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 2v63_1_E DATA FIRST_RESID 11 DATA SEQUENCE AGFKAGVKDY RLTYYTPDYV VRDTDILAAF RMTPQPGVPP EECGAAVAAE DATA SEQUENCE SSTGTWTTVW TDGLTSLDRY KGRCYDIEPV PGEDNQYIAY VAYXIDLFEE DATA SEQUENCE GSVTNMFTSI VGNVFGFKAL RALRLEDLRI PPAYVKTFVG XPHGIQVERD DATA SEQUENCE KLNKYGRGLL GCTIKPKLGL SAKNYGRAVY ECLRGGLDFT XDDENVNSQP DATA SEQUENCE FMRWRDRFLF VAEAIYKAQA ETGEVKGHYL NATAGTCEEM MKRAVXAKEL DATA SEQUENCE GVPIIMHDYL TGGFTANTSL AIYCRDNGLL LHIHRAMHAV IDRQRNHGIH DATA SEQUENCE FRVLAKALRM SGGDHLHSGT AVGKLEGERE VTLGFVDLMR DDYVEKDRSR DATA SEQUENCE GIYFTQDWXS MPGVMPVASG GIHVWHMPAL VEIFGDDACL QFGGGTLGHP DATA SEQUENCE WGNAPGAAAN RVALEACTQA RNEGRDLARE GGDVIRSACK WSPELAAACE DATA SEQUENCE VWKEIKFEFD TIDK 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 11 A HA 0.000 nan 4.320 nan 0.000 0.244 11 A C 0.000 177.619 177.584 0.058 0.000 1.274 11 A CA 0.000 52.056 52.037 0.032 0.000 0.836 11 A CB 0.000 19.016 19.000 0.027 0.000 0.831 12 G N 0.402 109.237 108.800 0.058 0.000 2.562 12 G HA2 0.527 4.487 3.960 -0.000 0.000 0.275 12 G HA3 0.527 4.487 3.960 -0.000 0.000 0.275 12 G C -0.170 174.820 174.900 0.151 0.000 1.196 12 G CA -0.580 44.577 45.100 0.096 0.000 0.908 12 G HN 1.253 nan 8.290 nan 0.000 0.524 13 F N 0.912 120.884 119.950 0.038 0.000 2.506 13 F HA 0.386 4.912 4.527 -0.000 0.000 0.371 13 F C 0.506 176.322 175.800 0.027 0.000 1.078 13 F CA -0.662 57.370 58.000 0.053 0.000 1.195 13 F CB 0.721 39.781 39.000 0.100 0.000 1.099 13 F HN 0.184 nan 8.300 nan 0.000 0.548 14 K N 6.499 126.640 120.400 -0.432 0.000 2.449 14 K HA 0.612 4.932 4.320 -0.000 0.000 0.257 14 K C -0.753 175.413 176.600 -0.722 0.000 0.989 14 K CA -0.654 55.305 56.287 -0.547 0.000 0.916 14 K CB 1.078 33.443 32.500 -0.226 0.000 1.136 14 K HN 0.807 nan 8.250 nan 0.000 0.439 15 A N 2.600 124.842 122.820 -0.963 0.000 2.445 15 A HA 0.592 4.912 4.320 -0.000 0.000 0.242 15 A C 0.483 177.926 177.584 -0.235 0.000 1.075 15 A CA 0.894 52.611 52.037 -0.535 0.000 0.777 15 A CB 0.062 18.861 19.000 -0.334 0.000 1.013 15 A HN 1.001 nan 8.150 nan 0.000 0.493 16 G N -0.958 107.760 108.800 -0.136 0.000 2.381 16 G HA2 0.311 4.271 3.960 -0.000 0.000 0.672 16 G HA3 0.311 4.271 3.960 -0.000 0.000 0.672 16 G C -0.960 173.875 174.900 -0.108 0.000 1.324 16 G CA -0.434 44.606 45.100 -0.100 0.000 0.975 16 G HN 1.437 nan 8.290 nan 0.000 0.593 17 V N 1.626 121.503 119.914 -0.062 0.000 2.465 17 V HA 0.651 4.771 4.120 -0.000 0.000 0.279 17 V C 0.689 176.749 176.094 -0.056 0.000 1.045 17 V CA 0.499 62.767 62.300 -0.054 0.000 0.938 17 V CB 1.149 33.007 31.823 0.058 0.000 0.986 17 V HN 1.048 nan 8.190 nan 0.000 0.467 18 K N 2.029 122.376 120.400 -0.089 0.000 2.433 18 K