.026 52 N CA 0.755 53.856 53.050 0.085 0.000 0.880 52 N CB 0.602 39.111 38.487 0.037 0.000 1.061 52 N HN 0.537 nan 8.380 nan 0.000 0.434 53 T N 0.594 115.206 114.554 0.097 0.000 3.105 53 T HA 0.447 4.798 4.350 0.001 0.000 0.321 53 T C -1.390 173.333 174.700 0.037 0.000 1.135 53 T CA -0.489 61.592 62.100 -0.032 0.000 1.053 53 T CB 2.583 71.289 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 0.763 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 -1.245 173.596 174.700 0.234 0.000 1.232 55 T CA -0.529 61.695 62.100 0.208 0.000 1.009 55 T CB 1.619 70.613 68.868 0.210 0.000 1.254 55 T HN 0.541 nan 8.240 nan 0.000 0.504 56 L N 3.062 124.412 121.223 0.212 0.000 2.490 56 L HA 0.543 4.884 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 0.188 55.128 54.840 0.166 0.000 0.869 56 L CB 0.355 42.499 42.059 0.141 0.000 1.123 56 L HN 0.608 nan 8.230 nan 0.000 0.484 57 R N 4.617 125.192 120.500 0.126 0.000 2.233 57 R HA 0.315 4.656 4.340 0.001 0.000 0.334 57 R C -0.616 175.710 176.300 0.044 0.000 1.037 57 R CA -0.201 55.947 56.100 0.081 0.000 0.920 57 R CB -0.049 30.310 30.300 0.098 0.000 1.137 57 R HN 0.746 nan 8.270 nan 0.000 0.492 58 E N 5.584 125.794 120.200 0.017 0.000 2.415 58 E HA 0.076 4.427 4.350 0.001 0.000 0.262 58 E C -1.848 174.760 176.600 0.013 0.000 1.038 58 E CA -1.353 55.047 56.400 -0.001 0.000 0.921 58 E CB 0.243 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 -0.005 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 62.914 63.100 0.054 0.000 0.780 59 P CB 0.563 32.305 31.700 0.070 0.000 0.898 60 A N 2.504 125.375 122.820 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 18.655 19.000 0.076 0.000 0.995 60 A HN 0.694 nan 8.150 nan 0.000 0.501 61 R N 1.297 121.851 120.500 0.089 0.000 2.094 61 R HA -0.189 4.151 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 2.212 58.264 56.100 -0.081 0.000 0.943 61 R CB -0.217 29.827 30.300 -0.427 0.000 0.850 61 R HN 0.860 nan 8.270 nan 0.000 0.433 62 K N -0.314 120.064 120.400 -0.036 0.000 2.032 62 K HA -0.164 4.157 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 1.604 57.882 56.287 -0.016 0.000 0.927 62 K CB -0.205 32.294 32.500 -0.002 0.000 0.712 62 K HN 0.289 nan 8.250 nan 0.000 0.441 63 A N 0.359 123.224 122.820 0.075 0.000 1.902 63 A HA -0.208 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 1.520 53.614 52.037 0.095 0.000 0.623 63 A CB -0.917 18.131 19.000 0.081 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 1.976 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 -0.026 120.668 120.570 0.206 0.000 2.286 65 I HA -0.323 3.848 4.170 0.001 0.000 0.248 65 I C 2.527 178.634 176.117 -0.017 0.000 1.115 65 I CA 1.303 62.651 61.300 0.080 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 0.045 119.853 119.800 0.014 0.000 2.084 66 Q HA -0.263 4.078 4.340 0.001 0.000 0.202 66 Q C 1.992 177.977 176.000 -0.025 0.000 0.978 66 Q CA 2.020 57.820 55.803 -0.005 0.000 0.844 66 Q CB -0.347 28.406 28.738 0.025 0.000 0.898 66 Q HN 0.663 nan 8.270 nan 0.000 0.426 67 W N 1.603 122.799 121.300 -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 1.471 58.691 57.345 -0.209 0.000 1.274 67 W CB -0.118 29.192 29.460 -0.251 0.000 1.138 67 W HN -0.058 nan 8.180 nan 0.000 0.515 68 K N 0.470 120.578 120.400 -0.488 0.000 2.062 68 K HA -0.139 4.182 4.320 0.001 0.000 0.205 68 K C 1.120 177.442 176.600 -0.464 0.000 1.051 68 K CA 1.972 57.829 56.287 -0.718 0.000 0.941 68 K CB -0.131 32.110 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 0.454 176.967 176.600 -0.145 0.000 0.951 69 E CA -0.120 56.170 56.400 -0.182 0.000 1.102 69 E CB 0.728 30.368 29.700 -0.099 0.000 1.091 69 E HN 0.051 nan 8.360 nan 0.000 0.507 70 Q N 0.237 119.948 119.800 -0.149 0.000 2.112 70 Q HA 0.180 4.520 4.340 0.001 0.000 0.222 70 Q C 0.747 176.682 176.000 -0.108 0.000 0.798 70 Q CA 0.294 56.036 55.803 -0.102 0.000 1.060 70 Q CB 1.338 30.038 28.738 -0.063 0.000 1.184 70 Q HN 0.415 nan 8.270 nan 0.000 0.475 71 G N 1.021 109.718 108.800 -0.172 0.000 2.258 71 G HA2 -0.288 3.673 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 0.500 nan 8.290 nan 0.000 0.507 72 G N 0.021 108.784 108.800 -0.061 0.000 2.634 72 G HA2 0.606 4.566 3.960 0.001 0.000 0.255 72 G HA3 0.606 4.566 3.960 0.001 0.000 0.255 72 G C -1.227 173.752 174.900 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 -0.289 177.137 177.300 0.210 0.000 1.223 73 P CA -0.615 62.577 63.100 0.153 0.000 0.784 73 P CB 1.059 32.804 31.700 0.076 0.000 0.923 74 L N 4.889 126.202 121.223 0.149 0.000 2.513 74 L HA 0.215 4.556 4.340 0.001 0.000 0.272 74 L C -2.049 174.732 176.870 -0.148 0.000 1.187 74 L CA -1.284 53.475 54.840 -0.135 0.000 0.895 74 L CB -0.904 41.100 42.059 -0.091 0.000 1.147 74 L HN 0.312 nan 8.230 nan 0.000 0.483 75 P HA 0.232 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 -0.906 62.125 63.100 -0.116 0.000 0.784 75 P CB -0.158 31.479 31.700 -0.106 0.000 0.923 76 P HA 0.162 nan 4.420 nan 0.000 0.268 76 P C -0.393 176.896 177.300 -0.018 0.000 1.205 76 P CA -0.090 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 3.282 123.775 120.500 -0.011 0.000 2.248 77 R HA 0.334 4.675 4.340 0.001 0.000 0.337 77 R C -0.805 175.513 176.300 0.030 0.000 1.106 77 R CA 0.071 56.172 56.100 0.002 0.000 0.959 77 R CB -1.019 29.280 30.300 -0.001 0.000 1.075 77 R HN 0.441 nan 8.270 nan 0.000 0.480 78 L N 2.484 123.734 121.223 0.046 0.000 2.334 78 L HA 0.785 5.126 4.340 0.001 0.000 0.273 78 L C -0.154 176.782 176.870 0.109 0.000 1.013 78 L CA -1.369 53.516 54.840 0.075 0.000 0.816 78 L CB 2.066 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 1.750 124.654 122.820 0.141 0.000 2.330 79 A HA 0.553 4.873 4.320 0.001 0.000 0.313 79 A C -1.530 176.209 177.584 0.258 0.000 1.124 79 A CA -0.386 51.762 52.037 0.185 0.000 0.774 79 A CB 0.977 20.073 19.000 0.161 0.000 1.198 79 A HN 0.598 nan 8.150 nan 0.000 0.465 80 Y N 3.358 123.729 120.300 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 -0.822 57.318 58.100 0.067 0.000 1.150 80 Y CB 0.787 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 3.015 122.995 120.300 -0.533 0.000 2.576 81 Y HA 0.832 5.382 4.550 0.001 0.000 0.346 81 Y C -2.065 173.473 175.900 -0.604 0.000 1.018 81 Y CA -1.724 56.136 58.100 -0.401 0.000 1.050 81 Y CB 1.313 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 4.688 124.496 119.914 -0.176 0.000 2.569 82 V HA 0.515 4.636 4.120 0.001 0.000 0.301 82 V C -0.389 175.684 176.094 -0.035 0.000 1.044 82 V CA -0.680 61.525 62.300 -0.158 0.000 0.874 82 V CB 1.340 33.109 31.823 -0.090 0.000 1.002 82 V HN 0.855 nan 8.190 nan 0.000 0.424 83 I N 2.711 123.221 120.570 -0.099 0.000 3.002 83 I HA 0.725 4.895 4.170 0.001 0.000 0.310 83 I C -1.465 174.506 176.117 -0.245 0.000 1.087 83 I CA -0.988 60.157 61.300 -0.259 0.000 1.017 83 I CB 2.324 40.029 38.000 -0.492 0.000 1.226 83 I HN 0.238 nan 8.210 nan 0.000 0.443 84 L N 2.334 123.407 121.223 -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 1.565 121.652 120.200 -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 1.021 53.027 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 1.500 110.280 108.800 -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 1.144 121.521 120.400 -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 2.516 34.981 32.500 -0.058 0.000 1.113 88 K HN 0.178 nan 8.250 nan 0.000 0.431 89 P HA 0.151 nan 4.420 nan 0.000 0.275 89 P C 0.557 177.837 177.300 -0.034 0.000 1.228 89 P CA 0.278 63.367 63.100 -0.019 0.000 0.786 89 P CB 0.845 32.544 31.700 -0.001 0.000 0.927 90 G N 1.375 110.153 108.800 -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 -0.213 174.625 174.900 -0.103 0.000 1.190 90 G CA 0.513 45.576 45.100 -0.061 0.000 0.971 90 G HN 0.944 nan 8.290 nan 0.000 0.559 91 V N -3.762 116.068 119.914 -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 -1.219 175.310 176.600 -0.119 0.000 0.931 92 K CA -0.494 55.727 56.287 -0.111 0.000 0.793 92 K CB 2.377 34.783 32.500 -0.157 0.000 1.211 92 K HN 1.022 nan 8.250 nan 0.000 0.426 93 E N 0.886 120.997 120.200 -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 -0.590 0.000 0.924 93 E CA -1.295 54.853 56.400 -0.420 0.000 0.784 93 E CB 2.285 31.872 29.700 -0.189 0.000 1.292 93 E HN 0.607 nan 8.360 nan 0.000 0.447 94 G N 0.225 108.282 108.800 -1.238 0.000 2.430 94 G HA2 0.424 4.384 3.960 0.001 0.000 0.300 94 G HA3 0.424 4.384 3.960 0.001 0.000 0.300 94 G C -1.808 172.735 174.900 -0.595 0.000 1.330 94 G CA -1.053 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 0.121 121.318 121.223 -0.043 0.000 2.346 95 L HA 0.712 5.053 4.340 0.001 0.000 0.276 95 L C -0.471 176.530 176.870 0.218 0.000 1.006 95 L CA -1.166 53.754 54.840 0.134 0.000 0.817 95 L CB 2.179 44.301 42.059 0.105 0.000 1.272 95 L HN 0.311 nan 8.230 nan 0.000 0.421 96 V N 1.299 121.351 119.914 0.230 0.000 2.459 96 V HA 0.189 4.310 4.120 0.001 0.000 0.295 96 V C -0.640 175.513 176.094 0.099 0.000 1.029 96 V CA -0.536 61.855 62.300 0.150 0.000 0.874 96 V CB 2.052 33.957 31.823 0.137 0.000 0.985 96 V HN 0.714 nan 8.190 nan 0.000 0.438 97 D N 3.636 124.075 120.400 0.065 0.000 2.380 97 D HA 0.305 4.946 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 3.528 124.774 121.223 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 -0.435 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 0.117 122.948 122.820 0.018 0.000 1.883 99 A HA -0.216 4.105 4.320 0.001 0.000 0.217 99 A C 2.326 179.919 177.584 0.014 0.000 1.186 99 A CA 2.167 54.212 52.037 0.013 0.000 0.624 99 A CB -0.657 18.349 19.000 0.011 0.000 0.822 99 A HN 0.502 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 0.451 175.063 174.600 0.019 0.000 0.955 100 S CA 0.031 58.242 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 2.090 123.324 121.223 0.019 0.000 3.965 101 L HA -0.206 4.135 4.340 0.001 0.000 0.476 101 L C -0.045 176.839 176.870 0.022 0.000 1.201 101 L CA 0.553 55.404 54.840 0.018 0.000 0.710 101 L CB -2.263 39.804 42.059 0.013 0.000 1.509 101 L HN 0.739 nan 8.230 nan 0.000 0.815 102 S N -2.190 113.525 115.700 0.025 0.000 2.556 102 S HA 0.689 5.159 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 2.390 65.611 63.200 0.036 0.000 1.114 102 S HN -0.039 nan 8.310 nan 0.000 0.468 103 V N 2.936 122.831 119.914 -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 -0.116 62.117 62.300 -0.112 0.000 1.008 103 V CB 0.207 31.723 31.823 -0.512 0.000 0.990 103 V HN 0.903 nan 8.190 nan 0.000 0.477 104 I N 1.174 121.741 120.570 -0.004 0.000 4.018 104 I HA 0.544 4.714 4.170 0.001 0.000 0.337 104 I C 0.501 176.624 176.117 0.011 0.000 1.327 104 I CA 0.234 61.541 61.300 0.012 0.000 1.100 104 I CB 0.478 38.496 38.000 0.030 0.000 1.025 104 I HN 0.641 nan 8.210 nan 0.000 0.396 105 E N 0.756 120.956 120.200 0.000 0.000 2.388 105 E HA 0.410 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 0.116 nan 8.360 nan 0.000 0.412 106 T N 2.844 117.401 114.554 0.004 0.000 2.889 106 T HA 0.724 5.074 4.350 0.001 0.000 0.315 106 T C -1.890 172.853 174.700 0.071 0.000 1.291 106 T CA -0.627 61.496 62.100 0.037 0.000 1.028 106 T CB 1.091 69.997 68.868 0.062 0.000 1.235 106 T HN 0.656 nan 8.240 nan 0.000 0.491 107 R N 1.338 121.883 120.500 0.075 0.000 2.709 107 R HA 0.797 5.138 4.340 0.001 0.000 0.270 107 R C -1.870 174.464 176.300 0.056 0.000 1.038 107 R CA -1.149 54.994 56.100 0.073 0.000 0.872 107 R CB 0.854 31.184 30.300 0.050 0.000 1.259 107 R HN 0.717 nan 8.270 nan 0.000 0.473 108 A N 2.040 124.890 122.820 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 -0.741 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 0.351 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 0.579 42.607 42.059 -0.051 0.000 1.243 109 L HN 0.921 nan 8.230 nan 0.000 0.449 110 E N 0.307 120.498 120.200 -0.015 0.000 2.427 110 E HA -0.038 4.313 4.350 0.001 0.000 0.196 110 E C 0.462 177.064 176.600 0.005 0.000 1.028 110 E CA 0.886 57.280 56.400 -0.010 0.000 0.864 110 E CB 0.362 30.064 29.700 0.003 0.000 0.813 110 E HN 0.626 nan 8.360 nan 0.000 0.514 111 T N -1.373 113.190 114.554 0.016 0.000 3.313 111 T HA 0.441 4.792 4.350 0.001 0.000 0.263 111 T C -0.195 174.538 174.700 0.055 0.000 0.983 111 T CA -0.446 61.681 62.100 0.044 0.000 0.963 111 T CB 0.235 69.137 68.868 0.057 0.000 1.141 111 T HN -0.177 nan 8.240 nan 0.000 0.526 112 V N 0.676 120.603 119.914 0.021 0.000 3.114 112 V HA 0.615 4.736 4.120 0.001 0.000 0.308 112 V C -1.690 174.401 176.094 -0.006 0.000 1.168 112 V CA -0.788 61.526 62.300 0.023 0.000 1.015 112 V CB 2.580 34.390 31.823 -0.022 0.000 1.050 112 V HN 0.398 nan 8.190 nan 0.000 0.433 113 Q N 3.906 123.729 119.800 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 -1.808 54.009 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 0.279 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 -0.686 62.485 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 0.072 120.738 120.570 0.160 0.000 2.932 115 I HA -0.070 4.101 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 0.005 61.379 61.300 0.123 0.000 1.429 115 I CB 0.070 38.197 38.000 0.213 0.000 1.339 115 I HN 0.129 nan 8.210 nan 0.000 0.589 116 L N 7.271 128.566 121.223 0.121 0.000 2.260 116 L HA 0.285 4.625 4.340 0.001 0.000 0.289 116 L C 0.527 177.500 176.870 0.171 0.000 1.057 116 L CA -0.461 54.474 54.840 0.158 0.000 0.811 116 L CB 1.081 43.278 42.059 0.230 0.000 1.184 116 L HN 0.663 nan 8.230 nan 0.000 0.429 117 T N -0.781 113.792 114.554 0.032 0.000 2.847 117 T HA 0.196 4.547 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 -0.339 61.657 62.100 -0.173 0.000 0.988 117 T CB 1.542 70.207 68.868 -0.338 0.000 1.040 117 T HN 0.386 nan 8.240 nan 0.000 0.528 118 V N -0.578 119.252 119.914 -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 1.822 64.096 62.300 -0.044 0.000 1.066 118 V CB -1.242 30.569 31.823 -0.019 0.000 0.667 118 V HN 0.944 nan 8.190 nan 0.000 0.461 119 E N 0.303 120.474 120.200 -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 57.879 56.400 -0.016 0.000 0.799 119 E CB -0.244 29.443 29.700 -0.021 0.000 0.752 119 E HN 0.647 nan 8.360 nan 0.000 0.449 120 D N 0.724 121.123 120.400 -0.001 0.000 2.133 120 D HA -0.179 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 0.995 55.010 54.000 0.026 0.000 0.840 120 D CB -0.124 40.699 40.800 0.038 0.000 0.947 120 D HN 0.187 nan 8.370 nan 0.000 0.452 121 L N 0.040 121.295 121.223 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 0.637 55.518 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 0.296 119.624 119.300 0.046 0.000 2.403 122 C HA -0.170 4.290 4.460 0.001 0.000 0.282 122 C C 3.270 178.285 174.990 0.043 0.000 1.297 122 C CA 1.445 60.492 59.018 0.047 0.000 1.785 122 C CB -0.909 26.854 27.740 0.039 0.000 1.963 122 C HN 0.705 nan 8.230 nan 0.000 0.507 123 S N -0.692 115.030 115.700 0.037 0.000 2.436 123 S HA -0.122 4.348 4.470 0.001 0.000 0.228 123 S C 1.511 176.132 174.600 0.034 0.000 1.014 123 S CA 1.719 59.937 58.200 0.030 0.000 0.950 123 S CB -0.776 62.438 63.200 0.024 0.000 0.784 123 S HN 0.602 nan 8.310 nan 0.000 0.504 124 T N 2.380 116.962 114.554 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 -0.473 68.441 68.868 0.077 0.000 0.864 124 T HN 0.670 nan 8.240 nan 0.000 0.444 125 E N 0.428 120.662 120.200 0.056 0.000 2.070 125 E HA -0.225 4.126 4.350 0.001 0.000 0.197 125 E C 2.226 178.833 176.600 0.012 0.000 1.004 125 E CA 1.329 57.754 56.400 0.042 0.000 0.805 125 E CB -0.041 29.683 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 -0.138 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 0.933 57.332 56.400 -0.002 0.000 0.811 126 E CB -0.050 29.650 29.700 -0.001 0.000 0.746 126 E HN 0.288 nan 8.360 nan 0.000 0.466 127 V N 0.587 120.512 119.914 0.017 0.000 2.548 127 V HA -0.136 3.985 4.120 0.001 0.000 0.249 127 V C 1.998 178.108 176.094 0.025 0.000 1.055 127 V CA 1.581 63.892 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 -1.510 119.082 120.570 0.037 0.000 2.500 128 I HA -0.029 4.141 4.170 0.001 0.000 0.252 128 I C 2.653 178.801 176.117 0.052 0.000 1.142 128 I CA 1.281 62.615 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 1.814 178.129 176.300 0.024 0.000 1.134 129 R CA 1.641 57.756 56.100 0.024 0.000 0.975 129 R CB -0.431 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 -0.122 52.936 53.050 0.013 0.000 0.845 130 N CB 0.417 38.909 38.487 0.008 0.000 1.004 130 N HN 0.081 nan 8.380 nan 0.000 0.499 131 D N 0.360 120.768 120.400 0.014 0.000 2.280 131 D HA 0.203 4.843 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 -2.170 51.833 54.000 0.004 0.000 0.848 131 D CB 1.784 42.590 40.800 0.010 0.000 1.107 131 D HN -0.016 nan 8.370 nan 0.000 0.471 132 P HA -0.222 nan 4.420 nan 0.000 0.216 132 P C 0.885 178.154 177.300 -0.051 0.000 1.157 132 P CA 1.637 64.720 63.100 -0.028 0.000 0.880 132 P CB 0.134 31.818 31.700 -0.026 0.000 0.791 133 A N -0.828 121.956 122.820 -0.061 0.000 1.902 133 A HA -0.168 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 1.921 53.897 52.037 -0.102 0.000 0.623 133 A CB -1.715 17.223 19.000 -0.103 0.000 0.818 133 A HN 0.036 nan 8.150 nan 0.000 0.443 134 V N 0.207 120.070 119.914 -0.085 0.000 2.343 134 V HA -0.275 3.845 4.120 0.001 0.000 0.247 134 V C 2.424 178.464 176.094 -0.089 0.000 1.051 134 V CA 2.049 64.307 