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 3igu_1_A DATA FIRST_RESID 18 DATA SEQUENCE LDNGLLQTPP MGWLAWERFR cNINcDEDPK NcISEQLFME MADRMAQDGW DATA SEQUENCE RDMGYTYLNI DDcWIGGRDA SGRLMPDPKR FPHGIPFLAD YVHSLGLKLG DATA SEQUENCE IYADMGNFTc MGYPGTTLDK VVQDAQTFAE WKVDMLKLDG cFSTPEERAQ DATA SEQUENCE GYPKMAAALN ATGRPIAFSc SWPAYEGGLP PRVQYSLLAD IcNLWRNYDD DATA SEQUENCE IQDSWWSVLS ILNWFVEHQD ILQPVAGPGH WNDPDMLLIG NFGLSLEQSR DATA SEQUENCE AQMALWTVLA APLLMSTDLR TISAQNMDIL QNPLMIKINQ DPLGIQGRRI DATA SEQUENCE HKEKSLIEVY MRPLSNKASA LVFFSCRTDM PYRYHSSLGQ LNFTGSVIYE DATA SEQUENCE AQDVYSGDII SGLRDETNFT VIINPSGVVM WYLYPIK 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 L HA 0.000 nan 4.340 nan 0.000 0.249 18 L C 0.000 176.965 176.870 0.158 0.000 1.165 18 L CA 0.000 54.960 54.840 0.201 0.000 0.813 18 L CB 0.000 42.211 42.059 0.253 0.000 0.961 19 D N 2.115 122.590 120.400 0.124 0.000 3.085 19 D HA 0.211 4.851 4.640 -0.000 0.000 0.243 19 D C 0.581 176.935 176.300 0.090 0.000 1.232 19 D CA 0.305 54.364 54.000 0.098 0.000 0.913 19 D CB 0.085 40.930 40.800 0.074 0.000 1.108 19 D HN 0.584 nan 8.370 nan 0.000 0.468 20 N N -0.364 118.399 118.700 0.105 0.000 2.214 20 N HA 0.129 4.868 4.740 -0.000 0.000 0.214 20 N C 1.358 176.923 175.510 0.092 0.000 1.132 20 N CA 0.211 53.319 53.050 0.096 0.000 0.856 20 N CB 0.275 38.828 38.487 0.111 0.000 1.020 20 N HN 0.107 nan 8.380 nan 0.000 0.509 21 G N 0.025 108.879 108.800 0.090 0.000 2.168 21 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.263 21 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.263 21 G C -0.386 174.576 174.900 0.104 0.000 0.977 21 G CA 0.593 45.743 45.100 0.085 0.000 0.659 21 G HN 0.370 nan 8.290 nan 0.000 0.533 22 L N -0.584 120.715 121.223 0.127 0.000 2.334 22 L HA 0.675 5.014 4.340 -0.000 0.000 0.275 22 L C 0.949 177.932 176.870 0.189 0.000 1.036 22 L CA -1.342 53.595 54.840 0.161 0.000 0.807 22 L CB 1.465 43.633 42.059 0.181 0.000 1.231 22 L HN 0.024 nan 8.230 nan 0.000 0.438 23 L N 2.391 123.752 121.223 0.230 0.000 3.548 23 L HA -0.213 4.127 4.340 -0.000 0.000 0.443 23 L C 1.381 178.496 176.870 0.407 0.000 1.286 23 L CA 0.535 55.566 54.840 0.319 0.000 0.863 23 L CB -1.505 40.764 42.059 0.350 0.000 1.734 23 L HN 0.746 nan 8.230 nan 0.000 0.873 24 Q N -1.020 118.941 119.800 0.268 0.000 2.291 24 Q HA 0.015 4.354 4.340 -0.000 0.000 0.206 24 Q C 1.221 177.472 176.000 0.418 0.000 0.976 24 Q CA 1.558 57.509 55.803 0.247 0.000 0.875 24 Q CB -0.016 28.809 28.738 0.144 0.000 0.927 24 Q HN 0.848 nan 8.270 nan 0.000 0.450 25 T N -2.617 112.136 114.554 0.332 0.000 2.930 25 T HA 0.567 4.917 4.350 -0.000 0.000 0.290 25 T C -2.832 171.728 174.700 -0.234 0.000 1.052 25 T CA -2.572 59.599 62.100 0.118 0.000 1.017 25 T CB 2.254 71.108 68.868 -0.023 0.000 1.137 25 T HN -0.277 nan 8.240 nan 0.000 0.511 26 P HA 0.218 nan 4.420 nan 0.000 0.266 26 P C -2.392 174.653 177.300 -0.426 0.000 1.195 26 P CA -0.952 61.457 63.100 -1.151 0.000 0.768 26 P CB -0.426 30.632 31.700 -1.070 0.000 0.838 27 P HA 0.140 nan 4.420 nan 0.000 0.271 27 P C -0.691 176.589 177.300 -0.032 0.000 1.218 27 P CA 0.534 63.593 63.100 -0.069 0.000 0.780 27 P CB 0.546 32.133 31.700 -0.189 0.000 0.901 28 M N 1.755 121.414 119.600 0.098 0.000 2.321 28 M HA 0.682 5.162 4.480 -0.000 0.000 0.315 28 M C 0.442 176.929 176.300 0.312 0.000 1.052 28 M CA 0.021 55.353 55.300 0.053 0.000 0.936 28 M CB 2.668 35.105 32.600 -0.272 0.000 1.639 28 M HN 0.656 nan 8.290 nan 0.000 0.433 29 G N 1.602 110.677 108.800 0.457 0.000 2.441 29 G HA2 0.309 4.269 3.960 -0.000 0.000 0.225 29 G HA3 0.309 4.269 3.960 -0.000 0.000 0.225 29 G C -2.900 172.276 174.900 0.460 0.000 1.200 29 G CA -0.700 44.710 45.100 0.517 0.000 0.947 29 G HN 0.724 nan 8.290 nan 0.000 0.484 30 W N 0.265 121.669 121.300 0.175 0.000 2.998 30 W HA 0.811 5.471 4.660 -0.001 0.000 0.335 30 W C -1.593 175.019 176.519 0.155 0.000 1.110 30 W CA -0.879 56.516 57.345 0.084 0.000 1.230 30 W CB 1.722 31.171 29.460 -0.018 0.000 1.405 30 W HN 0.494 nan 8.180 nan 0.000 0.493 31 L N 5.506 126.465 121.223 -0.441 0.000 2.386 31 L HA 0.561 4.901 4.340 -0.000 0.000 0.271 31 L C 0.936 177.270 176.870 -0.892 0.000 0.993 31 L CA -0.254 54.372 54.840 -0.357 0.000 0.819 31 L CB 2.296 44.299 42.059 -0.094 0.000 1.294 31 L HN 0.796 nan 8.230 nan 0.000 0.414 32 A N 5.138 127.655 122.820 -0.505 0.000 2.015 32 A HA -0.153 4.166 4.320 -0.000 0.000 0.219 32 A C 1.750 179.317 177.584 -0.028 0.000 1.163 32 A CA 1.049 52.875 52.037 -0.352 0.000 0.646 32 A CB -0.504 18.663 19.000 0.279 0.000 0.806 32 A HN 1.001 nan 8.150 nan 0.000 0.448 33 W N 0.785 122.016 121.300 -0.116 0.000 2.354 33 W HA -0.154 4.506 4.660 -0.001 0.000 0.315 33 W C 2.009 178.506 176.519 -0.037 0.000 1.206 33 W CA 2.004 59.331 57.345 -0.031 0.000 1.290 33 W CB -0.144 29.306 29.460 -0.017 0.000 1.152 33 W HN 0.445 nan 8.180 nan 0.000 0.489 34 E N 0.976 121.110 120.200 -0.110 0.000 2.058 34 E HA -0.272 4.077 4.350 -0.000 0.000 0.194 34 E C 2.145 178.557 176.600 -0.314 0.000 0.997 34 E CA 1.707 57.987 56.400 -0.199 0.000 0.801 34 E CB -0.303 29.359 29.700 -0.064 0.000 0.746 34 E HN 0.130 nan 8.360 nan 0.000 0.450 35 R N -0.897 119.408 120.500 -0.325 0.000 2.100 35 R HA 0.003 4.343 4.340 -0.000 0.000 0.220 35 R C 1.902 177.830 176.300 -0.620 0.000 1.091 35 R CA 1.271 57.078 56.100 -0.488 0.000 0.986 35 R CB -0.448 29.455 30.300 -0.662 0.000 0.888 35 R HN 0.147 nan 8.270 nan 0.000 0.444 36 F N 0.291 120.120 119.950 -0.202 0.000 2.724 36 F HA 0.377 4.904 4.527 -0.000 0.000 0.306 36 F C 0.890 176.522 175.800 -0.279 0.000 1.100 36 F CA -0.379 57.524 58.000 -0.162 0.000 1.255 36 F CB 0.294 39.255 39.000 -0.065 0.000 1.072 36 F HN -0.181 nan 8.300 nan 0.000 0.589 37 R N -0.299 119.929 120.500 -0.454 0.000 3.726 37 R HA -0.343 3.996 4.340 -0.000 0.000 0.510 37 R C 0.699 176.751 176.300 -0.414 0.000 0.241 37 R CA 1.390 56.868 56.100 -1.037 0.000 1.592 37 R CB -1.911 27.891 30.300 -0.829 0.000 0.955 37 R HN 0.301 nan 8.270 nan 0.000 0.585 38 c N 2.965 121.444 118.600 -0.202 0.000 2.352 38 c HA 0.215 4.785 4.570 -0.000 0.000 0.321 38 c C 0.335 174.491 174.090 0.111 0.000 1.407 38 c CA -0.549 55.862 56.329 0.137 0.000 1.783 38 c CB -2.122 40.573 42.510 0.308 0.000 2.698 38 c HN 0.374 nan 8.230 nan 0.000 0.555 39 N N 1.777 120.517 118.700 0.067 0.000 2.400 39 N HA 0.113 4.853 4.740 -0.000 0.000 0.267 39 N C 0.689 176.260 175.510 0.102 0.000 1.208 39 N CA -0.016 53.079 53.050 0.075 0.000 0.951 39 N CB 0.232 38.759 38.487 0.068 0.000 1.227 39 N HN 0.714 nan 8.380 nan 0.000 0.488 40 I N -0.369 120.271 120.570 0.115 0.000 3.976 40 I HA 0.355 4.525 4.170 -0.000 0.000 0.337 40 I C 0.377 176.547 176.117 0.088 0.000 1.359 40 I CA -0.460 60.917 61.300 0.129 0.000 1.098 40 I CB -0.136 37.980 38.000 0.194 0.000 1.027 40 I HN 0.139 nan 8.210 nan 0.000 0.394 41 N N 1.534 120.272 118.700 0.064 0.000 3.050 41 N HA 0.134 4.873 4.740 -0.000 0.000 0.289 41 N C 0.718 176.244 175.510 0.026 0.000 1.209 41 N CA -0.101 52.975 53.050 0.043 0.000 1.154 41 N CB -0.005 38.503 38.487 0.035 0.000 1.444 41 N HN 0.372 nan 8.380 nan 0.000 0.529 42 c N 0.330 118.942 118.600 0.021 0.000 2.448 42 c HA 0.008 4.577 4.570 -0.000 0.000 0.280 42 c C 1.936 176.024 174.090 -0.004 0.000 1.398 42 c CA -0.031 56.297 56.329 -0.002 0.000 1.774 42 c CB -0.327 42.173 42.510 -0.017 0.000 1.888 42 c HN 0.588 nan 8.230 nan 0.000 0.519 43 D N 0.988 121.390 120.400 0.004 0.000 2.097 43 D HA -0.109 4.531 4.640 -0.000 0.000 0.195 43 D C 2.084 178.384 176.300 0.000 0.000 0.989 43 D CA 1.348 55.348 54.000 0.001 0.000 0.827 43 D CB -0.316 40.487 40.800 0.005 0.000 0.966 43 D HN 0.602 nan 8.370 nan 0.000 0.456 44 E N -0.481 119.722 120.200 0.004 0.000 2.250 44 E HA -0.045 4.305 4.350 -0.000 0.000 0.192 44 E C 0.142 176.745 176.600 0.004 0.000 0.986 44 E CA 0.368 56.770 56.400 0.004 0.000 0.849 44 E CB 0.481 30.184 29.700 0.006 0.000 0.797 44 E HN -0.020 nan 8.360 nan 0.000 0.482 45 D N -0.256 120.148 120.400 0.007 0.000 2.749 45 D HA 0.088 4.728 4.640 -0.000 0.000 0.338 45 D C -1.922 174.378 176.300 0.000 0.000 1.236 45 D CA -2.064 51.942 54.000 0.010 0.000 0.845 45 D CB 0.684 41.498 40.800 0.022 0.000 1.080 45 D HN -0.101 nan 8.370 nan 0.000 0.497 46 P HA -0.147 nan 4.420 nan 0.000 0.218 46 P C 1.092 178.361 177.300 -0.051 0.000 1.148 46 P CA 0.811 63.891 63.100 -0.033 0.000 0.822 46 P CB 0.636 32.318 31.700 -0.031 0.000 0.784 47 K N -0.666 119.715 120.400 -0.032 0.000 2.296 47 K HA 0.035 4.355 4.320 -0.000 0.000 0.200 47 K C 1.545 178.113 176.600 -0.053 0.000 1.048 47 K CA 0.836 57.098 56.287 -0.042 0.000 0.966 47 K CB -0.109 32.387 32.500 -0.006 0.000 0.754 47 K HN 0.119 nan 8.250 nan 0.000 0.466 48 N N -0.627 118.073 118.700 -0.000 0.000 2.166 48 N HA 0.038 4.778 4.740 -0.000 0.000 0.213 48 N C -0.014 175.521 175.510 0.043 0.000 1.222 48 N CA 0.044 53.145 53.050 0.086 0.000 0.900 48 N CB 0.342 38.978 38.487 0.249 0.000 1.055 48 N HN 0.203 nan 8.380 nan 0.000 0.515 49 c N 0.864 119.452 118.600 -0.020 0.000 2.656 49 c HA 0.403 4.972 4.570 -0.000 0.000 0.391 49 c C 0.971 175.019 174.090 -0.069 0.000 1.300 49 c CA -1.185 55.139 56.329 -0.007 0.000 2.302 49 c CB -0.069 42.439 42.510 -0.004 0.000 2.655 49 c HN 0.099 nan 8.230 nan 0.000 0.656 50 I N 4.160 124.745 120.570 0.025 0.000 2.471 50 I HA 0.268 4.438 4.170 -0.000 0.000 0.294 50 I C 0.861 176.995 176.117 0.030 0.000 1.123 50 I CA 1.274 62.631 61.300 0.095 0.000 1.336 50 I CB -1.142 37.038 38.000 0.299 0.000 1.430 50 I HN 1.048 nan 8.210 nan 0.000 0.533 51 S N 4.019 119.600 115.700 -0.198 0.000 2.596 51 S HA 0.363 4.833 4.470 -0.000 0.000 0.270 51 S C 0.710 174.988 174.600 -0.537 0.000 1.155 51 S CA -0.710 57.142 58.200 -0.581 0.000 0.827 51 S CB 1.869 64.864 63.200 -0.341 0.000 1.130 51 S HN 0.621 nan 8.310 nan 0.000 0.467 52 E N 0.644 120.387 120.200 -0.762 0.000 2.160 52 E HA -0.288 4.061 4.350 -0.000 0.000 0.195 52 E C 1.702 178.269 176.600 -0.055 0.000 0.991 52 E CA 1.312 57.616 56.400 -0.160 0.000 0.810 52 E CB -0.377 29.313 29.700 -0.017 0.000 0.742 52 E HN 0.739 nan 8.360 nan 0.000 0.466 53 Q N 0.556 120.261 119.800 -0.159 0.000 2.096 53 Q HA -0.201 4.138 4.340 -0.000 0.000 0.204 53 Q C 2.322 178.197 176.000 -0.208 0.000 0.982 53 Q CA 1.466 57.175 55.803 -0.157 0.000 0.850 53 Q CB -0.105 28.543 28.738 -0.149 0.000 0.901 53 Q HN 0.417 nan 8.270 nan 0.000 0.422 54 L N 0.051 121.090 121.223 -0.307 0.000 2.012 54 L HA -0.157 4.182 4.340 -0.000 0.000 0.210 54 L C 1.890 178.442 176.870 -0.530 0.000 1.073 54 L CA 1.800 56.337 54.840 -0.505 0.000 0.748 54 L CB -0.571 41.045 42.059 -0.738 0.000 0.891 54 L HN 0.239 nan 8.230 nan 0.000 0.431 55 F N -1.069 118.772 119.950 -0.182 0.000 2.186 55 F HA -0.161 4.366 4.527 -0.001 0.000 0.299 55 F C 2.385 178.086 175.800 -0.164 0.000 1.090 55 F CA 1.461 59.374 58.000 -0.144 0.000 1.307 55 F CB -0.676 38.345 39.000 0.035 0.000 1.019 55 F HN 0.038 nan 8.300 nan 0.000 0.489 56 M N -0.337 119.255 119.600 -0.013 0.000 2.132 56 M HA -0.194 4.286 4.480 -0.000 0.000 0.263 56 M C 2.082 178.347 176.300 -0.058 0.000 1.065 56 M CA 1.667 56.902 55.300 -0.109 0.000 1.122 56 M CB -0.463 31.925 32.600 -0.353 0.000 1.365 56 M HN 0.128 nan 8.290 nan 0.000 0.411 57 E N -0.157 119.960 120.200 -0.140 0.000 2.072 57 E HA -0.169 4.180 4.350 -0.000 0.000 0.191 57 E C 2.061 178.543 176.600 -0.195 0.000 0.985 57 E CA 1.060 57.375 56.400 -0.142 0.000 0.801 57 E CB 0.005 29.604 29.700 -0.169 0.000 0.750 57 E HN 0.410 nan 8.360 nan 0.000 0.452 58 M N 0.268 119.658 119.600 -0.349 0.000 2.132 58 M HA -0.089 4.391 4.480 -0.000 0.000 0.263 58 M C 2.460 178.559 176.300 -0.334 0.000 1.065 58 M CA 1.174 56.152 55.300 -0.536 0.000 1.122 58 M CB -1.110 30.816 32.600 -1.124 0.000 1.365 58 M HN 0.097 nan 8.290 nan 0.000 0.411 59 A N 0.622 123.345 122.820 -0.162 0.000 1.883 59 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 59 A C 1.893 179.479 177.584 0.003 0.000 1.186 59 A CA 2.094 54.118 52.037 -0.022 0.000 0.624 59 A CB -0.827 18.246 19.000 0.122 0.000 0.822 59 A HN 0.407 nan 8.150 nan 0.000 0.444 60 D N -0.432 119.991 120.400 0.037 0.000 2.116 60 D HA -0.156 4.483 4.640 -0.000 0.000 0.193 60 D C 2.195 178.506 176.300 0.018 0.000 0.998 60 D CA 1.180 55.201 54.000 0.035 0.000 0.836 60 D CB -0.338 40.491 40.800 0.048 0.000 0.951 60 D HN 0.324 nan 8.370 nan 0.000 0.449 61 R N 0.080 120.573 120.500 -0.011 0.000 2.081 61 R HA 0.001 4.341 4.340 -0.000 0.000 0.235 61 R C 2.467 178.877 176.300 0.184 0.000 1.131 61 R CA 0.676 56.806 56.100 0.051 0.000 0.960 61 R CB -0.612 29.678 30.300 -0.017 0.000 0.856 61 R HN 0.349 nan 8.270 nan 0.000 0.436 62 M N 0.180 119.837 119.600 0.095 0.000 2.213 62 M HA -0.100 4.380 4.480 -0.000 0.000 0.263 62 M C 2.432 178.859 176.300 0.210 0.000 1.062 62 M CA 1.834 57.270 55.300 0.228 0.000 1.105 62 M CB -0.369 32.276 32.600 0.075 0.000 1.385 62 M HN 0.160 nan 8.290 nan 0.000 0.417 63 A N -0.117 122.761 122.820 0.097 0.000 1.930 63 A HA -0.132 4.188 4.320 -0.000 0.000 0.215 63 A C 1.983 179.592 177.584 0.041 0.000 1.176 63 A CA 1.210 53.276 52.037 0.049 0.000 0.632 63 A CB -0.378 18.618 19.000 -0.007 0.000 0.819 63 A HN 0.547 nan 8.150 nan 0.000 0.445 64 Q N -0.904 118.925 119.800 0.049 0.000 2.339 64 Q HA -0.009 4.330 4.340 -0.000 0.000 0.205 64 Q C 0.170 176.175 176.000 0.007 0.000 0.925 64 Q CA 0.880 56.696 55.803 0.022 0.000 0.898 64 Q CB 0.260 29.009 28.738 0.020 0.000 1.013 64 Q HN 0.461 nan 8.270 nan 0.000 0.504 65 D N -1.043 119.376 120.400 0.033 0.000 2.424 65 D HA 0.181 4.820 4.640 -0.000 0.000 0.220 65 D C 0.737 176.849 176.300 -0.314 