HA 0.637 4.957 4.320 -0.000 0.000 0.252 18 K C -1.337 175.198 176.600 -0.108 0.000 1.015 18 K CA -1.089 55.156 56.287 -0.070 0.000 0.860 18 K CB 1.603 34.074 32.500 -0.048 0.000 1.359 18 K HN 0.310 nan 8.250 nan 0.000 0.452 19 D N 0.980 121.350 120.400 -0.051 0.000 2.455 19 D HA 0.034 4.674 4.640 -0.000 0.000 0.241 19 D C 0.550 176.860 176.300 0.015 0.000 1.138 19 D CA 0.177 54.163 54.000 -0.024 0.000 0.877 19 D CB 0.203 41.020 40.800 0.028 0.000 1.187 19 D HN 0.441 nan 8.370 nan 0.000 0.451 20 Y N 1.628 121.983 120.300 0.091 0.000 2.193 20 Y HA -0.249 4.301 4.550 -0.000 0.000 0.285 20 Y C 2.406 178.425 175.900 0.199 0.000 1.166 20 Y CA 1.369 59.561 58.100 0.153 0.000 1.181 20 Y CB -0.308 38.174 38.460 0.038 0.000 0.976 20 Y HN 0.476 nan 8.280 nan 0.000 0.520 21 R N 0.501 121.159 120.500 0.264 0.000 2.193 21 R HA -0.137 4.203 4.340 -0.000 0.000 0.229 21 R C 1.657 178.074 176.300 0.194 0.000 1.110 21 R CA 1.603 57.835 56.100 0.221 0.000 0.988 21 R CB -1.059 29.306 30.300 0.108 0.000 0.871 21 R HN 0.367 nan 8.270 nan 0.000 0.458 22 L N 0.762 122.065 121.223 0.133 0.000 2.201 22 L HA -0.065 4.275 4.340 -0.000 0.000 0.212 22 L C 1.523 178.405 176.870 0.020 0.000 1.105 22 L CA 1.454 56.336 54.840 0.070 0.000 0.775 22 L CB -0.190 41.893 42.059 0.039 0.000 0.913 22 L HN 0.307 nan 8.230 nan 0.000 0.440 23 T N -3.180 111.379 114.554 0.007 0.000 3.026 23 T HA 0.051 4.401 4.350 -0.000 0.000 0.245 23 T C 1.004 175.498 174.700 -0.343 0.000 1.004 23 T CA 0.276 62.231 62.100 -0.243 0.000 1.069 23 T CB 0.116 68.710 68.868 -0.456 0.000 1.005 23 T HN 0.111 nan 8.240 nan 0.000 0.472 24 Y N -0.216 120.127 120.300 0.073 0.000 2.467 24 Y HA 0.419 4.969 4.550 -0.000 0.000 0.250 24 Y C -0.027 175.923 175.900 0.084 0.000 1.155 24 Y CA -1.159 56.966 58.100 0.042 0.000 1.249 24 Y CB 0.444 38.927 38.460 0.038 0.000 1.146 24 Y HN 0.179 nan 8.280 nan 0.000 0.524 25 Y N 2.081 122.429 120.300 0.081 0.000 2.417 25 Y HA 0.420 4.970 4.550 -0.000 0.000 0.336 25 Y C -0.013 175.905 175.900 0.030 0.000 0.961 25 Y CA -1.501 56.626 58.100 0.044 0.000 1.215 25 Y CB 0.744 39.225 38.460 0.035 0.000 1.120 25 Y HN 0.027 nan 8.280 nan 0.000 0.499 26 T N 5.505 119.860 114.554 -0.331 0.000 3.327 26 T HA 0.286 4.635 4.350 -0.000 0.000 0.373 26 T C -2.358 172.188 174.700 -0.257 0.000 1.589 26 T CA -1.851 60.092 62.100 -0.262 0.000 1.497 26 T CB 1.045 69.841 68.868 -0.120 0.000 1.032 26 T HN 0.472 nan 8.240 nan 0.000 0.640 27 P HA 0.063 nan 4.420 nan 0.000 0.230 27 P C 0.148 177.416 177.300 -0.054 0.000 1.158 27 P CA 0.697 63.627 63.100 -0.283 0.000 0.769 27 P CB 0.237 31.720 31.700 -0.361 0.000 0.807 28 D N -1.961 118.415 120.400 -0.040 0.000 2.363 28 D HA 0.017 4.657 