62.300 -0.070 0.000 1.036 134 V CB -0.703 31.167 31.823 0.079 0.000 0.654 134 V HN 0.574 nan 8.190 nan 0.000 0.451 135 I N 0.103 120.647 120.570 -0.043 0.000 2.179 135 I HA -0.292 3.878 4.170 0.001 0.000 0.242 135 I C 2.610 178.684 176.117 -0.073 0.000 1.088 135 I CA 2.127 63.410 61.300 -0.028 0.000 1.357 135 I CB -0.418 37.575 38.000 -0.012 0.000 1.051 135 I HN 0.424 nan 8.210 nan 0.000 0.409 136 E N 0.640 120.778 120.200 -0.103 0.000 2.085 136 E HA -0.290 4.061 4.350 0.001 0.000 0.194 136 E C 2.205 178.696 176.600 -0.181 0.000 0.994 136 E CA 1.294 57.622 56.400 -0.119 0.000 0.801 136 E CB 0.059 29.688 29.700 -0.118 0.000 0.743 136 E HN 0.399 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 2.382 178.167 176.000 -0.359 0.000 0.976 137 Q CA 1.243 56.719 55.803 -0.546 0.000 0.858 137 Q CB -0.618 27.369 28.738 -1.252 0.000 0.907 137 Q HN 0.456 nan 8.270 nan 0.000 0.433 138 C N -0.419 118.785 119.300 -0.160 0.000 2.446 138 C HA -0.046 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 0.315 59.363 59.018 0.050 0.000 1.727 138 C CB -0.900 26.904 27.740 0.106 0.000 2.010 138 C HN 0.249 nan 8.230 nan 0.000 0.486 139 V N 0.651 120.542 119.914 -0.038 0.000 2.343 139 V HA -0.198 3.922 4.120 0.001 0.000 0.247 139 V C 2.395 178.464 176.094 -0.042 0.000 1.051 139 V CA 1.647 63.926 62.300 -0.035 0.000 1.036 139 V CB -0.665 31.136 31.823 -0.037 0.000 0.654 139 V HN 0.403 nan 8.190 nan 0.000 0.451 140 L N 0.129 121.313 121.223 -0.064 0.000 2.127 140 L HA -0.118 4.223 4.340 0.001 0.000 0.211 140 L C 2.378 179.230 176.870 -0.030 0.000 1.089 140 L CA 1.856 56.661 54.840 -0.057 0.000 0.757 140 L CB -0.842 41.163 42.059 -0.090 0.000 0.899 140 L HN 0.283 nan 8.230 nan 0.000 0.434 141 S N -0.858 114.835 115.700 -0.011 0.000 2.603 141 S HA 0.257 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 -0.018 63.258 63.200 0.126 0.000 0.773 141 S HN 0.647 nan 8.310 nan 0.000 0.529 142 G N 1.265 110.045 108.800 -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 -0.124 174.723 174.900 -0.089 0.000 0.998 142 G CA -0.509 44.557 45.100 -0.056 0.000 0.668 142 G HN 0.472 nan 8.290 nan 0.000 0.516 143 I N 1.315 121.843 120.570 -0.071 0.000 2.382 143 I HA 0.308 4.478 4.170 0.001 0.000 0.286 143 I C -2.257 173.853 176.117 -0.013 0.000 1.002 143 I CA -2.514 58.742 61.300 -0.073 0.000 1.135 143 I CB 2.133 40.089 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 0.262 144 P C 0.597 177.916 177.300 0.032 0.000 1.182 144 P CA 0.116 63.228 63.100 0.019 0.000 0.761 144 P CB 0.871 32.591 31.700 0.034 0.000 0.795 145 A N 4.157 126.991 122.820 0.023 0.000 2.076 145 A HA -0.219 4.101 4.320 0.001 0.000 0.220 145 A C 1.550 179.163 177.584 0.048 0.000 1.160 145 A CA 1.821 53.874 52.037 0.027 0.000 0.653 145 A CB -1.288 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 -1.393 117.342 118.700 0.058 0.000 2.383 146 N HA 0.027 4.768 4.740 0.001 0.000 0.192 146 N C 0.432 176.031 175.510 0.147 0.000 1.141 146 N CA 0.345 53.444 53.050 0.082 0.000 0.851 146 N CB 0.069 38.594 38.487 0.064 0.000 0.976 146 N HN 0.542 nan 8.380 nan 0.000 0.465 147 E N -0.035 120.241 120.200 0.126 0.000 2.734 147 E HA 0.183 4.534 4.350 0.001 0.000 0.211 147 E C 0.747 177.345 176.600 -0.003 0.000 0.991 147 E CA -0.330 56.133 56.400 0.103 0.000 1.065 147 E CB 0.367 30.116 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 1.941 178.227 176.300 -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 1.001 176.262 175.328 -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 0.891 120.979 120.400 -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 56.031 56.287 -0.278 0.000 1.103 150 K CB 1.198 33.505 32.500 -0.321 0.000 0.848 150 K HN 0.003 nan 8.250 nan 0.000 0.528 151 V N 2.008 121.929 119.914 0.012 0.000 2.465 151 V HA 0.210 4.330 4.120 0.001 0.000 0.279 151 V C -0.638 175.449 176.094 -0.011 0.000 1.045 151 V CA -0.434 61.960 62.300 0.156 0.000 0.938 151 V CB 0.370 32.274 31.823 0.135 0.000 0.986 151 V HN 0.037 nan 8.190 nan 0.000 0.467 152 Y N 2.646 122.992 120.300 0.077 0.000 2.665 152 Y HA 0.800 5.351 4.550 0.001 0.000 0.336 152 Y C 0.183 176.154 175.900 0.119 0.000 1.085 152 Y CA -1.020 57.124 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 -0.998 58.185 59.018 0.275 0.000 1.265 153 C CB 1.263 29.094 27.740 0.152 0.000 1.632 153 C HN 0.753 nan 8.230 nan 0.000 0.525 154 D N 4.523 125.150 120.400 0.378 0.000 2.317 154 D HA 0.477 5.118 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 1.837 43.003 40.800 0.610 0.000 1.078 154 D HN 0.579 nan 8.370 nan 0.000 0.486 155 P HA 0.176 nan 4.420 nan 0.000 0.286 155 P C -0.713 176.848 177.300 0.435 0.000 1.321 155 P CA -0.484 62.801 63.100 0.310 0.000 0.790 155 P CB 0.356 32.172 31.700 0.192 0.000 0.897 156 W N 1.803 123.188 121.300 0.143 0.000 2.481 156 W HA 0.363 5.023 4.660 0.001 0.000 0.369 156 W C 0.687 177.330 176.519 0.206 0.000 1.235 156 W CA -0.367 57.115 57.345 0.228 0.000 1.344 156 W CB 0.140 29.709 29.460 0.181 0.000 1.360 156 W HN 0.151 nan 8.180 nan 0.000 0.658 157 T N 1.781 116.612 114.554 0.462 0.000 2.813 157 T HA 0.062 4.413 4.350 0.001 0.000 0.297 157 T C 1.147 175.978 174.700 0.218 0.000 1.036 157 T CA -0.465 61.766 62.100 0.218 0.000 1.044 157 T CB 0.662 69.569 68.868 0.066 0.000 0.993 157 T HN 0.465 nan 8.240 nan 0.000 0.535 158 I N 0.420 121.065 120.570 0.125 0.000 3.291 158 I HA 0.076 4.246 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 1.113 62.466 61.300 0.087 0.000 1.428 158 I CB -0.888 37.142 38.000 0.051 0.000 1.070 158 I HN 1.033 nan 8.210 nan 0.000 0.478 159 G N 1.011 109.854 108.800 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 0.613 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 1.907 40.408 38.460 0.069 0.000 1.320 160 Y HN 0.455 nan 8.280 nan 0.000 0.440 161 D N 5.605 125.534 120.400 -0.786 0.000 2.686 161 D HA 0.126 4.767 4.640 0.001 0.000 0.249 161 D C 0.556 176.382 176.300 -0.789 0.000 1.260 161 D CA -0.235 53.447 54.000 -0.531 0.000 0.910 161 D CB 1.499 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 3.637 123.442 120.200 -0.659 0.000 2.396 162 E HA -0.201 4.150 4.350 0.001 0.000 0.200 162 E C 0.816 177.189 176.600 -0.378 0.000 1.023 162 E CA 0.714 56.882 56.400 -0.388 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 -0.819 119.344 120.500 -0.562 0.000 2.193 163 R HA 0.036 4.376 4.340 0.001 0.000 0.213 163 R C 1.358 177.047 176.300 -1.018 0.000 1.055 163 R CA 1.226 56.764 56.100 -0.936 0.000 0.995 163 R CB 0.057 29.398 30.300 -1.598 0.000 0.893 163 R HN 0.336 nan 8.270 nan 0.000 0.459 164 W N -0.714 120.482 121.300 -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 0.458 57.737 57.345 -0.109 0.000 1.396 164 W CB -0.046 29.355 29.460 -0.097 0.000 0.963 164 W HN 0.215 nan 8.180 nan 0.000 0.584 165 G N 2.121 110.953 108.800 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 0.741 175.765 174.900 0.206 0.000 1.233 165 G CA 2.246 47.443 45.100 0.161 0.000 0.993 165 G HN 0.174 nan 8.290 nan 0.000 0.553 166 T N -1.897 112.773 114.554 0.194 0.000 3.174 166 T HA 0.519 4.870 4.350 0.001 0.000 0.269 166 T C 2.059 176.828 174.700 0.115 0.000 1.017 166 T CA 0.972 63.168 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 3.963 3.960 0.001 0.000 0.220 167 G HA3 0.003 3.963 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 0.276 45.438 45.100 0.103 0.000 0.760 167 G HN 0.530 nan 8.290 nan 0.000 0.557 168 K N -0.958 119.485 120.400 0.071 0.000 2.469 168 K HA 0.421 4.741 4.320 0.001 0.000 0.254 168 K C -0.720 175.883 176.600 0.004 0.000 0.939 168 K CA -0.901 55.395 56.287 0.014 0.000 0.812 168 K CB 2.357 34.834 32.500 -0.038 0.000 1.301 168 K HN -0.030 nan 8.250 nan 0.000 0.433 169 R N 2.689 123.184 120.500 -0.009 0.000 2.296 169 R HA 0.206 4.547 4.340 0.001 0.000 0.323 169 R C -1.069 175.215 176.300 -0.026 0.000 1.067 169 R CA -0.289 55.810 56.100 -0.002 0.000 0.946 169 R CB 0.203 30.502 30.300 -0.003 0.000 0.991 169 R HN 0.272 nan 8.270 nan 0.000 0.448 170 L N 3.244 124.454 121.223 -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 2.005 43.985 42.059 -0.132 0.000 1.323 170 L HN 0.660 nan 8.230 nan 0.000 0.425 171 Q N 1.168 120.971 119.800 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 55.009 55.803 0.076 0.000 0.815 171 Q CB 3.195 31.994 28.738 0.103 0.000 1.403 171 Q HN 0.610 nan 8.270 nan 0.000 0.435 172 Q N -0.047 119.818 119.800 0.109 0.000 2.353 172 Q HA 0.795 5.135 4.340 0.001 0.000 0.268 172 Q C -1.536 174.509 176.000 0.076 0.000 1.045 172 Q CA -0.975 54.863 55.803 0.058 0.000 0.811 172 Q CB 1.905 30.653 28.738 0.017 0.000 1.305 172 Q HN 0.544 nan 8.270 nan 0.000 0.447 173 A N 4.736 127.580 122.820 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 0.433 19.472 19.000 0.065 0.000 1.165 173 A HN 0.839 nan 8.150 nan 0.000 0.530 174 L N 4.142 125.329 121.223 -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 54.245 54.840 -0.165 0.000 0.830 174 L CB 0.722 42.701 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 2.583 175 V HA 0.242 4.362 4.120 0.001 0.000 0.287 175 V C -0.296 175.456 176.094 -0.569 0.000 1.051 175 V CA -0.119 61.967 62.300 -0.357 0.000 1.010 175 V CB 0.690 32.210 31.823 -0.505 0.000 0.988 175 V HN 0.423 nan 8.190 nan 0.000 0.478 176 Y N 2.859 123.172 120.300 0.022 0.000 2.665 176 Y HA 0.665 5.216 4.550 0.001 0.000 0.336 176 Y C -0.756 175.270 175.900 0.210 0.000 1.085 176 Y CA -1.011 57.127 58.100 0.062 0.000 1.096 176 Y CB 1.971 40.389 38.460 -0.070 0.000 1.301 176 Y HN 0.578 nan 8.280 nan 0.000 0.493 177 Y N 0.958 121.427 120.300 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 56.985 58.100 0.239 0.000 1.037 177 Y CB 1.332 39.911 38.460 0.199 0.000 1.245 177 Y HN 0.538 nan 8.280 nan 0.000 0.443 178 R N 3.338 123.458 120.500 -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 -1.143 0.000 0.961 178 R CA -0.038 55.580 56.100 -0.804 0.000 0.862 178 R CB 1.766 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 0.226 115.276 115.700 -1.084 0.000 2.470 179 S HA -0.062 4.408 4.470 0.001 0.000 0.225 179 S C 0.385 174.755 174.600 -0.383 0.000 1.006 179 S CA 0.467 58.319 58.200 -0.579 0.000 0.934 179 S CB 0.043 63.110 63.200 -0.222 0.000 0.778 179 S HN 0.668 nan 8.310 nan 0.000 0.517 180 D N 0.401 120.534 120.400 -0.445 0.000 2.857 180 D HA 0.237 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 -0.571 53.274 54.000 -0.259 0.000 0.857 180 D CB 1.620 42.303 40.800 -0.195 0.000 1.645 180 D HN 0.163 nan 8.370 nan 0.000 0.482 181 E N 1.412 121.522 120.200 -0.149 0.000 2.267 181 E HA -0.215 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 1.025 57.350 56.400 -0.124 0.000 0.830 181 E CB 0.024 29.720 29.700 -0.007 0.000 0.751 181 E HN 0.349 nan 8.360 nan 0.000 0.491 182 D N 1.072 121.356 120.400 -0.193 0.000 2.340 182 D HA 0.034 4.674 4.640 0.001 0.000 0.220 182 D C -0.131 176.039 176.300 -0.217 0.000 1.039 182 D CA 0.179 54.059 54.000 -0.200 0.000 0.866 182 D CB -0.033 40.660 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 0.157 176.238 176.300 -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 41.217 40.800 -0.628 0.000 1.150 183 D HN -0.206 nan 8.370 nan 0.000 0.458 184 S N -0.099 115.408 115.700 -0.321 0.000 2.461 184 S HA 0.047 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 -0.180 0.000 1.120 184 S CB 0.382 63.490 63.200 -0.153 0.000 0.968 184 S HN 0.346 nan 8.310 nan 0.000 0.467 185 Q N 3.875 123.508 119.800 -0.279 0.000 2.308 185 Q HA -0.211 4.130 4.340 0.001 0.000 0.209 185 Q C 0.456 176.335 176.000 -0.201 0.000 0.985 185 Q CA 1.790 57.432 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 2.170 122.431 120.300 -0.065 0.000 2.465 186 Y HA -0.148 4.403 4.550 0.001 0.000 0.289 186 Y C 2.610 178.705 175.900 0.326 0.000 1.150 186 Y CA 1.304 59.420 58.100 0.026 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 4.453 4.470 0.001 0.000 0.217 187 S C 0.131 174.763 174.600 0.053 0.000 0.975 187 S CA 0.214 58.604 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 2.286 121.431 119.070 0.126 0.000 2.336 188 H HA 0.462 5.019 4.556 0.001 0.000 0.230 188 H C -2.798 172.649 175.328 0.199 0.000 1.426 188 H CA -1.695 54.427 56.048 0.124 0.000 1.359 188 H CB 0.889 30.715 29.762 0.106 0.000 1.555 188 H HN 0.359 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 -0.380 62.602 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 1.421 122.432 121.223 -0.353 0.000 2.358 190 L HA 0.263 4.604 4.340 0.001 0.000 0.268 190 L C 1.693 178.385 176.870 -0.297 0.000 1.032 190 L CA -0.527 54.142 54.840 -0.284 0.000 0.805 190 L CB 0.872 42.710 42.059 -0.368 0.000 1.253 190 L HN 0.381 nan 8.230 nan 0.000 0.452 191 D N -0.298 120.041 120.400 -0.101 0.000 2.347 191 D HA -0.061 4.580 4.640 0.001 0.000 0.213 191 D C 0.176 176.635 176.300 0.264 0.000 0.985 191 D CA 0.340 54.376 54.000 0.061 0.000 0.879 191 D CB -0.110 40.755 40.800 0.109 0.000 0.919 191 D HN 0.230 nan 8.370 nan 0.000 0.526 192 F N -0.566 119.445 119.950 0.103 0.000 2.497 192 F HA 0.612 5.140 4.527 0.001 0.000 0.331 192 F C -0.545 175.293 175.800 0.064 0.000 1.060 192 F CA -2.180 55.873 58.000 0.088 0.000 0.989 192 F CB 1.124 40.150 39.000 0.042 0.000 1.245 192 F HN -0.118 nan 8.300 nan 0.000 0.486 193 C N 3.823 123.249 119.300 0.210 0.000 2.407 193 C HA 0.635 5.095 4.460 0.001 0.000 0.328 193 C C -2.872 172.230 174.990 0.187 0.000 1.137 193 C CA -1.980 57.087 59.018 0.081 0.000 1.390 193 C CB 0.528 28.266 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 -0.167 63.033 63.100 0.166 0.000 0.789 194 P CB 0.516 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 60.646 61.300 -0.037 0.000 1.191 195 I CB 1.229 39.132 38.000 -0.161 0.000 1.343 195 I HN 0.042 nan 8.210 nan 0.000 0.458 196 V N 5.120 124.989 119.914 -0.076 0.000 2.555 196 V HA 0.282 4.403 4.120 0.001 0.000 0.302 196 V C 0.042 176.082 176.094 -0.091 0.000 1.038 196 V CA -0.813 61.450 62.300 -0.061 0.000 0.887 196 V CB 2.352 34.173 31.823 -0.003 0.000 0.991 196 V HN 0.613 nan 8.190 nan 0.000 0.434 197 D N 3.120 123.464 120.400 -0.093 0.000 2.374 197 D HA 0.104 4.745 4.640 0.001 0.000 0.240 197 D C 1.258 177.534 176.300 -0.041 0.000 1.229 197 D CA 0.162 54.109 54.000 -0.088 0.000 0.895 197 D CB 1.581 42.332 40.800 -0.082 0.000 1.046 197 D HN 0.630 nan 8.370 nan 0.000 0.498 198 T N 2.994 117.532 114.554 -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 63.226 62.100 -0.004 0.000 1.156 198 T CB 0.099 68.973 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 0.318 176.908 176.600 -0.017 0.000 1.395 199 E CA 0.078 56.469 56.400 -0.016 0.000 1.648 199 E CB 0.416 30.103 29.700 -0.022 0.000 1.524 199 E HN 0.465 nan 8.360 nan 0.000 0.462 200 E N -0.101 120.090 120.200 -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 -0.011 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 1.726 122.120 120.400 -0.009 0.000 3.278 201 K HA -0.240 4.080 4.320 0.001 0.000 0.270 201 K C -0.337 176.261 176.600 -0.004 0.000 0.955 201 K CA 1.327 57.612 56.287 -0.004 0.000 0.723 201 K CB -1.479 31.022 32.500 0.001 0.000 1.382 201 K HN 0.264 nan 8.250 nan 0.000 0.461 202 K N -2.280 118.113 120.400 -0.011 0.000 2.527 202 K HA 0.485 4.806 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 1.783 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 4.075 123.985 119.914 -0.007 0.000 2.470 203 V HA 0.084 4.205 4.120 0.001 0.000 0.276 203 V C 1.222 177.312 176.094 -0.007 0.000 1.040 203 V CA -0.205 62.092 62.300 -0.006 0.000 1.008 203 V CB 0.317 32.147 31.823 0.011 0.000 0.990 203 V HN 0.885 nan 8.190 nan 0.000 0.477 204 I N 1.793 122.348 120.570 -0.026 0.000 3.941 204 I HA 0.524 4.694 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 61.832 61.300 0.010 0.000 1.226 204 I CB 0.394 38.329 38.000 -0.108 0.000 1.045 204 I HN 0.463 nan 8.210 nan 0.000 0.420 205 F N 0.936 120.860 119.950 -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 -1.033 57.001 58.000 0.057 0.000 0.954 205 F CB 1.520 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 3.891 124.306 120.570 -0.259 0.000 2.478 206 I HA 0.280 4.450 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 -0.810 60.496 61.300 0.009 0.000 1.067 206 I CB 1.753 39.713 38.000 -0.067 0.000 1.233 206 I HN 0.357 nan 8.210 nan 0.000 0.431 207 D N 7.768 128.391 120.400 0.372 0.000 2.339 207 D HA 0.411 5.051 4.640 0.001 0.000 0.256 207 D C -0.239 176.229 176.300 0.279 0.000 1.214 207 D CA 0.376 54.633 54.000 0.430 0.000 0.877 207 D CB 1.504 42.569 40.800 0.441 0.000 1.111 207 D HN 0.305 nan 8.370 nan 0.000 0.478 208 I N 4.546 125.240 120.570 0.207 0.000 2.436 208 I HA 0.236 4.407 4.170 0.001 0.000 0.289 208 I C -1.902 174.304 176.117 0.148 0.000 1.010 208 I CA -1.908 59.488 61.300 0.160 0.000 1.098 208 I CB 2.103 40.133 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 -0.238 177.120 177.300 0.098 0.000 1.237 209 P CA -0.355 62.833 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 0.727 119.474 118.700 0.077 0.000 2.216 210 N HA -0.054 4.687 4.740 0.001 0.000 0.183 210 N C 0.620 176.164 175.510 0.057 0.000 1.017 210 N CA 0.900 53.980 53.050 0.051 0.000 0.861 210 N CB -0.087 38.421 38.487 0.036 0.000 0.986 210 N HN 0.469 nan 8.380 nan 0.000 0.428 211 R N 1.976 122.523 120.500 0.079 0.000 2.196 211 R HA 0.284 4.624 