0.000 1.150 65 D CA 0.550 54.506 54.000 -0.074 0.000 0.831 65 D CB 0.933 41.764 40.800 0.052 0.000 0.981 65 D HN 0.318 nan 8.370 nan 0.000 0.500 66 G N 0.177 108.860 108.800 -0.195 0.000 2.217 66 G HA2 -0.320 3.639 3.960 -0.000 0.000 0.246 66 G HA3 -0.320 3.639 3.960 -0.000 0.000 0.246 66 G C 1.108 175.904 174.900 -0.172 0.000 0.990 66 G CA 0.162 45.126 45.100 -0.227 0.000 0.627 66 G HN 0.332 nan 8.290 nan 0.000 0.522 67 W N 0.469 121.796 121.300 0.044 0.000 2.353 67 W HA 0.053 4.713 4.660 -0.000 0.000 0.319 67 W C 2.757 179.396 176.519 0.199 0.000 1.207 67 W CA 1.713 59.126 57.345 0.112 0.000 1.291 67 W CB -0.490 28.977 29.460 0.013 0.000 1.159 67 W HN 0.312 nan 8.180 nan 0.000 0.478 68 R N 0.747 121.449 120.500 0.337 0.000 2.096 68 R HA -0.209 4.131 4.340 -0.000 0.000 0.240 68 R C 1.615 177.993 176.300 0.131 0.000 1.139 68 R CA 2.324 58.545 56.100 0.202 0.000 0.952 68 R CB -0.703 29.667 30.300 0.117 0.000 0.854 68 R HN 0.096 nan 8.270 nan 0.000 0.436 69 D N -0.050 120.401 120.400 0.086 0.000 2.218 69 D HA -0.160 4.479 4.640 -0.000 0.000 0.204 69 D C 1.604 177.928 176.300 0.040 0.000 0.976 69 D CA 1.016 55.038 54.000 0.037 0.000 0.853 69 D CB -0.001 40.799 40.800 0.000 0.000 0.939 69 D HN 0.270 nan 8.370 nan 0.000 0.481 70 M N -1.176 118.479 119.600 0.091 0.000 2.556 70 M HA 0.190 4.669 4.480 -0.000 0.000 0.245 70 M C 1.428 177.750 176.300 0.037 0.000 1.128 70 M CA 0.425 55.776 55.300 0.086 0.000 1.069 70 M CB 0.152 32.851 32.600 0.165 0.000 1.469 70 M HN 0.173 nan 8.290 nan 0.000 0.494 71 G N -0.611 108.223 108.800 0.057 0.000 2.192 71 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.193 71 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.193 71 G C -0.309 174.567 174.900 -0.040 0.000 0.999 71 G CA -0.650 44.428 45.100 -0.037 0.000 0.659 71 G HN 0.411 nan 8.290 nan 0.000 0.503 72 Y N 2.678 123.078 120.300 0.166 0.000 2.680 72 Y HA 0.367 4.916 4.550 -0.001 0.000 0.356 72 Y C 2.008 178.000 175.900 0.153 0.000 1.122 72 Y CA 1.033 59.254 58.100 0.202 0.000 1.509 72 Y CB 0.697 39.338 38.460 0.302 0.000 1.245 72 Y HN 0.254 nan 8.280 nan 0.000 0.513 73 T N -1.493 113.181 114.554 0.201 0.000 2.978 73 T HA 0.134 4.484 4.350 -0.000 0.000 0.248 73 T C -0.002 174.688 174.700 -0.018 0.000 1.018 73 T CA -0.052 62.069 62.100 0.035 0.000 1.026 73 T CB -0.182 68.609 68.868 -0.129 0.000 1.032 73 T HN 0.200 nan 8.240 nan 0.000 0.485 74 Y N 1.476 121.882 120.300 0.176 0.000 2.335 74 Y HA 0.580 5.130 4.550 -0.001 0.000 0.331 74 Y C -0.145 175.897 175.900 0.237 0.000 1.094 74 Y CA -1.492 56.716 58.100 0.180 0.000 1.253 74 Y CB 0.938 39.494 38.460 0.160 0.000 1.203 74 Y HN 0.138 nan 8.280 nan 0.000 0.508 75 L N 5.303 126.743 121.223 0.362 0.000 2.318 75 L HA 0.528 4.868 4.340 -0.000 0.000 0.277 75 L C -1.488 175.620 176.870 0.396 0.000 1.008 75 L CA -0.387 54.699 54.840 0.410 0.000 0.846 75 L CB 0.328 42.545 42.059 0.263 0.000 1.220 75 L HN 0.539 nan 8.230 nan 0.000 0.423 76 N N 5.696 124.683 118.700 0.478 0.000 2.417 76 N HA 0.490 5.230 4.740 -0.000 0.000 0.274 76 N C -0.618 175.079 175.510 0.311 0.000 0.987 76 N CA -0.283 52.939 53.050 0.287 0.000 0.912 76 N CB 1.937 40.553 38.487 0.215 0.000 1.177 76 N HN 0.509 nan 8.380 nan 0.000 0.490 77 I N 0.941 121.534 120.570 0.038 0.000 2.634 77 I HA 0.057 4.226 4.170 -0.000 0.000 0.284 77 I C 0.959 177.165 176.117 0.148 0.000 1.124 77 I CA 0.231 61.508 61.300 -0.039 0.000 1.417 77 I CB 0.613 38.261 38.000 -0.586 0.000 1.396 77 I HN 0.492 nan 8.210 nan 0.000 0.571 78 D N 2.842 123.402 120.400 0.266 0.000 2.636 78 D HA 0.155 4.795 4.640 -0.000 0.000 0.236 78 D C -0.459 175.735 176.300 -0.177 0.000 1.176 78 D CA -0.436 53.617 54.000 0.088 0.000 1.081 78 D CB 0.626 41.528 40.800 0.170 0.000 1.213 78 D HN 0.454 nan 8.370 nan 0.000 0.633 79 D N -0.937 118.988 120.400 -0.790 0.000 2.362 79 D HA 0.049 4.689 4.640 -0.000 0.000 0.238 79 D C 0.003 176.213 176.300 -0.149 0.000 1.212 79 D CA 0.199 53.739 54.000 -0.766 0.000 0.902 79 D CB 0.459 40.796 40.800 -0.771 0.000 1.180 79 D HN 0.584 nan 8.370 nan 0.000 0.445 80 c N 1.315 119.639 118.600 -0.459 0.000 4.534 80 c HA -0.114 4.456 4.570 -0.000 0.000 0.275 80 c C 1.559 175.460 174.090 -0.316 0.000 1.291 80 c CA 0.057 55.874 56.329 -0.852 0.000 1.876 80 c CB -2.520 39.829 42.510 -0.269 0.000 1.339 80 c HN 0.793 nan 8.230 nan 0.000 0.746 81 W N 0.093 121.266 121.300 -0.213 0.000 2.812 81 W HA 0.478 5.138 4.660 -0.000 0.000 0.263 81 W C 0.501 176.979 176.519 -0.068 0.000 1.284 81 W CA -0.149 57.145 57.345 -0.086 0.000 1.430 81 W CB -0.546 28.750 29.460 -0.272 0.000 1.088 81 W HN 0.362 nan 8.180 nan 0.000 0.623 82 I N 2.187 122.300 120.570 -0.761 0.000 2.529 82 I HA 0.212 4.382 4.170 -0.000 0.000 0.284 82 I C 1.710 177.804 176.117 -0.038 0.000 1.082 82 I CA 0.614 61.496 61.300 -0.698 0.000 1.406 82 I CB 1.251 38.812 38.000 -0.732 0.000 1.405 82 I HN 0.017 nan 8.210 nan 0.000 0.548 83 G N 3.493 112.293 108.800 0.000 0.000 2.656 83 G HA2 0.529 4.489 3.960 -0.000 0.000 0.211 83 G HA3 0.529 4.489 3.960 -0.000 0.000 0.211 83 G C 0.524 175.464 174.900 0.066 0.000 1.137 83 G CA 0.593 45.752 45.100 0.100 0.000 0.802 83 G HN 0.962 nan 8.290 nan 0.000 0.527 84 G N -0.745 108.074 108.800 0.031 0.000 2.356 84 G HA2 0.322 4.281 3.960 -0.000 0.000 0.266 84 G HA3 0.322 4.281 3.960 -0.000 0.000 0.266 84 G C -1.581 173.334 174.900 0.025 0.000 1.312 84 G CA -1.066 44.049 45.100 0.025 0.000 0.922 84 G HN 0.324 nan 8.290 nan 0.000 0.480 85 R N 0.564 121.076 120.500 0.020 0.000 2.670 85 R HA 0.515 4.855 4.340 -0.000 0.000 0.289 85 R C -0.662 175.653 176.300 0.026 0.000 0.965 85 R CA -0.685 55.426 56.100 0.019 0.000 0.899 85 R CB 1.987 32.279 30.300 -0.013 0.000 1.173 85 R HN 0.812 nan 8.270 nan 0.000 0.456 86 D N 1.438 121.860 120.400 0.037 0.000 2.478 86 D HA 0.113 4.753 4.640 -0.000 0.000 0.274 86 D C 0.865 177.175 176.300 0.016 0.000 1.234 86 D CA -0.444 53.578 54.000 0.036 0.000 1.069 86 D CB 0.396 41.230 40.800 0.056 0.000 1.113 86 D HN 0.421 nan 8.370 nan 0.000 0.571 87 A N -0.509 122.321 122.820 0.016 0.000 2.070 87 A HA -0.090 4.230 4.320 -0.000 0.000 0.220 87 A C 1.970 179.553 177.584 -0.003 0.000 1.159 87 A CA 1.374 53.415 52.037 0.005 0.000 0.656 87 A CB -0.677 18.327 19.000 0.008 0.000 0.800 87 A HN 0.429 nan 8.150 nan 0.000 0.453 88 S N -1.677 114.022 115.700 -0.002 0.000 2.575 88 S HA 0.369 4.839 4.470 -0.000 0.000 0.215 88 S C 1.355 175.938 174.600 -0.029 0.000 0.966 88 S CA 0.663 58.854 58.200 -0.014 0.000 0.911 88 S CB 0.063 63.257 63.200 -0.011 0.000 0.780 88 S HN 1.536 nan 8.310 nan 0.000 0.514 89 G N 2.377 111.162 108.800 -0.026 0.000 2.148 89 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.254 89 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.254 89 G C 0.094 174.962 174.900 -0.053 0.000 0.981 89 G CA 0.096 45.171 45.100 -0.042 0.000 0.670 89 G HN 0.528 nan 8.290 nan 0.000 0.528 90 R N 0.035 120.516 120.500 -0.033 0.000 2.308 90 R HA 0.545 4.884 4.340 -0.000 0.000 0.305 90 R C 0.311 176.624 176.300 0.021 0.000 1.053 90 R CA -0.934 55.141 56.100 -0.042 0.000 0.957 90 R CB 0.309 30.598 30.300 -0.017 0.000 1.022 90 R HN 0.088 nan 8.270 nan 0.000 0.461 91 L N 4.849 126.071 121.223 -0.001 0.000 2.490 91 L HA 0.113 4.452 4.340 -0.000 0.000 0.274 91 L C -0.079 177.018 176.870 0.378 0.000 1.201 91 L CA 1.295 56.211 54.840 0.126 0.000 0.869 91 L CB 0.576 42.708 42.059 0.120 0.000 1.123 91 L HN 0.701 nan 8.230 nan 0.000 0.484 92 M N 6.380 126.164 119.600 0.307 0.000 2.464 92 M HA 0.460 4.940 4.480 -0.000 0.000 0.308 92 M C -2.388 174.078 176.300 0.278 0.000 1.127 92 M CA -1.723 53.782 55.300 0.340 0.000 0.913 92 M CB 2.394 35.109 32.600 0.191 0.000 1.689 92 M HN 0.359 nan 8.290 nan 0.000 0.445 93 P HA 0.025 nan 4.420 nan 0.000 0.274 93 P C -0.970 176.460 177.300 0.217 0.000 1.246 93 P CA -0.207 63.062 63.100 0.281 0.000 0.795 93 P CB 0.512 32.284 31.700 0.120 0.000 1.006 94 D N 1.823 122.395 120.400 0.286 0.000 2.412 94 D HA -0.008 4.632 4.640 -0.000 0.000 0.257 94 D C -1.106 175.369 176.300 0.291 0.000 1.217 94 D CA -1.339 52.839 54.000 0.297 0.000 0.897 94 D CB 0.629 41.647 40.800 0.363 0.000 1.132 94 D HN 0.176 nan 8.370 nan 0.000 0.493 95 P HA -0.119 nan 4.420 nan 0.000 0.220 95 P C 0.885 178.237 177.300 0.087 0.000 1.148 95 P CA 0.968 64.139 63.100 0.119 0.000 0.803 95 P CB 0.438 32.181 31.700 0.073 0.000 0.782 96 K N -0.273 120.184 120.400 0.093 0.000 2.228 96 K HA 0.028 4.348 4.320 -0.000 0.000 0.202 96 K C 2.282 178.900 176.600 0.030 0.000 1.051 96 K CA 0.841 57.157 56.287 0.049 0.000 0.960 96 K CB 0.023 32.554 32.500 0.050 0.000 0.743 96 K HN 0.106 nan 8.250 nan 0.000 0.458 97 R N -0.823 119.727 120.500 0.082 0.000 2.254 97 R HA 0.135 4.475 4.340 -0.000 0.000 0.193 97 R C 0.061 176.183 176.300 -0.296 0.000 0.929 97 R CA 0.284 56.346 56.100 -0.063 0.000 1.038 97 R CB 0.520 30.831 30.300 0.019 0.000 1.009 97 R HN 0.009 nan 8.270 nan 0.000 0.512 98 F N 1.319 121.317 119.950 0.080 0.000 2.542 98 F HA 0.308 4.835 4.527 -0.001 0.000 0.323 98 F C -1.683 174.112 175.800 -0.009 0.000 1.411 98 F CA -2.059 55.980 58.000 0.065 0.000 1.124 98 F CB 1.505 40.566 39.000 0.101 0.000 1.331 98 F HN -0.152 nan 8.300 nan 0.000 0.560 99 P HA -0.168 nan 4.420 nan 0.000 0.222 99 P C 0.875 178.029 177.300 -0.244 0.000 1.147 99 P CA 1.699 64.723 63.100 -0.127 0.000 0.790 99 P CB 0.115 31.671 31.700 -0.240 0.000 0.780 100 H N -1.027 117.931 119.070 -0.187 0.000 2.551 100 H HA 0.318 4.874 4.556 -0.000 0.000 0.266 100 H C 1.226 176.482 175.328 -0.120 0.000 0.964 100 H CA 0.841 56.688 56.048 -0.337 0.000 1.180 100 H CB -0.207 28.930 29.762 -1.043 0.000 1.408 100 H HN 0.208 nan 8.280 nan 0.000 0.563 101 G N 0.169 109.011 108.800 0.071 0.000 2.746 101 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.685 101 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.685 101 G C 0.474 175.323 174.900 -0.084 0.000 1.350 101 G CA -0.237 44.843 45.100 -0.032 0.000 0.837 101 G HN 0.099 nan 8.290 nan 0.000 0.564 102 I N 1.035 121.325 120.570 -0.467 0.000 2.286 102 I HA -0.030 4.139 4.170 -0.000 0.000 0.245 102 I C 0.365 176.280 176.117 -0.336 0.000 1.104 102 I CA 1.629 62.604 61.300 -0.541 0.000 1.397 102 I CB -2.316 35.072 38.000 -1.019 0.000 1.072 102 I HN 0.332 nan 8.210 nan 0.000 0.417 103 P HA -0.231 nan 4.420 nan 0.000 0.216 103 P C 2.023 179.328 177.300 0.008 0.000 1.153 103 P CA 1.425 64.474 63.100 -0.085 0.000 0.858 103 P CB -0.254 31.438 31.700 -0.015 0.000 0.789 104 F N 0.096 120.000 119.950 -0.077 0.000 2.091 104 F HA -0.217 4.310 4.527 -0.000 0.000 0.299 104 F C 1.945 177.726 175.800 -0.032 0.000 1.103 104 F CA 1.368 59.349 58.000 -0.031 0.000 1.228 104 F CB -0.901 38.097 39.000 -0.003 0.000 0.984 104 F HN -0.207 nan 8.300 nan 0.000 0.477 105 L N 0.560 121.790 121.223 0.011 0.000 2.072 105 L HA 0.067 4.406 4.340 -0.000 0.000 0.205 105 L C 2.524 179.296 176.870 -0.162 0.000 1.079 105 L CA 1.884 56.681 54.840 -0.072 0.000 0.752 105 L CB -1.411 40.666 42.059 0.030 0.000 0.906 105 L HN 0.179 nan 8.230 nan 0.000 0.436 106 A N -0.663 122.035 122.820 -0.202 0.000 1.908 106 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 106 A C 1.982 179.283 177.584 -0.472 0.000 1.181 106 A CA 2.025 53.838 52.037 -0.373 0.000 0.627 106 A CB -0.839 18.025 19.000 -0.226 0.000 0.818 106 A HN 0.512 nan 8.150 nan 0.000 0.445 107 D N -1.882 118.385 120.400 -0.221 0.000 2.144 107 D HA -0.138 4.502 4.640 -0.000 0.000 0.199 107 D C 1.680 177.880 176.300 -0.167 0.000 0.984 107 D CA 1.459 55.384 54.000 -0.124 0.000 0.834 107 D CB -0.453 40.297 40.800 -0.083 0.000 0.955 107 D HN 0.618 nan 8.370 nan 0.000 0.465 108 Y N 1.380 121.439 120.300 -0.400 0.000 2.114 108 Y HA -0.209 4.341 4.550 -0.001 0.000 0.284 108 Y C 2.295 178.060 175.900 -0.224 0.000 1.143 108 Y CA 1.192 59.066 58.100 -0.376 0.000 1.135 108 Y CB -0.360 37.779 38.460 -0.537 0.000 0.980 108 Y HN -0.222 nan 8.280 nan 0.000 0.499 109 V N 0.234 120.091 119.914 -0.094 0.000 2.343 109 V HA -0.370 3.749 4.120 -0.000 0.000 0.247 109 V C 2.092 178.129 176.094 -0.095 0.000 1.051 109 V CA 2.551 64.789 62.300 -0.103 0.000 1.036 109 V CB -0.799 30.968 31.823 -0.094 0.000 0.654 109 V HN 0.557 nan 8.190 nan 0.000 0.451 110 H N 0.084 119.102 119.070 -0.086 0.000 2.387 110 H HA -0.130 4.425 4.556 -0.001 0.000 0.299 110 H C 2.446 177.704 175.328 -0.117 0.000 1.090 110 H CA 1.351 57.348 56.048 -0.084 0.000 1.332 110 H CB -0.042 29.687 29.762 -0.056 0.000 1.386 110 H HN 0.591 nan 8.280 nan 0.000 0.516 111 S N 0.698 116.364 115.700 -0.056 0.000 2.474 111 S HA -0.067 4.403 4.470 -0.000 0.000 0.235 111 S C 1.626 176.129 174.600 -0.162 0.000 0.997 111 S CA 0.702 58.825 58.200 -0.128 0.000 0.949 111 S CB -0.212 62.867 63.200 -0.202 0.000 0.766 111 S HN 0.355 nan 8.310 nan 0.000 0.517 112 L N 0.726 121.842 121.223 -0.179 0.000 2.628 112 L HA 0.382 4.722 4.340 -0.000 0.000 0.229 112 L C 1.615 178.443 176.870 -0.069 0.000 1.137 112 L CA 0.234 54.984 54.840 -0.150 0.000 0.909 112 L CB -0.283 41.659 42.059 -0.195 0.000 1.137 112 L HN 0.549 nan 8.230 nan 0.000 0.470 113 G N 0.698 109.473 108.800 -0.043 0.000 2.147 113 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.244 113 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.244 113 G C -0.013 174.879 174.900 -0.012 0.000 1.005 113 G CA 0.102 45.188 45.100 -0.024 0.000 0.713 113 G HN 0.245 nan 8.290 nan 0.000 0.515 114 L N -1.311 119.917 121.223 0.008 0.000 2.298 114 L HA 0.780 5.120 4.340 -0.000 0.000 0.268 114 L C 0.532 177.438 176.870 0.059 0.000 1.010 114 L CA -1.202 53.643 54.840 0.009 0.000 0.812 114 L CB 1.515 