4.640 -0.000 0.000 0.214 28 D C 0.325 176.644 176.300 0.032 0.000 1.093 28 D CA -0.376 53.623 54.000 -0.002 0.000 0.837 28 D CB -0.530 40.259 40.800 -0.019 0.000 0.948 28 D HN 0.183 nan 8.370 nan 0.000 0.507 29 Y N 1.802 122.064 120.300 -0.063 0.000 2.526 29 Y HA 0.143 4.693 4.550 -0.000 0.000 0.330 29 Y C -0.149 175.678 175.900 -0.121 0.000 1.156 29 Y CA -0.225 57.823 58.100 -0.086 0.000 1.419 29 Y CB 0.605 39.016 38.460 -0.080 0.000 1.250 29 Y HN -0.326 nan 8.280 nan 0.000 0.540 30 V N 8.517 128.012 119.914 -0.699 0.000 2.364 30 V HA 0.209 4.328 4.120 -0.000 0.000 0.272 30 V C -0.244 175.204 176.094 -1.076 0.000 1.036 30 V CA -0.804 61.106 62.300 -0.650 0.000 0.880 30 V CB 0.760 32.356 31.823 -0.378 0.000 0.991 30 V HN 0.737 nan 8.190 nan 0.000 0.460 31 V N 4.313 123.751 119.914 -0.794 0.000 2.740 31 V HA 0.405 4.524 4.120 -0.000 0.000 0.303 31 V C 0.439 176.313 176.094 -0.366 0.000 1.054 31 V CA -0.511 61.429 62.300 -0.599 0.000 1.106 31 V CB 0.163 31.715 31.823 -0.451 0.000 0.957 31 V HN 0.836 nan 8.190 nan 0.000 0.486 32 R N 2.698 123.071 120.500 -0.212 0.000 2.500 32 R HA 0.329 4.669 4.340 -0.000 0.000 0.277 32 R C 0.199 176.451 176.300 -0.079 0.000 1.026 32 R CA -0.619 55.409 56.100 -0.120 0.000 1.058 32 R CB 0.770 31.043 30.300 -0.045 0.000 1.078 32 R HN 0.759 nan 8.270 nan 0.000 0.509 33 D N 0.584 120.948 120.400 -0.061 0.000 2.378 33 D HA -0.089 4.551 4.640 -0.000 0.000 0.222 33 D C 1.394 177.679 176.300 -0.024 0.000 0.980 33 D CA 1.309 55.284 54.000 -0.042 0.000 0.907 33 D CB 0.142 40.925 40.800 -0.028 0.000 0.899 33 D HN 0.627 nan 8.370 nan 0.000 0.527 34 T N -2.755 111.794 114.554 -0.009 0.000 3.060 34 T HA 0.033 4.383 4.350 -0.000 0.000 0.249 34 T C 0.540 175.251 174.700 0.019 0.000 1.079 34 T CA -0.485 61.624 62.100 0.015 0.000 1.013 34 T CB 0.374 69.262 68.868 0.033 0.000 0.975 34 T HN -0.240 nan 8.240 nan 0.000 0.518 35 D N 1.723 122.130 120.400 0.012 0.000 2.382 35 D HA 0.333 4.973 4.640 -0.000 0.000 0.245 35 D C -0.198 176.095 176.300 -0.010 0.000 1.120 35 D CA -0.437 53.589 54.000 0.044 0.000 0.890 35 D CB 0.676 41.509 40.800 0.054 0.000 1.201 35 D HN 0.184 nan 8.370 nan 0.000 0.433 36 I N 2.332 122.920 120.570 0.031 0.000 2.371 36 I HA 0.134 4.304 4.170 -0.000 0.000 0.290 36 I C 0.091 176.243 176.117 0.059 0.000 1.028 36 I CA -0.077 61.179 61.300 -0.073 0.000 1.345 36 I CB 0.450 38.281 38.000 -0.282 0.000 1.407 36 I HN 0.063 nan 8.210 nan 0.000 0.501 37 L N 6.061 127.186 121.223 -0.162 0.000 2.334 37 L HA 0.905 5.245 4.340 -0.000 0.000 0.273 37 L C -0.100 176.629 176.870 -0.235 0.000 1.013 37 L CA -0.806 53.927 54.840 -0.178 0.000 0.816 37 L CB 1.616 43.371 42.059 -0.506 0.000 1.278 37 L HN 0.658 nan 