4.340 0.001 0.000 0.340 211 R C -0.266 176.085 176.300 0.085 0.000 1.043 211 R CA -0.330 55.815 56.100 0.076 0.000 0.883 211 R CB 0.341 30.693 30.300 0.088 0.000 1.078 211 R HN -0.151 nan 8.270 nan 0.000 0.462 212 R N 2.921 123.458 120.500 0.061 0.000 2.410 212 R HA 0.385 4.725 4.340 0.001 0.000 0.288 212 R C -0.269 176.056 176.300 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 1.413 121.934 120.500 0.037 0.000 2.502 213 R HA 0.329 4.670 4.340 0.001 0.000 0.300 213 R C -0.377 175.921 176.300 -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 0.353 nan 8.270 nan 0.000 0.444 214 K N 1.243 121.638 120.400 -0.008 0.000 2.107 214 K HA 0.336 4.656 4.320 0.001 0.000 0.251 214 K C -0.085 176.499 176.600 -0.027 0.000 1.012 214 K CA -0.858 55.423 56.287 -0.010 0.000 0.920 214 K CB 0.846 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 0.999 120.892 119.914 -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 0.006 0.000 1.120 215 V CA -0.118 62.165 62.300 -0.029 0.000 1.254 215 V CB 0.572 32.329 31.823 -0.110 0.000 0.901 215 V HN 0.802 nan 8.190 nan 0.000 0.503 216 S N 2.804 118.515 115.700 0.018 0.000 2.549 216 S HA 0.112 4.583 4.470 0.001 0.000 0.286 216 S C 0.800 175.493 174.600 0.154 0.000 1.314 216 S CA -0.190 58.020 58.200 0.017 0.000 1.062 216 S CB 0.281 63.330 63.200 -0.251 0.000 0.865 216 S HN 0.793 nan 8.310 nan 0.000 0.498 217 K N 2.344 122.778 120.400 0.056 0.000 2.404 217 K HA 0.129 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 0.029 56.329 56.287 0.021 0.000 1.094 217 K CB 0.070 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 1.104 120.276 119.070 0.170 0.000 2.597 218 H HA 0.069 4.626 4.556 0.001 0.000 0.370 218 H C 0.066 175.602 175.328 0.347 0.000 1.281 218 H CA -0.186 55.971 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 0.316 120.984 120.400 0.446 0.000 2.154 219 K HA 0.208 4.529 4.320 0.001 0.000 0.264 219 K C -0.726 176.164 176.600 0.483 0.000 1.008 219 K CA -0.679 55.848 56.287 0.401 0.000 0.937 219 K CB 0.454 33.122 32.500 0.279 0.000 1.002 219 K HN 0.499 nan 8.250 nan 0.000 0.469 220 H N 0.129 119.332 119.070 0.222 0.000 2.897 220 H HA 0.117 4.674 4.556 0.001 0.000 0.347 220 H C -0.239 175.085 175.328 -0.006 0.000 1.068 220 H CA 0.590 56.721 56.048 0.139 0.000 1.426 220 H CB 0.646 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 4.498 127.234 122.820 -0.141 0.000 2.527 221 A HA 0.198 4.519 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 51.119 52.037 -0.351 0.000 1.060 221 A CB -0.489 18.034 19.000 -0.796 0.000 1.137 221 A HN 0.665 nan 8.150 nan 0.000 0.542 222 N N 0.918 119.447 118.700 -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 -0.330 52.409 53.050 -0.519 0.000 0.959 222 N CB 1.104 38.940 38.487 -1.084 0.000 1.206 222 N HN 0.591 nan 8.380 nan 0.000 0.545 223 F N -2.416 117.486 119.950 -0.081 0.000 2.915 223 F HA 0.440 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 57.152 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 -1.028 174.932 175.900 0.099 0.000 1.266 224 Y CA -1.509 56.708 58.100 0.195 0.000 1.391 224 Y CB 0.175 38.672 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 1.110 178.437 177.300 0.045 0.000 1.157 225 P CA 2.776 65.935 63.100 0.099 0.000 0.880 225 P CB 0.107 31.855 31.700 0.079 0.000 0.791 226 K N -1.011 119.366 120.400 -0.037 0.000 2.103 226 K HA -0.213 4.107 4.320 0.001 0.000 0.207 226 K C 1.726 178.265 176.600 -0.101 0.000 1.048 226 K CA 1.761 57.974 56.287 -0.122 0.000 0.930 226 K CB -1.167 31.189 32.500 -0.240 0.000 0.716 226 K HN 0.265 nan 8.250 nan 0.000 0.444 227 H N -0.078 119.016 119.070 0.039 0.000 2.395 227 H HA 0.068 4.625 4.556 0.001 0.000 0.299 227 H C 2.118 177.468 175.328 0.037 0.000 1.070 227 H CA 1.419 57.481 56.048 0.023 0.000 1.356 227 H CB 0.076 29.839 29.762 0.001 0.000 1.401 227 H HN 0.081 nan 8.280 nan 0.000 0.524 228 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 1.271 56.640 55.300 0.116 0.000 1.114 228 M CB -0.673 31.986 32.600 0.099 0.000 1.361 228 M HN 0.319 nan 8.290 nan 0.000 0.408 229 I N -0.262 120.345 120.570 0.062 0.000 2.264 229 I HA -0.294 3.877 4.170 0.001 0.000 0.248 229 I C 2.505 178.651 176.117 0.047 0.000 1.111 229 I CA 1.313 62.639 61.300 0.043 0.000 1.382 229 I CB -0.357 37.658 38.000 0.024 0.000 1.060 229 I HN 0.423 nan 8.210 nan 0.000 0.418 230 E N 0.961 121.196 120.200 0.058 0.000 2.112 230 E HA -0.230 4.120 4.350 0.001 0.000 0.190 230 E C 2.149 178.793 176.600 0.073 0.000 0.979 230 E CA 0.824 57.261 56.400 0.062 0.000 0.814 230 E CB 0.220 29.962 29.700 0.071 0.000 0.762 230 E HN 0.330 nan 8.360 nan 0.000 0.460 231 K N 0.425 120.877 120.400 0.087 0.000 1.991 231 K HA -0.056 4.264 4.320 0.001 0.000 0.207 231 K C 1.263 177.908 176.600 0.074 0.000 1.045 231 K CA 1.287 57.627 56.287 0.090 0.000 0.937 231 K CB 0.159 32.721 32.500 0.102 0.000 0.720 231 K HN 0.074 nan 8.250 nan 0.000 0.438 232 V N -2.739 117.215 119.914 0.067 0.000 3.369 232 V HA 0.499 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 62.152 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 -0.096 108.727 108.800 0.038 0.000 2.552 233 G HA2 0.333 4.294 3.960 0.001 0.000 0.216 233 G HA3 0.333 4.294 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 1.490 46.609 45.100 0.032 0.000 0.796 233 G HN 1.748 nan 8.290 nan 0.000 0.568 234 A N -2.309 120.529 122.820 0.029 0.000 2.557 234 A HA 0.677 4.998 4.320 0.001 0.000 0.292 234 A C -0.435 177.166 177.584 0.028 0.000 1.139 234 A CA -0.651 51.402 52.037 0.027 0.000 0.665 234 A CB 0.647 19.660 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 0.692 177.004 176.300 0.020 0.000 1.134 235 M CA 0.271 55.586 55.300 0.025 0.000 1.171 235 M CB -0.077 32.538 32.600 0.025 0.000 1.413 235 M HN 0.729 nan 8.290 nan 0.000 0.467 236 R N 0.629 121.140 120.500 0.017 0.000 2.615 236 R HA 0.356 4.697 4.340 0.001 0.000 0.270 236 R C -2.079 174.228 176.300 0.012 0.000 1.081 236 R CA -1.365 54.743 56.100 0.014 0.000 1.154 236 R CB -0.568 29.739 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 -0.727 176.578 177.300 0.008 0.000 1.209 237 P CA -0.255 62.851 63.100 0.009 0.000 0.776 237 P CB 0.500 32.205 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 0.271 4.621 4.350 0.001 0.000 0.261 238 E C -0.456 176.148 176.600 0.006 0.000 0.987 238 E CA 0.049 56.454 56.400 0.007 0.000 0.926 238 E CB 0.096 29.801 29.700 0.008 0.000 0.934 238 E HN 0.468 nan 8.360 nan 0.000 0.452 239 A N 5.355 128.178 122.820 0.005 0.000 2.302 239 A HA 0.498 4.819 4.320 0.001 0.000 0.285 239 A C -2.131 175.456 177.584 0.004 0.000 1.105 239 A CA -1.485 50.554 52.037 0.004 0.000 0.816 239 A CB -0.017 18.985 19.000 0.002 0.000 1.067 239 A HN 0.644 nan 8.150 nan 0.000 0.489 240 P HA 0.150 nan 4.420 nan 0.000 0.261 240 P C -2.143 175.160 177.300 0.005 0.000 1.183 240 P CA -0.323 62.780 63.100 0.005 0.000 0.761 240 P CB -0.132 31.570 31.700 0.004 0.000 0.785 241 P HA 0.128 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 0.347 63.451 63.100 0.007 0.000 0.780 241 P CB 0.921 32.626 31.700 0.008 0.000 0.898 242 I N 2.551 123.126 120.570 0.008 0.000 2.420 242 I HA 0.207 4.378 4.170 0.001 0.000 0.282 242 I C -0.003 176.121 176.117 0.012 0.000 1.019 242 I CA -0.637 60.668 61.300 0.009 0.000 1.130 242 I CB 1.024 39.028 38.000 0.008 0.000 1.262 242 I HN 0.198 nan 8.210 nan 0.000 0.454 243 N N 6.106 124.815 118.700 0.014 0.000 2.421 243 N HA 0.424 5.165 4.740 0.001 0.000 0.285 243 N C -0.753 174.770 175.510 0.022 0.000 1.027 243 N CA -0.389 52.671 53.050 0.017 0.000 0.918 243 N CB 2.913 41.409 38.487 0.016 0.000 1.152 243 N HN 0.157 nan 8.380 nan 0.000 0.485 244 V N 1.746 121.676 119.914 0.027 0.000 2.409 244 V HA 0.486 4.606 4.120 0.001 0.000 0.291 244 V C 0.068 176.185 176.094 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 1.938 116.515 114.554 0.038 0.000 2.900 245 T HA 0.638 4.988 4.350 0.001 0.000 0.295 245 T C -0.731 173.993 174.700 0.041 0.000 1.044 245 T CA -0.810 61.312 62.100 0.036 0.000 0.995 245 T CB 2.252 71.136 68.868 0.027 0.000 1.072 245 T HN 0.490 nan 8.240 nan 0.000 0.473 246 Q N 1.929 121.753 119.800 0.039 0.000 2.907 246 Q HA 0.257 4.598 4.340 0.001 0.000 0.262 246 Q C -1.676 174.337 176.000 0.022 0.000 0.997 246 Q CA -2.079 53.746 55.803 0.038 0.000 0.797 246 Q CB 1.521 30.288 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 0.071 177.375 177.300 0.007 0.000 1.151 247 P CA 1.395 64.503 63.100 0.013 0.000 0.849 247 P CB 0.452 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 0.377 4.727 4.350 0.001 0.000 0.194 248 E C 0.892 177.484 176.600 -0.013 0.000 1.027 248 E CA -0.008 56.391 56.400 -0.001 0.000 0.914 248 E CB 0.066 29.767 29.700 0.002 0.000 1.054 248 E HN 0.273 nan 8.360 nan 0.000 0.461 249 G N 0.727 109.517 108.800 -0.016 0.000 2.698 249 G HA2 -0.233 3.728 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 -0.167 174.699 174.900 -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 -2.610 117.214 119.914 -0.149 0.000 2.975 250 V HA 0.874 4.994 4.120 0.001 0.000 0.318 250 V C 1.465 177.464 176.094 -0.159 0.000 1.077 250 V CA 0.873 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 1.646 117.362 115.700 0.025 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 -0.744 62.566 63.200 0.185 0.000 0.776 251 S HN 1.060 nan 8.310 nan 0.000 0.526 252 F N 1.236 121.342 119.950 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 -1.271 56.867 58.000 0.231 0.000 1.079 252 F CB 0.789 39.898 39.000 0.181 0.000 1.240 252 F HN -0.079 nan 8.300 nan 0.000 0.519 253 K N 4.020 124.564 120.400 0.239 0.000 2.471 253 K HA 0.464 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 2.635 122.259 119.600 0.040 0.000 2.364 254 M HA 0.265 4.746 4.480 0.001 0.000 0.334 254 M C -0.641 175.656 176.300 -0.004 0.000 1.107 254 M CA -0.670 54.604 55.300 -0.043 0.000 0.988 254 M CB 2.135 34.644 32.600 -0.151 0.000 1.673 254 M HN 0.498 nan 8.290 nan 0.000 0.441 255 T N 2.587 117.132 114.554 -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 0.316 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 3.755 112.579 108.800 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 0.665 175.549 174.900 -0.028 0.000 1.146 256 G CA -0.123 45.003 45.100 0.043 0.000 0.961 256 G HN 0.522 nan 8.290 nan 0.000 0.549 257 N N 0.575 119.223 118.700 -0.088 0.000 2.336 257 N HA 0.190 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 -0.487 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 0.253 176.182 176.094 -0.276 0.000 1.047 258 V CA -0.490 61.696 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 5.259 124.553 119.600 -0.511 0.000 2.404 259 M HA 0.544 5.024 4.480 0.001 0.000 0.338 259 M C -0.633 175.403 176.300 -0.441 0.000 1.150 259 M CA 0.150 55.082 55.300 -0.614 0.000 1.016 259 M CB 1.467 33.334 32.600 -1.222 0.000 1.672 259 M HN 0.651 nan 8.290 nan 0.000 0.448 260 E N 3.501 123.599 120.200 -0.170 0.000 2.241 260 E HA 0.486 4.837 4.350 0.001 0.000 0.263 260 E C -2.274 174.432 176.600 0.176 0.000 0.882 260 E CA -0.303 56.091 56.400 -0.010 0.000 0.769 260 E CB 1.780 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 2.602 123.910 121.300 0.014 0.000 3.827 261 W HA 0.192 4.853 4.660 0.001 0.000 0.307 261 W C -0.304 176.307 176.519 0.152 0.000 1.204 261 W CA -0.405 57.000 57.345 0.101 0.000 1.250 261 W CB 1.466 30.992 29.460 0.111 0.000 1.281 261 W HN 0.441 nan 8.180 nan 0.000 0.494 262 S N 5.033 120.313 115.700 -0.699 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 -0.488 0.000 0.980 262 S CA 2.007 59.742 58.200 -0.775 0.000 1.204 262 S CB -1.320 60.956 63.200 -1.539 0.000 0.915 262 S HN 0.999 nan 8.310 nan 0.000 0.482 263 N N -2.395 116.045 118.700 -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 -0.545 0.000 0.870 263 N CA 1.739 54.389 53.050 -0.666 0.000 1.030 263 N CB -1.469 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 1.544 121.451 119.950 -0.072 0.000 2.389 264 F HA 0.436 4.964 4.527 0.001 0.000 0.337 264 F C 0.933 176.811 175.800 0.129 0.000 1.112 264 F CA 0.208 58.321 58.000 0.188 0.000 1.192 264 F CB 0.929 40.190 39.000 0.436 0.000 1.185 264 F HN -0.166 nan 8.300 nan 0.000 0.552 265 K N 4.240 124.889 120.400 0.415 0.000 2.535 265 K HA 0.585 4.905 4.320 0.001 0.000 0.250 265 K C -1.813 174.987 176.600 0.333 0.000 0.948 265 K CA -0.479 55.925 56.287 0.195 0.000 0.796 265 K CB 1.463 34.035 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 -1.611 174.185 175.800 -0.006 0.000 1.149 266 F CA -1.156 56.859 58.000 0.025 0.000 0.930 266 F CB 0.996 39.980 39.000 -0.027 0.000 1.312 266 F HN 0.425 nan 8.300 nan 0.000 0.450 267 H N 2.722 121.849 119.070 0.095 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 -0.103 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 5.641 125.942 120.570 -0.449 0.000 2.281 268 I HA 0.209 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 38.756 38.000 -0.165 0.000 1.430 268 I HN 0.537 nan 8.210 nan 0.000 0.489 269 G N 5.257 114.052 108.800 -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 44.870 45.100 0.150 0.000 1.002 269 G HN 0.394 nan 8.290 nan 0.000 0.493 270 F N 0.520 120.501 119.950 0.052 0.000 2.672 270 F HA 0.475 5.003 4.527 0.001 0.000 0.311 270 F C -1.203 174.675 175.800 0.129 0.000 1.113 270 F CA -0.918 57.121 58.000 0.065 0.000 0.996 270 F CB 2.110 41.144 39.000 0.057 0.000 1.286 270 F HN 0.811 nan 8.300 nan 0.000 0.441 271 N N 2.161 120.760 118.700 -0.169 0.000 2.610 271 N HA 0.229 4.970 4.740 0.001 0.000 0.264 271 N C 0.114 175.556 175.510 -0.113 0.000 1.348 271 N CA -0.489 52.626 53.050 0.110 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 -0.632 119.547 120.300 -0.201 0.000 2.241 272 Y HA -0.034 4.517 4.550 0.001 0.000 0.286 272 Y C 2.096 177.524 175.900 -0.786 0.000 1.166 272 Y CA 1.567 59.133 58.100 -0.890 0.000 1.203 272 Y CB -0.421 37.122 38.460 -1.528 0.000 0.977 272 Y HN 0.659 nan 8.280 nan 0.000 0.529 273 R N 0.375 119.928 120.500 -1.579 0.000 2.051 273 R HA 0.039 4.380 4.340 0.001 0.000 0.218 273 R C 2.004 177.853 176.300 -0.753 0.000 1.188 273 R CA 1.189 56.488 56.100 -1.336 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 -0.304 119.562 120.200 -0.556 0.000 2.435 274 E HA 0.140 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 0.463 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 2.077 110.480 108.800 -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 0.099 174.427 174.900 -0.952 0.000 1.146 275 G CA -0.145 44.337 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 0.356 4.526 4.170 0.001 0.000 0.284 276 I C 0.274 176.258 176.117 -0.221 0.000 1.146 276 I CA 0.028 61.296 61.300 -0.053 0.000 1.425 276 I CB 0.948 39.009 38.000 0.101 0.000 1.383 276 I HN 0.316 nan 8.210 nan 0.000 0.562 277 V N 7.863 127.658 119.914 -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 -0.549 61.600 62.300 -0.252 0.000 0.850 277 V CB 1.587 33.322 31.823 -0.148 0.000 1.005 277 V HN 0.447 nan 8.190 nan 0.000 0.426 278 L N 4.228 125.212 121.223 -0.398 0.000 2.265 278 L HA 0.638 4.978 4.340 0.001 0.000 0.288 278 L C 0.287 177.056 176.870 -0.167 0.000 1.058 278 L CA 0.229 54.917 54.840 -0.254 0.000 0.809 278 L CB 1.400 43.200 42.059 -0.432 0.000 1.179 278 L HN 0.616 nan 8.230 nan 0.000 0.429 279 S N 0.692 116.372 115.700 -0.033 0.000 2.671 279 S HA 0.282 4.753 4.470 0.001 0.000 0.299 279 S C -0.452 174.152 174.600 0.006 0.000 1.116 279 S CA -0.620 57.499 58.200 -0.135 0.000 0.912 279 S CB 1.717 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 0.979 121.335 120.400 -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 1.220 121.264 119.914 0.216 0.000 2.432 281 V HA 0.560 4.681 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 62.725 62.300 0.274 0.000 0.945 281 V CB 1.424 33.387 31.823 0.233 0.000 0.992 281 V HN 0.492 nan 8.190 nan 0.000 0.471 282 S N 4.382 120.268 115.700 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 -0.478 175.465 175.900 0.071 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 0.026 0.000 1.199 283 Y HN 0.851 nan 8.280 nan 0.000 0.450 284 N N 4.929 123.403 118.700 -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 53.031 53.050 -0.203 0.000 0.973 284 N CB 0.086 38.412 38.487 -0.268 0.000 1.305 284 N HN 0.668 nan 8.380 nan 0.000 0.506 285 D N 2.487 123.025 120.400 0.230 0.000 2.508 285 D HA 0.036 4.676 4.640 0.001 0.000 0.224 285 D C -0.358 176.044 176.300 0.169 0.000 1.171 285 D CA -0.012 54.196 54.000 0.348 0.000 1.006 285 D CB -0.765 40.312 40.800 0.462 0.000 1.073 285 D HN 0.543 nan 8.370 nan 0.000 0.513 286 H N 1.658 120.787 119.070 0.099 0.000 2.506 286 H HA -0.208 4.348 4.556 0.001 0.000 0.323 286 H C 1.501 176.842 175.328 0.023 0.000 1.076 286 H CA 1.012 57.083 56.048 0.039 0.000 1.108 286 H CB -0.932 28.855 29.762 0.043 0.000 1.569 286 H HN 0.693 nan 8.280 nan 0.000 0.399 287 G N 0.020 108.856 108.800 0.061 0.000 2.308 287 G HA2 -0.351 3.610 3.960 0.001 0.000 0.221 287 G HA3 -0.351 3.610 3.960 0.001 0.000 0.221 287 G C 0.307 175.230 174.900 0.038 0.000 1.032 287 G CA 0.053 45.178 45.100 0.042 0.000 0.623 287 G HN 0.746 nan 8.290 nan 0.000 0.506 288 N N 0.844 119.583 118.700 0.064 0.000 2.439 288 N HA 0.408 5.149 4.740 0.001 0.000 0.243 288 N C -0.024 175.530 175.510 0.072 0.000 1.088 288 