43.586 42.059 0.020 0.000 1.331 114 L HN -0.003 nan 8.230 nan 0.000 0.450 115 K N 0.835 121.222 120.400 -0.021 0.000 2.318 115 K HA 0.599 4.919 4.320 -0.000 0.000 0.249 115 K C -1.516 175.140 176.600 0.094 0.000 0.942 115 K CA -0.798 55.505 56.287 0.027 0.000 0.808 115 K CB 2.528 34.849 32.500 -0.299 0.000 1.189 115 K HN 0.188 nan 8.250 nan 0.000 0.428 116 L N 1.373 122.669 121.223 0.121 0.000 2.296 116 L HA 0.520 4.859 4.340 -0.000 0.000 0.286 116 L C -0.284 176.662 176.870 0.127 0.000 1.023 116 L CA 0.158 55.039 54.840 0.069 0.000 0.812 116 L CB 1.396 43.404 42.059 -0.086 0.000 1.223 116 L HN 0.725 nan 8.230 nan 0.000 0.421 117 G N 4.912 113.789 108.800 0.128 0.000 2.410 117 G HA2 0.637 4.597 3.960 -0.000 0.000 0.330 117 G HA3 0.637 4.597 3.960 -0.000 0.000 0.330 117 G C -1.194 173.650 174.900 -0.092 0.000 1.142 117 G CA -0.403 44.742 45.100 0.074 0.000 0.902 117 G HN 0.722 nan 8.290 nan 0.000 0.491 118 I N -0.676 119.790 120.570 -0.172 0.000 3.343 118 I HA 0.719 4.889 4.170 -0.000 0.000 0.315 118 I C -1.797 174.231 176.117 -0.150 0.000 1.153 118 I CA -1.512 59.584 61.300 -0.339 0.000 0.952 118 I CB 2.664 40.291 38.000 -0.623 0.000 1.287 118 I HN 0.540 nan 8.210 nan 0.000 0.472 119 Y N 3.019 123.213 120.300 -0.177 0.000 2.442 119 Y HA 0.817 5.367 4.550 -0.001 0.000 0.344 119 Y C -0.992 175.094 175.900 0.309 0.000 0.976 119 Y CA -0.359 57.804 58.100 0.105 0.000 1.040 119 Y CB 1.682 40.269 38.460 0.211 0.000 1.228 119 Y HN 0.665 nan 8.280 nan 0.000 0.451 120 A N 4.052 126.680 122.820 -0.321 0.000 2.564 120 A HA 0.569 4.889 4.320 -0.000 0.000 0.288 120 A C -2.050 175.243 177.584 -0.486 0.000 1.164 120 A CA -0.712 51.242 52.037 -0.139 0.000 0.712 120 A CB 1.862 20.976 19.000 0.189 0.000 1.303 120 A HN 0.693 nan 8.150 nan 0.000 0.418 121 D N 0.760 121.040 120.400 -0.201 0.000 2.696 121 D HA 0.408 5.048 4.640 -0.000 0.000 0.251 121 D C -1.170 175.049 176.300 -0.135 0.000 1.188 121 D CA -0.433 53.463 54.000 -0.173 0.000 0.876 121 D CB 1.567 42.364 40.800 -0.005 0.000 1.334 121 D HN 0.426 nan 8.370 nan 0.000 0.540 122 M N 3.910 123.385 119.600 -0.209 0.000 2.685 122 M HA 0.391 4.871 4.480 -0.000 0.000 0.316 122 M C -0.037 176.166 176.300 -0.163 0.000 1.523 122 M CA 0.366 55.513 55.300 -0.256 0.000 1.472 122 M CB -0.612 31.695 32.600 -0.488 0.000 1.525 122 M HN 0.552 nan 8.290 nan 0.000 0.471 123 G N 3.218 111.948 108.800 -0.117 0.000 2.359 123 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.293 123 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.293 123 G C -0.145 174.694 174.900 -0.101 0.000 1.300 123 G CA -0.800 44.264 45.100 -0.059 0.000 0.888 123 G HN 0.404 nan 8.290 nan 0.000 0.541 124 N N -0.877 117.743 118.700 -0.134 0.000 2.166 124 N HA 0.094 4.834 4.740 -0.000 0.000 0.186 124 N C 0.227 175.214 175.510 -0.873 0.000 1.019 124 N CA 1.361 54.100 53.050 -0.518 0.000 0.856 124 N CB -0.280 37.850 38.487 -0.595 0.000 0.993 124 N HN 0.373 nan 8.380 nan 0.000 0.426 125 F N -1.262 118.677 119.950 -0.019 0.000 2.626 125 F HA 0.261 4.788 4.527 -0.001 0.000 0.311 125 F C 0.647 176.576 175.800 0.215 0.000 1.088 125 F CA -1.375 56.607 58.000 -0.030 0.000 0.949 125 F CB 1.019 39.794 39.000 -0.375 0.000 1.322 125 F HN -0.300 nan 8.300 nan 0.000 0.461 126 T N -2.674 112.143 114.554 0.438 0.000 2.748 126 T HA 0.062 4.412 4.350 -0.000 0.000 0.304 126 T C 1.046 176.081 174.700 0.558 0.000 1.041 126 T CA -0.532 61.847 62.100 0.464 0.000 1.033 126 T CB 0.717 69.901 68.868 0.527 0.000 0.995 126 T HN 0.759 nan 8.240 nan 0.000 0.536 127 c N 0.656 119.522 118.600 0.442 0.000 2.411 127 c HA -0.012 4.558 4.570 -0.000 0.000 0.279 127 c C 2.589 176.928 174.090 0.416 0.000 1.288 127 c CA 0.207 56.762 56.329 0.378 0.000 1.764 127 c CB -1.267 41.361 42.510 0.196 0.000 1.974 127 c HN 0.749 nan 8.230 nan 0.000 0.498 128 M N -0.024 119.806 119.600 0.383 0.000 2.494 128 M HA 0.165 4.645 4.480 -0.000 0.000 0.232 128 M C 1.699 178.202 176.300 0.340 0.000 1.137 128 M CA 0.960 56.497 55.300 0.396 0.000 1.012 128 M CB -1.044 31.829 32.600 0.455 0.000 1.567 128 M HN 0.580 nan 8.290 nan 0.000 0.486 129 G N 0.048 109.017 108.800 0.282 0.000 2.159 129 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.227 129 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.227 129 G C -0.164 174.702 174.900 -0.058 0.000 0.986 129 G CA -0.381 44.675 45.100 -0.073 0.000 0.651 129 G HN 0.444 nan 8.290 nan 0.000 0.523 130 Y N 0.615 120.987 120.300 0.119 0.000 2.298 130 Y HA 0.456 5.006 4.550 -0.000 0.000 0.329 130 Y C -1.579 174.415 175.900 0.157 0.000 1.293 130 Y CA -1.938 56.218 58.100 0.094 0.000 1.388 130 Y CB 0.525 38.995 38.460 0.018 0.000 1.309 130 Y HN -0.045 nan 8.280 nan 0.000 0.544 131 P HA -0.048 nan 4.420 nan 0.000 0.260 131 P C -0.145 177.180 177.300 0.041 0.000 1.172 131 P CA 0.397 63.547 63.100 0.083 0.000 0.760 131 P CB 0.309 32.017 31.700 0.013 0.000 0.773 132 G N 2.109 110.866 108.800 -0.071 0.000 2.451 132 G HA2 0.373 4.333 3.960 -0.000 0.000 0.303 132 G HA3 0.373 4.333 3.960 -0.000 0.000 0.303 132 G C -0.543 174.299 174.900 -0.096 0.000 1.166 132 G CA -0.397 44.663 45.100 -0.068 0.000 0.884 132 G HN 0.293 nan 8.290 nan 0.000 0.514 133 T N 1.693 116.203 114.554 -0.074 0.000 3.162 133 T HA 0.364 4.714 4.350 -0.000 0.000 0.316 133 T C 1.018 175.637 174.700 -0.134 0.000 1.182 133 T CA -0.263 61.780 62.100 -0.095 0.000 1.015 133 T CB -0.323 68.509 68.868 -0.059 0.000 1.089 133 T HN 0.773 nan 8.240 nan 0.000 0.646 134 T N 0.943 115.409 114.554 -0.147 0.000 2.766 134 T HA 0.316 4.666 4.350 -0.000 0.000 0.295 134 T C 1.793 176.410 174.700 -0.139 0.000 1.024 134 T CA -0.874 61.137 62.100 -0.148 0.000 1.018 134 T CB 0.612 69.388 68.868 -0.153 0.000 1.002 134 T HN 0.305 nan 8.240 nan 0.000 0.532 135 L N 0.886 122.031 121.223 -0.130 0.000 2.051 135 L HA -0.148 4.192 4.340 -0.000 0.000 0.214 135 L C 2.655 179.458 176.870 -0.113 0.000 1.076 135 L CA 2.045 56.811 54.840 -0.123 0.000 0.758 135 L CB -0.691 41.305 42.059 -0.106 0.000 0.890 135 L HN 0.866 nan 8.230 nan 0.000 0.433 136 D N -1.002 119.335 120.400 -0.105 0.000 2.363 136 D HA -0.141 4.499 4.640 -0.000 0.000 0.226 136 D C 1.429 177.664 176.300 -0.109 0.000 1.020 136 D CA 0.630 54.572 54.000 -0.098 0.000 0.892 136 D CB 0.039 40.788 40.800 -0.086 0.000 0.900 136 D HN 0.251 nan 8.370 nan 0.000 0.531 137 K N 0.294 120.620 120.400 -0.124 0.000 2.373 137 K HA 0.152 4.472 4.320 -0.000 0.000 0.200 137 K C 2.047 178.551 176.600 -0.160 0.000 1.054 137 K CA -0.088 56.115 56.287 -0.139 0.000 1.065 137 K CB 0.606 33.023 32.500 -0.138 0.000 0.886 137 K HN 0.043 nan 8.250 nan 0.000 0.546 138 V N 1.146 120.970 119.914 -0.149 0.000 2.252 138 V HA -0.251 3.869 4.120 -0.000 0.000 0.249 138 V C 2.324 178.316 176.094 -0.170 0.000 1.056 138 V CA 1.771 63.977 62.300 -0.156 0.000 1.022 138 V CB -0.437 31.297 31.823 -0.149 0.000 0.641 138 V HN -0.051 nan 8.190 nan 0.000 0.445 139 V N -0.525 119.298 119.914 -0.152 0.000 2.295 139 V HA -0.343 3.777 4.120 -0.000 0.000 0.246 139 V C 2.394 178.375 176.094 -0.188 0.000 1.049 139 V CA 2.433 64.644 62.300 -0.149 0.000 1.024 139 V CB -0.711 31.043 31.823 -0.116 0.000 0.648 139 V HN 0.623 nan 8.190 nan 0.000 0.447 140 Q N -0.219 119.464 119.800 -0.194 0.000 2.096 140 Q HA -0.270 4.069 4.340 -0.000 0.000 0.204 140 Q C 1.924 177.707 176.000 -0.361 0.000 0.982 140 Q CA 2.223 57.887 55.803 -0.230 0.000 0.850 140 Q CB -0.119 28.505 28.738 -0.190 0.000 0.901 140 Q HN 0.646 nan 8.270 nan 0.000 0.422 141 D N 0.020 120.170 120.400 -0.417 0.000 2.117 141 D HA -0.103 4.537 4.640 -0.000 0.000 0.198 141 D C 1.720 177.442 176.300 -0.964 0.000 0.982 141 D CA 1.300 54.852 54.000 -0.748 0.000 0.828 141 D CB -0.344 40.123 40.800 -0.554 0.000 0.967 141 D HN 0.403 nan 8.370 nan 0.000 0.464 142 A N 0.805 123.354 122.820 -0.453 0.000 1.908 142 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 142 A C 2.120 179.558 177.584 -0.243 0.000 1.181 142 A CA 1.617 53.517 52.037 -0.228 0.000 0.627 142 A CB -0.679 18.230 19.000 -0.151 0.000 0.818 142 A HN 0.224 nan 8.150 nan 0.000 0.445 143 Q N -1.042 118.592 119.800 -0.277 0.000 2.084 143 Q HA -0.127 4.213 4.340 -0.000 0.000 0.202 143 Q C 2.237 178.046 176.000 -0.317 0.000 0.978 143 Q CA 1.906 57.572 55.803 -0.228 0.000 0.844 143 Q CB -0.429 28.194 28.738 -0.191 0.000 0.898 143 Q HN 0.683 nan 8.270 nan 0.000 0.426 144 T N 0.884 115.117 114.554 -0.535 0.000 2.684 144 T HA -0.151 4.198 4.350 -0.000 0.000 0.267 144 T C 1.402 175.580 174.700 -0.870 0.000 1.036 144 T CA 1.341 62.946 62.100 -0.826 0.000 1.148 144 T CB -0.310 67.919 68.868 -1.066 0.000 0.863 144 T HN 0.153 nan 8.240 nan 0.000 0.436 145 F N 1.775 121.414 119.950 -0.519 0.000 2.134 145 F HA 0.081 4.607 4.527 -0.000 0.000 0.299 145 F C 2.687 178.433 175.800 -0.091 0.000 1.097 145 F CA 0.173 58.012 58.000 -0.268 0.000 1.264 145 F CB -1.468 37.450 39.000 -0.137 0.000 1.001 145 F HN 0.153 nan 8.300 nan 0.000 0.479 146 A N -0.098 122.759 122.820 0.063 0.000 1.902 146 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 146 A C 2.162 179.790 177.584 0.074 0.000 1.181 146 A CA 1.724 53.800 52.037 0.064 0.000 0.623 146 A CB -0.846 18.162 19.000 0.013 0.000 0.818 146 A HN 0.407 nan 8.150 nan 0.000 0.443 147 E N -1.215 118.989 120.200 0.006 0.000 2.110 147 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 147 E C 1.620 178.373 176.600 0.255 0.000 0.988 147 E CA 1.240 57.683 56.400 0.072 0.000 0.804 147 E CB -0.179 29.518 29.700 -0.004 0.000 0.745 147 E HN 0.848 nan 8.360 nan 0.000 0.458 148 W N 0.558 121.911 121.300 0.089 0.000 2.595 148 W HA 0.036 4.695 4.660 -0.001 0.000 0.257 148 W C 0.386 176.958 176.519 0.088 0.000 1.267 148 W CA 0.521 57.918 57.345 0.086 0.000 1.300 148 W CB -0.099 29.417 29.460 0.093 0.000 1.120 148 W HN 0.021 nan 8.180 nan 0.000 0.618 149 K N -1.100 119.489 120.400 0.316 0.000 3.251 149 K HA -0.163 4.156 4.320 -0.000 0.000 0.282 149 K C -0.042 176.734 176.600 0.294 0.000 1.201 149 K CA 0.107 56.560 56.287 0.277 0.000 0.827 149 K CB -2.088 30.594 32.500 0.302 0.000 1.286 149 K HN -0.166 nan 8.250 nan 0.000 0.503 150 V N 1.532 121.595 119.914 0.248 0.000 2.872 150 V HA -0.070 4.050 4.120 -0.000 0.000 0.307 150 V C 1.434 177.640 176.094 0.188 0.000 1.072 150 V CA 0.746 63.151 62.300 0.176 0.000 1.148 150 V CB 0.990 32.886 31.823 0.121 0.000 0.954 150 V HN 0.260 nan 8.190 nan 0.000 0.490 151 D N 2.532 123.055 120.400 0.205 0.000 2.449 151 D HA 0.226 4.866 4.640 -0.000 0.000 0.210 151 D C 0.203 176.669 176.300 0.276 0.000 1.094 151 D CA 0.401 54.552 54.000 0.252 0.000 0.846 151 D CB 1.151 42.130 40.800 0.298 0.000 1.003 151 D HN 0.480 nan 8.370 nan 0.000 0.504 152 M N 1.170 120.888 119.600 0.197 0.000 2.413 152 M HA 0.349 4.829 4.480 -0.000 0.000 0.287 152 M C -2.411 173.914 176.300 0.041 0.000 1.186 152 M CA -0.818 54.560 55.300 0.130 0.000 0.927 152 M CB 2.868 35.510 32.600 0.069 0.000 1.715 152 M HN -0.157 nan 8.290 nan 0.000 0.478 153 L N 4.076 125.345 121.223 0.077 0.000 2.381 153 L HA 0.610 4.950 4.340 -0.000 0.000 0.274 153 L C -1.401 175.566 176.870 0.161 0.000 0.988 153 L CA -0.143 54.719 54.840 0.036 0.000 0.824 153 L CB 1.756 43.824 42.059 0.015 0.000 1.263 153 L HN 0.757 nan 8.230 nan 0.000 0.410 154 K N 4.931 125.383 120.400 0.086 0.000 2.263 154 K HA 0.461 4.781 4.320 -0.000 0.000 0.272 154 K C -1.433 175.172 176.600 0.008 0.000 1.033 154 K CA -0.668 55.682 56.287 0.106 0.000 0.884 154 K CB 1.005 33.598 32.500 0.155 0.000 1.107 154 K HN 0.645 nan 8.250 nan 0.000 0.460 155 L N 5.233 126.513 121.223 0.095 0.000 2.283 155 L HA 0.280 4.620 4.340 -0.000 0.000 0.281 155 L C -0.416 176.471 176.870 0.030 0.000 1.033 155 L CA -0.201 54.647 54.840 0.014 0.000 0.848 155 L CB 0.662 42.810 42.059 0.148 0.000 1.226 155 L HN 0.698 nan 8.230 nan 0.000 0.429 156 D N 2.620 122.915 120.400 -0.175 0.000 2.384 156 D HA 0.360 5.000 4.640 -0.000 0.000 0.244 156 D C 0.655 176.903 176.300 -0.088 0.000 1.251 156 D CA 0.432 54.415 54.000 -0.027 0.000 0.961 156 D CB 1.779 42.580 40.800 0.003 0.000 1.116 156 D HN 0.638 nan 8.370 nan 0.000 0.484 157 G N -0.206 108.376 108.800 -0.362 0.000 3.969 157 G HA2 0.167 4.126 3.960 -0.000 0.000 0.291 157 G HA3 0.167 4.126 3.960 -0.000 0.000 0.291 157 G C 0.288 174.617 174.900 -0.953 0.000 1.016 157 G CA -0.129 44.529 45.100 -0.737 0.000 0.819 157 G HN 0.479 nan 8.290 nan 0.000 0.493 158 c N -0.066 118.225 118.600 -0.515 0.000 2.656 158 c HA 0.403 4.973 4.570 -0.000 0.000 0.391 158 c C 1.007 175.052 174.090 -0.076 0.000 1.300 158 c CA 0.238 56.388 56.329 -0.299 0.000 2.302 158 c CB -0.940 41.491 42.510 -0.132 0.000 2.655 158 c HN 0.674 nan 8.230 nan 0.000 0.656 159 F N 1.330 121.299 119.950 0.031 0.000 3.048 159 F HA -0.200 4.327 4.527 -0.000 0.000 0.269 159 F C 0.909 176.706 175.800 -0.004 0.000 0.960 159 F CA 0.765 58.804 58.000 0.066 0.000 0.909 159 F CB -1.981 37.129 39.000 0.182 0.000 0.837 159 F HN 0.709 nan 8.300 nan 0.000 0.768 160 S N -2.203 113.531 115.700 0.056 0.000 2.661 160 S HA 0.861 5.330 4.470 -0.000 0.000 0.285 160 S C -0.119 174.489 174.600 0.013 0.000 1.138 160 S CA -0.394 57.813 58.200 0.010 0.000 0.855 160 S CB 2.361 65.528 63.200 -0.055 0.000 1.136 160 S HN 0.349 nan 8.310 nan 0.000 0.484 161 T N -1.812 112.747 114.554 0.009 0.000 2.902 161 T HA 0.550 4.900 4.350 -0.000 0.000 0.280 161 T C -2.175 172.542 174.700 0.028 0.000 0.992 161 T CA -1.865 60.250 62.100 0.024 0.000 1.015 161 T CB 0.597 69.477 68.868 0.020 0.000 1.044 161 T HN 0.289 nan 8.240 nan 0.000 0.520 162 P HA -0.168 nan 4.420 nan 0.000 0.216 162 P C 1.656 179.003 177.300 0.077 0.000 1.153 162 P