8.230 nan 0.000 0.431 38 A N 1.822 124.698 122.820 0.094 0.000 2.393 38 A HA 0.873 5.193 4.320 -0.000 0.000 0.306 38 A C -0.789 176.860 177.584 0.108 0.000 1.050 38 A CA -0.537 51.520 52.037 0.034 0.000 0.724 38 A CB 1.755 20.758 19.000 0.004 0.000 1.248 38 A HN 0.751 nan 8.150 nan 0.000 0.424 39 A N 1.841 124.612 122.820 -0.082 0.000 2.267 39 A HA 0.722 5.042 4.320 -0.000 0.000 0.315 39 A C -1.194 176.049 177.584 -0.569 0.000 1.297 39 A CA -0.269 51.508 52.037 -0.432 0.000 0.865 39 A CB -0.166 18.413 19.000 -0.700 0.000 1.165 39 A HN 0.627 nan 8.150 nan 0.000 0.513 40 F N 1.627 121.384 119.950 -0.322 0.000 2.427 40 F HA 0.442 4.969 4.527 -0.000 0.000 0.346 40 F C 0.967 176.623 175.800 -0.240 0.000 1.120 40 F CA -0.321 57.529 58.000 -0.250 0.000 1.033 40 F CB 1.578 40.441 39.000 -0.228 0.000 1.126 40 F HN 0.613 nan 8.300 nan 0.000 0.462 41 R N 5.373 125.862 120.500 -0.018 0.000 2.242 41 R HA 0.395 4.735 4.340 -0.000 0.000 0.334 41 R C -0.879 175.440 176.300 0.032 0.000 1.071 41 R CA -0.179 55.921 56.100 0.001 0.000 0.922 41 R CB 0.417 30.719 30.300 0.003 0.000 1.023 41 R HN 0.833 nan 8.270 nan 0.000 0.458 42 M N 3.738 123.366 119.600 0.046 0.000 2.311 42 M HA 0.288 4.768 4.480 -0.000 0.000 0.325 42 M C -1.188 175.169 176.300 0.096 0.000 1.061 42 M CA -0.285 55.033 55.300 0.031 0.000 0.957 42 M CB 2.213 34.813 32.600 -0.000 0.000 1.646 42 M HN 0.451 nan 8.290 nan 0.000 0.434 43 T N 6.123 120.718 114.554 0.069 0.000 2.977 43 T HA 0.458 4.808 4.350 -0.000 0.000 0.346 43 T C -2.659 172.086 174.700 0.075 0.000 1.140 43 T CA -1.155 60.998 62.100 0.089 0.000 1.040 43 T CB 0.647 69.557 68.868 0.070 0.000 1.046 43 T HN 0.414 nan 8.240 nan 0.000 0.494 44 P HA 0.175 nan 4.420 nan 0.000 0.274 44 P C 0.109 177.439 177.300 0.051 0.000 1.231 44 P CA -0.639 62.489 63.100 0.048 0.000 0.790 44 P CB 0.590 32.307 31.700 0.029 0.000 0.951 45 Q N 1.987 121.808 119.800 0.035 0.000 2.432 45 Q HA 0.142 4.482 4.340 -0.000 0.000 0.264 45 Q C -1.988 174.031 176.000 0.032 0.000 1.035 45 Q CA -1.246 54.577 55.803 0.033 0.000 0.908 45 Q CB -0.801 27.955 28.738 0.030 0.000 1.280 45 Q HN 0.334 nan 8.270 nan 0.000 0.455 46 P HA -0.025 nan 4.420 nan 0.000 0.264 46 P C 0.498 177.811 177.300 0.021 0.000 1.183 46 P CA 1.065 64.181 63.100 0.027 0.000 0.763 46 P CB 0.264 31.978 31.700 0.022 0.000 0.807 47 G N 1.263 110.074 108.800 0.018 0.000 2.176 47 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.253 47 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.253 47 G C -0.056 174.846 174.900 0.004 0.000 0.979 47 G CA -0.133 44.974 45.100 0.011 0.000 0.641 47 G HN 0.529 nan 8.290 nan 0.000 0.530 48 V N 2.451 122.366 119.914 0.001 0.000 2.333 48 V HA 0.462 4.582 