N CA -0.312 52.771 53.050 0.055 0.000 0.940 288 N CB 0.668 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 0.171 4.292 4.120 0.001 0.000 0.260 289 V C 0.359 176.508 176.094 0.092 0.000 1.054 289 V CA -0.111 62.230 62.300 0.067 0.000 0.967 289 V CB 0.024 31.871 31.823 0.040 0.000 1.036 289 V HN 0.615 nan 8.190 nan 0.000 0.481 290 R N 5.948 126.542 120.500 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 1.447 31.861 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 -0.087 177.246 177.300 0.056 0.000 1.223 291 P CA 0.015 63.182 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 -0.266 120.233 120.570 -0.118 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 -0.627 0.000 1.134 292 I CA 0.444 61.402 61.300 -0.570 0.000 1.519 292 I CB 0.205 37.630 38.000 -0.958 0.000 1.598 292 I HN 0.128 nan 8.210 nan 0.000 0.442 293 F N -0.167 119.734 119.950 -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 57.052 58.000 -0.074 0.000 0.921 293 F CB 0.790 39.699 39.000 -0.151 0.000 1.209 293 F HN -0.022 nan 8.300 nan 0.000 0.462 294 H N 1.221 120.364 119.070 0.120 0.000 2.465 294 H HA 0.304 4.860 4.556 0.001 0.000 0.289 294 H C 0.090 175.400 175.328 -0.029 0.000 1.022 294 H CA 0.755 56.817 56.048 0.024 0.000 1.340 294 H CB 0.593 30.326 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 -0.125 0.000 2.579 295 R HA 0.371 4.712 4.340 0.001 0.000 0.260 295 R C -2.182 173.973 176.300 -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 32.028 30.300 -0.253 0.000 1.251 295 R HN 0.232 nan 8.270 nan 0.000 0.450 296 I N 2.640 123.018 120.570 -0.320 0.000 2.692 296 I HA 0.648 4.819 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 -0.095 60.967 61.300 -0.396 0.000 1.036 296 I CB 2.141 39.837 38.000 -0.507 0.000 1.258 296 I HN 0.947 nan 8.210 nan 0.000 0.421 297 S N 6.074 121.632 115.700 -0.238 0.000 2.663 297 S HA 0.489 4.959 4.470 0.001 0.000 0.264 297 S C -1.733 172.977 174.600 0.183 0.000 1.112 297 S CA -1.087 57.059 58.200 -0.091 0.000 0.823 297 S CB 0.883 63.988 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 -0.155 54.806 54.840 0.201 0.000 0.807 298 L CB 1.690 43.891 42.059 0.237 0.000 1.177 298 L HN 1.019 nan 8.230 nan 0.000 0.429 299 S N 0.672 116.403 115.700 0.053 0.000 2.502 299 S HA 0.217 4.688 4.470 0.001 0.000 0.215 299 S C 0.288 174.881 174.600 -0.011 0.000 1.009 299 S CA -0.208 58.050 58.200 0.098 0.000 0.908 299 S CB 0.509 63.828 63.200 0.197 0.000 0.801 299 S HN 0.656 nan 8.310 nan 0.000 0.505 300 E N -0.678 119.405 120.200 -0.195 0.000 2.403 300 E HA 0.663 5.013 4.350 0.001 0.000 0.280 300 E C -1.771 174.634 176.600 -0.327 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 -0.495 0.000 1.303 300 E HN 0.308 nan 8.360 nan 0.000 0.441 301 M N 1.503 121.020 119.600 -0.138 0.000 2.683 301 M HA 0.656 5.137 4.480 0.001 0.000 0.274 301 M C -1.372 175.024 176.300 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 0.892 121.510 120.570 0.081 0.000 2.685 302 I HA 0.390 4.561 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 8.979 128.875 119.914 -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 -0.056 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 -0.144 177.183 177.300 0.044 0.000 1.274 304 P CA 0.184 63.309 63.100 0.041 0.000 0.770 304 P CB 1.674 33.344 31.700 -0.051 0.000 0.867 305 A N 3.408 126.276 122.820 0.081 0.000 2.332 305 A HA 0.532 4.852 4.320 0.001 0.000 0.258 305 A C 1.413 178.980 177.584 -0.027 0.000 1.087 305 A CA -0.027 52.053 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 -0.152 108.626 108.800 -0.036 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 0.481 175.221 174.900 -0.267 0.000 1.097 306 G CA 0.711 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 1.416 116.873 115.700 -0.405 0.000 2.475 307 S HA 0.442 4.913 4.470 0.001 0.000 0.281 307 S C -0.934 173.332 174.600 -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 0.101 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 0.136 62.959 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 0.129 120.234 120.200 -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 -0.073 0.000 1.036 309 E CA -0.781 55.617 56.400 -0.003 0.000 0.876 309 E CB 0.503 30.275 29.700 0.120 0.000 1.009 309 E HN 0.046 nan 8.360 nan 0.000 0.416 310 F N 4.644 124.480 119.950 -0.191 0.000 2.529 310 F HA 0.083 4.611 4.527 0.001 0.000 0.365 310 F C -1.367 174.141 175.800 -0.487 0.000 1.102 310 F CA -1.503 56.342 58.000 -0.259 0.000 1.271 310 F CB 0.868 39.781 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 -0.135 176.703 177.300 -0.770 0.000 1.737 311 P CA 0.253 62.562 63.100 -1.319 0.000 1.130 311 P CB -0.402 30.674 31.700 -1.040 0.000 1.572 312 H N 0.098 118.925 119.070 -0.405 0.000 2.561 312 H HA -0.095 4.462 4.556 0.001 0.000 0.278 312 H C 1.575 176.769 175.328 -0.223 0.000 1.014 312 H CA 0.732 56.598 56.048 -0.304 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 0.686 120.385 119.800 -0.168 0.000 2.224 313 Q HA -0.053 4.288 4.340 0.001 0.000 0.203 313 Q C 1.496 177.545 176.000 0.082 0.000 0.970 313 Q CA 0.870 56.627 55.803 -0.077 0.000 0.865 313 Q CB -0.020 28.654 28.738 -0.107 0.000 0.922 313 Q HN 0.390 nan 8.270 nan 0.000 0.445 314 R N 0.928 121.410 120.500 -0.030 0.000 2.346 314 R HA 0.071 4.412 4.340 0.001 0.000 0.199 314 R C -0.128 176.186 176.300 0.023 0.000 1.015 314 R CA 0.330 56.444 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 4.428 4.320 0.001 0.000 0.257 315 K C -0.452 176.321 176.600 0.288 0.000 1.062 315 K CA -0.193 56.196 56.287 0.170 0.000 0.971 315 K CB 0.661 33.190 32.500 0.049 0.000 1.305 315 K HN 0.291 nan 8.250 nan 0.000 0.449 316 H N 0.329 119.534 119.070 0.225 0.000 3.383 316 H HA 0.166 4.723 4.556 0.001 0.000 0.204 316 H C -0.849 174.541 175.328 0.104 0.000 1.262 316 H CA -0.698 55.414 56.048 0.107 0.000 1.350 316 H CB -0.707 29.063 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 0.304 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 -0.187 51.824 52.037 -0.043 0.000 0.757 317 A CB 0.110 19.035 19.000 -0.125 0.000 0.991 317 A HN 0.480 nan 8.150 nan 0.000 0.503 318 L N 3.657 124.836 121.223 -0.074 0.000 2.475 318 L HA 0.193 4.534 4.340 0.001 0.000 0.253 318 L C 0.755 177.538 176.870 -0.144 0.000 1.137 318 L CA -0.066 54.752 54.840 -0.037 0.000 1.058 318 L CB 0.478 42.554 42.059 0.029 0.000 1.382 318 L HN 0.760 nan 8.230 nan 0.000 0.416 319 D N 1.292 121.634 120.400 -0.096 0.000 2.133 319 D HA -0.254 4.387 4.640 0.001 0.000 0.192 319 D C 2.041 178.243 176.300 -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 0.071 0.000 0.944 319 D HN 0.490 nan 8.370 nan 0.000 0.447 320 I N 0.911 121.344 120.570 -0.228 0.000 2.179 320 I HA -0.173 3.997 4.170 0.001 0.000 0.242 320 I C 2.563 178.459 176.117 -0.369 0.000 1.088 320 I CA 1.484 62.585 61.300 -0.332 0.000 1.357 320 I CB -0.313 37.514 38.000 -0.288 0.000 1.051 320 I HN 0.020 nan 8.210 nan 0.000 0.409 321 G N -0.443 108.176 108.800 -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 0.858 177.082 176.600 -0.627 0.000 0.995 322 E CA 0.262 56.358 56.400 -0.508 0.000 0.915 322 E CB 0.355 29.627 29.700 -0.715 0.000 0.930 322 E HN 0.554 nan 8.360 nan 0.000 0.496 323 Y N -0.489 119.762 120.300 -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 0.248 58.324 58.100 -0.040 0.000 1.189 323 Y CB 1.044 39.459 38.460 -0.075 0.000 1.333 323 Y HN -0.047 nan 8.280 nan 0.000 0.494 324 G N 0.780 109.507 108.800 -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 0.566 175.190 174.900 -0.461 0.000 1.056 324 G CA -0.277 44.601 45.100 -0.370 0.000 0.891 324 G HN 0.636 nan 8.290 nan 0.000 0.514 325 A N 1.220 123.632 122.820 -0.680 0.000 2.172 325 A HA 0.407 4.728 4.320 0.001 0.000 0.216 325 A C 2.429 179.765 177.584 -0.412 0.000 1.154 325 A CA 2.287 53.770 52.037 -0.925 0.000 0.701 325 A CB -0.221 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 1.325 176.334 174.900 0.182 0.000 1.194 326 G CA 0.660 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 0.499 120.634 120.300 -0.275 0.000 2.241 327 Y HA 0.009 4.560 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 0.565 58.531 58.100 -0.223 0.000 1.203 327 Y CB -0.122 38.216 38.460 -0.204 0.000 0.977 327 Y HN 0.101 nan 8.280 nan 0.000 0.529 328 M N -0.933 118.778 119.600 0.186 0.000 2.431 328 M HA 0.073 4.553 4.480 0.001 0.000 0.237 328 M C 0.650 177.127 176.300 0.296 0.000 1.130 328 M CA 0.181 55.599 55.300 0.196 0.000 1.002 328 M CB -1.015 31.673 32.600 0.146 0.000 1.524 328 M HN -0.093 nan 8.290 nan 0.000 0.482 329 T N 2.577 117.332 114.554 0.337 0.000 2.930 329 T HA 0.107 4.458 4.350 0.001 0.000 0.306 329 T C 0.378 175.245 174.700 0.277 0.000 1.045 329 T CA 0.018 62.346 62.100 0.381 0.000 1.134 329 T CB 0.393 69.549 68.868 0.480 0.000 0.961 329 T HN 0.244 nan 8.240 nan 0.000 0.545 330 N N 5.056 123.892 118.700 0.227 0.000 2.518 330 N HA 0.337 5.078 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 -1.799 51.337 53.050 0.144 0.000 0.983 330 N CB 0.894 39.446 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 0.403 177.700 177.300 -0.004 0.000 1.253 331 P CA -0.310 62.790 63.100 0.000 0.000 0.766 331 P CB 0.645 32.334 31.700 -0.019 0.000 0.845 332 L N 2.517 123.738 121.223 -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 1.272 56.141 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 -0.187 115.391 115.700 -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 1.409 59.466 58.200 -0.238 0.000 1.043 333 S CB -0.215 62.763 63.200 -0.371 0.000 0.986 333 S HN 0.338 nan 8.310 nan 0.000 0.423 334 L N 0.814 122.001 121.223 -0.060 0.000 1.978 334 L HA -0.159 4.182 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 1.683 56.511 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 -1.525 107.284 108.800 0.015 0.000 2.537 335 G HA2 -0.245 3.716 3.960 0.001 0.000 0.220 335 G HA3 -0.245 3.716 3.960 0.001 0.000 0.220 335 G C 0.953 175.867 174.900 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 -0.351 118.968 119.300 0.032 0.000 4.497 336 C HA -0.162 4.299 4.460 0.001 0.000 0.292 336 C C 1.450 176.461 174.990 0.034 0.000 1.366 336 C CA 0.088 59.126 59.018 0.033 0.000 1.987 336 C CB -2.485 25.268 27.740 0.022 0.000 1.241 336 C HN 0.630 nan 8.230 nan 0.000 0.788 337 D N 0.023 120.453 120.400 0.050 0.000 2.144 337 D HA -0.010 4.631 4.640 0.001 0.000 0.199 337 D C 0.837 177.173 176.300 0.059 0.000 0.984 337 D CA 1.561 55.596 54.000 0.058 0.000 0.834 337 D CB 0.029 40.871 40.800 0.070 0.000 0.955 337 D HN 0.727 nan 8.370 nan 0.000 0.465 338 C N 1.231 120.551 119.300 0.033 0.000 2.298 338 C HA 0.512 4.973 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 -1.629 57.334 59.018 -0.092 0.000 1.577 338 C CB 0.666 28.305 27.740 -0.169 0.000 2.249 338 C HN 0.066 nan 8.230 nan 0.000 0.497 339 K N 2.068 122.370 120.400 -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 0.789 57.023 56.287 -0.088 0.000 0.890 339 K CB 1.067 33.557 32.500 -0.018 0.000 1.073 339 K HN 1.190 nan 8.250 nan 0.000 0.454 340 G N 0.782 109.560 108.800 -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 -1.156 173.753 174.900 0.015 0.000 1.247 340 G CA -0.587 44.522 45.100 0.014 0.000 1.020 340 G HN 0.435 nan 8.290 nan 0.000 0.529 341 V N 2.264 122.218 119.914 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 31.878 31.823 0.083 0.000 1.170 341 V HN 0.541 nan 8.190 nan 0.000 0.494 342 I N 3.780 124.352 120.570 0.004 0.000 2.577 342 I HA 0.434 4.604 4.170 0.001 0.000 0.300 342 I C 0.147 176.206 176.117 -0.097 0.000 0.990 342 I CA -0.259 60.963 61.300 -0.131 0.000 1.283 342 I CB 1.016 38.737 38.000 -0.464 0.000 1.411 342 I HN 0.516 nan 8.210 nan 0.000 0.515 343 H N 5.449 124.388 119.070 -0.217 0.000 2.609 343 H HA 0.445 5.002 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 55.636 56.048 -0.085 0.000 1.216 343 H CB 1.179 31.035 29.762 0.157 0.000 1.529 343 H HN 0.383 nan 8.280 nan 0.000 0.519 344 Y N 3.305 123.654 120.300 0.081 0.000 2.567 344 Y HA 0.485 5.035 4.550 0.001 0.000 0.333 344 Y C -0.012 175.934 175.900 0.077 0.000 1.106 344 Y CA -0.804 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 0.385 nan 8.280 nan 0.000 0.490 345 L N 1.542 122.876 121.223 0.185 0.000 2.388 345 L HA 0.488 4.829 4.340 0.001 0.000 0.264 345 L C -1.249 175.560 176.870 -0.103 0.000 0.998 345 L CA -1.029 53.832 54.840 0.035 0.000 0.817 345 L CB 2.154 44.199 42.059 -0.023 0.000 1.338 345 L HN 0.566 nan 8.230 nan 0.000 0.414 346 D N 0.860 121.153 120.400 -0.178 0.000 2.326 346 D HA 0.715 5.356 4.640 0.001 0.000 0.248 346 D C -0.501 175.435 176.300 -0.607 0.000 1.001 346 D CA -0.204 53.586 54.000 -0.350 0.000 0.961 346 D CB 2.260 42.880 40.800 -0.300 0.000 1.183 346 D HN 0.577 nan 8.370 nan 0.000 0.502 347 A N 0.796 123.134 122.820 -0.804 0.000 2.374 347 A HA 0.651 4.972 4.320 0.001 0.000 0.317 347 A C -1.068 175.788 177.584 -1.214 0.000 1.094 347 A CA -0.631 50.854 52.037 -0.921 0.000 0.765 347 A CB 1.176 19.664 19.000 -0.855 0.000 1.268 347 A HN 0.572 nan 8.150 nan 0.000 0.438 348 H N 0.792 119.510 119.070 -0.587 0.000 2.667 348 H HA 0.654 5.211 4.556 0.001 0.000 0.353 348 H C -1.494 173.605 175.328 -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 -0.195 119.917 119.950 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 -1.035 57.129 58.000 0.272 0.000 1.021 349 F CB 1.003 40.265 39.000 0.436 0.000 1.438 349 F HN 0.335 nan 8.300 nan 0.000 0.516 350 S N -0.424 115.509 115.700 0.387 0.000 2.578 350 S HA 0.628 5.099 4.470 0.001 0.000 0.301 350 S C -1.278 173.422 174.600 0.166 0.000 1.091 350 S CA -0.662 57.643 58.200 0.175 0.000 1.032 350 S CB 0.878 64.117 63.200 0.066 0.000 1.064 350 S HN 0.601 nan 8.310 nan 0.000 0.508 351 D N 1.424 121.879 120.400 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 0.290 41.126 40.800 0.059 0.000 1.142 351 D HN 0.522 nan 8.370 nan 0.000 0.575 352 R N -0.459 120.096 120.500 0.093 0.000 2.133 352 R HA -0.207 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 1.760 57.940 56.100 0.132 0.000 0.971 352 R CB -0.594 29.746 30.300 0.067 0.000 0.866 352 R HN 0.578 nan 8.270 nan 0.000 0.447 353 A N -0.822 122.083 122.820 0.141 0.000 2.167 353 A HA 0.137 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 1.068 53.188 52.037 0.139 0.000 0.735 353 A CB -0.116 18.925 19.000 0.068 0.000 0.802 353 A HN 0.610 nan 8.150 nan 0.000 0.467 354 G N -0.977 107.807 108.800 -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 -0.263 0.000 0.988 354 G CA 0.109 44.923 45.100 -0.477 0.000 0.659 354 G HN 0.464 nan 8.290 nan 0.000 0.522 355 D N 1.230 121.571 120.400 -0.099 0.000 2.177 355 D HA 0.460 5.101 4.640 0.001 0.000 0.247 355 D C -2.475 173.818 176.300 -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 -0.414 176.925 177.300 0.065 0.000 1.193 356 P CA 0.127 63.248 63.100 0.034 0.000 0.765 356 P CB 0.423 32.118 31.700 -0.008 0.000 0.823 357 I N -0.864 119.776 120.570 0.117 0.000 2.646 357 I HA 0.680 4.850 4.170 0.001 0.000 0.299 357 I C -0.657 175.512 176.117 0.086 0.000 1.036 357 I CA -0.673 60.694 61.300 0.112 0.000 1.074 357 I CB 2.545 40.637 38.000 0.153 0.000 1.258 357 I HN 0.063 nan 8.210 nan 0.000 0.430 358 T N 3.984 118.568 114.554 0.050 0.000 2.876 358 T HA 0.503 4.854 4.350 0.001 0.000 0.289 358 T C -0.749 173.893 174.700 -0.097 0.000 1.014 358 T CA -0.601 61.471 62.100 -0.046 0.000 0.986 358 T CB 2.210 71.117 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 -0.385 175.595 176.094 -0.189 0.000 1.018 359 V CA -0.859 61.370 62.300 -0.118 0.000 0.842 359 V CB 1.075 32.897 31.823 -0.001 0.000 0.996 359 V HN 0.692 nan 8.190 nan 0.000 0.426 360 K N 4.566 124.887 120.400 -0.132 0.000 2.350 360 K HA 0.235 4.555 4.320 0.001 0.000 0.279 360 K C 0.463 176.963 176.600 -0.167 0.000 1.027 360 K CA 0.565 56.762 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 0.889 119.482 118.700 -0.178 0.000 2.696 361 N HA -0.261 4.480 4.740 0.001 0.000 0.256 361 N C 0.398 175.883 175.510 -0.041 0.000 1.031 361 N CA 0.343 53.308 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 -0.644 122.105 122.820 -0.118 0.000 1.970 362 A HA 0.168 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 1.057 53.015 52.037 -0.132 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 -0.266 119.633 119.914 -0.025 0.000 2.555 363 V HA 0.432 4.553 4.120 0.001 0.000 0.302 363 V C -0.223 175.957 176.094 0.142 0.000 1.038 363 V CA -0.736 61.611 62.300 0.078 0.000 0.887 363 V CB 1.094 32.937 31.823 0.033 0.000 0.991 363 V HN 0.566 nan 8.190 nan 0.000 0.434 364 C N 5.597 124.961 119.300 0.107 0.000 2.455 364 C HA 0.876 5.337 4.460 0.001 0.000 0.320 364 C C -0.686 174.297 174.990 -0.012 0.000 1.226 364 C CA -0.667 58.329 59.018 -0.036 0.000 1.569 364 C CB -0.051 27.663 27.740 -0.043 0.000 2.200 364 C HN 0.784 nan 8.230 nan 0.000 0.491 365 I N 6.253 126.773 120.570 -0.084 0.000 2.509 365 I HA 0.672 4.843 4.170 0.001 0.000 0.293 365 I C -0.243 175.853 176.117 -0.035 0.000 1.020 365 I CA -0.063 61.166 61.300 -0.117 0.000 1.088 365 I CB 1.828 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 4.029 122.910 119.070 -0.315 0.000 2.935 366 H HA 0.410 4.967 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 1.216 30.975 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 -1.008 175.590 176.600 -0.003 0.000 0.914 367 E CA -0.873 55.445 56.400 -0.137 0.000 0.794 367 E CB 3.031 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 1.265 121.445 120.200 -0.033 0.000 2.445 368 E HA 0.245 4.596 4.350 0.001 0.000 0.279 368 E C -1.223 175.411 176.600 0.057 0.000 1.018 368 E CA -1.023 55.406 56.400 0.048 0.000 0.816 368 E CB 1.231 30.963 29.700 0.054 0.000 1.356 368 E HN 0.495 nan 8.360 nan 0.000 0.462 369 D N 0.224 120.661 120.400 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 0.388 54.420 54.000 0.053 0.000 0.885 369 D CB 1.031 41.856 40.800 0.042 0.000 1.198 369 D HN 0.499 nan 8.370 nan 0.000 0.437 370 D N 1.924 122.344 120.400 0.034 0.000 2.819 370 D HA 0.316 4.957 4.640 0.001 0.000 0.326 370 D C 0.532 176.837 176.300 0.009 0.000 1.408 370 D CA 0.374 54.384 54.000 0.017 0.000 0.811 370 D CB -0.092 40.728 40.800 0.032 0.000 1.148 370 D HN 0.712 nan 8.370 nan 0.000 0.457 371 G N 0.278 109.080 108.800 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 -0.384 174.504 174.900 -0.020 0.000 1.277 371 G CA -0.234 44.862 45.100 -0.007 0.000 0.910 371 G HN 0.300 nan 8.290 nan 0.000 0.576 372 L N 0.507 121.715 121.223 -0.025 0.000 2.349 372 L HA 0.410 4.751 4.340 0.001 0.000 0.275 372 L C 1.698 178.527 176.870 -0.069 0.000 1.115 372 L CA -0.694 54.115 54.840 -0.052 0.000 0.820 372 L CB 1.206 43.250 42.059 -0.026 0.000 1.135 372 L HN 0.578 nan 8.230 nan 0.000 0.445 373 L N 4.060 125.168 121.223 -0.193 0.000 2.168 373 L HA 0.253 4.594 4.340 0.001 0.000 0.203 373 L C -0.175 176.629 176.870 -0.111 0.000 1.078 373 L CA 1.298 55.998 54.840 -0.233 0.000 0.780 373 L CB 0.197 41.947 42.059 -0.515 0.000 0.939 373 L HN 0.584 nan 8.230 nan 0.000 0.451 374 F N -2.646 117.326 119.950 0.036 0.000 2.769 374 F HA 0.547 5.075 4.527 0.001 0.000 0.313 374 F C -0.833 174.996 175.800 0.048 0.000 1.146 374 F CA -1.765 56.258 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 0.830 121.439 120.400 0.349 0.000 2.568 375 K HA 0.654 4.974 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 -0.889 55.549 56.287 0.253 0.000 0.854 375 K CB 2.481 35.053 32.500 0.119 0.000 1.424 375 K HN 1.121 nan 8.250 nan 0.000 0.427 376 H N -0.010 119.127 119.070 0.112 0.000 3.129 376 H HA 0.439 4.996 4.556 0.001 0.000 0.342 376 H C -1.989 173.395 175.328 0.094 0.000 1.092 376 H CA -0.245 55.851 56.048 0.081 0.000 1.310 376 H CB 1.856 31.661 29.762 0.071 0.000 1.932 376 H HN 0.531 nan 8.280 nan 0.000 0.507 377 S N 3.108 118.392 115.700 -0.693 0.000 2.568 377 S HA 0.261 4.732 4.470 0.001 0.000 0.293 377 S C -1.276 173.135 174.600 -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 0.667 nan 8.310 nan 0.000 0.485 378 D N 1.399 121.797 120.400 -0.005 0.000 2.274 378 D HA 0.253 4.894 4.640 0.001 0.000 0.239 378 D C 0.805 177.112 176.300 0.012 0.000 1.104 378 D CA -0.901 53.099 54.000 0.000 0.000 0.840 378 D CB 0.607 41.358 40.800 -0.080 0.000 1.100 378 D HN 0.430 nan 8.370 nan 0.000 0.477 379 F N 3.643 123.639 119.950 0.076 0.000 2.365 379 F HA 0.040 4.568 4.527 0.001 0.000 0.300 379 F C 1.831 177.483 175.800 -0.246 0.000 1.090 379 F CA 0.382 58.235 58.000 -0.246 0.000 1.408 379 F CB -0.350 38.619 39.000 -0.052 0.000 1.060 379 F HN 0.219 nan 8.300 nan 0.000 0.534 380 R N 0.985 120.880 120.500 -1.007 0.000 2.117 380 R HA -0.173 4.168 4.340 0.001 0.000 0.243 380 R C 0.496 176.621 176.300 -0.292 0.000 1.143 380 R CA 1.743 57.456 56.100 -0.645 0.000 0.968 380 R CB -0.786 29.155 30.300 -0.597 0.000 0.863 380 R HN 0.551 nan 8.270 nan 0.000 0.444 381 D N -1.584 118.668 120.400 -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 0.368 118.883 118.700 -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 0.661 53.414 53.050 -0.494 0.000 0.714 382 N CB -1.096 37.245 38.487 -0.242 0.000 0.959 382 N HN 0.272 nan 8.380 nan 0.000 0.544 383 F N -5.485 114.468 119.950 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 0.495 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 0.120 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 1.859 53.963 52.037 0.112 0.000 0.620 384 A CB -0.466 18.564 19.000 0.049 0.000 0.819 384 A HN 0.342 nan 8.150 nan 0.000 0.442 385 T N 1.041 115.641 114.554 0.077 0.000 2.752 385 T HA 0.441 4.792 4.350 0.001 0.000 0.295 385 T C -0.243 174.513 174.700 0.093 0.000 0.923 385 T CA 0.681 62.816 62.100 0.058 0.000 1.112 385 T CB 0.172 69.048 68.868 0.014 0.000 0.884 385 T HN 0.358 nan 8.240 nan 0.000 0.525 386 S N 3.470 119.237 115.700 0.112 0.000 2.543 386 S HA 0.682 5.153 4.470 0.001 0.000 0.274 386 S C -1.903 172.779 174.600 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 0.221 0.000 1.111 386 S HN 0.664 nan 8.310 nan 0.000 0.457 387 L N 3.868 125.183 121.223 0.152 0.000 2.436 387 L HA 0.902 5.243 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 1.841 43.991 42.059 0.152 0.000 1.291 387 L HN 0.566 nan 8.230 nan 0.000 0.406 388 V N 2.804 122.830 119.914 0.187 0.000 2.623 388 V HA 0.547 4.667 4.120 0.001 0.000 0.304 388 V C -0.559 175.558 176.094 0.039 0.000 1.054 388 V CA -0.412 61.965 62.300 0.128 0.000 0.882 388 V CB 2.105 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 4.823 119.299 114.554 -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 1.218 69.723 68.868 -0.604 0.000 0.942 389 T HN 0.522 nan 8.240 nan 0.000 0.439 390 R N 1.514 121.917 120.500 -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 -0.517 55.517 56.100 -0.110 0.000 1.080 390 R CB 0.826 31.103 30.300 -0.039 0.000 1.030 390 R HN 0.684 nan 8.270 nan 0.000 0.491 391 A N 1.302 124.084 122.820 -0.063 0.000 2.306 391 A HA 0.423 4.743 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 20.436 19.000 0.011 0.000 1.130 391 A HN 0.642 nan 8.150 nan 0.000 0.496 392 T N 0.868 115.523 114.554 0.167 0.000 2.893 392 T HA 0.617 4.968 4.350 0.001 0.000 0.293 392 T C -0.721 174.218 174.700 0.399 0.000 1.027 392 T CA -0.752 61.493 62.100 0.242 0.000 0.988 392 T CB 0.871 69.900 68.868 0.269 0.000 1.043 392 T HN 0.882 nan 8.240 nan 0.000 0.461 393 K N 3.796 124.318 120.400 0.204 0.000 2.267 393 K HA 0.687 5.008 4.320 0.001 0.000 0.246 393 K C -1.138 175.230 176.600 -0.387 0.000 0.954 393 K CA -1.227 55.082 56.287 0.037 0.000 0.824 393 K CB 1.900 34.391 32.500 -0.014 0.000 1.167 393 K HN 0.483 nan 8.250 nan 0.000 0.431 394 L N 3.060 123.765 121.223 -0.863 0.000 2.296 394 L HA 0.431 4.771 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 1.693 42.705 42.059 -1.746 0.000 1.223 394 L HN 0.573 nan 8.230 nan 0.000 0.421 395 V N 5.724 125.361 119.914 -0.461 0.000 2.444 395 V HA 0.392 4.513 4.120 0.001 0.000 0.294 395 V C -0.138 175.905 176.094 -0.085 0.000 1.022 395 V CA -0.683 61.489 62.300 -0.212 0.000 0.850 395 V CB 2.063 33.733 31.823 -0.256 0.000 0.992 395 V HN 0.489 nan 8.190 nan 0.000 0.426 396 V N 3.932 123.905 119.914 0.098 0.000 2.334 396 V HA 0.598 4.718 4.120 0.001 0.000 0.281 396 V C 0.168 176.402 176.094 0.235 0.000 1.016 396 V CA -0.003 62.383 62.300 0.142 0.000 0.832 396 V CB 1.445 33.384 31.823 0.194 0.000 0.999 396 V HN 0.885 nan 8.190 nan 0.000 0.439 397 S N 4.212 120.008 115.700 0.160 0.000 2.634 397 S HA 0.868 5.339 4.470 0.001 0.000 0.296 397 S C -0.937 173.715 174.600 0.086 0.000 1.104 397 S CA -0.555 57.684 58.200 0.066 0.000 0.920 397 S CB 2.043 65.229 63.200 -0.023 0.000 1.111 397 S HN 0.928 nan 8.310 nan 0.000 0.493 398 Q N 1.804 121.617 119.800 0.021 0.000 2.534 398 Q HA 0.695 5.035 4.340 0.001 0.000 0.290 398 Q C -1.892 174.133 176.000 0.041 0.000 0.991 398 Q CA -0.915 54.968 55.803 0.133 0.000 0.783 398 Q CB 1.311 30.247 28.738 0.330 0.000 1.470 398 Q HN 0.644 nan 8.270 nan 0.000 0.406 399 I N 2.611 123.252 120.570 0.119 0.000 2.548 399 I HA 0.488 4.659 4.170 0.001 0.000 0.287 399 I C -1.259 174.982 176.117 0.207 0.000 1.103 399 I CA -0.863 60.475 61.300 0.063 0.000 1.049 399 I CB 1.553 39.555 38.000 0.003 0.000 1.232 399 I HN 0.696 nan 8.210 nan 0.000 0.429 400 F N 3.002 123.031 119.950 0.132 0.000 2.561 400 F HA 0.786 5.313 4.527 0.001 0.000 0.321 400 F C -0.528 175.362 175.800 0.151 0.000 1.065 400 F CA -0.795 57.294 58.000 0.150 0.000 0.934 400 F CB 1.536 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 2.478 117.249 114.554 0.362 0.000 2.771 401 T HA 0.669 5.020 4.350 0.001 0.000 0.281 401 T C -0.353 174.504 174.700 0.262 0.000 0.982 401 T CA -0.412 61.812 62.100 0.206 0.000 0.978 401 T CB 1.148 70.086 68.868 0.116 0.000 0.930 401 T HN 0.901 nan 8.240 nan 0.000 0.447 402 A N 2.880 125.828 122.820 0.213 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 -0.080 0.000 1.265 402 A CA 0.068 52.153 52.037 0.080 0.000 0.858 402 A CB -0.927 18.234 19.000 0.269 0.000 1.118 402 A HN 1.459 nan 8.150 nan 0.000 0.482 403 A N 1.858 124.619 122.820 -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 1.567 53.596 52.037 -0.013 0.000 0.708 403 A CB -2.029 16.954 19.000 -0.029 0.000 1.371 403 A HN 1.558 nan 8.150 nan 0.000 0.378 407 Y N 0.122 120.095 120.300 -0.546 0.000 2.328 407 Y HA 0.367 4.917 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 1.458 39.346 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 0.020 174.848 174.990 -0.270 0.000 1.231 408 C CA -1.194 57.714 59.018 -0.182 0.000 1.652 408 C CB -1.256 26.484 27.740 0.001 0.000 2.284 408 C HN 0.634 nan 8.230 nan 0.000 0.499 409 L N 3.808 124.795 121.223 -0.394 0.000 2.295 409 L HA 0.503 4.843 4.340 0.001 0.000 0.285 409 L C -0.982 175.521 176.870 -0.611 0.000 1.035 409 L CA -0.376 54.249 54.840 -0.358 0.000 0.806 409 L CB 0.577 42.573 42.059 -0.105 0.000 1.214 409 L HN 0.597 nan 8.230 nan 0.000 0.426 410 Y N 0.879 121.031 120.300 -0.247 0.000 2.349 410 Y HA 0.303 4.853 4.550 0.001 0.000 0.324 410 Y C -0.850 174.862 175.900 -0.313 0.000 1.005 410 Y CA -0.720 57.275 58.100 -0.174 0.000 1.240 410 Y CB 1.044 39.427 38.460 -0.128 0.000 1.117 410 Y HN 0.464 nan 8.280 nan 0.000 0.463 411 W N 3.629 124.942 121.300 0.022 0.000 2.331 411 W HA 0.648 5.308 4.660 0.001 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 5.197 125.075 119.914 -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 -0.248 0.000 1.022 412 V CA -1.137 61.105 62.300 -0.098 0.000 0.850 412 V CB 0.679 32.442 31.823 -0.099 0.000 0.992 412 V HN 0.201 nan 8.190 nan 0.000 0.426 413 F N 4.502 124.314 119.950 -0.230 0.000 2.421 413 F HA 0.715 5.243 4.527 0.001 0.000 0.337 413 F C 0.368 176.248 175.800 0.134 0.000 1.105 413 F CA -0.471 57.402 58.000 -0.212 0.000 1.049 413 F CB 1.641 40.379 39.000 -0.436 0.000 1.139 413 F HN 0.272 nan 8.300 nan 0.000 0.479 414 M N 1.990 121.896 119.600 0.510 0.000 2.664 414 M HA 0.314 4.795 4.480 0.001 0.000 0.314 414 M C 0.559 177.265 176.300 0.676 0.000 1.200 414 M CA -0.623 55.010 55.300 0.556 0.000 0.916 414 M CB 2.124 34.898 32.600 0.289 0.000 1.717 414 M HN 0.580 nan 8.290 nan 0.000 0.470 415 Q N 0.828 120.905 119.800 0.461 0.000 2.515 415 Q HA -0.094 4.246 4.340 0.001 0.000 0.212 415 Q C 0.195 176.299 176.000 0.173 0.000 0.970 415 Q CA 0.585 56.542 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 0.601 nan 8.270 nan 0.000 0.518 416 D N -1.690 118.826 120.400 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 54.570 54.000 0.084 0.000 0.835 416 D CB 0.469 41.332 40.800 0.105 0.000 0.965 416 D HN 0.196 nan 8.370 nan 0.000 0.505 417 G N 0.039 108.953 108.800 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 0.261 0.000 0.641 417 G HN 0.810 nan 8.290 nan 0.000 0.527 418 A N -0.192 122.850 122.820 0.370 0.000 2.322 418 A HA 0.805 5.126 4.320 0.001 0.000 0.269 418 A C 0.178 177.890 177.584 0.212 0.000 1.094 418 A CA -0.077 52.127 52.037 0.278 0.000 0.807 418 A CB 0.555 19.630 19.000 0.126 0.000 1.047 418 A HN 0.795 nan 8.150 nan 0.000 0.487 419 I N 0.912 121.530 120.570 0.080 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 -0.404 60.751 61.300 -0.242 0.000 1.093 419 I CB 1.899 39.673 38.000 -0.377 0.000 1.267 419 I HN 0.809 nan 8.210 nan 0.000 0.431 420 R N 6.439 126.801 120.500 -0.230 0.000 2.750 420 R HA 0.644 4.985 4.340 0.001 0.000 0.281 420 R C -1.970 174.175 176.300 -0.258 0.000 0.972 420 R CA -0.701 55.283 56.100 -0.194 0.000 0.912 420 R CB 2.276 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 4.073 125.097 121.223 -0.331 0.000 2.319 421 L HA 0.465 4.806 4.340 0.001 0.000 0.281 421 L C -1.507 175.140 176.870 -0.372 0.000 1.005 421 L CA -0.631 53.900 54.840 -0.515 0.000 0.828 421 L CB 1.637 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 5.852 126.086 120.400 -0.276 0.000 2.248 422 D HA 0.584 5.225 4.640 0.001 0.000 0.246 422 D C -0.389 175.877 176.300 -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 43.579 40.800 -0.136 0.000 1.243 422 D HN 0.367 nan 8.370 nan 0.000 0.462 423 I N 1.266 121.800 120.570 -0.061 0.000 2.647 423 I HA 0.383 4.554 4.170 0.001 0.000 0.295 423 I C -0.164 175.950 176.117 -0.005 0.000 1.078 423 I CA -0.773 60.497 61.300 -0.050 0.000 1.048 423 I CB 2.238 40.094 38.000 -0.239 0.000 1.239 423 I HN -0.054 nan 8.210 nan 0.000 0.421 424 R N 6.049 126.576 120.500 0.046 0.000 2.476 424 R HA 0.611 4.952 4.340 0.001 0.000 0.305 424 R C -1.359 174.882 176.300 -0.100 0.000 0.965 424 R CA -0.829 55.264 56.100 -0.012 0.000 0.867 424 R CB 2.183 32.513 30.300 0.048 0.000 1.176 424 R HN 0.481 nan 8.270 nan 0.000 0.447 425 L N 2.110 123.231 121.223 -0.170 0.000 2.292 425 L HA 0.499 4.840 4.340 0.001 0.000 0.284 425 L C 0.606 177.313 176.870 -0.273 0.000 1.065 425 L CA -0.143 54.506 54.840 -0.318 0.000 0.806 425 L CB 1.575 43.402 42.059 -0.388 0.000 1.175 425 L HN 0.655 nan 8.230 nan 0.000 0.431 426 T N 0.902 115.264 114.554 -0.320 0.000 2.612 426 T HA 0.797 5.148 4.350 0.001 0.000 0.296 426 T C -0.146 174.391 174.700 -0.272 0.000 1.148 426 T CA 0.433 62.387 62.100 -0.243 0.000 1.077 426 T CB 1.494 70.244 68.868 -0.197 0.000 1.591 426 T HN 1.011 nan 8.240 nan 0.000 0.479 427 G N 0.309 108.959 108.800 -0.250 0.000 2.445 427 G HA2 -0.013 3.948 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 -1.172 173.576 174.900 -0.254 0.000 1.217 427 G CA -0.194 44.752 45.100 -0.256 0.000 1.002 427 G HN 0.926 nan 8.290 nan 0.000 0.574 428 I N 0.795 121.206 120.570 -0.265 0.000 2.608 428 I HA 0.459 4.630 4.170 0.001 0.000 0.295 428 I C 0.644 176.632 176.117 -0.215 0.000 1.049 428 I CA -0.920 60.215 61.300 -0.275 0.000 1.063 428 I CB 1.871 39.594 38.000 -0.461 0.000 1.248 428 I HN 0.518 nan 8.210 nan 0.000 0.424 429 L N 4.417 125.616 121.223 -0.040 0.000 2.485 429 L HA 0.046 4.386 4.340 0.001 0.000 0.275 429 L C 0.877 177.713 176.870 -0.057 0.000 1.207 429 L CA 0.248 55.093 54.840 0.008 0.000 0.855 429 L CB -0.021 42.108 42.059 0.116 0.000 1.114 429 L HN 0.673 nan 8.230 nan 0.000 0.485 430 N N 1.748 120.415 118.700 -0.055 0.000 2.420 430 N HA 0.082 4.822 4.740 0.001 0.000 0.262 430 N C -0.714 174.834 175.510 0.064 0.000 1.144 430 N CA -0.402 52.682 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 1.013 115.696 114.554 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 0.178 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 1.247 121.436 120.300 -0.184 0.000 2.602 432 Y HA 0.676 5.227 4.550 0.001 0.000 0.342 432 Y C -0.599 175.217 175.900 -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 39.741 38.460 -0.347 0.000 1.284 432 Y HN 0.964 nan 8.280 nan 0.000 0.485 433 I N 4.003 123.896 120.570 -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 -0.390 60.488 61.300 -0.703 0.000 1.397 433 I CB 0.603 38.207 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 0.081 176.902 176.870 -0.082 0.000 0.988 434 L CA -0.103 54.671 54.840 -0.110 0.000 0.824 434 L CB 1.459 43.467 42.059 -0.085 0.000 1.263 434 L HN 0.631 nan 8.230 nan 0.000 0.410 435 G N 2.600 111.379 108.800 -0.035 0.000 2.614 435 G HA2 0.058 4.018 3.960 0.001 0.000 0.239 435 G HA3 0.058 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 0.201 120.595 120.400 -0.009 0.000 2.133 436 D HA -0.110 4.531 4.640 0.001 0.000 0.195 436 D C 0.978 177.273 176.300 -0.009 0.000 0.997 436 D CA 1.363 55.362 54.000 -0.003 0.000 0.840 436 D CB 0.267 41.072 40.800 0.009 0.000 0.947 436 D HN 0.406 nan 8.370 nan 0.000 0.452 437 D N 0.369 120.766 120.400 -0.004 0.000 2.462 437 D HA 0.027 4.668 4.640 0.001 0.000 0.221 437 D C 0.269 176.569 176.300 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 41.364 40.800 -0.001 0.000 1.001 437 D HN 0.287 nan 8.370 nan 0.000 0.499 438 E N 1.667 121.869 120.200 0.004 0.000 2.338 438 E HA 0.065 4.416 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 -0.405 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 2.931 123.141 120.200 0.016 0.000 2.229 439 E HA 0.200 4.551 4.350 0.001 0.000 0.283 439 E C -0.157 176.455 176.600 0.019 0.000 1.030 439 E CA 0.034 56.434 56.400 -0.000 0.000 0.836 439 E CB 1.321 31.011 29.700 -0.017 0.000 1.068 439 E HN 0.532 nan 8.360 nan 0.000 0.401 440 A N 4.389 127.216 122.820 0.011 0.000 2.264 440 A HA 0.247 4.567 4.320 0.001 0.000 0.207 440 A C 1.339 178.938 177.584 0.025 0.000 1.196 440 A CA 0.796 52.861 52.037 0.048 0.000 0.778 440 A CB -1.498 17.520 19.000 0.031 0.000 0.779 440 A HN 1.030 nan 8.150 nan 0.000 0.483 441 G N 0.205 108.975 108.800 -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 -0.794 173.929 174.900 -0.294 0.000 1.317 441 G CA 0.279 45.261 