CA 1.152 64.316 63.100 0.108 0.000 0.858 162 P CB 0.062 31.829 31.700 0.111 0.000 0.789 163 E N 0.251 120.474 120.200 0.039 0.000 2.106 163 E HA -0.187 4.162 4.350 -0.000 0.000 0.192 163 E C 1.763 178.340 176.600 -0.039 0.000 0.984 163 E CA 1.183 57.591 56.400 0.013 0.000 0.806 163 E CB -0.991 28.716 29.700 0.011 0.000 0.750 163 E HN 0.386 nan 8.360 nan 0.000 0.458 164 E N 0.912 121.081 120.200 -0.052 0.000 2.110 164 E HA -0.093 4.256 4.350 -0.000 0.000 0.193 164 E C 2.300 178.801 176.600 -0.165 0.000 0.988 164 E CA 0.785 57.129 56.400 -0.094 0.000 0.804 164 E CB -0.035 29.618 29.700 -0.078 0.000 0.745 164 E HN 0.215 nan 8.360 nan 0.000 0.458 165 R N 0.275 120.663 120.500 -0.187 0.000 2.090 165 R HA -0.026 4.314 4.340 -0.000 0.000 0.228 165 R C 2.361 178.234 176.300 -0.712 0.000 1.110 165 R CA 0.953 56.834 56.100 -0.366 0.000 0.973 165 R CB -0.218 29.865 30.300 -0.362 0.000 0.869 165 R HN 0.084 nan 8.270 nan 0.000 0.440 166 A N 1.159 123.724 122.820 -0.425 0.000 1.933 166 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 166 A C 1.981 179.437 177.584 -0.213 0.000 1.175 166 A CA 1.284 53.158 52.037 -0.270 0.000 0.628 166 A CB -0.253 18.807 19.000 0.101 0.000 0.814 166 A HN 0.332 nan 8.150 nan 0.000 0.444 167 Q N -1.111 118.589 119.800 -0.167 0.000 2.163 167 Q HA 0.024 4.364 4.340 -0.000 0.000 0.198 167 Q C 2.247 178.155 176.000 -0.153 0.000 0.954 167 Q CA 0.848 56.579 55.803 -0.119 0.000 0.851 167 Q CB -0.301 28.384 28.738 -0.089 0.000 0.928 167 Q HN 0.644 nan 8.270 nan 0.000 0.459 168 G N -0.146 108.520 108.800 -0.223 0.000 2.402 168 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.216 168 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.216 168 G C 0.916 175.659 174.900 -0.261 0.000 1.162 168 G CA 0.563 45.508 45.100 -0.258 0.000 0.777 168 G HN 0.251 nan 8.290 nan 0.000 0.539 169 Y N 1.577 121.708 120.300 -0.281 0.000 2.163 169 Y HA -0.001 4.549 4.550 -0.000 0.000 0.288 169 Y C 0.471 176.438 175.900 0.112 0.000 1.136 169 Y CA 1.575 59.642 58.100 -0.054 0.000 1.147 169 Y CB -1.007 37.333 38.460 -0.200 0.000 0.987 169 Y HN 0.251 nan 8.280 nan 0.000 0.509 170 P HA -0.181 nan 4.420 nan 0.000 0.217 170 P C 1.278 178.616 177.300 0.062 0.000 1.150 170 P CA 1.828 65.015 63.100 0.144 0.000 0.832 170 P CB -0.021 31.737 31.700 0.096 0.000 0.787 171 K N -0.833 119.563 120.400 -0.007 0.000 2.063 171 K HA -0.183 4.137 4.320 -0.000 0.000 0.208 171 K C 2.039 178.589 176.600 -0.083 0.000 1.048 171 K CA 1.604 57.860 56.287 -0.052 0.000 0.928 171 K CB -0.436 32.013 32.500 -0.085 0.000 0.713 171 K HN -0.049 nan 8.250 nan 0.000 0.442 172 M N 0.656 120.194 119.600 -0.104 0.000 2.132 172 M HA -0.030 4.450 4.480 -0.000 0.000 0.263 172 M C 1.871 177.966 176.300 -0.343 0.000 1.065 172 M CA 1.739 56.904 55.300 -0.226 0.000 1.122 172 M CB -0.414 32.033 32.600 -0.255 0.000 1.365 172 M HN 0.183 nan 8.290 nan 0.000 0.411 173 A N -0.039 122.655 122.820 -0.210 0.000 1.883 173 A HA -0.055 4.265 4.320 -0.000 0.000 0.217 173 A C 2.399 179.937 177.584 -0.078 0.000 1.186 173 A CA 2.473 54.433 52.037 -0.128 0.000 0.624 173 A CB -1.561 17.571 19.000 0.220 0.000 0.822 173 A HN 0.656 nan 8.150 nan 0.000 0.444 174 A N -0.360 122.437 122.820 -0.037 0.000 1.902 174 A HA 0.172 4.492 4.320 -0.000 0.000 0.217 174 A C 2.529 180.076 177.584 -0.061 0.000 1.181 174 A CA 2.176 54.195 52.037 -0.031 0.000 0.623 174 A CB -1.063 17.927 19.000 -0.017 0.000 0.818 174 A HN 1.114 nan 8.150 nan 0.000 0.443 175 A N -0.211 122.551 122.820 -0.095 0.000 1.902 175 A HA -0.048 4.272 4.320 -0.000 0.000 0.217 175 A C 2.178 179.698 177.584 -0.108 0.000 1.181 175 A CA 1.525 53.499 52.037 -0.106 0.000 0.623 175 A CB -0.630 18.292 19.000 -0.129 0.000 0.818 175 A HN 0.476 nan 8.150 nan 0.000 0.443 176 L N -0.224 120.913 121.223 -0.144 0.000 2.046 176 L HA -0.214 4.125 4.340 -0.000 0.000 0.208 176 L C 2.639 179.473 176.870 -0.060 0.000 1.077 176 L CA 1.526 56.297 54.840 -0.115 0.000 0.747 176 L CB -0.711 41.234 42.059 -0.190 0.000 0.896 176 L HN 0.558 nan 8.230 nan 0.000 0.432 177 N N 0.685 119.355 118.700 -0.051 0.000 2.061 177 N HA -0.229 4.511 4.740 -0.000 0.000 0.193 177 N C 1.820 177.321 175.510 -0.016 0.000 1.030 177 N CA 1.768 54.809 53.050 -0.015 0.000 0.856 177 N CB 0.071 38.557 38.487 -0.002 0.000 1.023 177 N HN 0.331 nan 8.380 nan 0.000 0.424 178 A N 0.255 123.058 122.820 -0.029 0.000 2.019 178 A HA -0.138 4.181 4.320 -0.000 0.000 0.219 178 A C 2.237 179.805 177.584 -0.027 0.000 1.164 178 A CA 2.192 54.212 52.037 -0.028 0.000 0.644 178 A CB -1.123 17.855 19.000 -0.038 0.000 0.805 178 A HN 0.667 nan 8.150 nan 0.000 0.449 179 T N -3.891 110.644 114.554 -0.031 0.000 2.929 179 T HA 0.231 4.581 4.350 -0.000 0.000 0.271 179 T C 1.704 176.399 174.700 -0.008 0.000 1.085 179 T CA 1.422 63.507 62.100 -0.025 0.000 1.125 179 T CB -0.530 68.322 68.868 -0.027 0.000 0.874 179 T HN 1.738 nan 8.240 nan 0.000 0.494 180 G N 1.378 110.178 108.800 -0.001 0.000 2.205 180 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.261 180 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.261 180 G C 0.185 175.096 174.900 0.018 0.000 0.980 180 G CA 0.241 45.346 45.100 0.009 0.000 0.632 180 G HN 0.885 nan 8.290 nan 0.000 0.533 181 R N 1.292 121.805 120.500 0.023 0.000 2.265 181 R HA 0.526 4.865 4.340 -0.000 0.000 0.319 181 R C -2.513 173.815 176.300 0.048 0.000 1.006 181 R CA -1.885 54.238 56.100 0.038 0.000 0.880 181 R CB 0.932 31.262 30.300 0.050 0.000 1.077 181 R HN 0.034 nan 8.270 nan 0.000 0.454 182 P HA 0.108 nan 4.420 nan 0.000 0.270 182 P C -0.929 176.433 177.300 0.102 0.000 1.242 182 P CA 0.290 63.436 63.100 0.077 0.000 0.768 182 P CB 0.417 32.163 31.700 0.077 0.000 0.820 183 I N 2.406 123.040 120.570 0.106 0.000 2.468 183 I HA 0.393 4.562 4.170 -0.000 0.000 0.284 183 I C 0.314 176.526 176.117 0.159 0.000 1.038 183 I CA -1.132 60.244 61.300 0.127 0.000 1.083 183 I CB 1.869 39.921 38.000 0.086 0.000 1.223 183 I HN 0.273 nan 8.210 nan 0.000 0.443 184 A N 6.228 129.163 122.820 0.192 0.000 2.540 184 A HA 0.243 4.563 4.320 -0.000 0.000 0.239 184 A C -0.821 176.923 177.584 0.265 0.000 1.061 184 A CA 0.544 52.698 52.037 0.195 0.000 0.758 184 A CB 0.013 19.073 19.000 0.099 0.000 0.991 184 A HN 0.516 nan 8.150 nan 0.000 0.502 185 F N 3.127 123.138 119.950 0.101 0.000 2.403 185 F HA 0.504 5.031 4.527 -0.000 0.000 0.355 185 F C 0.282 176.178 175.800 0.160 0.000 1.119 185 F CA -1.071 57.004 58.000 0.126 0.000 1.007 185 F CB 1.533 40.624 39.000 0.153 0.000 1.194 185 F HN 0.417 nan 8.300 nan 0.000 0.443 186 S N 6.249 122.012 115.700 0.106 0.000 2.448 186 S HA 0.560 5.030 4.470 -0.000 0.000 0.320 186 S C -0.942 173.604 174.600 -0.090 0.000 1.071 186 S CA -0.338 57.864 58.200 0.002 0.000 1.113 186 S CB -0.265 62.974 63.200 0.065 0.000 0.972 186 S HN 0.658 nan 8.310 nan 0.000 0.465 187 c N 4.408 122.958 118.600 -0.083 0.000 2.264 187 c HA 0.430 5.000 4.570 -0.000 0.000 0.324 187 c C 1.590 175.773 174.090 0.155 0.000 1.267 187 c CA -0.735 55.597 56.329 0.004 0.000 1.618 187 c CB 0.456 42.892 42.510 -0.123 0.000 2.278 187 c HN 0.943 nan 8.230 nan 0.000 0.499 188 S N 1.196 117.043 115.700 0.245 0.000 2.603 188 S HA -0.074 4.396 4.470 -0.000 0.000 0.220 188 S C 1.567 176.338 174.600 0.285 0.000 0.967 188 S CA -0.127 58.247 58.200 0.290 0.000 0.920 188 S CB -0.151 63.288 63.200 0.398 0.000 0.773 188 S HN 0.940 nan 8.310 nan 0.000 0.529 189 W N 4.347 125.441 121.300 -0.342 0.000 2.290 189 W HA -0.181 4.479 4.660 -0.000 0.000 0.328 189 W C -1.585 174.825 176.519 -0.183 0.000 1.272 189 W CA 1.592 58.611 57.345 -0.544 0.000 1.262 189 W CB -1.891 26.808 29.460 -1.267 0.000 1.151 189 W HN 0.236 nan 8.180 nan 0.000 0.473 190 P HA -0.164 nan 4.420 nan 0.000 0.216 190 P C 1.554 178.815 177.300 -0.066 0.000 1.150 190 P CA 3.161 66.103 63.100 -0.264 0.000 0.837 190 P CB -0.580 30.966 31.700 -0.256 0.000 0.786 191 A N -0.896 121.933 122.820 0.016 0.000 1.986 191 A HA -0.204 4.116 4.320 -0.000 0.000 0.220 191 A C 1.868 179.314 177.584 -0.229 0.000 1.171 191 A CA 1.458 53.420 52.037 -0.123 0.000 0.640 191 A CB -1.847 17.049 19.000 -0.173 0.000 0.811 191 A HN 0.217 nan 8.150 nan 0.000 0.451 192 Y N -0.529 119.776 120.300 0.009 0.000 2.466 192 Y HA 0.114 4.664 4.550 -0.000 0.000 0.272 192 Y C 1.361 177.277 175.900 0.026 0.000 1.169 192 Y CA 0.583 58.700 58.100 0.029 0.000 1.285 192 Y CB 0.557 39.065 38.460 0.081 0.000 1.078 192 Y HN 0.282 nan 8.280 nan 0.000 0.523 193 E N -0.934 119.315 120.200 0.082 0.000 2.603 193 E HA 0.244 4.594 4.350 -0.000 0.000 0.211 193 E C 1.506 178.087 176.600 -0.032 0.000 0.995 193 E CA 0.535 56.944 56.400 0.014 0.000 0.990 193 E CB 0.849 30.498 29.700 -0.085 0.000 1.036 193 E HN 0.414 nan 8.360 nan 0.000 0.475 194 G N 0.903 109.687 108.800 -0.027 0.000 2.199 194 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.254 194 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.254 194 G C 1.054 175.993 174.900 0.065 0.000 0.982 194 G CA 0.331 45.436 45.100 0.008 0.000 0.632 194 G HN 0.717 nan 8.290 nan 0.000 0.529 195 G N -1.205 107.602 108.800 0.011 0.000 2.168 195 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.263 195 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.263 195 G C 0.250 175.272 174.900 0.203 0.000 0.977 195 G CA 1.130 46.311 45.100 0.135 0.000 0.659 195 G HN 1.521 nan 8.290 nan 0.000 0.533 196 L N -0.437 120.798 121.223 0.020 0.000 2.371 196 L HA 0.534 4.874 4.340 -0.000 0.000 0.262 196 L C -2.359 174.438 176.870 -0.122 0.000 1.006 196 L CA -2.724 52.088 54.840 -0.046 0.000 0.818 196 L CB 2.370 44.349 42.059 -0.135 0.000 1.354 196 L HN -0.211 nan 8.230 nan 0.000 0.415 197 P HA 0.058 nan 4.420 nan 0.000 0.268 197 P C -2.063 175.181 177.300 -0.093 0.000 1.208 197 P CA -0.768 62.261 63.100 -0.118 0.000 0.777 197 P CB 0.092 31.744 31.700 -0.080 0.000 0.875 198 P HA 0.069 nan 4.420 nan 0.000 0.235 198 P C 1.040 178.257 177.300 -0.138 0.000 1.177 198 P CA 0.987 64.026 63.100 -0.101 0.000 0.785 198 P CB 0.376 32.035 31.700 -0.069 0.000 0.885 199 R N -0.171 120.244 120.500 -0.141 0.000 2.115 199 R HA 0.051 4.390 4.340 -0.000 0.000 0.230 199 R C 0.571 176.684 176.300 -0.312 0.000 1.111 199 R CA 0.649 56.650 56.100 -0.164 0.000 0.976 199 R CB -0.351 29.882 30.300 -0.111 0.000 0.870 199 R HN 0.075 nan 8.270 nan 0.000 0.445 200 V N 2.152 121.824 119.914 -0.403 0.000 2.370 200 V HA 0.115 4.235 4.120 -0.000 0.000 0.279 200 V C -0.284 175.409 176.094 -0.668 0.000 1.029 200 V CA -0.393 61.491 62.300 -0.695 0.000 0.870 200 V CB 1.445 32.765 31.823 -0.837 0.000 0.984 200 V HN 0.197 nan 8.190 nan 0.000 0.451 201 Q N 3.945 123.321 119.800 -0.706 0.000 2.465 201 Q HA 0.313 4.653 4.340 -0.000 0.000 0.237 201 Q C -0.220 175.418 176.000 -0.603 0.000 1.051 201 Q CA -0.386 55.113 55.803 -0.507 0.000 0.874 201 Q CB 0.800 29.324 28.738 -0.355 0.000 1.207 201 Q HN 0.750 nan 8.270 nan 0.000 0.508 202 Y N 0.556 120.614 120.300 -0.402 0.000 2.352 202 Y HA -0.258 4.291 4.550 -0.000 0.000 0.292 202 Y C 2.559 178.211 175.900 -0.414 0.000 1.136 202 Y CA 1.566 59.374 58.100 -0.487 0.000 1.227 202 Y CB 0.107 38.353 38.460 -0.356 0.000 0.991 202 Y HN 0.619 nan 8.280 nan 0.000 0.545 203 S N -0.359 115.245 115.700 -0.160 0.000 2.368 203 S HA -0.191 4.279 4.470 -0.000 0.000 0.224 203 S C 2.024 176.520 174.600 -0.174 0.000 1.029 203 S CA 1.178 59.288 58.200 -0.151 0.000 0.988 203 S CB -0.938 62.197 63.200 -0.108 0.000 0.838 203 S HN 0.368 nan 8.310 nan 0.000 0.462 204 L N 1.574 122.677 121.223 -0.201 0.000 2.017 204 L HA 0.119 4.458 4.340 -0.000 0.000 0.208 204 L C 2.355 179.122 176.870 -0.172 0.000 1.073 204 L CA 1.568 56.315 54.840 -0.155 0.000 0.745 204 L CB -0.796 41.172 42.059 -0.151 0.000 0.894 204 L HN 0.359 nan 8.230 nan 0.000 0.432 205 L N -0.490 120.508 121.223 -0.374 0.000 2.042 205 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 205 L C 2.661 179.376 176.870 -0.258 0.000 1.076 205 L CA 1.302 55.870 54.840 -0.453 0.000 0.749 205 L CB -0.922 40.506 42.059 -1.052 0.000 0.893 205 L HN 0.411 nan 8.230 nan 0.000 0.432 206 A N -0.515 122.137 122.820 -0.280 0.000 1.972 206 A HA -0.223 4.096 4.320 -0.000 0.000 0.219 206 A C 1.884 179.475 177.584 0.012 0.000 1.169 206 A CA 1.923 53.947 52.037 -0.022 0.000 0.635 206 A CB -0.412 18.415 19.000 -0.289 0.000 0.810 206 A HN 0.370 nan 8.150 nan 0.000 0.446 207 D N -0.269 120.118 120.400 -0.021 0.000 2.194 207 D HA -0.049 4.590 4.640 -0.000 0.000 0.204 207 D C 1.779 178.149 176.300 0.117 0.000 0.964 207 D CA 1.591 55.611 54.000 0.032 0.000 0.846 207 D CB -0.120 40.685 40.800 0.009 0.000 0.962 207 D HN 0.750 nan 8.370 nan 0.000 0.490 208 I N -2.958 117.707 120.570 0.158 0.000 4.070 208 I HA 0.235 4.405 4.170 -0.000 0.000 0.328 208 I C 0.014 176.362 176.117 0.385 0.000 1.298 208 I CA -0.156 61.302 61.300 0.264 0.000 1.173 208 I CB 0.481 38.654 38.000 0.288 0.000 1.051 208 I HN -0.219 nan 8.210 nan 0.000 0.409 209 c N 0.965 119.761 118.600 0.326 0.000 2.712 209 c HA 0.359 4.929 4.570 -0.000 0.000 0.308 209 c C 1.138 175.453 174.090 0.375 0.000 1.201 209 c CA -0.415 56.106 56.329 0.321 0.000 1.554 209 c CB 1.351 44.026 42.510 0.274 0.000 2.117 209 c HN 0.358 nan 8.230 nan 0.000 0.480 210 N N 0.552 119.424 118.700 0.286 0.000 2.416 210 N HA 0.214 4.954 4.740 -0.000 0.000 0.177 210 N C -0.077 175.489 175.510 0.093 0.000 1.036 210 N CA 0.715 53.886 53.050 0.203 0.000 0.901 210 N CB 0.101 38.713 38.487 0.208 0.000 0.976 210 N HN 0.702 nan 8.380 nan 0.000 0.444 211 L N -3.718 117.547 121.223 0.070 0.000 2.775 211 L HA 0.654 4.993 4.340 -0.000 0.000 0.263 211 L C -2.165 174.716 176.870 