4.120 -0.000 0.000 0.274 48 V C -1.587 174.474 176.094 -0.054 0.000 1.028 48 V CA -1.611 60.679 62.300 -0.015 0.000 0.851 48 V CB 1.435 33.254 31.823 -0.005 0.000 1.000 48 V HN 0.133 nan 8.190 nan 0.000 0.456 49 P HA 0.196 nan 4.420 nan 0.000 0.269 49 P C -2.094 175.064 177.300 -0.237 0.000 1.209 49 P CA -1.301 61.714 63.100 -0.142 0.000 0.776 49 P CB 0.243 31.866 31.700 -0.129 0.000 0.876 50 P HA -0.184 nan 4.420 nan 0.000 0.216 50 P C 1.043 178.072 177.300 -0.451 0.000 1.150 50 P CA 1.492 64.248 63.100 -0.575 0.000 0.837 50 P CB 0.084 31.152 31.700 -1.055 0.000 0.786 51 E N -0.517 119.398 120.200 -0.474 0.000 2.072 51 E HA -0.199 4.150 4.350 -0.000 0.000 0.191 51 E C 2.030 178.381 176.600 -0.414 0.000 0.985 51 E CA 1.089 57.087 56.400 -0.670 0.000 0.801 51 E CB -0.655 28.518 29.700 -0.878 0.000 0.750 51 E HN 0.248 nan 8.360 nan 0.000 0.452 52 E N 0.052 120.103 120.200 -0.248 0.000 2.106 52 E HA -0.135 4.215 4.350 -0.000 0.000 0.192 52 E C 1.867 178.396 176.600 -0.119 0.000 0.984 52 E CA 0.933 57.273 56.400 -0.101 0.000 0.806 52 E CB -0.533 29.146 29.700 -0.035 0.000 0.750 52 E HN 0.279 nan 8.360 nan 0.000 0.458 53 C N -0.345 118.849 119.300 -0.177 0.000 2.432 53 C HA 0.016 4.476 4.460 -0.000 0.000 0.277 53 C C 2.676 177.497 174.990 -0.282 0.000 1.249 53 C CA 1.420 60.312 59.018 -0.209 0.000 1.725 53 C CB -1.379 26.250 27.740 -0.185 0.000 2.028 53 C HN 0.664 nan 8.230 nan 0.000 0.477 54 G N -0.270 108.375 108.800 -0.258 0.000 2.418 54 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.217 54 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.217 54 G C 1.921 176.698 174.900 -0.205 0.000 1.158 54 G CA 1.056 46.019 45.100 -0.228 0.000 0.771 54 G HN 0.701 nan 8.290 nan 0.000 0.545 55 A N 1.126 123.861 122.820 -0.141 0.000 1.930 55 A HA 0.305 4.625 4.320 -0.000 0.000 0.217 55 A C 2.805 180.198 177.584 -0.317 0.000 1.175 55 A CA 2.112 54.120 52.037 -0.048 0.000 0.627 55 A CB -0.717 18.358 19.000 0.125 0.000 0.815 55 A HN 0.740 nan 8.150 nan 0.000 0.443 56 A N -0.455 122.051 122.820 -0.523 0.000 1.877 56 A HA -0.021 4.299 4.320 -0.000 0.000 0.216 56 A C 2.237 179.219 177.584 -1.002 0.000 1.186 56 A CA 1.849 53.211 52.037 -1.124 0.000 0.620 56 A CB -0.972 17.518 19.000 -0.850 0.000 0.822 56 A HN 0.384 nan 8.150 nan 0.000 0.443 57 V N -0.112 119.360 119.914 -0.738 0.000 2.295 57 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 57 V C 3.080 178.850 176.094 -0.539 0.000 1.049 57 V CA 2.019 63.883 62.300 -0.726 0.000 1.024 57 V CB -1.326 30.007 31.823 -0.816 0.000 0.648 57 V HN 0.625 nan 8.190 nan 0.000 0.447 58 A N -0.044 122.531 122.820 -0.409 0.000 1.908 58 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 58 A