45.100 -0.198 0.000 0.930 441 G HN 0.391 nan 8.290 nan 0.000 0.547 442 P HA 0.087 nan 4.420 nan 0.000 0.245 442 P C 1.115 178.219 177.300 -0.327 0.000 1.203 442 P CA 1.354 64.104 63.100 -0.584 0.000 0.792 442 P CB -0.062 31.111 31.700 -0.879 0.000 0.997 443 W N 0.677 122.015 121.300 0.064 0.000 3.139 443 W HA 0.366 5.027 4.660 0.001 0.000 0.260 443 W C 1.064 177.661 176.519 0.129 0.000 1.312 443 W CA -0.117 57.266 57.345 0.062 0.000 1.606 443 W CB 0.238 29.679 29.460 -0.031 0.000 1.118 443 W HN -0.010 nan 8.180 nan 0.000 0.675 444 G N -0.577 108.403 108.800 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 -1.462 173.521 174.900 0.139 0.000 1.360 444 G CA -0.639 44.623 45.100 0.270 0.000 0.783 444 G HN -0.288 nan 8.290 nan 0.000 0.484 445 T N -0.010 114.597 114.554 0.089 0.000 2.861 445 T HA 0.495 4.845 4.350 0.001 0.000 0.287 445 T C -0.108 174.580 174.700 -0.020 0.000 1.003 445 T CA -0.635 61.486 62.100 0.036 0.000 0.977 445 T CB 1.955 70.852 68.868 0.048 0.000 0.996 445 T HN 0.574 nan 8.240 nan 0.000 0.448 446 R N 2.686 123.166 120.500 -0.033 0.000 2.272 446 R HA 0.317 4.658 4.340 0.001 0.000 0.334 446 R C 0.933 177.186 176.300 -0.079 0.000 1.117 446 R CA -0.230 55.827 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 2.127 121.958 119.914 -0.139 0.000 3.647 447 V HA 0.301 4.422 4.120 0.001 0.000 0.279 447 V C -0.389 175.685 176.094 -0.032 0.000 1.314 447 V CA -0.078 62.151 62.300 -0.118 0.000 1.125 447 V CB -0.907 30.776 31.823 -0.234 0.000 0.907 447 V HN 0.696 nan 8.190 nan 0.000 0.434 448 Y N -0.876 119.268 120.300 -0.261 0.000 2.598 448 Y HA 0.523 5.074 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 -0.183 0.000 1.145 448 Y CB 1.485 39.852 38.460 -0.154 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 1.265 63.948 63.100 -0.696 0.000 0.760 449 P CB 0.294 31.226 31.700 -1.280 0.000 0.783 450 N N -0.432 118.117 118.700 -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 53.716 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 1.235 121.054 119.914 -0.158 0.000 2.409 451 V HA 0.326 4.446 4.120 0.001 0.000 0.291 451 V C 0.297 176.278 176.094 -0.188 0.000 1.020 451 V CA -0.799 61.393 62.300 -0.179 0.000 0.848 451 V CB 2.025 33.702 31.823 -0.243 0.000 0.990 451 V HN 0.195 nan 8.190 nan 0.000 0.430 452 N N 3.163 121.759 118.700 -0.173 0.000 2.476 452 N HA 0.639 5.379 4.740 0.001 0.000 0.257 452 N C -0.408 174.971 175.510 -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 -0.594 176.993 177.584 0.005 0.000 1.359 453 A CA -0.427 51.541 52.037 -0.116 0.000 0.956 453 A CB -0.101 18.847 19.000 -0.087 0.000 1.155 453 A HN 0.843 nan 8.150 nan 0.000 0.544 454 H N 2.089 121.178 119.070 0.031 0.000 2.771 454 H HA 0.072 4.629 4.556 0.001 0.000 0.364 454 H C 0.230 175.648 175.328 0.149 0.000 1.133 454 H CA -0.416 55.673 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 2.669 121.537 118.700 0.281 0.000 2.453 455 N HA 0.028 4.768 4.740 0.001 0.000 0.253 455 N C -0.198 175.364 175.510 0.088 0.000 1.252 455 N CA 0.331 53.440 53.050 0.098 0.000 0.917 455 N CB 0.508 39.079 38.487 0.141 0.000 1.117 455 N HN 0.700 nan 8.380 nan 0.000 0.442 456 H N -2.069 116.902 119.070 -0.164 0.000 3.024 456 H HA 0.308 4.865 4.556 0.001 0.000 0.324 456 H C -1.416 173.796 175.328 -0.193 0.000 1.347 456 H CA -0.767 55.189 56.048 -0.153 0.000 1.182 456 H CB 0.828 30.511 29.762 -0.132 0.000 1.889 456 H HN 0.416 nan 8.280 nan 0.000 0.528 457 Q N 0.680 120.373 119.800 -0.179 0.000 2.297 457 Q HA 0.388 4.729 4.340 0.001 0.000 0.268 457 Q C -0.756 175.134 176.000 -0.183 0.000 1.045 457 Q CA -1.011 54.692 55.803 -0.167 0.000 0.861 457 Q CB 2.378 31.050 28.738 -0.110 0.000 1.344 457 Q HN 0.516 nan 8.270 nan 0.000 0.452 458 H N 1.614 120.702 119.070 0.030 0.000 2.762 458 H HA 0.399 4.955 4.556 0.001 0.000 0.310 458 H C -0.980 174.240 175.328 -0.179 0.000 1.004 458 H CA -0.227 55.807 56.048 -0.023 0.000 1.267 458 H CB 0.696 30.563 29.762 0.176 0.000 1.437 458 H HN 0.360 nan 8.280 nan 0.000 0.498 459 L N 4.101 125.167 121.223 -0.261 0.000 2.346 459 L HA 0.449 4.790 4.340 0.001 0.000 0.276 459 L C -0.748 175.884 176.870 -0.397 0.000 1.006 459 L CA -0.762 53.966 54.840 -0.186 0.000 0.817 459 L CB 1.286 43.329 42.059 -0.028 0.000 1.272 459 L HN 0.297 nan 8.230 nan 0.000 0.421 460 F N 0.202 120.013 119.950 -0.232 0.000 2.538 460 F HA 0.449 4.976 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 57.002 58.000 -0.310 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 3.303 118.944 115.700 -0.098 0.000 2.577 461 S HA 0.394 4.864 4.470 0.001 0.000 0.294 461 S C -0.863 173.814 174.600 0.128 0.000 1.161 461 S CA -0.593 57.527 58.200 -0.133 0.000 1.143 461 S CB -0.036 62.629 63.200 -0.891 0.000 0.991 461 S HN 0.634 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 0.394 4.735 4.340 0.001 0.000 0.274 462 L C 0.358 177.270 176.870 0.069 0.000 1.135 462 L CA -0.110 54.882 54.840 0.253 0.000 0.870 462 L CB 0.408 42.632 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 -1.188 174.873 176.300 -0.399 0.000 0.969 463 R CA -0.535 55.248 56.100 -0.528 0.000 0.832 463 R CB 0.798 30.739 30.300 -0.598 0.000 1.139 463 R HN 0.637 nan 8.270 nan 0.000 0.457 464 I N 3.761 124.100 120.570 -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 -0.222 0.000 1.002 464 I CA -0.768 60.322 61.300 -0.350 0.000 1.135 464 I CB 1.851 39.609 38.000 -0.404 0.000 1.288 464 I HN 0.532 nan 8.210 nan 0.000 0.448 465 D N 9.744 130.047 120.400 -0.162 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 -2.090 51.904 54.000 -0.010 0.000 0.883 465 D CB 1.366 42.196 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 0.282 466 P C -0.495 176.886 177.300 0.135 0.000 1.259 466 P CA -0.617 62.625 63.100 0.237 0.000 0.826 466 P CB 1.368 33.194 31.700 0.211 0.000 1.064 467 R N 2.040 122.611 120.500 0.118 0.000 2.583 467 R HA 0.260 4.601 4.340 0.001 0.000 0.282 467 R C -0.157 176.165 176.300 0.036 0.000 1.288 467 R CA -0.353 55.780 56.100 0.054 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 2.579 123.180 120.570 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 0.999 62.366 61.300 0.112 0.000 1.375 468 I CB -0.328 37.781 38.000 0.181 0.000 1.421 468 I HN 0.620 nan 8.210 nan 0.000 0.544 469 D N 5.049 125.586 120.400 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 -1.003 107.822 108.800 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 -1.108 173.796 174.900 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 0.630 121.024 120.400 -0.009 0.000 2.283 471 D HA 0.537 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 1.282 55.269 54.000 -0.023 0.000 0.929 471 D CB 1.278 42.057 40.800 -0.036 0.000 1.182 471 D HN 2.047 nan 8.370 nan 0.000 0.433 472 G N 1.384 110.168 108.800 -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 -0.320 118.344 118.700 -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 52.615 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 -1.274 173.049 174.600 -0.461 0.000 1.148 474 S CA -0.696 57.187 58.200 -0.528 0.000 0.837 474 S CB 2.039 64.705 63.200 -0.890 0.000 1.138 474 S HN 0.714 nan 8.310 nan 0.000 0.478 475 A N 0.348 123.125 122.820 -0.073 0.000 2.454 475 A HA 1.004 5.325 4.320 0.001 0.000 0.302 475 A C -1.024 176.560 177.584 -0.001 0.000 1.079 475 A CA -0.558 51.613 52.037 0.223 0.000 0.731 475 A CB 1.561 20.890 19.000 0.549 0.000 1.299 475 A HN 1.426 nan 8.150 nan 0.000 0.413 476 A N -0.143 122.650 122.820 -0.045 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 0.980 19.951 19.000 -0.050 0.000 1.285 476 A HN 2.459 nan 8.150 nan 0.000 0.405 477 A N -0.104 122.542 122.820 -0.290 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 0.180 19.266 19.000 0.144 0.000 1.096 477 A HN 1.271 nan 8.150 nan 0.000 0.495 478 C N 2.466 121.634 119.300 -0.220 0.000 2.316 478 C HA 0.556 5.017 4.460 0.001 0.000 0.324 478 C C -0.878 174.005 174.990 -0.178 0.000 1.226 478 C CA -0.901 58.027 59.018 -0.150 0.000 1.450 478 C CB 0.089 27.770 27.740 -0.099 0.000 2.123 478 C HN 0.793 nan 8.230 nan 0.000 0.454 479 D N 2.255 122.564 120.400 -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 42.897 40.800 -0.151 0.000 1.247 479 D HN 0.650 nan 8.370 nan 0.000 0.489 480 A N 2.782 125.493 122.820 -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 -0.173 0.000 1.035 480 A HN 0.468 nan 8.150 nan 0.000 0.491 481 K N 1.395 121.600 120.400 -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 0.221 175.012 174.600 0.318 0.000 1.339 482 S CA -0.355 57.964 58.200 0.198 0.000 1.028 482 S CB 1.179 64.453 63.200 0.123 0.000 0.906 482 S HN 0.589 nan 8.310 nan 0.000 0.528 483 S N 2.742 118.651 115.700 0.349 0.000 2.558 483 S HA 0.095 4.565 4.470 0.001 0.000 0.288 483 S C -1.147 173.585 174.600 0.220 0.000 1.318 483 S CA -1.097 57.300 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 -0.213 177.015 177.300 -0.120 0.000 1.160 484 P CA 0.544 63.630 63.100 -0.023 0.000 0.777 484 P CB -0.101 31.527 31.700 -0.119 0.000 0.814 485 Y N 2.806 123.130 120.300 0.040 0.000 2.497 485 Y HA 0.148 4.699 4.550 0.001 0.000 0.334 485 Y C -1.248 174.670 175.900 0.031 0.000 1.199 485 Y CA -2.101 56.014 58.100 0.024 0.000 1.425 485 Y CB -0.466 38.002 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 -0.456 176.895 177.300 0.085 0.000 1.252 486 P CA -0.523 62.632 63.100 0.091 0.000 0.802 486 P CB 1.201 32.934 31.700 0.056 0.000 1.035 487 L N 0.965 122.221 121.223 0.056 0.000 2.525 487 L HA 0.093 4.434 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 1.891 56.750 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 2.574 111.344 108.800 -0.050 0.000 2.176 488 G HA2 -0.285 3.675 3.960 0.001 0.000 0.253 488 G HA3 -0.285 3.675 3.960 0.001 0.000 0.253 488 G C 0.271 175.139 174.900 -0.052 0.000 0.979 488 G CA 0.384 45.435 45.100 -0.081 0.000 0.641 488 G HN 0.953 nan 8.290 nan 0.000 0.530 489 S N 0.024 115.718 115.700 -0.010 0.000 2.617 489 S HA 0.649 5.119 4.470 0.001 0.000 0.269 489 S C -0.947 173.630 174.600 -0.038 0.000 1.292 489 S CA -0.676 57.531 58.200 0.011 0.000 1.010 489 S CB 2.300 65.561 63.200 0.103 0.000 0.944 489 S HN -0.035 nan 8.310 nan 0.000 0.536 490 P HA -0.054 nan 4.420 nan 0.000 0.218 490 P C 0.738 177.969 177.300 -0.115 0.000 1.148 490 P CA 1.116 64.169 63.100 -0.079 0.000 0.822 490 P CB 0.006 31.660 31.700 -0.076 0.000 0.784 491 E N -1.731 118.352 120.200 -0.195 0.000 2.285 491 E HA -0.043 4.308 4.350 0.001 0.000 0.194 491 E C 0.788 177.311 176.600 -0.129 0.000 0.997 491 E CA 0.719 56.936 56.400 -0.304 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 -0.438 118.247 118.700 -0.025 0.000 2.636 492 N HA 0.094 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 -0.042 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 0.267 119.858 119.600 -0.015 0.000 2.103 493 M HA -0.150 4.331 4.480 0.001 0.000 0.255 493 M C 0.183 176.296 176.300 -0.312 0.000 1.074 493 M CA 2.082 57.265 55.300 -0.195 0.000 1.090 493 M CB -0.351 32.071 32.600 -0.296 0.000 1.325 493 M HN 0.375 nan 8.290 nan 0.000 0.403 494 Y N -0.801 119.514 120.300 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 -0.473 38.002 38.460 0.025 0.000 1.123 494 Y HN 0.421 nan 8.280 nan 0.000 0.524 495 G N 1.747 110.641 108.800 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 0.876 175.871 174.900 0.158 0.000 1.021 495 G CA 0.837 46.020 45.100 0.138 0.000 0.798 495 G HN 0.598 nan 8.290 nan 0.000 0.507 496 N N -0.356 118.450 118.700 0.177 0.000 2.236 496 N HA 0.388 5.129 4.740 0.001 0.000 0.196 496 N C 0.974 176.618 175.510 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 38.726 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 0.184 0.000 2.488 497 A HA 0.453 4.773 4.320 0.001 0.000 0.249 497 A C -0.493 177.272 177.584 0.302 0.000 1.083 497 A CA -0.251 51.881 52.037 0.157 0.000 0.768 497 A CB -0.494 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 0.979 121.018 119.950 0.148 0.000 2.654 498 F HA 0.736 5.263 4.527 0.001 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 0.799 39.838 39.000 0.065 0.000 1.309 498 F HN 0.752 nan 8.300 nan 0.000 0.446 499 Y N -0.109 120.364 120.300 0.288 0.000 2.805 499 Y HA 0.819 5.370 4.550 0.001 0.000 0.323 499 Y C -1.324 174.692 175.900 0.193 0.000 1.279 499 Y CA -1.753 56.434 58.100 0.146 0.000 1.103 499 Y CB 0.958 39.453 38.460 0.058 0.000 1.324 499 Y HN 0.814 nan 8.280 nan 0.000 0.498 500 S N 0.500 116.225 115.700 0.043 0.000 2.456 500 S HA 0.325 4.795 4.470 0.001 0.000 0.316 500 S C -1.105 173.471 174.600 -0.040 0.000 1.089 500 S CA -0.580 57.572 58.200 -0.080 0.000 1.101 500 S CB 0.403 63.618 63.200 0.025 0.000 0.995 500 S HN 0.731 nan 8.310 nan 0.000 0.468 501 E N 3.847 123.936 120.200 -0.185 0.000 2.167 501 E HA 0.257 4.607 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 0.568 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 3.576 123.991 120.400 0.024 0.000 2.263 502 K HA 0.230 4.551 4.320 0.001 0.000 0.272 502 K C -1.227 175.371 176.600 -0.004 0.000 1.033 502 K CA -0.393 55.876 56.287 -0.030 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 -0.284 174.392 174.700 -0.040 0.000 1.075 503 T CA -0.472 61.653 62.100 0.042 0.000 0.966 503 T CB 0.880 69.824 68.868 0.127 0.000 1.001 503 T HN 0.660 nan 8.240 nan 0.000 0.476 504 T N 2.700 117.266 114.554 0.021 0.000 2.817 504 T HA 0.485 4.836 4.350 0.001 0.000 0.293 504 T C -0.102 174.684 174.700 0.143 0.000 0.964 504 T CA -0.688 61.426 62.100 0.024 0.000 1.085 504 T CB -0.131 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 3.985 124.061 119.950 0.209 0.000 2.506 505 F HA 0.385 4.912 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 -0.992 57.096 58.000 0.146 0.000 1.195 505 F CB 0.525 39.610 39.000 0.142 0.000 1.099 505 F HN 0.702 nan 8.300 nan 0.000 0.548 506 K N 0.386 120.951 120.400 0.276 0.000 2.244 506 K HA 0.095 4.415 4.320 0.001 0.000 0.200 506 K C 0.685 177.364 176.600 0.131 0.000 1.052 506 K CA 0.680 57.069 56.287 0.170 0.000 0.980 506 K CB 0.345 32.925 32.500 0.132 0.000 0.838 506 K HN 0.564 nan 8.250 nan 0.000 0.481 507 T N -0.619 114.007 114.554 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 -0.704 61.437 62.100 0.068 0.000 1.009 507 T CB 1.940 70.838 68.868 0.050 0.000 1.118 507 T HN -0.275 nan 8.240 nan 0.000 0.497 508 V N 2.857 122.778 119.914 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 -0.517 31.299 31.823 -0.011 0.000 0.645 508 V HN 0.830 nan 8.190 nan 0.000 0.447 509 K N -0.171 120.182 120.400 -0.079 0.000 2.113 509 K HA -0.269 4.052 4.320 0.001 0.000 0.208 509 K C 1.790 178.294 176.600 -0.160 0.000 1.047 509 K CA 2.057 58.280 56.287 -0.107 0.000 0.928 509 K CB -0.280 32.189 32.500 -0.051 0.000 0.716 509 K HN 0.530 nan 8.250 nan 0.000 0.446 510 D N -0.093 120.229 120.400 -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 -0.617 0.000 0.976 510 D CA 1.475 55.385 54.000 -0.150 0.000 0.853 510 D CB -0.092 40.761 40.800 0.089 0.000 0.939 510 D HN 0.359 nan 8.370 nan 0.000 0.481 511 S N 0.265 115.441 115.700 -0.873 0.000 2.461 511 S HA -0.044 4.427 4.470 0.001 0.000 0.228 511 S C 1.331 175.458 174.600 -0.787 0.000 1.005 511 S CA -0.076 57.212 58.200 -1.520 0.000 0.942 511 S CB -0.567 62.147 63.200 -0.812 0.000 0.776 511 S HN 0.180 nan 8.310 nan 0.000 0.514 512 L N 3.827 124.725 121.223 -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 -0.305 0.000 1.212 512 L CA -0.185 54.292 54.840 -0.605 0.000 1.082 512 L CB -1.174 40.332 42.059 -0.921 0.000 1.362 512 L HN 0.408 nan 8.230 nan 0.000 0.451 513 T N -1.381 113.167 114.554 -0.011 0.000 2.916 513 T HA 0.551 4.902 4.350 0.001 0.000 0.292 513 T C -0.283 174.697 174.700 0.466 0.000 1.064 513 T CA -1.089 61.189 62.100 0.297 0.000 1.011 513 T CB 2.481 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 -0.157 118.833 118.700 0.485 0.000 2.362 514 N HA 0.370 5.110 4.740 0.001 0.000 0.299 514 N C -1.349 174.535 175.510 0.623 0.000 1.170 514 N CA -0.642 52.707 53.050 0.498 0.000 0.825 514 N CB 1.394 40.061 38.487 0.299 0.000 1.299 514 N HN 0.766 nan 8.380 nan 0.000 0.502 515 Y N 0.950 121.602 120.300 0.585 0.000 2.480 515 Y HA 0.084 4.635 4.550 0.001 0.000 0.338 515 Y C -0.266 175.768 175.900 0.224 0.000 1.220 515 Y CA 0.472 58.858 58.100 0.475 0.000 1.430 515 Y CB 0.572 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 3.312 123.002 120.200 -0.850 0.000 2.265 516 E HA 0.134 4.485 4.350 0.001 0.000 0.262 516 E C 0.289 176.367 176.600 -0.871 0.000 0.889 516 E CA -0.008 56.029 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 1.488 116.848 115.700 -0.566 0.000 2.423 517 S HA -0.133 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 0.882 58.913 58.200 -0.281 0.000 0.965 517 S CB -0.055 63.136 63.200 -0.016 0.000 0.785 517 S HN 0.475 nan 8.310 nan 0.000 0.495 518 A N 1.896 124.615 122.820 -0.168 0.000 2.070 518 A HA -0.013 4.308 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 53.754 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 -5.513 108.932 114.554 -0.183 0.000 3.091 519 T HA 0.434 4.785 4.350 0.001 0.000 0.277 519 T C 1.093 175.689 174.700 -0.173 0.000 0.996 519 T CA 0.893 62.887 62.100 -0.175 0.000 0.897 519 T CB -0.036 68.727 68.868 -0.176 0.000 1.109 519 T HN 1.605 nan 8.240 nan 0.000 0.534 520 G N 2.843 