0.019 0.000 1.017 211 L CA -1.371 53.355 54.840 -0.190 0.000 0.891 211 L CB 0.968 42.992 42.059 -0.058 0.000 1.482 211 L HN 0.005 nan 8.230 nan 0.000 0.410 212 W N -0.243 121.129 121.300 0.120 0.000 3.274 212 W HA 0.696 5.356 4.660 -0.000 0.000 0.327 212 W C -1.199 175.401 176.519 0.134 0.000 1.172 212 W CA -0.958 56.437 57.345 0.083 0.000 1.217 212 W CB 0.962 30.459 29.460 0.061 0.000 1.376 212 W HN 0.417 nan 8.180 nan 0.000 0.507 213 R N 2.949 123.630 120.500 0.303 0.000 2.288 213 R HA 0.107 4.446 4.340 -0.000 0.000 0.330 213 R C 0.157 176.633 176.300 0.294 0.000 1.069 213 R CA -0.054 56.197 56.100 0.251 0.000 0.941 213 R CB 0.454 30.860 30.300 0.177 0.000 0.998 213 R HN 0.762 nan 8.270 nan 0.000 0.452 214 N N 1.418 120.339 118.700 0.367 0.000 2.300 214 N HA -0.098 4.642 4.740 -0.000 0.000 0.179 214 N C 0.052 175.554 175.510 -0.012 0.000 1.016 214 N CA 1.126 54.358 53.050 0.304 0.000 0.876 214 N CB 0.011 38.712 38.487 0.357 0.000 0.979 214 N HN 0.517 nan 8.380 nan 0.000 0.432 215 Y N -0.016 120.143 120.300 -0.235 0.000 3.059 215 Y HA 0.294 4.843 4.550 -0.000 0.000 0.301 215 Y C -1.158 174.574 175.900 -0.280 0.000 1.677 215 Y CA -1.612 56.168 58.100 -0.534 0.000 1.079 215 Y CB 0.550 38.505 38.460 -0.842 0.000 1.534 215 Y HN -0.195 nan 8.280 nan 0.000 0.473 216 D N 1.627 121.397 120.400 -1.049 0.000 2.423 216 D HA 0.094 4.734 4.640 -0.000 0.000 0.238 216 D C -1.016 175.131 176.300 -0.255 0.000 1.142 216 D CA 0.432 54.023 54.000 -0.683 0.000 0.884 216 D CB 0.353 40.649 40.800 -0.840 0.000 1.199 216 D HN 0.320 nan 8.370 nan 0.000 0.438 217 D N 0.847 121.162 120.400 -0.141 0.000 2.531 217 D HA -0.011 4.629 4.640 -0.000 0.000 0.239 217 D C 0.417 176.750 176.300 0.055 0.000 1.144 217 D CA 0.162 54.169 54.000 0.013 0.000 0.869 217 D CB 0.277 41.123 40.800 0.076 0.000 1.160 217 D HN 0.293 nan 8.370 nan 0.000 0.484 218 I N 2.253 122.890 120.570 0.113 0.000 2.634 218 I HA -0.049 4.121 4.170 -0.000 0.000 0.284 218 I C 0.065 176.255 176.117 0.122 0.000 1.124 218 I CA -0.011 61.362 61.300 0.122 0.000 1.417 218 I CB 0.287 38.370 38.000 0.139 0.000 1.396 218 I HN 0.168 nan 8.210 nan 0.000 0.571 219 Q N 4.847 124.718 119.800 0.119 0.000 2.416 219 Q HA 0.246 4.586 4.340 -0.000 0.000 0.279 219 Q C -1.045 175.016 176.000 0.102 0.000 1.101 219 Q CA -0.698 55.173 55.803 0.112 0.000 0.830 219 Q CB 1.227 30.048 28.738 0.138 0.000 1.402 219 Q HN 0.491 nan 8.270 nan 0.000 0.445 220 D N 1.550 122.001 120.400 0.084 0.000 2.600 220 D HA 0.149 4.789 4.640 -0.000 0.000 0.226 220 D C -0.914 175.465 176.300 0.131 0.000 1.119 220 D CA 0.259 54.313 54.000 0.091 0.000 1.051 220 D CB -0.344 40.515 40.800 0.099 0.000 1.106 220 D HN 0.508 nan 8.370 nan 0.000 0.491 221 S N 1.027 116.829 115.700 0.170 0.000 2.552 221 S HA 0.129 4.599 4.470 -0.000 0.000 0.272 221 S C 0.625 175.417 174.600 0.320 0.000 1.150 221 S CA -1.055 57.289 58.200 0.241 0.000 0.849 221 S CB 0.345 63.697 63.200 0.255 0.000 1.113 221 S HN 0.397 nan 8.310 nan 0.000 0.458 222 W N 1.532 122.913 121.300 0.135 0.000 2.358 222 W HA -0.133 4.527 4.660 -0.001 0.000 0.303 222 W C 1.472 178.103 176.519 0.187 0.000 1.208 222 W CA 1.288 58.712 57.345 0.131 0.000 1.274 222 W CB -0.208 29.327 29.460 0.125 0.000 1.138 222 W HN 0.912 nan 8.180 nan 0.000 0.515 223 W N 1.419 122.760 121.300 0.070 0.000 2.321 223 W HA -0.306 4.353 4.660 -0.000 0.000 0.306 223 W C 2.900 179.392 176.519 -0.046 0.000 1.217 223 W CA 3.187 60.513 57.345 -0.032 0.000 1.257 223 W CB -0.871 28.615 29.460 0.043 0.000 1.145 223 W HN -0.193 nan 8.180 nan 0.000 0.509 224 S N -0.416 115.398 115.700 0.190 0.000 2.356 224 S HA -0.217 4.253 4.470 -0.000 0.000 0.223 224 S C 1.835 176.373 174.600 -0.103 0.000 1.032 224 S CA 2.052 60.272 58.200 0.034 0.000 1.005 224 S CB -0.887 62.426 63.200 0.188 0.000 0.867 224 S HN 0.099 nan 8.310 nan 0.000 0.449 225 V N 2.170 122.025 119.914 -0.099 0.000 2.332 225 V HA -0.168 3.951 4.120 -0.000 0.000 0.248 225 V C 2.432 178.360 176.094 -0.277 0.000 1.055 225 V CA 1.930 64.144 62.300 -0.143 0.000 1.038 225 V CB -0.702 30.996 31.823 -0.209 0.000 0.651 225 V HN 0.486 nan 8.190 nan 0.000 0.450 226 L N 0.584 121.476 121.223 -0.551 0.000 2.093 226 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 226 L C 2.730 179.402 176.870 -0.330 0.000 1.085 226 L CA 1.803 56.341 54.840 -0.504 0.000 0.755 226 L CB -0.646 41.045 42.059 -0.613 0.000 0.904 226 L HN 0.578 nan 8.230 nan 0.000 0.435 227 S N -0.075 115.345 115.700 -0.468 0.000 2.406 227 S HA -0.111 4.359 4.470 -0.000 0.000 0.228 227 S C 1.886 176.504 174.600 0.029 0.000 1.020 227 S CA 0.678 58.662 58.200 -0.360 0.000 0.965 227 S CB -0.434 62.297 63.200 -0.782 0.000 0.798 227 S HN 0.338 nan 8.310 nan 0.000 0.488 228 I N 1.091 121.720 120.570 0.098 0.000 2.233 228 I HA -0.089 4.080 4.170 -0.000 0.000 0.243 228 I C 2.539 178.799 176.117 0.239 0.000 1.093 228 I CA 1.015 62.499 61.300 0.306 0.000 1.380 228 I CB -0.393 37.786 38.000 0.298 0.000 1.067 228 I HN 0.260 nan 8.210 nan 0.000 0.413 229 L N 0.666 121.939 121.223 0.085 0.000 2.013 229 L HA -0.295 4.044 4.340 -0.000 0.000 0.212 229 L C 2.375 179.319 176.870 0.124 0.000 1.073 229 L CA 1.976 56.846 54.840 0.051 0.000 0.753 229 L CB -0.661 41.396 42.059 -0.003 0.000 0.890 229 L HN 0.349 nan 8.230 nan 0.000 0.432 230 N N -0.878 117.867 118.700 0.074 0.000 2.104 230 N HA -0.284 4.456 4.740 -0.000 0.000 0.190 230 N C 1.662 177.189 175.510 0.029 0.000 1.024 230 N CA 1.557 54.631 53.050 0.040 0.000 0.853 230 N CB -0.329 38.154 38.487 -0.006 0.000 1.008 230 N HN 0.368 nan 8.380 nan 0.000 0.424 231 W N -0.044 121.170 121.300 -0.142 0.000 2.381 231 W HA -0.015 4.645 4.660 -0.001 0.000 0.301 231 W C 1.640 178.071 176.519 -0.146 0.000 1.205 231 W CA 1.193 58.381 57.345 -0.262 0.000 1.285 231 W CB -0.576 28.390 29.460 -0.823 0.000 1.133 231 W HN 0.047 nan 8.180 nan 0.000 0.521 232 F N -0.422 119.549 119.950 0.036 0.000 2.134 232 F HA -0.258 4.269 4.527 -0.000 0.000 0.299 232 F C 2.240 177.940 175.800 -0.166 0.000 1.097 232 F CA 1.817 59.781 58.000 -0.060 0.000 1.264 232 F CB -0.876 38.114 39.000 -0.017 0.000 1.001 232 F HN -0.323 nan 8.300 nan 0.000 0.479 233 V N -0.415 119.525 119.914 0.043 0.000 2.379 233 V HA -0.236 3.884 4.120 -0.000 0.000 0.245 233 V C 2.016 177.981 176.094 -0.215 0.000 1.044 233 V CA 1.757 64.032 62.300 -0.042 0.000 1.036 233 V CB -0.570 31.267 31.823 0.024 0.000 0.664 233 V HN 0.285 nan 8.190 nan 0.000 0.453 234 E N -0.599 119.391 120.200 -0.349 0.000 2.209 234 E HA -0.200 4.150 4.350 -0.000 0.000 0.196 234 E C 1.401 177.535 176.600 -0.777 0.000 0.993 234 E CA 1.170 57.220 56.400 -0.584 0.000 0.819 234 E CB -0.063 29.172 29.700 -0.775 0.000 0.745 234 E HN 0.704 nan 8.360 nan 0.000 0.477 235 H N -0.439 118.335 119.070 -0.494 0.000 2.581 235 H HA 0.069 4.625 4.556 -0.000 0.000 0.275 235 H C 1.526 176.607 175.328 -0.412 0.000 1.126 235 H CA 0.186 55.903 56.048 -0.551 0.000 1.097 235 H CB 0.406 29.592 29.762 -0.959 0.000 1.626 235 H HN 0.336 nan 8.280 nan 0.000 0.565 236 Q N 0.505 120.173 119.800 -0.220 0.000 2.170 236 Q HA -0.142 4.198 4.340 -0.000 0.000 0.203 236 Q C 0.539 176.464 176.000 -0.125 0.000 0.976 236 Q CA 1.526 57.245 55.803 -0.141 0.000 0.858 236 Q CB 0.053 28.741 28.738 -0.084 0.000 0.907 236 Q HN 0.063 nan 8.270 nan 0.000 0.433 237 D N 1.004 121.327 120.400 -0.129 0.000 2.182 237 D HA -0.113 4.527 4.640 -0.000 0.000 0.201 237 D C 1.846 178.081 176.300 -0.109 0.000 0.986 237 D CA 0.933 54.870 54.000 -0.104 0.000 0.847 237 D CB 0.054 40.796 40.800 -0.096 0.000 0.942 237 D HN 0.335 nan 8.370 nan 0.000 0.467 238 I N 0.099 120.584 120.570 -0.142 0.000 2.339 238 I HA -0.072 4.098 4.170 -0.000 0.000 0.245 238 I C 2.443 178.414 176.117 -0.243 0.000 1.096 238 I CA 0.594 61.795 61.300 -0.166 0.000 1.408 238 I CB -0.880 37.014 38.000 -0.176 0.000 1.092 238 I HN 0.024 nan 8.210 nan 0.000 0.423 239 L N -0.093 120.964 121.223 -0.277 0.000 2.127 239 L HA -0.100 4.240 4.340 -0.000 0.000 0.203 239 L C 2.617 179.405 176.870 -0.135 0.000 1.080 239 L CA 0.744 55.396 54.840 -0.313 0.000 0.768 239 L CB -0.701 41.166 42.059 -0.322 0.000 0.924 239 L HN 0.268 nan 8.230 nan 0.000 0.444 240 Q N 1.011 120.766 119.800 -0.075 0.000 2.077 240 Q HA -0.196 4.144 4.340 -0.000 0.000 0.206 240 Q C -0.495 175.507 176.000 0.003 0.000 0.989 240 Q CA 2.073 57.870 55.803 -0.010 0.000 0.853 240 Q CB -1.119 27.613 28.738 -0.010 0.000 0.907 240 Q HN 0.330 nan 8.270 nan 0.000 0.418 241 P HA -0.070 nan 4.420 nan 0.000 0.225 241 P C 1.362 178.681 177.300 0.032 0.000 1.156 241 P CA 1.249 64.350 63.100 0.000 0.000 0.787 241 P CB -0.207 31.480 31.700 -0.022 0.000 0.802 242 V N -3.699 116.232 119.914 0.028 0.000 3.306 242 V HA 0.272 4.392 4.120 -0.000 0.000 0.264 242 V C 0.966 177.238 176.094 0.296 0.000 1.149 242 V CA 0.384 62.750 62.300 0.110 0.000 1.143 242 V CB -1.541 30.307 31.823 0.042 0.000 0.767 242 V HN -0.031 nan 8.190 nan 0.000 0.476 243 A N 0.131 123.067 122.820 0.193 0.000 2.363 243 A HA 0.804 5.124 4.320 -0.000 0.000 0.270 243 A C 0.461 177.993 177.584 -0.088 0.000 1.121 243 A CA 0.503 52.600 52.037 0.099 0.000 0.800 243 A CB 0.135 19.215 19.000 0.133 0.000 1.052 243 A HN 1.299 nan 8.150 nan 0.000 0.493 244 G N 1.000 109.370 108.800 -0.717 0.000 2.441 244 G HA2 0.543 4.502 3.960 -0.000 0.000 0.294 244 G HA3 0.543 4.502 3.960 -0.000 0.000 0.294 244 G C -3.499 170.342 174.900 -1.766 0.000 1.393 244 G CA -0.907 43.652 45.100 -0.901 0.000 0.796 244 G HN 0.416 nan 8.290 nan 0.000 0.494 245 P HA 0.248 nan 4.420 nan 0.000 0.258 245 P C 1.031 177.903 177.300 -0.712 0.000 1.172 245 P CA 2.276 65.021 63.100 -0.592 0.000 0.762 245 P CB 0.665 32.280 31.700 -0.142 0.000 0.764 246 G N 2.998 111.446 108.800 -0.587 0.000 2.176 246 G HA2 -0.206 3.753 3.960 -0.000 0.000 0.253 246 G HA3 -0.206 3.753 3.960 -0.000 0.000 0.253 246 G C -0.183 174.536 174.900 -0.301 0.000 0.979 246 G CA 0.330 45.274 45.100 -0.260 0.000 0.641 246 G HN 0.912 nan 8.290 nan 0.000 0.530 247 H N -3.483 115.144 119.070 -0.739 0.000 3.059 247 H HA 0.550 5.106 4.556 -0.000 0.000 0.302 247 H C -0.743 174.075 175.328 -0.851 0.000 1.264 247 H CA -1.680 54.087 56.048 -0.468 0.000 1.615 247 H CB -0.487 29.305 29.762 0.050 0.000 1.795 247 H HN 0.329 nan 8.280 nan 0.000 0.556 248 W N 1.637 122.596 121.300 -0.568 0.000 2.570 248 W HA 0.463 5.123 4.660 -0.001 0.000 0.337 248 W C -0.037 175.818 176.519 -1.107 0.000 1.067 248 W CA -0.883 56.095 57.345 -0.612 0.000 1.229 248 W CB 0.982 30.214 29.460 -0.379 0.000 1.355 248 W HN 0.392 nan 8.180 nan 0.000 0.555 249 N N 2.023 120.502 118.700 -0.368 0.000 2.518 249 N HA 0.019 4.759 4.740 -0.000 0.000 0.266 249 N C -1.096 174.331 175.510 -0.137 0.000 1.196 249 N CA 0.243 53.134 53.050 -0.265 0.000 0.947 249 N CB 0.961 39.579 38.487 0.217 0.000 1.098 249 N HN 0.384 nan 8.380 nan 0.000 0.450 250 D N 1.414 121.791 120.400 -0.039 0.000 2.420 250 D HA 0.256 4.896 4.640 -0.000 0.000 0.255 250 D C -2.035 174.313 176.300 0.080 0.000 1.185 250 D CA -1.950 52.037 54.000 -0.022 0.000 0.904 250 D CB 1.364 42.155 40.800 -0.015 0.000 1.102 250 D HN 0.209 nan 8.370 nan 0.000 0.534 251 P HA 0.123 nan 4.420 nan 0.000 0.245 251 P C -0.319 177.020 177.300 0.064 0.000 1.212 251 P CA 0.212 63.074 63.100 -0.397 0.000 0.774 251 P CB 0.344 31.116 31.700 -1.546 0.000 0.999 252 D N -1.837 118.667 120.400 0.173 0.000 8.882 252 D HA -0.096 4.543 4.640 -0.000 0.000 0.336 252 D C -0.256 176.258 176.300 0.356 0.000 2.789 252 D CA -0.091 54.060 54.000 0.253 0.000 2.153 252 D CB -1.029 39.903 40.800 0.221 0.000 1.190 252 D HN -0.124 nan 8.370 nan 0.000 1.095 253 M N 0.652 120.373 119.600 0.203 0.000 2.245 253 M HA 0.211 4.691 4.480 -0.000 0.000 0.330 253 M C 0.293 176.576 176.300 -0.029 0.000 1.098 253 M CA 0.055 55.414 55.300 0.099 0.000 1.172 253 M CB 0.243 32.866 32.600 0.039 0.000 1.467 253 M HN 0.208 nan 8.290 nan 0.000 0.454 254 L N 3.127 124.281 121.223 -0.115 0.000 2.416 254 L HA 0.034 4.374 4.340 -0.000 0.000 0.272 254 L C 0.814 177.564 176.870 -0.200 0.000 1.161 254 L CA -0.055 54.623 54.840 -0.270 0.000 0.845 254 L CB 0.272 42.227 42.059 -0.174 0.000 1.119 254 L HN 0.752 nan 8.230 nan 0.000 0.464 255 L N 3.739 124.826 121.223 -0.228 0.000 2.607 255 L HA 0.207 4.547 4.340 -0.000 0.000 0.228 255 L C 0.546 177.333 176.870 -0.139 0.000 1.123 255 L CA -0.209 54.541 54.840 -0.150 0.000 0.890 255 L CB 0.113 42.107 42.059 -0.108 0.000 1.103 255 L HN 0.520 nan 8.230 nan 0.000 0.468 256 I N 0.895 121.382 120.570 -0.138 0.000 2.741 256 I HA 0.041 4.211 4.170 -0.000 0.000 0.288 256 I C 1.404 177.457 176.117 -0.107 0.000 1.192 256 I CA 1.179 62.418 61.300 -0.102 0.000 1.426 256 I CB 0.321 38.285 38.000 -0.060 0.000 1.367 256 I HN 0.296 nan 8.210 nan 0.000 0.563 257 G N 3.402 112.129 108.800 -0.122 0.000 2.218 257 G HA2 -0.226 3.733 3.960 -0.000 0.000 0.216 257 G HA3 -0.226 3.733 3.960 -0.000 0.000 0.216 257 G C 0.467 175.193 174.900 -0.290 0.000 0.994 257 G CA -0.268 44.741 45.100 -0.153 0.000 0.637 257 G HN 0.526 nan 8.290 nan 0.000 0.505 258 N N -0.502 118.009 118.700 -0.315 0.000 2.718 258 N HA 0.674 5.414 4.740 -0.000 0.000 0.298 258 N C 0.987 176.160 175.510 -0.561 0.000 1.369 258 N CA 0.191 52.921 53.050 -0.535 0.000 0.839 258 N CB -0.265 38.052 38.487 -0.284 0.000 1.108 258 N HN 0.060 nan 8.380 nan 0.000 0.489 259 F N -0.782 119.130 119.950 -0.065 0.000 2.653 259 F HA 0.363 4.890 4.527 -0.000 0.000 0.288 259 F C 2.149 177.933 175.800 -0.027 0.000 1.121 259 F CA -0.008 57.963 58.000 -0.048 0.000 1.384 259 F CB -0.273 38.694 39.000 -0.056 0.000 1.115 259 F HN 0.449 nan 8.300 nan 0.000 