C 2.416 179.792 177.584 -0.347 0.000 1.181 58 A CA 2.349 54.227 52.037 -0.265 0.000 0.627 58 A CB -0.830 18.089 19.000 -0.135 0.000 0.818 58 A HN 0.586 nan 8.150 nan 0.000 0.445 59 A N -0.627 121.774 122.820 -0.699 0.000 1.873 59 A HA -0.115 4.205 4.320 -0.000 0.000 0.215 59 A C 1.873 179.112 177.584 -0.575 0.000 1.186 59 A CA 1.523 52.876 52.037 -1.140 0.000 0.616 59 A CB -0.364 17.796 19.000 -1.400 0.000 0.823 59 A HN 0.477 nan 8.150 nan 0.000 0.442 60 E N 0.336 120.210 120.200 -0.542 0.000 2.489 60 E HA -0.020 4.330 4.350 -0.000 0.000 0.193 60 E C 1.308 177.814 176.600 -0.156 0.000 1.057 60 E CA 0.835 57.049 56.400 -0.311 0.000 0.866 60 E CB -0.016 29.408 29.700 -0.461 0.000 0.916 60 E HN 0.702 nan 8.360 nan 0.000 0.500 61 S N -0.724 114.896 115.700 -0.133 0.000 2.572 61 S HA 0.139 4.609 4.470 -0.000 0.000 0.228 61 S C 1.325 175.986 174.600 0.102 0.000 0.963 61 S CA 0.241 58.458 58.200 0.028 0.000 0.939 61 S CB 0.278 63.556 63.200 0.129 0.000 0.804 61 S HN 0.143 nan 8.310 nan 0.000 0.480 62 S N 1.349 117.075 115.700 0.044 0.000 4.640 62 S HA 0.164 4.634 4.470 -0.000 0.000 0.157 62 S C 1.349 175.964 174.600 0.025 0.000 0.963 62 S CA 0.575 58.821 58.200 0.076 0.000 1.235 62 S CB -0.216 63.094 63.200 0.184 0.000 1.848 62 S HN 0.520 nan 8.310 nan 0.000 0.751 63 T N -1.015 113.571 114.554 0.054 0.000 2.966 63 T HA 0.483 4.833 4.350 -0.000 0.000 0.254 63 T C 0.858 175.604 174.700 0.076 0.000 0.961 63 T CA 0.446 62.593 62.100 0.077 0.000 0.915 63 T CB 0.071 69.039 68.868 0.167 0.000 1.186 63 T HN 0.754 nan 8.240 nan 0.000 0.505 64 G N 0.289 109.099 108.800 0.017 0.000 2.462 64 G HA2 0.566 4.526 3.960 -0.000 0.000 0.319 64 G HA3 0.566 4.526 3.960 -0.000 0.000 0.319 64 G C -0.837 174.113 174.900 0.084 0.000 1.171 64 G CA -0.243 44.891 45.100 0.057 0.000 0.920 64 G HN 0.285 nan 8.290 nan 0.000 0.499 65 T N -1.139 113.499 114.554 0.140 0.000 2.645 65 T HA 0.420 4.770 4.350 -0.000 0.000 0.273 65 T C 0.642 175.485 174.700 0.238 0.000 0.960 65 T CA -0.438 61.792 62.100 0.216 0.000 1.051 65 T CB 0.764 69.713 68.868 0.135 0.000 1.366 65 T HN 0.674 nan 8.240 nan 0.000 0.536 66 W N 0.696 122.095 121.300 0.165 0.000 2.678 66 W HA 0.299 4.959 4.660 -0.000 0.000 0.256 66 W C 0.322 176.819 176.519 -0.037 0.000 1.280 66 W CA 0.429 57.825 57.345 0.085 0.000 1.345 66 W CB -1.033 28.498 29.460 0.118 0.000 1.118 66 W HN 0.533 nan 8.180 nan 0.000 0.629 67 T N 0.973 115.071 114.554 -0.760 0.000 2.896 67 T HA 0.335 4.684 4.350 -0.000 0.000 0.297 67 T C -0.457 174.021 174.700 -0.371 0.000 1.108 67 T CA -0.327 61.353 62.100 -0.701 0.000 1.004 67 T CB 1.821 69.903 68.868 -1.311 0.000 1.159 67 T HN -0.206 nan 8.240 nan 0.000 0.499 68 T N 2.788 117.234 