111.545 108.800 -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 0.399 45.475 45.100 -0.039 0.000 0.921 520 G HN 0.955 nan 8.290 nan 0.000 0.511 521 R N -0.001 120.382 120.500 -0.195 0.000 2.638 521 R HA 0.332 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 0.986 56.916 56.100 -0.283 0.000 1.088 521 R CB 0.216 30.227 30.300 -0.482 0.000 0.950 521 R HN 0.705 nan 8.270 nan 0.000 0.419 522 S N 3.591 119.051 115.700 -0.400 0.000 2.661 522 S HA 0.603 5.073 4.470 0.001 0.000 0.285 522 S C -1.248 173.154 174.600 -0.331 0.000 1.138 522 S CA -1.055 57.008 58.200 -0.228 0.000 0.855 522 S CB 1.401 64.598 63.200 -0.005 0.000 1.136 522 S HN 0.634 nan 8.310 nan 0.000 0.484 523 W N 0.558 121.958 121.300 0.167 0.000 2.819 523 W HA 0.452 5.112 4.660 0.001 0.000 0.337 523 W C -1.353 175.253 176.519 0.146 0.000 1.077 523 W CA -0.442 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 2.018 122.644 120.400 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 -0.372 53.820 54.000 0.320 0.000 0.853 524 D CB 2.214 43.149 40.800 0.225 0.000 1.243 524 D HN 0.091 nan 8.370 nan 0.000 0.462 525 I N 3.234 124.007 120.570 0.337 0.000 2.382 525 I HA 0.353 4.524 4.170 0.001 0.000 0.285 525 I C -0.665 175.666 176.117 0.357 0.000 1.007 525 I CA -0.862 60.598 61.300 0.267 0.000 1.142 525 I CB 0.291 38.358 38.000 0.111 0.000 1.289 525 I HN 0.218 nan 8.210 nan 0.000 0.453 526 F N 3.486 123.517 119.950 0.135 0.000 2.664 526 F HA 0.541 5.068 4.527 0.001 0.000 0.329 526 F C -0.661 175.198 175.800 0.098 0.000 1.090 526 F CA -1.527 56.546 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 2.009 120.856 118.700 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 -2.173 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 0.896 64.127 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 -0.130 118.607 118.700 0.062 0.000 2.398 529 N HA 0.058 4.798 4.740 0.001 0.000 0.188 529 N C 0.590 176.110 175.510 0.018 0.000 1.122 529 N CA 0.534 53.602 53.050 0.031 0.000 0.866 529 N CB 0.474 38.968 38.487 0.013 0.000 0.970 529 N HN 0.374 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 0.653 4.974 4.320 0.001 0.000 0.252 530 K C -1.005 175.591 176.600 -0.006 0.000 1.015 530 K CA -0.760 55.521 56.287 -0.009 0.000 0.860 530 K CB 2.952 35.427 32.500 -0.042 0.000 1.359 530 K HN -0.322 nan 8.250 nan 0.000 0.452 531 V N 0.937 120.831 119.914 -0.034 0.000 2.808 531 V HA 0.203 4.323 4.120 0.001 0.000 0.308 531 V C -0.706 175.358 176.094 -0.051 0.000 1.099 531 V CA -1.188 61.092 62.300 -0.032 0.000 0.920 531 V CB 1.832 33.641 31.823 -0.023 0.000 1.014 531 V HN 0.765 nan 8.190 nan 0.000 0.425 532 N N 6.101 124.781 118.700 -0.034 0.000 2.452 532 N HA 0.136 4.877 4.740 0.001 0.000 0.266 532 N C -1.358 174.134 175.510 -0.030 0.000 1.209 532 N CA -1.187 51.843 53.050 -0.034 0.000 0.929 532 N CB 1.998 40.523 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 64.269 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 0.849 121.158 120.300 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 59.046 58.100 0.018 0.000 1.153 534 Y CB -1.245 37.226 38.460 0.019 0.000 1.114 534 Y HN 0.043 nan 8.280 nan 0.000 0.521 535 S N -1.045 114.802 115.700 0.245 0.000 2.470 535 S HA 0.191 4.662 4.470 0.001 0.000 0.225 535 S C 1.885 176.528 174.600 0.072 0.000 1.006 535 S CA 0.691 58.998 58.200 0.178 0.000 0.934 535 S CB -0.363 63.040 63.200 0.337 0.000 0.778 535 S HN 0.636 nan 8.310 nan 0.000 0.517 536 G N 1.083 109.915 108.800 0.053 0.000 2.162 536 G HA2 -0.216 3.744 3.960 0.001 0.000 0.260 536 G HA3 -0.216 3.744 3.960 0.001 0.000 0.260 536 G C -0.028 174.835 174.900 -0.061 0.000 0.976 536 G CA 0.419 45.518 45.100 -0.002 0.000 0.655 536 G HN 0.518 nan 8.290 nan 0.000 0.533 537 K N 0.670 121.002 120.400 -0.114 0.000 2.123 537 K HA 0.567 4.888 4.320 0.001 0.000 0.248 537 K C -2.324 174.190 176.600 -0.143 0.000 0.969 537 K CA -2.215 53.921 56.287 -0.252 0.000 0.882 537 K CB 1.689 33.770 32.500 -0.699 0.000 1.080 537 K HN 0.134 nan 8.250 nan 0.000 0.441 538 P HA 0.184 nan 4.420 nan 0.000 0.274 538 P C -2.526 174.810 177.300 0.059 0.000 1.231 538 P CA -1.487 61.616 63.100 0.005 0.000 0.790 538 P CB -0.074 31.698 31.700 0.119 0.000 0.951 539 P HA 0.054 nan 4.420 nan 0.000 0.271 539 P C -0.283 177.191 177.300 0.290 0.000 1.216 539 P CA 0.397 63.564 63.100 0.111 0.000 0.776 539 P CB 0.579 32.203 31.700 -0.128 0.000 0.881 540 S N 1.748 117.664 115.700 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 -0.668 57.747 58.200 0.359 0.000 0.817 540 S CB 1.093 64.467 63.200 0.289 0.000 1.131 540 S HN 0.288 nan 8.310 nan 0.000 0.467 541 Y N 0.912 121.279 120.300 0.112 0.000 2.350 541 Y HA 0.587 5.137 4.550 0.001 0.000 0.338 541 Y C 0.033 175.982 175.900 0.082 0.000 0.961 541 Y CA -0.504 57.617 58.100 0.035 0.000 1.100 541 Y CB 1.954 40.410 38.460 -0.007 0.000 1.179 541 Y HN 0.857 nan 8.280 nan 0.000 0.454 542 K N 4.315 124.764 120.400 0.082 0.000 2.183 542 K HA 0.463 4.784 4.320 0.001 0.000 0.274 542 K C -1.372 175.282 176.600 0.090 0.000 1.009 542 K CA -0.890 55.459 56.287 0.102 0.000 0.888 542 K CB 0.889 33.428 32.500 0.064 0.000 1.078 542 K HN 0.628 nan 8.250 nan 0.000 0.459 543 L N 5.801 127.089 121.223 0.109 0.000 2.283 543 L HA 0.240 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 -0.029 54.845 54.840 0.056 0.000 0.822 543 L CB 1.143 43.197 42.059 -0.007 0.000 1.186 543 L HN 0.371 nan 8.230 nan 0.000 0.436 544 V N 4.974 124.919 119.914 0.052 0.000 2.257 544 V HA 0.460 4.581 4.120 0.001 0.000 0.269 544 V C 0.084 176.184 176.094 0.009 0.000 1.040 544 V CA -0.212 62.120 62.300 0.053 0.000 0.813 544 V CB 0.615 32.450 31.823 0.020 0.000 1.065 544 V HN 0.845 nan 8.190 nan 0.000 0.457 545 S N 2.672 118.406 115.700 0.057 0.000 2.594 545 S HA 0.521 4.992 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 2.108 65.388 63.200 0.134 0.000 1.016 545 S HN 0.640 nan 8.310 nan 0.000 0.485 546 T N 3.174 117.612 114.554 -0.193 0.000 2.955 546 T HA 0.224 4.575 4.350 0.001 0.000 0.251 546 T C 0.187 174.764 174.700 -0.205 0.000 1.002 546 T CA 0.296 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 1.267 121.072 119.800 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 -0.282 28.547 28.738 0.151 0.000 1.513 547 Q HN 0.329 nan 8.270 nan 0.000 0.577 548 C N 2.939 122.357 119.300 0.197 0.000 2.621 548 C HA 0.363 4.824 4.460 0.001 0.000 0.272 548 C C -2.082 173.052 174.990 0.239 0.000 1.119 548 C CA -1.964 57.212 59.018 0.263 0.000 1.593 548 C CB -0.667 27.304 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 -2.182 175.178 177.300 0.100 0.000 1.216 549 P CA -0.582 62.595 63.100 0.129 0.000 0.776 549 P CB 0.155 31.906 31.700 0.086 0.000 0.881 550 P HA 0.126 nan 4.420 nan 0.000 0.277 550 P C -0.721 176.572 177.300 -0.012 0.000 1.240 550 P CA -0.471 62.654 63.100 0.041 0.000 0.798 550 P CB 0.642 32.370 31.700 0.045 0.000 0.979 551 L N 3.149 124.330 121.223 -0.070 0.000 2.456 551 L HA 0.039 4.380 4.340 0.001 0.000 0.277 551 L C 1.196 178.010 176.870 -0.093 0.000 1.124 551 L CA 0.388 55.157 54.840 -0.117 0.000 0.880 551 L CB -0.674 41.269 42.059 -0.193 0.000 1.192 551 L HN 0.331 nan 8.230 nan 0.000 0.463 552 L N 4.759 125.938 121.223 -0.073 0.000 2.156 552 L HA 0.071 4.411 4.340 0.001 0.000 0.208 552 L C 1.487 178.311 176.870 -0.077 0.000 1.095 552 L CA 0.552 55.364 54.840 -0.047 0.000 0.770 552 L CB -0.546 41.506 42.059 -0.012 0.000 0.914 552 L HN 0.838 nan 8.230 nan 0.000 0.439 553 A N 0.917 123.666 122.820 -0.118 0.000 2.531 553 A HA 0.098 4.419 4.320 0.001 0.000 0.236 553 A C 0.282 177.781 177.584 -0.141 0.000 1.062 553 A CA 0.053 52.003 52.037 -0.145 0.000 0.760 553 A CB 0.002 18.887 19.000 -0.192 0.000 0.995 553 A HN 0.191 nan 8.150 nan 0.000 0.501 554 K N 1.298 121.620 120.400 -0.130 0.000 2.180 554 K HA 0.153 4.474 4.320 0.001 0.000 0.251 554 K C 0.203 176.721 176.600 -0.136 0.000 1.014 554 K CA -0.282 55.936 56.287 -0.116 0.000 0.913 554 K CB 0.487 32.930 32.500 -0.095 0.000 1.008 554 K HN 0.762 nan 8.250 nan 0.000 0.490 555 E N 0.148 120.276 120.200 -0.119 0.000 2.452 555 E HA -0.062 4.289 4.350 0.001 0.000 0.261 555 E C 0.744 177.268 176.600 -0.127 0.000 0.987 555 E CA 1.037 57.362 56.400 -0.125 0.000 0.926 555 E CB 0.540 30.181 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 -0.325 3.635 3.960 0.001 0.000 0.253 556 G HA3 -0.325 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 45.500 45.100 -0.149 0.000 0.641 556 G HN 0.668 nan 8.290 nan 0.000 0.530 557 S N -0.211 115.376 115.700 -0.187 0.000 2.614 557 S HA 0.639 5.110 4.470 0.001 0.000 0.265 557 S C 1.652 176.090 174.600 -0.270 0.000 1.303 557 S CA -0.078 57.997 58.200 -0.208 0.000 1.000 557 S CB 1.508 64.582 63.200 -0.210 0.000 0.935 557 S HN 0.390 nan 8.310 nan 0.000 0.551 558 L N 1.354 122.404 121.223 -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 -0.342 0.000 0.890 558 L HN 0.672 nan 8.230 nan 0.000 0.432 559 V N -0.084 119.524 119.914 -0.510 0.000 2.255 559 V HA -0.346 3.775 4.120 0.001 0.000 0.247 559 V C 2.697 178.566 176.094 -0.376 0.000 1.051 559 V CA 1.997 64.016 62.300 -0.469 0.000 1.018 559 V CB -0.949 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 -0.487 122.131 122.820 -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 -0.328 0.000 1.175 560 A CA 1.754 53.600 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 -0.586 119.603 120.400 -0.352 0.000 2.103 561 K HA -0.049 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 1.155 57.197 56.287 -0.408 0.000 0.945 561 K CB -0.151 32.072 32.500 -0.461 0.000 0.722 561 K HN 0.394 nan 8.250 nan 0.000 0.443 562 R N 0.326 120.529 120.500 -0.496 0.000 2.236 562 R HA 0.061 4.402 4.340 0.001 0.000 0.208 562 R C 0.709 176.956 176.300 -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 30.435 30.300 -0.224 0.000 0.896 562 R HN 0.010 nan 8.270 nan 0.000 0.464 563 A N 1.570 124.229 122.820 -0.268 0.000 3.218 563 A HA 0.279 4.600 4.320 0.001 0.000 0.321 563 A C -1.931 175.224 177.584 -0.714 0.000 1.012 563 A CA -1.234 50.488 52.037 -0.525 0.000 0.948 563 A CB 0.449 18.973 19.000 -0.793 0.000 1.050 563 A HN -0.062 nan 8.150 nan 0.000 0.492 564 P HA -0.194 nan 4.420 nan 0.000 0.218 564 P C 1.310 178.492 177.300 -0.197 0.000 1.146 564 P CA 1.253 64.221 63.100 -0.221 0.000 0.813 564 P CB -0.217 31.435 31.700 -0.079 0.000 0.778 565 W N -0.147 121.099 121.300 -0.090 0.000 2.584 565 W HA 0.292 4.952 4.660 0.001 0.000 0.264 565 W C 1.598 178.107 176.519 -0.015 0.000 1.264 565 W CA 0.541 57.848 57.345 -0.063 0.000 1.306 565 W CB -1.646 27.760 29.460 -0.090 0.000 1.110 565 W HN -0.086 nan 8.180 nan 0.000 0.606 566 A N 1.321 123.627 122.820 -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 1.537 53.163 52.037 -0.686 0.000 0.716 566 A CB -0.748 17.562 19.000 -1.151 0.000 0.794 566 A HN 0.229 nan 8.150 nan 0.000 0.465 567 S N -0.617 114.904 115.700 -0.297 0.000 2.423 567 S HA -0.027 4.443 4.470 0.001 0.000 0.231 567 S C 0.380 174.706 174.600 -0.455 0.000 1.014 567 S CA 0.824 58.816 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 -1.010 118.055 119.070 -0.009 0.000 2.679 568 H HA 0.445 5.002 4.556 0.001 0.000 0.367 568 H C 0.753 176.131 175.328 0.084 0.000 1.162 568 H CA -0.471 55.604 56.048 0.044 0.000 1.181 568 H CB 1.442 31.216 29.762 0.020 0.000 1.693 568 H HN -0.114 nan 8.280 nan 0.000 0.538 569 S N 0.484 116.335 115.700 0.253 0.000 2.406 569 S HA 0.022 4.493 4.470 0.001 0.000 0.228 569 S C 0.435 175.099 174.600 0.106 0.000 1.020 569 S CA 0.568 58.892 58.200 0.207 0.000 0.965 569 S CB 0.332 63.758 63.200 0.377 0.000 0.798 569 S HN 0.243 nan 8.310 nan 0.000 0.488 570 V N 2.519 122.431 119.914 -0.003 0.000 2.709 570 V HA 0.450 4.571 4.120 0.001 0.000 0.308 570 V C -1.016 174.953 176.094 -0.209 0.000 1.062 570 V CA -0.948 61.189 62.300 -0.272 0.000 0.901 570 V CB 2.052 33.451 31.823 -0.707 0.000 1.003 570 V HN 0.254 nan 8.190 nan 0.000 0.425 571 N N 2.826 121.381 118.700 -0.241 0.000 2.480 571 N HA 0.524 5.265 4.740 0.001 0.000 0.289 571 N C -1.546 173.881 175.510 -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 2.231 122.058 119.914 -0.145 0.000 2.444 572 V HA 0.487 4.608 4.120 0.001 0.000 0.294 572 V C 0.272 176.404 176.094 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 3.472 123.468 119.914 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 34.030 31.823 0.138 0.000 1.075 573 V HN 0.607 nan 8.190 nan 0.000 0.442 574 P HA 0.200 nan 4.420 nan 0.000 0.271 574 P C -1.237 176.048 177.300 -0.025 0.000 1.218 574 P CA 0.165 63.283 63.100 0.030 0.000 0.780 574 P CB 0.078 31.787 31.700 0.015 0.000 0.901 575 Y N 3.066 123.325 120.300 -0.068 0.000 2.397 575 Y HA 0.360 4.911 4.550 0.001 0.000 0.335 575 Y C 0.109 175.929 175.900 -0.132 0.000 1.213 575 Y CA 0.593 58.626 58.100 -0.112 0.000 1.391 575 Y CB 0.631 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 3.730 123.405 120.400 -1.208 0.000 2.542 576 K HA 0.235 4.556 4.320 0.001 0.000 0.259 576 K C -1.768 174.183 176.600 -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 33.472 32.500 -0.483 0.000 1.345 576 K HN 0.626 nan 8.250 nan 0.000 0.432 577 D N 2.150 122.267 120.400 -0.472 0.000 2.443 577 D HA -0.013 4.627 4.640 0.001 0.000 0.239 577 D C 0.205 176.322 176.300 -0.305 0.000 1.136 577 D CA 0.931 54.777 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 1.408 119.945 118.700 -0.271 0.000 2.776 578 N HA -0.209 4.532 4.740 0.001 0.000 0.249 578 N C -0.691 174.609 175.510 -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 0.278 4.619 4.340 0.001 0.000 0.268 579 R C 1.146 177.139 176.300 -0.512 0.000 1.295 579 R CA -0.237 55.436 56.100 -0.712 0.000 1.379 579 R CB 0.460 29.993 30.300 -1.278 0.000 1.170 579 R HN 0.267 nan 8.270 nan 0.000 0.584 580 L N 0.797 121.794 121.223 -0.378 0.000 2.435 580 L HA 0.213 4.553 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 0.346 54.881 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 1.737 122.171 120.300 0.223 0.000 2.518 581 Y HA 0.249 4.799 4.550 0.001 0.000 0.344 581 Y C -1.496 174.419 175.900 0.024 0.000 0.982 581 Y CA -3.568 54.587 58.100 0.092 0.000 1.234 581 Y CB -0.343 38.083 38.460 -0.057 0.000 1.114 581 Y HN -0.022 nan 8.280 nan 0.000 0.515 582 P HA -0.145 nan 4.420 nan 0.000 0.220 582 P C 0.566 177.751 177.300 -0.190 0.000 1.144 582 P CA 1.270 64.129 63.100 -0.402 0.000 0.800 582 P CB 0.481 31.887 31.700 -0.489 0.000 0.772 583 S N -0.942 114.765 115.700 0.012 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 -0.065 63.350 63.200 0.358 0.000 0.822 583 S HN 0.543 nan 8.310 nan 0.000 0.472 584 G N 1.408 110.063 108.800 -0.240 0.000 2.662 584 G HA2 -0.139 3.821 3.960 0.001 0.000 0.686 584 G HA3 -0.139 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 -0.466 44.440 45.100 -0.324 0.000 0.816 584 G HN 0.194 nan 8.290 nan 0.000 0.608 585 D N -0.081 120.193 120.400 -0.210 0.000 2.183 585 D HA 0.023 4.663 4.640 0.001 0.000 0.203 585 D C 0.753 176.726 176.300 -0.546 0.000 0.969 585 D CA 1.372 55.192 54.000 -0.300 0.000 0.842 585 D CB 0.012 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 0.401 119.442 119.070 -0.048 0.000 2.786 586 H HA 0.240 4.796 4.556 0.001 0.000 0.284 586 H C 1.058 176.369 175.328 -0.029 0.000 1.104 586 H CA -0.321 55.713 56.048 -0.023 0.000 1.339 586 H CB 1.457 31.215 29.762 -0.007 0.000 1.427 586 H HN -0.210 nan 8.280 nan 0.000 0.497 587 V N 3.766 123.716 119.914 0.059 0.000 2.346 587 V HA -0.047 4.074 4.120 0.001 0.000 0.244 587 V C -1.544 174.650 176.094 0.167 0.000 1.037 587 V CA 0.685 63.050 62.300 0.109 0.000 1.029 587 V CB -1.068 30.780 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 0.845 64.006 63.100 0.102 0.000 0.760 588 P CB 0.012 31.742 31.700 0.050 0.000 0.783 589 Q N -1.853 118.085 119.800 0.230 0.000 2.348 589 Q HA -0.239 4.101 4.340 0.001 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 -1.735 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 1.699 123.068 121.300 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 -0.081 57.264 57.345 0.001 0.000 1.207 590 W CB 0.581 30.029 29.460 -0.020 0.000 1.199 590 W HN 0.104 nan 8.180 nan 0.000 0.544 591 S N 3.517 118.760 115.700 -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 0.868 58.210 58.200 -1.430 0.000 0.942 591 S CB -0.377 62.272 63.200 -0.919 0.000 0.768 591 S HN 1.718 nan 8.310 nan 0.000 0.520 592 G N 0.563 108.023 108.800 -2.234 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 -0.413 173.876 174.900 -1.019 0.000 0.987 592 G CA 0.089 43.939 45.100 -2.084 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 -0.598 0.000 2.256 593 D HA 0.555 5.196 4.640 0.001 0.000 0.250 593 D C 0.745 177.188 176.300 0.238 0.000 1.093 593 D CA 1.472 55.398 54.000 -0.124 0.000 0.882 593 D CB 1.349 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 0.052 108.964 108.800 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 -0.963 174.030 174.900 0.155 0.000 1.294 594 G CA -0.997 44.221 45.100 0.195 0.000 0.879 594 G HN 0.348 nan 8.290 nan 0.000 0.646 595 V N 2.433 122.375 119.914 0.047 0.000 2.322 595 V HA 0.661 4.782 4.120 0.001 0.000 0.258 595 V C 0.804 176.842 176.094 -0.094 0.000 1.074 595 V CA 0.671 62.963 62.300 -0.013 0.000 0.909 595 V CB -0.217 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 