0.599 260 G N 0.421 109.314 108.800 0.155 0.000 2.662 260 G HA2 0.172 4.132 3.960 -0.000 0.000 0.212 260 G HA3 0.172 4.132 3.960 -0.000 0.000 0.212 260 G C 0.594 175.550 174.900 0.092 0.000 1.141 260 G CA 0.031 45.207 45.100 0.127 0.000 0.797 260 G HN 0.035 nan 8.290 nan 0.000 0.531 261 L N 2.377 123.625 121.223 0.042 0.000 2.289 261 L HA 0.353 4.693 4.340 -0.000 0.000 0.285 261 L C 0.846 177.672 176.870 -0.072 0.000 1.049 261 L CA -0.671 54.165 54.840 -0.007 0.000 0.804 261 L CB 1.698 43.747 42.059 -0.016 0.000 1.195 261 L HN 0.198 nan 8.230 nan 0.000 0.428 262 S N 2.137 117.756 115.700 -0.135 0.000 2.617 262 S HA 0.080 4.550 4.470 -0.000 0.000 0.259 262 S C 0.944 175.449 174.600 -0.159 0.000 1.301 262 S CA -0.614 57.500 58.200 -0.143 0.000 0.984 262 S CB 0.950 64.045 63.200 -0.174 0.000 0.954 262 S HN 0.568 nan 8.310 nan 0.000 0.572 263 L N 0.847 121.988 121.223 -0.136 0.000 2.013 263 L HA -0.099 4.241 4.340 -0.000 0.000 0.212 263 L C 2.513 179.274 176.870 -0.181 0.000 1.073 263 L CA 2.013 56.770 54.840 -0.140 0.000 0.753 263 L CB -1.272 40.718 42.059 -0.116 0.000 0.890 263 L HN 0.764 nan 8.230 nan 0.000 0.432 264 E N -0.387 119.695 120.200 -0.196 0.000 2.077 264 E HA -0.256 4.093 4.350 -0.000 0.000 0.193 264 E C 2.191 178.632 176.600 -0.265 0.000 0.989 264 E CA 1.565 57.840 56.400 -0.209 0.000 0.800 264 E CB -0.284 29.305 29.700 -0.185 0.000 0.746 264 E HN 0.698 nan 8.360 nan 0.000 0.452 265 Q N 0.304 119.855 119.800 -0.415 0.000 2.119 265 Q HA -0.064 4.276 4.340 -0.000 0.000 0.201 265 Q C 2.345 178.216 176.000 -0.215 0.000 0.972 265 Q CA 1.396 56.831 55.803 -0.614 0.000 0.847 265 Q CB -0.016 28.203 28.738 -0.864 0.000 0.903 265 Q HN 0.073 nan 8.270 nan 0.000 0.433 266 S N 0.549 116.148 115.700 -0.168 0.000 2.356 266 S HA -0.139 4.330 4.470 -0.000 0.000 0.223 266 S C 1.786 176.341 174.600 -0.075 0.000 1.032 266 S CA 1.135 59.272 58.200 -0.105 0.000 1.005 266 S CB -0.150 62.988 63.200 -0.103 0.000 0.867 266 S HN 0.316 nan 8.310 nan 0.000 0.449 267 R N 1.075 121.500 120.500 -0.124 0.000 2.115 267 R HA 0.032 4.372 4.340 -0.000 0.000 0.230 267 R C 2.568 178.905 176.300 0.061 0.000 1.111 267 R CA 1.094 57.121 56.100 -0.122 0.000 0.976 267 R CB -0.466 29.512 30.300 -0.537 0.000 0.870 267 R HN 0.403 nan 8.270 nan 0.000 0.445 268 A N 1.078 123.908 122.820 0.015 0.000 1.858 268 A HA -0.246 4.074 4.320 -0.000 0.000 0.216 268 A C 2.116 179.708 177.584 0.013 0.000 1.190 268 A CA 1.328 53.400 52.037 0.058 0.000 0.617 268 A CB -0.567 18.540 19.000 0.178 0.000 0.827 268 A HN 0.334 nan 8.150 nan 0.000 0.443 269 Q N -1.526 118.282 119.800 0.012 0.000 2.061 269 Q HA -0.248 4.092 4.340 -0.000 0.000 0.204 269 Q C 2.086 178.014 176.000 -0.119 0.000 0.984 269 Q CA 2.068 57.770 55.803 -0.168 0.000 0.846 269 Q CB -0.208 28.291 28.738 -0.399 0.000 0.902 269 Q HN 0.591 nan 8.270 nan 0.000 0.421 270 M N 0.263 119.842 119.600 -0.034 0.000 2.065 270 M HA -0.173 4.307 4.480 -0.000 0.000 0.259 270 M C 1.944 178.307 176.300 0.106 0.000 1.069 270 M CA 2.149 57.484 55.300 0.059 0.000 1.110 270 M CB -0.535 32.153 32.600 0.147 0.000 1.328 270 M HN 0.258 nan 8.290 nan 0.000 0.405 271 A N -0.336 122.555 122.820 0.119 0.000 1.877 271 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 271 A C 2.171 179.756 177.584 0.001 0.000 1.186 271 A CA 1.844 53.921 52.037 0.066 0.000 0.620 271 A CB -1.104 17.969 19.000 0.121 0.000 0.822 271 A HN 0.578 nan 8.150 nan 0.000 0.443 272 L N -2.271 118.929 121.223 -0.039 0.000 2.056 272 L HA -0.167 4.173 4.340 -0.000 0.000 0.207 272 L C 2.683 179.572 176.870 0.032 0.000 1.078 272 L CA 0.941 55.696 54.840 -0.142 0.000 0.749 272 L CB -0.482 41.401 42.059 -0.293 0.000 0.901 272 L HN 0.602 nan 8.230 nan 0.000 0.433 273 W N 0.433 121.612 121.300 -0.202 0.000 2.342 273 W HA -0.220 4.439 4.660 -0.001 0.000 0.297 273 W C 2.524 178.957 176.519 -0.144 0.000 1.213 273 W CA 1.381 58.621 57.345 -0.175 0.000 1.251 273 W CB -0.371 29.011 29.460 -0.130 0.000 1.136 273 W HN 0.187 nan 8.180 nan 0.000 0.526 274 T N 0.655 115.270 114.554 0.102 0.000 2.746 274 T HA -0.202 4.148 4.350 -0.000 0.000 0.267 274 T C 1.829 176.518 174.700 -0.018 0.000 1.039 274 T CA 2.041 64.149 62.100 0.014 0.000 1.142 274 T CB -0.660 68.215 68.868 0.012 0.000 0.866 274 T HN 0.143 nan 8.240 nan 0.000 0.444 275 V N -0.154 119.749 119.914 -0.019 0.000 2.809 275 V HA 0.136 4.255 4.120 -0.000 0.000 0.256 275 V C 1.952 178.038 176.094 -0.013 0.000 1.080 275 V CA 1.280 63.579 62.300 -0.001 0.000 1.102 275 V CB -1.007 30.827 31.823 0.018 0.000 0.705 275 V HN 0.423 nan 8.190 nan 0.000 0.475 276 L N 0.927 122.099 121.223 -0.084 0.000 2.599 276 L HA 0.484 4.823 4.340 -0.000 0.000 0.230 276 L C 1.695 178.507 176.870 -0.096 0.000 1.141 276 L CA 0.457 55.227 54.840 -0.116 0.000 0.877 276 L CB -0.667 41.205 42.059 -0.312 0.000 1.009 276 L HN 0.508 nan 8.230 nan 0.000 0.447 277 A N 0.388 123.156 122.820 -0.088 0.000 2.745 277 A HA -0.177 4.143 4.320 -0.000 0.000 0.296 277 A C 0.798 178.236 177.584 -0.243 0.000 1.500 277 A CA 0.585 52.541 52.037 -0.136 0.000 0.766 277 A CB -1.904 17.117 19.000 0.035 0.000 1.030 277 A HN 0.449 nan 8.150 nan 0.000 0.489 278 A N -0.299 122.367 122.820 -0.256 0.000 2.304 278 A HA 0.675 4.995 4.320 -0.000 0.000 0.271 278 A C -1.750 175.686 177.584 -0.247 0.000 1.091 278 A CA -1.280 50.582 52.037 -0.292 0.000 0.812 278 A CB -0.007 18.715 19.000 -0.464 0.000 1.056 278 A HN 0.383 nan 8.150 nan 0.000 0.489 279 P HA 0.121 nan 4.420 nan 0.000 0.266 279 P C -0.774 176.543 177.300 0.029 0.000 1.195 279 P CA 0.378 63.395 63.100 -0.139 0.000 0.768 279 P CB 0.262 31.917 31.700 -0.074 0.000 0.838 280 L N 3.922 125.157 121.223 0.020 0.000 2.475 280 L HA 0.283 4.623 4.340 -0.000 0.000 0.253 280 L C -0.090 176.912 176.870 0.220 0.000 1.137 280 L CA -0.102 54.820 54.840 0.138 0.000 1.058 280 L CB -0.464 41.643 42.059 0.079 0.000 1.382 280 L HN 0.222 nan 8.230 nan 0.000 0.416 281 L N 2.763 124.089 121.223 0.172 0.000 2.283 281 L HA 0.423 4.762 4.340 -0.000 0.000 0.281 281 L C 0.351 177.263 176.870 0.071 0.000 1.033 281 L CA -0.237 54.692 54.840 0.147 0.000 0.848 281 L CB 1.025 43.142 42.059 0.096 0.000 1.226 281 L HN 0.519 nan 8.230 nan 0.000 0.429 282 M N 1.574 121.213 119.600 0.065 0.000 2.232 282 M HA 0.114 4.594 4.480 -0.000 0.000 0.321 282 M C 0.462 176.605 176.300 -0.263 0.000 1.101 282 M CA 0.598 55.852 55.300 -0.077 0.000 1.181 282 M CB 0.737 33.267 32.600 -0.118 0.000 1.432 282 M HN 0.468 nan 8.290 nan 0.000 0.457 283 S N 0.671 116.196 115.700 -0.291 0.000 2.397 283 S HA 0.382 4.851 4.470 -0.000 0.000 0.190 283 S C -1.000 173.465 174.600 -0.225 0.000 1.100 283 S CA -0.469 57.459 58.200 -0.453 0.000 1.150 283 S CB 0.701 63.704 63.200 -0.328 0.000 1.302 283 S HN 0.851 nan 8.310 nan 0.000 0.417 284 T N 1.493 116.046 114.554 -0.002 0.000 2.802 284 T HA 0.357 4.706 4.350 -0.000 0.000 0.311 284 T C -2.126 172.750 174.700 0.293 0.000 1.405 284 T CA -0.454 61.652 62.100 0.010 0.000 1.016 284 T CB 1.744 70.562 68.868 -0.082 0.000 1.352 284 T HN 0.353 nan 8.240 nan 0.000 0.498 285 D N 2.709 123.181 120.400 0.120 0.000 2.359 285 D HA 0.200 4.839 4.640 -0.000 0.000 0.250 285 D C 1.473 177.829 176.300 0.094 0.000 1.264 285 D CA -0.110 54.044 54.000 0.256 0.000 0.911 285 D CB 0.355 41.275 40.800 0.200 0.000 1.056 285 D HN 0.487 nan 8.370 nan 0.000 0.499 286 L N 3.368 124.605 121.223 0.024 0.000 2.376 286 L HA -0.036 4.304 4.340 -0.000 0.000 0.219 286 L C 2.244 179.123 176.870 0.016 0.000 1.133 286 L CA 0.493 55.295 54.840 -0.062 0.000 0.816 286 L CB -0.084 41.799 42.059 -0.292 0.000 0.933 286 L HN 0.235 nan 8.230 nan 0.000 0.449 287 R N -0.205 120.299 120.500 0.006 0.000 2.148 287 R HA -0.060 4.279 4.340 -0.000 0.000 0.223 287 R C 1.705 178.024 176.300 0.032 0.000 1.088 287 R CA 1.645 57.755 56.100 0.015 0.000 0.985 287 R CB -0.212 30.088 30.300 0.001 0.000 0.880 287 R HN 0.420 nan 8.270 nan 0.000 0.451 288 T N -2.780 111.795 114.554 0.035 0.000 3.091 288 T HA 0.275 4.625 4.350 -0.000 0.000 0.277 288 T C 0.547 175.254 174.700 0.012 0.000 0.996 288 T CA -0.481 61.633 62.100 0.022 0.000 0.897 288 T CB 0.104 68.983 68.868 0.018 0.000 1.109 288 T HN 0.042 nan 8.240 nan 0.000 0.534 289 I N 4.195 124.785 120.570 0.033 0.000 2.710 289 I HA 0.180 4.350 4.170 -0.000 0.000 0.286 289 I C 0.699 176.839 176.117 0.039 0.000 1.181 289 I CA -0.177 61.145 61.300 0.037 0.000 1.430 289 I CB 0.725 38.791 38.000 0.109 0.000 1.367 289 I HN 0.479 nan 8.210 nan 0.000 0.577 290 S N 5.935 121.642 115.700 0.010 0.000 2.593 290 S HA 0.281 4.751 4.470 -0.000 0.000 0.269 290 S C 1.167 175.776 174.600 0.016 0.000 1.334 290 S CA -0.207 57.995 58.200 0.004 0.000 1.015 290 S CB 1.639 64.829 63.200 -0.017 0.000 0.912 290 S HN 0.820 nan 8.310 nan 0.000 0.541 291 A N 1.179 124.000 122.820 0.002 0.000 1.917 291 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 291 A C 2.308 179.889 177.584 -0.006 0.000 1.182 291 A CA 1.970 54.003 52.037 -0.007 0.000 0.633 291 A CB -1.226 17.766 19.000 -0.015 0.000 0.819 291 A HN 0.964 nan 8.150 nan 0.000 0.448 292 Q N -0.581 119.215 119.800 -0.007 0.000 2.050 292 Q HA -0.198 4.141 4.340 -0.000 0.000 0.202 292 Q C 1.803 177.804 176.000 0.002 0.000 0.980 292 Q CA 1.778 57.575 55.803 -0.010 0.000 0.840 292 Q CB -0.117 28.606 28.738 -0.024 0.000 0.898 292 Q HN 0.678 nan 8.270 nan 0.000 0.424 293 N N -0.003 118.702 118.700 0.010 0.000 2.270 293 N HA -0.127 4.612 4.740 -0.000 0.000 0.181 293 N C 1.630 177.198 175.510 0.096 0.000 1.016 293 N CA 1.044 54.113 53.050 0.032 0.000 0.870 293 N CB -0.215 38.279 38.487 0.010 0.000 0.979 293 N HN 0.352 nan 8.380 nan 0.000 0.431 294 M N 0.969 120.629 119.600 0.099 0.000 2.108 294 M HA -0.174 4.306 4.480 -0.000 0.000 0.261 294 M C 0.726 177.019 176.300 -0.012 0.000 1.066 294 M CA 1.690 57.035 55.300 0.074 0.000 1.107 294 M CB 0.028 32.607 32.600 -0.035 0.000 1.356 294 M HN -0.118 nan 8.290 nan 0.000 0.406 295 D N 0.575 120.975 120.400 0.001 0.000 2.178 295 D HA -0.115 4.525 4.640 -0.000 0.000 0.201 295 D C 1.860 178.212 176.300 0.085 0.000 0.980 295 D CA 1.374 55.384 54.000 0.016 0.000 0.842 295 D CB -0.334 40.478 40.800 0.021 0.000 0.948 295 D HN 0.475 nan 8.370 nan 0.000 0.472 296 I N 0.203 120.843 120.570 0.117 0.000 2.163 296 I HA -0.225 3.945 4.170 -0.000 0.000 0.240 296 I C 2.313 178.550 176.117 0.200 0.000 1.081 296 I CA 0.783 62.204 61.300 0.202 0.000 1.353 296 I CB -0.172 37.915 38.000 0.145 0.000 1.054 296 I HN -0.045 nan 8.210 nan 0.000 0.407 297 L N -0.136 121.206 121.223 0.198 0.000 2.201 297 L HA -0.168 4.172 4.340 -0.000 0.000 0.212 297 L C 1.922 178.992 176.870 0.334 0.000 1.105 297 L CA 1.176 56.193 54.840 0.294 0.000 0.775 297 L CB -0.354 41.924 42.059 0.365 0.000 0.913 297 L HN 0.326 nan 8.230 nan 0.000 0.440 298 Q N -0.472 119.412 119.800 0.141 0.000 2.246 298 Q HA 0.065 4.405 4.340 -0.000 0.000 0.202 298 Q C 0.147 176.173 176.000 0.044 0.000 0.883 298 Q CA -0.345 55.498 55.803 0.066 0.000 0.952 298 Q CB 0.095 28.717 28.738 -0.194 0.000 1.078 298 Q HN 0.278 nan 8.270 nan 0.000 0.493 299 N N 2.399 121.139 118.700 0.067 0.000 2.429 299 N HA -0.024 4.715 4.740 -0.000 0.000 0.271 299 N C -1.986 173.513 175.510 -0.018 0.000 1.272 299 N CA -1.060 52.000 53.050 0.017 0.000 0.921 299 N CB 1.127 39.617 38.487 0.005 0.000 1.128 299 N HN -0.008 nan 8.380 nan 0.000 0.481 300 P HA -0.135 nan 4.420 nan 0.000 0.216 300 P C 1.539 178.779 177.300 -0.100 0.000 1.153 300 P CA 0.496 63.561 63.100 -0.059 0.000 0.848 300 P CB 0.304 31.969 31.700 -0.059 0.000 0.787 301 L N -1.462 119.687 121.223 -0.125 0.000 2.109 301 L HA -0.003 4.337 4.340 -0.000 0.000 0.207 301 L C 2.316 179.072 176.870 -0.190 0.000 1.086 301 L CA 1.782 56.504 54.840 -0.198 0.000 0.760 301 L CB -1.394 40.547 42.059 -0.197 0.000 0.910 301 L HN -0.127 nan 8.230 nan 0.000 0.437 302 M N -0.458 119.053 119.600 -0.148 0.000 2.080 302 M HA -0.210 4.269 4.480 -0.000 0.000 0.260 302 M C 2.093 178.339 176.300 -0.089 0.000 1.068 302 M CA 1.984 57.210 55.300 -0.124 0.000 1.109 302 M CB -0.436 32.092 32.600 -0.120 0.000 1.342 302 M HN 0.283 nan 8.290 nan 0.000 0.405 303 I N -0.549 119.974 120.570 -0.077 0.000 2.179 303 I HA -0.326 3.843 4.170 -0.000 0.000 0.242 303 I C 2.443 178.495 176.117 -0.108 0.000 1.088 303 I CA 1.453 62.701 61.300 -0.087 0.000 1.357 303 I CB -0.623 37.330 38.000 -0.078 0.000 1.051 303 I HN 0.358 nan 8.210 nan 0.000 0.409 304 K N 1.432 121.759 120.400 -0.122 0.000 2.044 304 K HA -0.223 4.097 4.320 -0.000 0.000 0.210 304 K C 2.106 178.639 176.600 -0.113 0.000 1.049 304 K CA 1.790 57.998 56.287 -0.132 0.000 0.927 304 K CB -0.153 32.232 32.500 -0.191 0.000 0.713 304 K HN 0.252 nan 8.250 nan 0.000 0.443 305 I N 1.351 121.849 120.570 -0.120 0.000 2.179 305 I HA -0.308 3.862 4.170 -0.000 0.000 0.242 305 I C 2.553 178.648 176.117 -0.038 0.000 1.088 305 I CA 1.211 62.483 61.300 -0.046 0.000 1.357 305 I CB -0.539 37.453 38.000 -0.013 0.000 1.051 305 I HN 0.392 nan 8.210 nan 0.000 0.409 306 N N 0.917 119.574 118.700 -0.071 0.000 2.149 306 N HA -0.212 4.527 4.740 -0.000 0.000 0.188 306 N C 1.491 176.911 175.510 -0.150 0.000 1.019 306 N CA 1.306 54.292 53.050 -0.106 0.000 0.857 306 N CB 0.085 38.505 38.487 -0.112 0.000 0.997 306 N HN 0.375 nan 8.380 nan 0.000 0.426 307 Q N 1.084 120.810 119.800 -0.124 0.000 2.280 307 Q HA 0.030 4.370 4.340 -0.000 0.000 0.202 307 Q C -0.638 175.333 176.000 -0.049 0.000 0.903 307 Q CA -0.099 55.636 55.803 -0.114 0.000 0.948 307 Q CB -0.608 28.069 28.738 -0.102 0.000 1.058 307 Q HN 0.392 nan 8.270 nan 0.000 0.493 308 D N 1.471 121.857 120.400 -0.022 0.000 2.531 308 D HA -0.054 4.585 4.640 -0.000 0.000 0.239 308 D C -1.453 174.885 176.300 0.062 0.000 1.144 308 D CA -0.993 53.026 54.000 0.031 0.000 0.869 308 D CB 1.112 41.950 40.800 0.064 0.000 1.160 308 D HN -0.066 nan 8.370 nan 0.000 0.484 309 P HA -0.123 nan 4.420 nan 0.000 0.219 309 P C 1.244 178.606 177.300 0.103 0.000 1.146 309 P CA 0.900 64.049 63.100 0.081 0.000 0.808 309 P CB 0.130 31.866 31.700 0.060 0.000 0.779 310 L N -2.097 119.186 121.223 0.099 0.000 2.217 310 L HA 0.038 4.378 4.340 -0.000 0.000 0.211 310 L C 1.598 178.544 176.870 0.125 0.000 1.107 310 L CA 0.996 55.893 54.840 0.095 0.000 0.783 310 L CB -1.449 40.660 42.059 0.084 0.000 0.919 310 L HN 0.115 nan 8.230 nan 0.000 0.442 311 G N 1.381 110.298 108.800 0.195 0.000 2.305 311 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.287 311 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.287 311 G C 0.112 175.167 174.900 0.258 0.000 1.036 311 G CA 0.023 45.340 45.100 0.361 0.000 0.887 311 G HN 0.350 nan 8.290 nan 0.000 0.505 312 I N 0.473 121.140 120.570 0.161 0.000 2.337 312 I HA 0.184 4.354 4.170 -0.000 0.000 0.291 312 I C 0.954 177.144 176.117 0.122 0.000 1.046 312 I CA -0.405 60.966 61.300 0.118 0.000 1.324 312 I CB 1.226 39.274 38.000 0.081 0.000 1.409 312 I HN 0.317 nan 8.210 nan 0.000 0.494 313 Q N 4.694 124.569 119.800 0.125 0.000 2.330 313 Q HA 0.243 4.583 4.340 -0.000 0.000 0.279 313 Q C 0.434 176.477 176.000 0.072 0.000 1.024 313 Q CA -0.140 55.725 55.803 0.103 0.000 0.900 313 Q CB 1.043 29.845 28.738 0.106 0.000 1.221 313 Q HN 0.814 nan 8.270 nan 0.000 0.396 314 G N 3.377 112.217 108.800 0.067 0.000 2.621 314 G HA2 0.421 4.381 3.960 -0.000 0.000 0.271 314 G HA3 0.421 4.381 3.960 -0.000 0.000 0.271 314 G C -0.766 174.181 174.900 0.078 0.000 1.236 314 G CA -0.508 44.636 45.100 0.072 0.000 0.958 314 G HN 0.688 nan 8.290 nan 0.000 0.512 315 R N -1.185 119.359 120.500 0.073 0.000 2.808 315 R HA 0.360 4.699 4.340 -0.000 0.000 0.272 315 R C -0.394 175.878 176.300 -0.047 0.000 0.995 315 R CA -0.973 55.141 56.100 0.025 0.000 0.917 315 R CB 2.212 32.495 30.300 -0.029 0.000 1.217 315 R HN 0.475 nan 8.270 nan 0.000 0.471 316 R N 3.208 123.561 120.500 -0.245 0.000 2.296 316 R HA 0.115 4.455 4.340 -0.000 0.000 0.323 316 R C 0.698 176.821 176.300 -0.295 0.000 1.067 316 R CA 0.202 55.916 56.100 -0.642 0.000 0.946 316 R CB 0.374 30.195 30.300 -0.798 0.000 0.991 316 R HN 0.731 nan 8.270 nan 0.000 0.448 317 I N -0.088 120.359 120.570 -0.204 0.000 3.941 317 I HA 0.280 4.450 4.170 -0.000 0.000 0.321 317 I C 0.337 176.475 176.117 0.035 0.000 1.284 317 I CA -0.001 61.259 61.300 -0.068 0.000 1.226 317 I CB 0.197 38.180 38.000 -0.029 0.000 1.045 317 I HN 0.450 nan 8.210 nan 0.000 0.420 318 H N 1.768 120.761 119.070 -0.128 0.000 3.038 318 H HA 0.517 5.073 4.556 0.000 0.000 0.362 318 H C -1.743 173.536 175.328 -0.082 0.000 1.167 318 H CA -0.747 55.265 56.048 -0.061 0.000 1.197 318 H CB 2.683 32.462 29.762 0.030 0.000 1.840 318 H HN 0.038 nan 8.280 nan 0.000 0.540 319 K N 2.947 123.104 120.400 -0.403 0.000 2.464 319 K HA 0.351 4.671 4.320 -0.000 0.000 0.253 319 K C -1.206 175.242 176.600 -0.253 0.000 0.933 319 K CA -0.554 55.595 56.287 -0.230 0.000 0.801 319 K CB 2.365 34.753 32.500 -0.186 0.000 1.271 319 K HN 0.674 nan 8.250 nan 0.000 0.430 320 E N 1.972 122.123 120.200 -0.083 0.000 2.369 320 E HA 0.174 4.524 4.350 -0.000 0.000 0.270 320 E C -0.029 176.551 176.600 -0.034 0.000 0.909 320 E CA -0.686 55.709 56.400 -0.009 0.000 0.775 320 E CB 2.096 31.885 29.700 0.148 0.000 1.270 320 E HN 0.570 nan 8.360 nan 0.000 0.445 321 K N -0.261 120.132 120.400 -0.011 0.000 2.362 321 K HA -0.095 4.225 4.320 -0.000 0.000 0.200 321 K C 1.565 178.142 176.600 -0.040 0.000 1.046 321 K CA 1.437 57.711 56.287 -0.021 0.000 0.952 321 K CB -0.155 32.344 32.500 -0.002 0.000 0.753 321 K HN 0.345 nan 8.250 nan 0.000 0.466 322 S N 1.382 117.053 115.700 -0.048 0.000 2.547 322 S HA -0.025 4.445 4.470 -0.000 0.000 0.235 322 S C 1.110 175.541 174.600 -0.282 0.000 0.980 322 S CA 0.643 58.739 58.200 -0.173 0.000 0.941 322 S CB -0.788 62.282 63.200 -0.216 0.000 0.763 322 S HN 0.487 nan 8.310 nan 0.000 0.532 323 L N -0.708 120.406 121.223 -0.182 0.000 4.560 323 L HA -0.124 4.216 4.340 -0.000 0.000 0.415 323 L C -0.612 176.110 176.870 -0.246 0.000 1.123 323 L CA -0.158 54.570 54.840 -0.186 0.000 0.991 323 L CB -1.816 40.142 42.059 -0.169 0.000 2.127 323 L HN 0.377 nan 8.230 nan 0.000 0.765 324 I N 1.237 121.651 120.570 -0.260 0.000 2.371 324 I HA 0.243 4.413 4.170 -0.000 0.000 0.290 324 I C 0.945 176.968 176.117 -0.157 0.000 1.028 324 I CA 0.274 61.408 61.300 -0.277 0.000 1.345 324 I CB 1.013 38.745 38.000 -0.446 0.000 1.407 324 I HN 0.137 nan 8.210 nan 0.000 0.501 325 E N 4.784 124.950 120.200 -0.058 0.000 2.207 325 E HA 0.598 4.947 4.350 -0.000 0.000 0.270 325 E C -1.183 175.484 176.600 0.112 0.000 0.927 325 E CA -0.821 55.612 56.400 0.056 0.000 0.799 325 E CB 2.923 32.765 29.700 0.237 0.000 1.172 325 E HN 0.256 nan 8.360 nan 0.000 0.404 326 V N 3.152 123.083 119.914 0.029 0.000 2.409 326 V HA 0.291 4.411 4.120 -0.000 0.000 0.291 326 V C -1.217 174.823 176.094 -0.090 0.000 1.020 326 V CA -0.795 61.509 62.300 0.006 0.000 0.848 326 V CB 0.335 32.188 31.823 0.051 0.000 0.990 326 V HN 0.559 nan 8.190 nan 0.000 0.430 327 Y N 4.292 124.546 120.300 -0.075 0.000 2.387 327 Y HA 0.727 5.277 4.550 -0.001 0.000 0.336 327 Y C 0.228 176.087 175.900 -0.068 0.000 1.067 327 Y CA -0.893 57.178 58.100 -0.048 0.000 1.114 327 Y CB 1.904 40.342 38.460 -0.037 0.000 1.208 327 Y HN 0.459 nan 8.280 nan 0.000 0.458 328 M N 4.396 124.055 119.600 0.098 0.000 2.327 328 M HA 0.461 4.941 4.480 -0.000 0.000 0.298 328 M C -1.738 174.609 176.300 0.079 0.000 1.065 328 M CA -0.620 54.725 55.300 0.074 0.000 0.916 328 M CB 2.138 34.756 32.600 0.030 0.000 1.630 328 M HN 0.874 nan 8.290 nan 0.000 0.442 329 R N 5.728 126.285 120.500 0.095 0.000 2.480 329 R HA 0.663 5.003 4.340 -0.000 0.000 0.306 329 R C -2.769 173.590 176.300 0.099 0.000 0.958 329 R CA -1.377 54.776 56.100 0.088 0.000 0.861 329 R CB 2.086 32.440 30.300 0.090 0.000 1.171 329 R HN 0.346 nan 8.270 nan 0.000 0.445 330 P HA 0.225 nan 4.420 nan 0.000 0.279 330 P C -0.887 176.477 177.300 0.106 0.000 1.239 330 P CA -0.160 62.990 63.100 0.084 0.000 0.789 330 P CB 0.903 32.634 31.700 0.052 0.000 0.933 331 L N 0.548 121.847 121.223 0.127 0.000 2.277 331 L HA 0.543 4.883 4.340 -0.000 0.000 0.254 331 L C 0.589 177.534 176.870 0.124 0.000 1.044 331 L CA -1.109 53.816 54.840 0.141 0.000 0.842 331 L CB 1.641 43.825 42.059 0.209 0.000 1.422 331 L HN 0.302 nan 8.230 nan 0.000 0.422 332 S N -0.443 115.329 115.700 0.120 0.000 2.593 332 S HA 0.163 4.632 4.470 -0.000 0.000 0.269 332 S C 0.368 175.026 174.600 0.097 0.000 1.334 332 S CA -0.394 57.864 58.200 0.095 0.000 1.015 332 S CB 0.505 63.752 63.200 0.079 0.000 0.912 332 S HN 0.719 nan 8.310 nan 0.000 0.541 333 N N 0.601 119.345 118.700 0.074 0.000 2.727 333 N HA -0.168 4.571 4.740 -0.000 0.000 0.249 333 N C -0.122 175.434 175.510 0.078 0.000 1.048 333 N CA 1.194 54.282 53.050 0.063 0.000 0.714 333 N CB -1.373 37.143 38.487 0.049 0.000 0.959 333 N HN 0.832 nan 8.380 nan 0.000 0.544 334 K N -3.815 116.639 120.400 0.091 0.000 3.349 334 K HA -0.219 4.101 4.320 -0.000 0.000 0.310 334 K C 0.373 177.066 176.600 0.156 0.000 1.267 334 K CA 1.323 57.680 56.287 0.116 0.000 0.920 334 K CB -1.549 31.012 32.500 0.101 0.000 1.240 334 K HN 0.671 nan 8.250 nan 0.000 0.453 335 A N 0.050 122.950 122.820 0.132 0.000 2.287 335 A HA 0.745 5.065 4.320 -0.000 0.000 0.273 335 A C 0.133 177.802 177.584 0.141 0.000 1.091 335 A CA 0.133 52.230 52.037 0.099 0.000 0.817 335 A CB 0.927 19.928 19.000 0.002 0.000 1.069 335 A HN 0.144 nan 8.150 nan 0.000 0.492 336 S N -1.196 114.577 115.700 0.122 0.000 2.588 336 S HA 0.722 5.192 4.470 -0.000 0.000 0.275 336 S C -0.609 174.112 174.600 0.200 0.000 1.130 336 S CA -0.008 58.312 58.200 0.200 0.000 0.855 336 S CB 1.903 65.307 63.200 0.340 0.000 1.116 336 S HN 1.476 nan 8.310 nan 0.000 0.472 337 A N 1.946 124.899 122.820 0.220 0.000 2.318 337 A HA 0.828 5.148 4.320 -0.000 0.000 0.324 337 A C -1.078 176.600 177.584 0.156 0.000 1.170 337 A CA -0.531 51.637 52.037 0.219 0.000 0.810 337 A CB 0.314 19.431 19.000 0.196 0.000 1.198 337 A HN 0.736 nan 8.150 nan 0.000 0.484 338 L N 2.767 124.060 121.223 0.117 0.000 2.341 338 L HA 0.557 4.897 4.340 -0.000 0.000 0.278 338 L C -0.961 175.786 176.870 -0.205 0.000 1.005 338 L CA -0.872 53.911 54.840 -0.095 0.000 0.818 338 L CB 2.075 43.992 42.059 -0.237 0.000 1.259 338 L HN 0.424 nan 8.230 nan 0.000 0.418 339 V N 3.557 123.334 119.914 -0.229 0.000 2.378 339 V HA 0.371 4.490 4.120 -0.000 0.000 0.288 339 V C -0.579 175.399 176.094 -0.193 0.000 1.016 339 V CA -0.420 61.806 62.300 -0.124 0.000 0.840 339 V CB 1.335 33.153 31.823 -0.009 0.000 0.994 339 V HN 0.368 nan 8.190 nan 0.000 0.431 340 F N 5.535 125.536 119.950 0.085 0.000 2.390 340 F HA 0.500 5.028 4.527 0.002 0.000 0.361 340 F C -0.198 175.703 175.800 0.170 0.000 1.124 340 F CA -0.474 57.552 58.000 0.044 0.000 1.149 340 F CB 0.729 39.681 39.000 -0.081 0.000 1.160 340 F HN 0.432 nan 8.300 nan 0.000 0.501 341 F N 2.850 122.889 119.950 0.148 0.000 2.493 341 F HA 0.488 5.015 4.527 -0.001 0.000 0.329 341 F C -0.198 175.657 175.800 0.091 0.000 1.126 341 F CA -0.708 57.376 58.000 0.141 0.000 0.937 341 F CB 1.174 40.285 39.000 0.185 0.000 1.146 341 F HN 0.339 nan 8.300 nan 0.000 0.442 342 S N 5.407 120.928 115.700 -0.298 0.000 2.422 342 S HA 0.232 4.701 4.470 -0.000 0.000 0.298 342 S C 0.344 174.533 174.600 -0.686 0.000 1.118 342 S CA -0.680 57.275 58.200 -0.408 0.000 1.083 342 S CB 0.452 63.558 63.200 -0.157 0.000 0.971 342 S HN 0.895 nan 8.310 nan 0.000 0.478 343 C N 5.265 124.202 119.300 -0.605 0.000 2.626 343 C HA 0.265 4.725 4.460 -0.000 0.000 0.266 343 C C 1.353 176.258 174.990 -0.143 0.000 1.317 343 C CA -0.388 58.411 59.018 -0.364 0.000 1.716 343 C CB -1.871 25.719 27.740 -0.250 0.000 1.819 343 C HN 0.747 nan 8.230 nan 0.000 0.578 344 R N 1.258 121.662 120.500 -0.160 0.000 2.641 344 R HA 0.247 4.587 4.340 -0.000 0.000 0.269 344 R C 0.883 177.170 176.300 -0.021 0.000 1.074 344 R CA 0.723 56.771 56.100 -0.086 0.000 1.133 344 R CB 0.255 30.491 30.300 -0.107 0.000 1.029 344 R HN 0.432 nan 8.270 nan 0.000 0.488 345 T N -2.814 111.744 114.554 0.007 0.000 3.415 345 T HA 0.091 4.440 4.350 -0.000 0.000 0.282 345 T C -0.036 174.678 174.700 0.023 0.000 1.007 345 T CA -0.532 61.585 62.100 0.027 0.000 0.958 345 T CB -0.054 68.848 68.868 0.057 0.000 1.171 345 T HN 0.658 nan 8.240 nan 0.000 0.500 346 D N 1.701 122.114 120.400 0.021 0.000 3.206 346 D HA 0.291 4.931 4.640 -0.000 0.000 0.267 346 D C 0.755 177.074 176.300 0.031 0.000 1.506 346 D CA 0.191 54.209 54.000 0.030 0.000 1.173 346 D CB 0.101 40.925 40.800 0.040 0.000 1.141 346 D HN 0.606 nan 8.370 nan 0.000 0.350 347 M N -2.148 117.480 119.600 0.047 0.000 2.813 347 M HA 0.615 5.094 4.480 -0.000 0.000 0.270 347 M C -3.048 173.295 176.300 0.072 0.000 1.267 347 M CA -1.874 53.455 55.300 0.048 0.000 0.822 347 M CB 2.205 34.833 32.600 0.047 0.000 1.671 347 M HN -0.380 nan 8.290 nan 0.000 0.468 348 P HA 0.074 nan 4.420 nan 0.000 0.266 348 P C -1.947 175.424 177.300 0.119 0.000 1.195 348 P CA 0.522 63.665 63.100 0.072 0.000 0.768 348 P CB 0.004 31.725 31.700 0.036 0.000 0.838 349 Y N 2.701 122.999 120.300 -0.003 0.000 2.341 349 Y HA 0.381 4.932 4.550 0.002 0.000 0.338 349 Y C 0.274 176.163 175.900 -0.018 0.000 0.965 349 Y CA -0.921 57.179 58.100 -0.000 0.000 1.108 349 Y CB 1.446 39.912 38.460 0.010 0.000 1.180 349 Y HN 0.203 nan 8.280 nan 0.000 0.458 350 R N 5.700 125.908 120.500 -0.487 0.000 2.308 350 R HA 0.092 4.432 4.340 -0.000 0.000 0.325 350 R C -1.537 174.380 176.300 -0.640 0.000 1.161 350 R CA -0.424 55.401 56.100 -0.459 0.000 1.022 350 R CB 0.113 30.158 30.300 -0.424 0.000 1.091 350 R HN 0.560 nan 8.270 nan 0.000 0.497 351 Y N 4.344 124.421 120.300 -0.373 0.000 2.404 351 Y HA 0.106 4.657 4.550 0.001 0.000 0.344 351 Y C -0.223 175.453 175.900 -0.373 0.000 0.995 351 Y CA -0.628 57.356 58.100 -0.194 0.000 1.201 351 Y CB 0.367 38.849 38.460 0.036 0.000 1.151 351 Y HN 0.457 nan 8.280 nan 0.000 0.517 352 H N 4.556 123.312 119.070 -0.525 0.000 2.517 352 H HA 0.476 5.032 4.556 -0.001 0.000 0.317 352 H C -0.324 174.488 175.328 -0.860 0.000 1.080 352 H CA -0.320 55.397 56.048 -0.552 0.000 1.301 352 H CB 1.875 31.430 29.762 -0.345 0.000 1.425 352 H HN 0.664 nan 8.280 nan 0.000 0.471 353 S N 1.587 116.775 115.700 -0.853 0.000 2.757 353 S HA 0.582 5.052 4.470 -0.000 0.000 0.285 353 S C -1.205 172.685 174.600 -1.183 0.000 1.196 353 S CA -0.409 57.256 58.200 -0.893 0.000 0.856 353 S CB 1.423 64.199 63.200 -0.707 0.000 1.212 353 S HN 0.785 nan 8.310 nan 0.000 0.516 354 S N 0.239 115.505 115.700 -0.724 0.000 2.570 354 S HA 0.531 5.000 4.470 -0.000 0.000 0.270 354 S C 0.510 175.133 174.600 0.040 0.000 1.149 354 S CA -0.849 57.116 58.200 -0.392 0.000 0.837 354 S CB 0.709 63.797 63.200 -0.186 0.000 1.124 354 S HN 0.607 nan 8.310 nan 0.000 0.465 355 L N 1.302 122.662 121.223 0.228 0.000 2.131 355 L HA 0.058 4.398 4.340 -0.000 0.000 0.210 355 L C 2.698 179.688 176.870 0.201 0.000 1.092 355 L CA 1.693 56.612 54.840 0.132 0.000 0.759 355 L CB -1.027 40.902 42.059 -0.216 0.000 0.903 355 L HN 1.012 nan 8.230 nan 0.000 0.435 356 G N -0.686 108.192 108.800 0.130 0.000 2.418 356 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.217 356 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.217 356 G C 1.462 176.412 174.900 0.082 0.000 1.158 356 G