2.882 123.275 120.500 -0.178 0.000 2.766 596 R HA 0.818 5.159 4.340 0.001 0.000 0.270 596 R C 0.452 176.448 176.300 -0.507 0.000 1.035 596 R CA -0.186 55.710 56.100 -0.340 0.000 0.911 596 R CB 0.985 30.992 30.300 -0.489 0.000 1.243 596 R HN 0.819 nan 8.270 nan 0.000 0.460 597 G N 1.024 109.422 108.800 -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 0.566 174.378 174.900 -1.814 0.000 1.277 597 G CA 0.922 45.355 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 4.449 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 2.834 57.584 55.300 -0.916 0.000 1.095 598 M CB -0.421 31.953 32.600 -0.378 0.000 1.365 598 M HN 0.619 nan 8.290 nan 0.000 0.406 599 R N -0.407 119.886 120.500 -0.345 0.000 2.096 599 R HA -0.196 4.144 4.340 0.001 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 -0.516 119.514 120.200 -0.282 0.000 2.072 600 E HA -0.169 4.182 4.350 0.001 0.000 0.190 600 E C 1.430 178.047 176.600 0.028 0.000 0.982 600 E CA 1.011 57.327 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 4.596 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 0.261 57.555 57.345 -0.086 0.000 1.260 601 W CB -0.922 28.464 29.460 -0.123 0.000 1.131 601 W HN 0.153 nan 8.180 nan 0.000 0.530 602 I N 0.061 120.704 120.570 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 1.365 62.694 61.300 0.048 0.000 1.404 602 I CB -1.120 36.876 38.000 -0.007 0.000 1.071 602 I HN 0.084 nan 8.210 nan 0.000 0.419 603 G N 2.386 111.201 108.800 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 0.544 nan 8.290 nan 0.000 0.551 604 D N 1.203 121.608 120.400 0.008 0.000 2.325 604 D HA 0.389 5.029 4.640 0.001 0.000 0.225 604 D C 1.762 178.062 176.300 0.000 0.000 1.096 604 D CA 1.026 55.028 54.000 0.003 0.000 0.844 604 D CB -0.475 40.328 40.800 0.006 0.000 0.925 604 D HN 2.138 nan 8.370 nan 0.000 0.513 605 G N 0.482 109.281 108.800 -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 0.000 0.000 0.986 605 G CA 0.950 46.044 45.100 -0.009 0.000 0.683 605 G HN 0.719 nan 8.290 nan 0.000 0.527 606 S N -0.895 114.811 115.700 0.011 0.000 2.524 606 S HA 0.306 4.777 4.470 0.001 0.000 0.216 606 S C 0.673 175.288 174.600 0.025 0.000 0.987 606 S CA 0.636 58.847 58.200 0.018 0.000 0.909 606 S CB 0.408 63.618 63.200 0.017 0.000 0.781 606 S HN 0.621 nan 8.310 nan 0.000 0.521 607 E N 2.345 122.561 120.200 0.027 0.000 2.415 607 E HA 0.151 4.502 4.350 0.001 0.000 0.262 607 E C -0.246 176.378 176.600 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 2.162 120.888 118.700 0.043 0.000 2.520 608 N HA 0.061 4.802 4.740 0.001 0.000 0.273 608 N C -0.082 175.463 175.510 0.059 0.000 1.155 608 N CA 0.096 53.177 53.050 0.052 0.000 0.967 608 N CB 0.427 38.941 38.487 0.045 0.000 1.092 608 N HN 0.543 nan 8.380 nan 0.000 0.457 609 I N -1.765 118.851 120.570 0.077 0.000 3.994 609 I HA 0.418 4.589 4.170 0.001 0.000 0.323 609 I C -0.475 175.692 176.117 0.083 0.000 1.501 609 I CA -0.528 60.826 61.300 0.089 0.000 1.112 609 I CB 0.276 38.348 38.000 0.120 0.000 1.254 609 I HN 0.264 nan 8.210 nan 0.000 0.495 610 D N 2.523 122.963 120.400 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 0.006 54.030 54.000 0.040 0.000 0.835 610 D CB 0.637 41.479 40.800 0.071 0.000 1.078 610 D HN 0.249 nan 8.370 nan 0.000 0.495 611 N N 2.571 121.245 118.700 -0.043 0.000 2.681 611 N HA -0.221 4.520 4.740 0.001 0.000 0.259 611 N C -1.396 174.105 175.510 -0.014 0.000 1.066 611 N CA 1.330 54.356 53.050 -0.041 0.000 0.717 611 N CB -0.965 37.515 38.487 -0.011 0.000 0.885 611 N HN 0.550 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 -1.908 172.797 174.700 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 69.514 68.868 0.024 0.000 1.644 612 T HN 0.056 nan 8.240 nan 0.000 0.480 613 D N 2.313 122.726 120.400 0.022 0.000 2.313 613 D HA 0.493 5.134 4.640 0.001 0.000 0.239 613 D C 0.155 176.516 176.300 0.102 0.000 1.142 613 D CA -0.035 53.980 54.000 0.026 0.000 0.847 613 D CB 0.430 41.229 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 0.474 4.814 4.340 0.001 0.000 0.274 615 L C -1.486 175.513 176.870 0.214 0.000 0.988 615 L CA -0.456 54.462 54.840 0.130 0.000 0.824 615 L CB 2.332 44.460 42.059 0.114 0.000 1.263 615 L HN 0.526 nan 8.230 nan 0.000 0.410 616 F N 3.850 123.763 119.950 -0.062 0.000 2.347 616 F HA 0.525 5.052 4.527 0.001 0.000 0.366 616 F C -0.988 174.763 175.800 -0.081 0.000 1.107 616 F CA -0.670 57.341 58.000 0.017 0.000 1.058 616 F CB 0.665 39.660 39.000 -0.007 0.000 1.236 616 F HN 0.111 nan 8.300 nan 0.000 0.456 617 F N 5.353 125.355 119.950 0.086 0.000 2.388 617 F HA 0.272 4.799 4.527 0.001 0.000 0.358 617 F C -0.153 175.749 175.800 0.170 0.000 1.122 617 F CA -0.681 57.412 58.000 0.156 0.000 1.056 617 F CB 0.663 39.741 39.000 0.131 0.000 1.155 617 F HN 0.422 nan 8.300 nan 0.000 0.461 618 H N 1.627 120.890 119.070 0.322 0.000 2.476 618 H HA 0.456 5.013 4.556 0.001 0.000 0.328 618 H C -0.756 174.812 175.328 0.399 0.000 1.073 618 H CA -0.519 55.692 56.048 0.272 0.000 1.229 618 H CB 1.139 31.057 29.762 0.260 0.000 1.432 618 H HN 0.506 nan 8.280 nan 0.000 0.477 619 T N 7.544 122.088 114.554 -0.016 0.000 2.749 619 T HA 0.421 4.771 4.350 0.001 0.000 0.287 619 T C -0.915 173.754 174.700 -0.051 0.000 0.970 619 T CA -0.314 61.870 62.100 0.139 0.000 0.980 619 T CB -0.288 68.748 68.868 0.280 0.000 0.924 619 T HN 0.496 nan 8.240 nan 0.000 0.456 620 F N 0.397 120.297 119.950 -0.084 0.000 2.715 620 F HA 0.962 5.490 4.527 0.001 0.000 0.318 620 F C 0.128 176.080 175.800 0.254 0.000 1.141 620 F CA -0.894 57.101 58.000 -0.007 0.000 0.950 620 F CB 0.997 39.953 39.000 -0.074 0.000 1.374 620 F HN 0.878 nan 8.300 nan 0.000 0.477 621 G N 0.268 109.158 108.800 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 1.562 nan 8.290 nan 0.000 0.476 622 I N -3.103 117.587 120.570 0.199 0.000 3.174 622 I HA 0.870 5.041 4.170 0.001 0.000 0.313 622 I C -0.423 175.742 176.117 0.080 0.000 1.155 622 I CA -1.018 60.361 61.300 0.131 0.000 0.977 622 I CB 2.179 40.239 38.000 0.099 0.000 1.248 622 I HN 0.475 nan 8.210 nan 0.000 0.453 623 T N 1.177 115.734 114.554 0.005 0.000 2.770 623 T HA 0.337 4.688 4.350 0.001 0.000 0.283 623 T C -1.024 173.531 174.700 -0.241 0.000 0.988 623 T CA -0.135 61.871 62.100 -0.156 0.000 0.957 623 T CB -0.021 68.761 68.868 -0.144 0.000 0.930 623 T HN 0.655 nan 8.240 nan 0.000 0.443 624 H N 3.018 121.761 119.070 -0.544 0.000 2.541 624 H HA 0.426 4.983 4.556 0.001 0.000 0.316 624 H C -1.179 173.775 175.328 -0.624 0.000 1.043 624 H CA -1.086 54.661 56.048 -0.502 0.000 1.232 624 H CB 0.369 29.842 29.762 -0.481 0.000 1.406 624 H HN 0.424 nan 8.280 nan 0.000 0.469 625 F N 6.691 126.769 119.950 0.214 0.000 2.311 625 F HA 0.280 4.807 4.527 0.001 0.000 0.371 625 F C -1.996 173.892 175.800 0.147 0.000 1.083 625 F CA -2.558 55.499 58.000 0.095 0.000 1.113 625 F CB 0.832 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 0.105 63.259 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 4.177 127.110 122.820 0.187 0.000 2.515 627 A HA 0.608 4.929 4.320 0.001 0.000 0.296 627 A C -2.067 175.598 177.584 0.135 0.000 1.094 627 A CA -1.569 50.551 52.037 0.138 0.000 0.718 627 A CB 0.852 19.933 19.000 0.135 0.000 1.307 627 A HN 0.248 nan 8.150 nan 0.000 0.408 628 P HA -0.177 nan 4.420 nan 0.000 0.217 628 P C 0.755 178.157 177.300 0.170 0.000 1.148 628 P CA 1.615 64.802 63.100 0.144 0.000 0.828 628 P CB 0.260 32.029 31.700 0.115 0.000 0.783 629 E N -0.709 119.568 120.200 0.127 0.000 2.267 629 E HA -0.171 4.180 4.350 0.001 0.000 0.197 629 E C 1.307 177.974 176.600 0.111 0.000 0.998 629 E CA 1.057 57.518 56.400 0.102 0.000 0.830 629 E CB -0.741 29.003 29.700 0.074 0.000 0.751 629 E HN 0.356 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 -0.257 176.171 176.300 0.212 0.000 1.004 630 D CA 0.409 54.514 54.000 0.175 0.000 0.880 630 D CB 0.113 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 1.137 121.103 119.950 0.027 0.000 2.522 631 F HA 0.317 4.845 4.527 0.001 0.000 0.324 631 F C -1.711 174.094 175.800 0.009 0.000 1.077 631 F CA -2.374 55.633 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 32.175 31.700 -1.017 0.000 1.150 633 L N 0.982 121.970 121.223 -0.392 0.000 2.436 633 L HA 0.475 4.816 4.340 0.001 0.000 0.268 633 L C -0.349 176.370 176.870 -0.252 0.000 0.974 633 L CA -1.243 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 -0.153 nan 8.230 nan 0.000 0.406 634 M N 4.401 123.889 119.600 -0.186 0.000 2.318 634 M HA 0.628 5.109 4.480 0.001 0.000 0.347 634 M C -2.581 173.647 176.300 -0.121 0.000 1.175 634 M CA -1.568 53.675 55.300 -0.094 0.000 1.075 634 M CB 1.310 33.906 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 0.575 32.239 31.700 -0.060 0.000 0.901 636 A N 2.295 125.054 122.820 -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 0.400 52.374 52.037 -0.106 0.000 0.755 636 A CB -0.521 18.427 19.000 -0.086 0.000 0.978 636 A HN 0.591 nan 8.150 nan 0.000 0.507 637 E N 3.522 123.646 120.200 -0.126 0.000 2.158 637 E HA 0.458 4.809 4.350 0.001 0.000 0.271 637 E C -2.656 173.884 176.600 -0.101 0.000 0.911 637 E CA -2.235 54.092 56.400 -0.122 0.000 0.767 637 E CB 1.825 31.420 29.700 -0.174 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 -0.729 176.547 177.300 -0.041 0.000 1.283 638 P CA -0.360 62.700 63.100 -0.066 0.000 0.835 638 P CB 1.389 33.044 31.700 -0.075 0.000 1.017 639 I N 0.880 121.429 120.570 -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 70.415 68.868 -0.109 0.000 1.235 640 T HN 0.583 nan 8.240 nan 0.000 0.491 641 L N 1.823 122.886 121.223 -0.267 0.000 2.469 641 L HA 0.858 5.199 4.340 0.001 0.000 0.256 641 L C -1.721 175.022 176.870 -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 -2.138 174.135 176.300 -0.044 0.000 1.192 642 M CA -0.509 54.736 55.300 -0.093 0.000 0.886 642 M CB 2.720 35.286 32.600 -0.056 0.000 1.710 642 M HN 0.681 nan 8.290 nan 0.000 0.457 643 L N 4.477 125.712 121.223 0.021 0.000 2.345 643 L HA 0.581 4.922 4.340 0.001 0.000 0.274 643 L C -0.842 176.143 176.870 0.191 0.000 0.999 643 L CA -0.508 54.426 54.840 0.156 0.000 0.849 643 L CB 1.483 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 4.104 124.612 120.500 0.013 0.000 2.460 644 R HA 0.480 4.820 4.340 0.001 0.000 0.303 644 R C -2.564 173.383 176.300 -0.589 0.000 0.968 644 R CA -1.894 54.100 56.100 -0.178 0.000 0.889 644 R CB 1.384 31.628 30.300 -0.094 0.000 1.123 644 R HN 0.258 nan 8.270 nan 0.000 0.455 645 P HA 0.131 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 -0.266 62.226 63.100 -1.014 0.000 0.768 645 P CB 0.907 32.192 31.700 -0.691 0.000 0.856 646 R N 3.231 123.611 120.500 -0.200 0.000 2.473 646 R HA 0.274 4.615 4.340 0.001 0.000 0.303 646 R C 0.532 176.850 176.300 0.031 0.000 1.002 646 R CA -0.679 55.358 56.100 -0.105 0.000 0.884 646 R CB 0.106 30.401 30.300 -0.008 0.000 1.173 646 R HN 0.657 nan 8.270 nan 0.000 0.464 647 H N 0.879 119.971 119.070 0.036 0.000 3.237 647 H HA -0.218 4.339 4.556 0.001 0.000 0.231 647 H C 0.691 176.024 175.328 0.007 0.000 1.148 647 H CA 1.169 57.233 56.048 0.027 0.000 1.155 647 H CB -1.191 28.573 29.762 0.004 0.000 1.210 647 H HN 0.536 nan 8.280 nan 0.000 0.317 648 F N 0.417 120.293 119.950 -0.124 0.000 2.187 648 F HA 0.156 4.683 4.527 0.001 0.000 0.295 648 F C 0.958 176.493 175.800 -0.442 0.000 1.091 648 F CA 0.720 58.527 58.000 -0.321 0.000 1.308 648 F CB 0.243 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 -0.493 119.519 119.950 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 -0.243 57.764 58.000 0.012 0.000 1.009 649 F CB 0.721 39.740 39.000 0.031 0.000 1.276 649 F HN -0.250 nan 8.300 nan 0.000 0.492 650 T N -3.171 111.477 114.554 0.156 0.000 3.060 650 T HA 0.221 4.572 4.350 0.001 0.000 0.249 650 T C -0.116 174.694 174.700 0.183 0.000 1.079 650 T CA 0.176 62.295 62.100 0.031 0.000 1.013 650 T CB -0.478 68.218 68.868 -0.288 0.000 0.975 650 T HN 0.722 nan 8.240 nan 0.000 0.518 651 E N 0.327 120.619 120.200 0.153 0.000 2.409 651 E HA 0.234 4.585 4.350 0.001 0.000 0.280 651 E C -1.433 175.165 176.600 -0.004 0.000 1.079 651 E CA -1.140 55.310 56.400 0.084 0.000 0.840 651 E CB 0.174 29.921 29.700 0.077 0.000 1.309 651 E HN -0.115 nan 8.360 nan 0.000 0.447 652 N N 2.563 121.221 118.700 -0.071 0.000 2.236 652 N HA -0.043 4.698 4.740 0.001 0.000 0.274 652 N C -1.256 174.151 175.510 -0.171 0.000 1.339 652 N CA -0.761 52.206 53.050 -0.138 0.000 0.845 652 N CB 0.707 39.062 38.487 -0.220 0.000 1.091 652 N HN 0.424 nan 8.380 nan 0.000 0.489 653 P HA 0.011 nan 4.420 nan 0.000 0.237 653 P C 0.704 177.919 177.300 -0.140 0.000 1.178 653 P CA 0.676 63.522 63.100 -0.423 0.000 0.766 653 P CB 0.085 31.088 31.700 -1.161 0.000 0.876 654 G N -0.307 108.490 108.800 -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 0.171 nan 8.290 nan 0.000 0.544 655 L N 0.895 122.196 121.223 0.130 0.000 2.362 655 L HA 0.017 4.357 4.340 0.001 0.000 0.219 655 L C 1.790 178.742 176.870 0.136 0.000 1.134 655 L CA 0.905 55.816 54.840 0.119 0.000 0.807 655 L CB -0.038 41.995 42.059 -0.043 0.000 0.927 655 L HN 0.251 nan 8.230 nan 0.000 0.447 656 D N -0.128 120.344 120.400 0.120 0.000 2.336 656 D HA 0.055 4.696 4.640 0.001 0.000 0.228 656 D C 0.539 176.882 176.300 0.072 0.000 1.120 656 D CA 0.029 54.088 54.000 0.098 0.000 0.839 656 D CB -0.166 40.720 40.800 0.143 0.000 0.932 656 D HN 0.218 nan 8.370 nan 0.000 0.509 657 I N 1.265 121.888 120.570 0.088 0.000 2.365 657 I HA 0.038 4.209 4.170 0.001 0.000 0.291 657 I C 0.553 176.698 176.117 0.046 0.000 1.004 657 I CA -0.842 60.483 61.300 0.041 0.000 1.311 657 I CB 1.161 39.173 38.000 0.019 0.000 1.401 657 I HN -0.260 nan 8.210 nan 0.000 0.491 658 Q N 6.641 126.454 119.800 0.020 0.000 2.247 658 Q HA 0.119 4.459 4.340 0.001 0.000 0.288 658 Q C -2.146 173.865 176.000 0.018 0.000 1.079 658 Q CA -1.162 54.653 55.803 0.020 0.000 0.932 658 Q CB 0.036 28.780 28.738 0.010 0.000 1.133 658 Q HN 0.301 nan 8.270 nan 0.000 0.377 659 P HA 0.063 nan 4.420 nan 0.000 0.270 659 P C 0.244 177.562 177.300 0.031 0.000 1.223 659 P CA 0.017 63.137 63.100 0.033 0.000 0.785 659 P CB 0.731 32.462 31.700 0.052 0.000 0.923 660 S N -0.454 115.274 115.700 0.046 0.000 2.470 660 S HA 0.048 4.518 4.470 0.001 0.000 0.225 660 S C -0.111 174.589 174.600 0.167 0.000 1.006 660 S CA 0.774 59.019 58.200 0.075 0.000 0.934 660 S CB -0.402 62.831 63.200 0.056 0.000 0.778 660 S HN 0.574 nan 8.310 nan 0.000 0.517 661 Y N -0.266 120.041 120.300 0.012 0.000 2.521 661 Y HA 0.531 5.082 4.550 0.001 0.000 0.328 661 Y C -1.880 174.040 175.900 0.032 0.000 1.151 661 Y CA -1.132 56.979 58.100 0.019 0.000 1.054 661 Y CB 0.792 39.261 38.460 0.015 0.000 1.338 661 Y HN -0.103 nan 8.280 nan 0.000 0.453 662 A N 6.532 128.886 122.820 -0.776 0.000 2.513 662 A HA 0.630 4.951 4.320 0.001 0.000 0.285 662 A C -1.929 175.327 177.584 -0.546 0.000 1.047 662 A CA -0.376 51.383 52.037 -0.462 0.000 0.864 662 A CB 0.884 19.781 19.000 -0.172 0.000 1.373 662 A HN 0.842 nan 8.150 nan 0.000 0.403 663 M N 2.628 121.995 119.600 -0.388 0.000 2.253 663 M HA 0.549 5.029 4.480 0.001 0.000 0.314 663 M C -0.324 175.933 176.300 -0.071 0.000 1.019 663 M CA 0.046 55.222 55.300 -0.207 0.000 0.932 663 M CB 1.811 34.357 32.600 -0.090 0.000 1.606 663 M HN 0.629 nan 8.290 nan 0.000 0.430 664 T N 2.576 117.096 114.554 -0.057 0.000 2.849 664 T HA 0.192 4.543 4.350 0.001 0.000 0.284 664 T C 1.063 175.754 174.700 -0.016 0.000 1.004 664 T CA -0.197 61.887 62.100 -0.028 0.000 1.021 664 T CB 1.299 70.148 68.868 -0.031 0.000 1.013 664 T HN 0.849 nan 8.240 nan 0.000 0.527 665 T N 1.850 116.397 114.554 -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 -0.402 68.450 68.868 -0.027 0.000 0.866 665 T HN 0.759 nan 8.240 nan 0.000 0.444 666 S N 1.865 117.554 115.700 -0.019 0.000 2.368 666 S HA -0.140 4.330 4.470 0.001 0.000 0.225 666 S C 1.870 176.461 174.600 -0.015 0.000 1.030 666 S CA 1.173 59.363 58.200 -0.018 0.000 0.999 666 S CB -0.471 62.719 63.200 -0.017 0.000 0.844 666 S HN 0.626 nan 8.310 nan 0.000 0.459 667 E N 1.875 122.065 120.200 -0.017 0.000 2.150 667 E HA 0.002 4.353 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 0.923 57.314 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 1.912 124.731 122.820 -0.002 0.000 1.902 668 A HA -0.215 4.106 4.320 0.001 0.000 0.217 668 A C 1.988 179.573 177.584 0.002 0.000 1.181 668 A CA 1.398 53.441 52.037 0.010 0.000 0.623 668 A CB -0.246 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 -0.855 119.540 120.400 -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 1.507 57.788 56.287 -0.010 0.000 0.932 669 K CB -0.250 32.241 32.500 -0.015 0.000 0.716 669 K HN 0.376 nan 8.250 nan 0.000 0.439 670 R N 0.761 121.258 120.500 -0.005 0.000 2.185 670 R HA -0.123 4.218 4.340 0.001 0.000 0.247 670 R C 0.699 177.000 176.300 0.001 0.000 1.159 670 R CA 1.222 57.320 56.100 -0.003 0.000 0.988 670 R CB -0.180 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 1.229 124.053 122.820 0.006 0.000 3.074 671 A HA 0.334 4.655 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 -0.062 51.982 52.037 0.012 0.000 1.343 671 A CB -0.524 18.490 19.000 0.023 0.000 1.078 671 A HN 0.162 nan 8.150 nan 0.000 0.644 672 V N 0.000 119.917 119.914 0.006 0.000 2.409 672 V HA 0.000 4.121 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