CA 0.288 45.456 45.100 0.114 0.000 0.771 356 G HN 0.404 nan 8.290 nan 0.000 0.545 357 Q N -0.505 119.315 119.800 0.034 0.000 2.364 357 Q HA 0.168 4.507 4.340 -0.000 0.000 0.207 357 Q C 1.768 177.772 176.000 0.007 0.000 0.970 357 Q CA 0.338 56.132 55.803 -0.014 0.000 0.888 357 Q CB -0.024 28.658 28.738 -0.093 0.000 0.951 357 Q HN 0.429 nan 8.270 nan 0.000 0.469 358 L N 0.356 121.655 121.223 0.127 0.000 2.741 358 L HA 0.149 4.488 4.340 -0.000 0.000 0.237 358 L C -0.328 176.634 176.870 0.154 0.000 1.178 358 L CA -0.337 54.618 54.840 0.192 0.000 0.973 358 L CB 0.192 42.488 42.059 0.395 0.000 1.255 358 L HN 0.167 nan 8.230 nan 0.000 0.498 359 N N -0.732 118.034 118.700 0.111 0.000 2.741 359 N HA -0.212 4.528 4.740 -0.000 0.000 0.250 359 N C -0.230 175.265 175.510 -0.025 0.000 1.115 359 N CA 0.891 53.958 53.050 0.027 0.000 0.724 359 N CB -1.767 36.699 38.487 -0.034 0.000 1.090 359 N HN 0.189 nan 8.380 nan 0.000 0.558 360 F N 0.781 120.739 119.950 0.014 0.000 2.406 360 F HA 0.159 4.687 4.527 0.002 0.000 0.327 360 F C 1.639 177.503 175.800 0.107 0.000 1.153 360 F CA -0.010 58.002 58.000 0.021 0.000 1.218 360 F CB 0.548 39.456 39.000 -0.154 0.000 1.215 360 F HN -0.197 nan 8.300 nan 0.000 0.570 361 T N 1.935 116.714 114.554 0.374 0.000 2.867 361 T HA 0.281 4.631 4.350 -0.000 0.000 0.297 361 T C 0.586 175.470 174.700 0.307 0.000 0.989 361 T CA -0.224 62.044 62.100 0.281 0.000 1.159 361 T CB 0.341 69.353 68.868 0.240 0.000 0.928 361 T HN 0.790 nan 8.240 nan 0.000 0.538 362 G N 1.434 110.349 108.800 0.191 0.000 2.599 362 G HA2 0.402 4.361 3.960 -0.000 0.000 0.264 362 G HA3 0.402 4.361 3.960 -0.000 0.000 0.264 362 G C 0.542 175.510 174.900 0.114 0.000 1.200 362 G CA -0.273 44.922 45.100 0.158 0.000 0.896 362 G HN 1.527 nan 8.290 nan 0.000 0.536 363 S N -3.207 112.547 115.700 0.089 0.000 3.521 363 S HA -0.184 4.286 4.470 -0.000 0.000 0.362 363 S C -0.028 174.582 174.600 0.017 0.000 1.044 363 S CA 0.623 58.852 58.200 0.049 0.000 1.091 363 S CB -2.217 61.004 63.200 0.034 0.000 0.908 363 S HN 1.306 nan 8.310 nan 0.000 0.473 364 V N 1.259 121.181 119.914 0.014 0.000 2.638 364 V HA 0.572 4.692 4.120 -0.000 0.000 0.306 364 V C 0.317 176.295 176.094 -0.194 0.000 1.052 364 V CA -0.910 61.303 62.300 -0.145 0.000 0.885 364 V CB 1.956 33.618 31.823 -0.268 0.000 0.999 364 V HN 0.541 nan 8.190 nan 0.000 0.424 365 I N 4.585 125.017 120.570 -0.231 0.000 2.365 365 I HA 0.449 4.619 4.170 -0.000 0.000 0.291 365 I C -0.840 175.089 176.117 -0.314 0.000 1.004 365 I CA -0.330 60.880 61.300 -0.149 0.000 1.311 365 I CB 0.862 38.816 38.000 -0.077 0.000 1.401 365 I HN 0.504 nan 8.210 nan 0.000 0.491 366 Y N 3.608 123.848 120.300 -0.099 0.000 2.587 366 Y HA 0.535 5.083 4.550 -0.002 0.000 0.337 366 Y C 0.009 175.728 175.900 -0.302 0.000 1.065 366 Y CA -0.741 57.240 58.100 -0.198 0.000 1.126 366 Y CB 1.701 40.024 38.460 -0.228 0.000 1.279 366 Y HN 0.484 nan 8.280 nan 0.000 0.489 367 E N 0.973 120.956 120.200 -0.362 0.000 2.293 367 E HA 0.798 5.148 4.350 -0.000 0.000 0.270 367 E C -1.839 174.218 176.600 -0.905 0.000 0.879 367 E CA -0.962 55.095 56.400 -0.572 0.000 0.756 367 E CB 1.648 31.061 29.700 -0.479 0.000 1.208 367 E HN 0.726 nan 8.360 nan 0.000 0.428 368 A N 3.764 126.151 122.820 -0.722 0.000 2.365 368 A HA 0.450 4.770 4.320 -0.000 0.000 0.318 368 A C -1.099 176.178 177.584 -0.510 0.000 1.091 368 A CA -0.641 50.954 52.037 -0.737 0.000 0.763 368 A CB 1.733 20.013 19.000 -1.199 0.000 1.248 368 A HN 0.625 nan 8.150 nan 0.000 0.442 369 Q N 1.477 121.156 119.800 -0.202 0.000 2.322 369 Q HA 0.243 4.583 4.340 -0.000 0.000 0.265 369 Q C -1.105 174.879 176.000 -0.027 0.000 0.985 369 Q CA -0.651 55.124 55.803 -0.048 0.000 0.849 369 Q CB 1.251 30.098 28.738 0.181 0.000 1.274 369 Q HN 0.776 nan 8.270 nan 0.000 0.449 370 D N 3.600 123.981 120.400 -0.032 0.000 2.382 370 D HA -0.013 4.627 4.640 -0.000 0.000 0.259 370 D C 0.792 177.179 176.300 0.146 0.000 1.224 370 D CA 0.128 54.233 54.000 0.176 0.000 0.894 370 D CB 1.434 42.358 40.800 0.207 0.000 1.127 370 D HN 0.476 nan 8.370 nan 0.000 0.487 371 V N 5.037 125.033 119.914 0.136 0.000 2.407 371 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 371 V C 1.535 177.565 176.094 -0.105 0.000 1.055 371 V CA 1.384 63.660 62.300 -0.040 0.000 1.049 371 V CB -0.739 30.986 31.823 -0.164 0.000 0.662 371 V HN 0.609 nan 8.190 nan 0.000 0.455 372 Y N 0.628 120.995 120.300 0.112 0.000 2.347 372 Y HA -0.054 4.496 4.550 -0.001 0.000 0.294 372 Y C 2.783 178.722 175.900 0.066 0.000 1.117 372 Y CA 1.166 59.314 58.100 0.080 0.000 1.184 372 Y CB -0.401 38.109 38.460 0.082 0.000 1.047 372 Y HN 0.377 nan 8.280 nan 0.000 0.546 373 S N -1.703 114.132 115.700 0.225 0.000 2.486 373 S HA 0.256 4.725 4.470 -0.000 0.000 0.220 373 S C 1.956 176.611 174.600 0.092 0.000 1.011 373 S CA 0.586 58.872 58.200 0.143 0.000 0.921 373 S CB -0.047 63.233 63.200 0.133 0.000 0.785 373 S HN 0.559 nan 8.310 nan 0.000 0.517 374 G N 1.256 110.106 108.800 0.082 0.000 2.179 374 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.260 374 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.260 374 G C -0.376 174.543 174.900 0.031 0.000 0.977 374 G CA 0.211 45.340 45.100 0.049 0.000 0.641 374 G HN 0.566 nan 8.290 nan 0.000 0.533 375 D N 0.215 120.634 120.400 0.031 0.000 2.414 375 D HA 0.390 5.030 4.640 -0.000 0.000 0.242 375 D C 0.815 177.083 176.300 -0.054 0.000 1.129 375 D CA 0.388 54.387 54.000 -0.001 0.000 0.885 375 D CB 0.884 41.692 40.800 0.012 0.000 1.198 375 D HN 0.324 nan 8.370 nan 0.000 0.437 376 I N 2.712 123.243 120.570 -0.066 0.000 2.339 376 I HA 0.211 4.381 4.170 -0.000 0.000 0.290 376 I C -0.186 175.830 176.117 -0.169 0.000 0.994 376 I CA -0.702 60.531 61.300 -0.113 0.000 1.191 376 I CB 1.043 39.016 38.000 -0.045 0.000 1.343 376 I HN 0.073 nan 8.210 nan 0.000 0.458 377 I N 5.868 126.253 120.570 -0.309 0.000 2.306 377 I HA 0.276 4.446 4.170 -0.000 0.000 0.288 377 I C 0.290 176.224 176.117 -0.305 0.000 1.036 377 I CA 0.285 61.389 61.300 -0.326 0.000 1.221 377 I CB 1.290 38.979 38.000 -0.519 0.000 1.385 377 I HN 0.419 nan 8.210 nan 0.000 0.472 378 S N 3.787 119.379 115.700 -0.180 0.000 2.621 378 S HA 0.728 5.197 4.470 -0.000 0.000 0.302 378 S C 0.731 175.276 174.600 -0.093 0.000 1.093 378 S CA 0.088 58.203 58.200 -0.141 0.000 1.017 378 S CB 1.343 64.492 63.200 -0.086 0.000 1.077 378 S HN 1.103 nan 8.310 nan 0.000 0.517 379 G N 2.139 110.895 108.800 -0.073 0.000 2.198 379 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.257 379 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.257 379 G C -0.231 174.667 174.900 -0.002 0.000 1.042 379 G CA 0.158 45.239 45.100 -0.031 0.000 0.791 379 G HN 0.656 nan 8.290 nan 0.000 0.502 380 L N 0.426 121.648 121.223 -0.002 0.000 2.313 380 L HA 0.444 4.783 4.340 -0.000 0.000 0.282 380 L C 1.324 178.281 176.870 0.145 0.000 1.092 380 L CA -0.485 54.391 54.840 0.061 0.000 0.831 380 L CB 0.496 42.566 42.059 0.017 0.000 1.159 380 L HN 0.260 nan 8.230 nan 0.000 0.442 381 R N 1.561 122.143 120.500 0.136 0.000 2.607 381 R HA 0.213 4.552 4.340 -0.000 0.000 0.261 381 R C 0.237 176.639 176.300 0.171 0.000 1.051 381 R CA -1.047 55.152 56.100 0.165 0.000 1.110 381 R CB 0.771 31.132 30.300 0.102 0.000 1.158 381 R HN 0.425 nan 8.270 nan 0.000 0.543 382 D N 1.388 121.898 120.400 0.183 0.000 2.158 382 D HA -0.153 4.486 4.640 -0.000 0.000 0.197 382 D C 1.061 177.418 176.300 0.094 0.000 0.995 382 D CA 1.630 55.717 54.000 0.145 0.000 0.846 382 D CB 0.189 41.084 40.800 0.158 0.000 0.941 382 D HN 0.496 nan 8.370 nan 0.000 0.456 383 E N -0.679 119.567 120.200 0.077 0.000 2.371 383 E HA 0.045 4.395 4.350 -0.000 0.000 0.194 383 E C 0.333 176.952 176.600 0.031 0.000 1.012 383 E CA 0.249 56.673 56.400 0.041 0.000 0.860 383 E CB -0.048 29.673 29.700 0.034 0.000 0.811 383 E HN 0.034 nan 8.360 nan 0.000 0.502 384 T N 2.698 117.293 114.554 0.067 0.000 2.784 384 T HA 0.071 4.421 4.350 -0.000 0.000 0.291 384 T C 0.112 174.850 174.700 0.064 0.000 0.942 384 T CA -0.358 61.790 62.100 0.080 0.000 1.161 384 T CB 0.067 69.010 68.868 0.124 0.000 0.885 384 T HN 0.046 nan 8.240 nan 0.000 0.534 385 N N 3.411 122.112 118.700 0.003 0.000 2.497 385 N HA 0.376 5.116 4.740 -0.000 0.000 0.271 385 N C -0.411 175.118 175.510 0.031 0.000 1.142 385 N CA -0.156 52.840 53.050 -0.091 0.000 0.965 385 N CB 0.513 38.944 38.487 -0.092 0.000 1.077 385 N HN 0.595 nan 8.380 nan 0.000 0.462 386 F N -1.530 118.434 119.950 0.024 0.000 2.603 386 F HA 0.665 5.189 4.527 -0.004 0.000 0.317 386 F C -0.301 175.491 175.800 -0.015 0.000 1.066 386 F CA -1.016 57.013 58.000 0.049 0.000 0.941 386 F CB 1.069 40.167 39.000 0.162 0.000 1.291 386 F HN 0.021 nan 8.300 nan 0.000 0.472 387 T N 2.357 117.086 114.554 0.292 0.000 2.812 387 T HA 0.605 4.955 4.350 -0.000 0.000 0.282 387 T C -0.907 173.844 174.700 0.085 0.000 0.990 387 T CA -0.657 61.489 62.100 0.078 0.000 0.960 387 T CB 1.366 70.248 68.868 0.024 0.000 0.948 387 T HN 0.829 nan 8.240 nan 0.000 0.438 388 V N 1.679 121.565 119.914 -0.047 0.000 2.495 388 V HA 0.695 4.815 4.120 -0.000 0.000 0.298 388 V C -0.384 175.676 176.094 -0.056 0.000 1.031 388 V CA -1.078 61.161 62.300 -0.103 0.000 0.871 388 V CB 1.237 32.800 31.823 -0.434 0.000 0.988 388 V HN 0.850 nan 8.190 nan 0.000 0.432 389 I N 5.578 126.144 120.570 -0.006 0.000 2.297 389 I HA 0.453 4.623 4.170 -0.000 0.000 0.291 389 I C -0.459 175.690 176.117 0.053 0.000 1.033 389 I CA -0.133 61.174 61.300 0.012 0.000 1.253 389 I CB 1.000 39.005 38.000 0.009 0.000 1.396 389 I HN 0.544 nan 8.210 nan 0.000 0.476 390 I N 6.225 126.846 120.570 0.086 0.000 2.362 390 I HA 0.304 4.474 4.170 -0.000 0.000 0.289 390 I C -0.103 176.067 176.117 0.088 0.000 0.994 390 I CA -0.747 60.614 61.300 0.102 0.000 1.158 390 I CB 0.886 38.957 38.000 0.119 0.000 1.315 390 I HN 0.476 nan 8.210 nan 0.000 0.451 391 N N 7.143 125.879 118.700 0.059 0.000 2.503 391 N HA 0.267 5.007 4.740 -0.000 0.000 0.267 391 N C -2.474 173.044 175.510 0.012 0.000 1.214 391 N CA -1.639 51.428 53.050 0.029 0.000 0.959 391 N CB 0.204 38.691 38.487 0.001 0.000 1.142 391 N HN 0.242 nan 8.380 nan 0.000 0.455 392 P HA -0.029 nan 4.420 nan 0.000 0.265 392 P C 0.134 177.399 177.300 -0.060 0.000 1.193 392 P CA 0.398 63.482 63.100 -0.028 0.000 0.765 392 P CB 0.279 31.967 31.700 -0.020 0.000 0.823 393 S N 0.105 115.780 115.700 -0.042 0.000 3.477 393 S HA -0.159 4.311 4.470 -0.000 0.000 0.357 393 S C 0.529 175.127 174.600 -0.003 0.000 1.083 393 S CA 0.706 58.899 58.200 -0.011 0.000 1.042 393 S CB -2.400 60.601 63.200 -0.331 0.000 0.911 393 S HN 0.862 nan 8.310 nan 0.000 0.490 394 G N -0.759 108.104 108.800 0.104 0.000 3.042 394 G HA2 0.838 4.798 3.960 -0.000 0.000 0.278 394 G HA3 0.838 4.798 3.960 -0.000 0.000 0.278 394 G C -0.432 174.654 174.900 0.310 0.000 1.371 394 G CA -0.335 44.845 45.100 0.133 0.000 1.009 394 G HN 1.620 nan 8.290 nan 0.000 0.523 395 V N -3.150 116.908 119.914 0.240 0.000 3.102 395 V HA 0.881 5.001 4.120 -0.000 0.000 0.312 395 V C -0.878 175.375 176.094 0.264 0.000 1.135 395 V CA -1.043 61.440 62.300 0.305 0.000 1.022 395 V CB 1.583 33.582 31.823 0.293 0.000 1.056 395 V HN 0.657 nan 8.190 nan 0.000 0.436 396 V N 3.334 123.432 119.914 0.307 0.000 2.540 396 V HA 0.609 4.728 4.120 -0.000 0.000 0.302 396 V C -0.269 176.040 176.094 0.359 0.000 1.035 396 V CA -0.344 62.150 62.300 0.323 0.000 0.873 396 V CB 1.658 33.614 31.823 0.222 0.000 0.992 396 V HN 1.027 nan 8.190 nan 0.000 0.428 397 M N 4.667 124.488 119.600 0.368 0.000 2.253 397 M HA 0.549 5.029 4.480 -0.000 0.000 0.314 397 M C -2.180 174.403 176.300 0.472 0.000 1.019 397 M CA -0.348 55.127 55.300 0.292 0.000 0.932 397 M CB 1.751 34.447 32.600 0.161 0.000 1.606 397 M HN 0.645 nan 8.290 nan 0.000 0.430 398 W N 3.896 125.284 121.300 0.146 0.000 2.573 398 W HA 0.356 5.015 4.660 -0.003 0.000 0.326 398 W C -1.226 175.380 176.519 0.145 0.000 1.049 398 W CA -0.899 56.519 57.345 0.122 0.000 1.220 398 W CB 0.840 30.355 29.460 0.092 0.000 1.373 398 W HN 0.482 nan 8.180 nan 0.000 0.507 399 Y N 4.976 125.400 120.300 0.206 0.000 2.385 399 Y HA 0.579 5.128 4.550 -0.001 0.000 0.341 399 Y C -1.352 174.643 175.900 0.157 0.000 0.965 399 Y CA -1.014 57.195 58.100 0.182 0.000 1.180 399 Y CB 0.455 39.013 38.460 0.162 0.000 1.139 399 Y HN 0.283 nan 8.280 nan 0.000 0.502 400 L N 8.620 129.706 121.223 -0.228 0.000 2.346 400 L HA 0.678 5.018 4.340 -0.000 0.000 0.274 400 L C -1.812 174.933 176.870 -0.209 0.000 1.007 400 L CA -0.752 53.905 54.840 -0.305 0.000 0.818 400 L CB 1.343 43.306 42.059 -0.160 0.000 1.284 400 L HN 0.618 nan 8.230 nan 0.000 0.424 401 Y N 1.913 122.148 120.300 -0.109 0.000 2.558 401 Y HA 0.755 5.306 4.550 0.001 0.000 0.333 401 Y C -2.959 172.948 175.900 0.013 0.000 1.125 401 Y CA -2.840 55.230 58.100 -0.050 0.000 1.039 401 Y CB 0.456 38.803 38.460 -0.188 0.000 1.331 401 Y HN 0.379 nan 8.280 nan 0.000 0.456 402 P HA 0.380 nan 4.420 nan 0.000 0.271 402 P C -0.620 176.670 177.300 -0.016 0.000 1.218 402 P CA -0.046 62.940 63.100 -0.190 0.000 0.780 402 P CB 0.957 32.533 31.700 -0.206 0.000 0.901 403 I N -2.117 118.403 120.570 -0.083 0.000 2.934 403 I HA 0.665 4.835 4.170 -0.000 0.000 0.306 403 I C -0.188 175.904 176.117 -0.042 0.000 1.110 403 I CA -1.555 59.740 61.300 -0.008 0.000 1.019 403 I CB 2.111 40.122 38.000 0.018 0.000 1.227 403 I HN -0.074 nan 8.210 nan 0.000 0.434 404 K N 0.000 120.390 120.400 -0.017 0.000 2.780 404 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 404 K CA 0.000 56.274 56.287 -0.021 0.000 0.838 404 K CB 0.000 32.494 32.500 -0.011 0.000 1.064 404 K HN 0.000 nan 8.250 nan 0.000 0.543