114.554 -0.180 0.000 2.853 68 T HA 0.434 4.784 4.350 -0.000 0.000 0.298 68 T C 0.272 175.048 174.700 0.126 0.000 0.978 68 T CA -0.327 61.777 62.100 0.006 0.000 1.152 68 T CB 0.027 68.937 68.868 0.070 0.000 0.914 68 T HN 0.670 nan 8.240 nan 0.000 0.539 69 V N 2.999 122.942 119.914 0.048 0.000 2.667 69 V HA 0.508 4.628 4.120 -0.000 0.000 0.308 69 V C 1.146 177.094 176.094 -0.244 0.000 1.048 69 V CA -1.155 61.090 62.300 -0.092 0.000 0.928 69 V CB 1.378 33.060 31.823 -0.235 0.000 1.004 69 V HN 1.035 nan 8.190 nan 0.000 0.444 70 W N 2.166 123.033 121.300 -0.722 0.000 2.467 70 W HA -0.076 4.584 4.660 -0.000 0.000 0.275 70 W C 1.522 177.806 176.519 -0.391 0.000 1.239 70 W CA 1.403 58.158 57.345 -0.983 0.000 1.266 70 W CB -1.699 26.872 29.460 -1.482 0.000 1.112 70 W HN 0.755 nan 8.180 nan 0.000 0.576 71 T N -0.773 113.134 114.554 -1.078 0.000 2.929 71 T HA -0.241 4.109 4.350 -0.000 0.000 0.271 71 T C 1.129 175.603 174.700 -0.377 0.000 1.085 71 T CA 1.684 63.216 62.100 -0.945 0.000 1.125 71 T CB -0.680 67.553 68.868 -1.059 0.000 0.874 71 T HN -0.088 nan 8.240 nan 0.000 0.494 72 D N 2.033 122.285 120.400 -0.247 0.000 2.172 72 D HA -0.065 4.575 4.640 -0.000 0.000 0.196 72 D C 2.313 178.591 176.300 -0.037 0.000 0.999 72 D CA 1.480 55.422 54.000 -0.097 0.000 0.856 72 D CB -0.922 39.858 40.800 -0.032 0.000 0.934 72 D HN 0.614 nan 8.370 nan 0.000 0.453 73 G N -0.093 108.702 108.800 -0.007 0.000 2.534 73 G HA2 -0.122 3.837 3.960 -0.000 0.000 0.217 73 G HA3 -0.122 3.837 3.960 -0.000 0.000 0.217 73 G C 1.610 176.535 174.900 0.042 0.000 1.128 73 G CA 0.004 45.132 45.100 0.046 0.000 0.784 73 G HN 0.281 nan 8.290 nan 0.000 0.542 74 L N -0.212 121.019 121.223 0.012 0.000 2.395 74 L HA 0.146 4.486 4.340 -0.000 0.000 0.218 74 L C 1.687 178.565 176.870 0.012 0.000 1.130 74 L CA 0.488 55.338 54.840 0.016 0.000 0.826 74 L CB -0.034 42.017 42.059 -0.012 0.000 0.941 74 L HN 0.207 nan 8.230 nan 0.000 0.451 75 T N -2.323 112.238 114.554 0.010 0.000 2.762 75 T HA 0.280 4.630 4.350 -0.000 0.000 0.272 75 T C -0.389 174.363 174.700 0.087 0.000 0.982 75 T CA -0.472 61.664 62.100 0.059 0.000 1.013 75 T CB 1.966 70.856 68.868 0.037 0.000 1.309 75 T HN -0.126 nan 8.240 nan 0.000 0.572 76 S N 1.869 117.663 115.700 0.156 0.000 2.528 76 S HA 0.328 4.798 4.470 -0.000 0.000 0.303 76 S C 1.021 175.681 174.600 0.101 0.000 1.123 76 S CA -0.733 57.515 58.200 0.079 0.000 1.138 76 S CB 0.136 63.338 63.200 0.003 0.000 0.984 76 S HN 0.580 nan 8.310 nan 0.000 0.474 77 L N 4.536 125.795 121.223 0.059 0.000 2.042 77 L HA -0.039 4.301 4.340 -0.000 0.000 0.210 77 L C 1.762 178.618 176.870 -0.024 0.000 1.076 77 L CA 2.002 56.867 54.840 0.041 0.000 0.749 77 L CB -0.589 41.459 42.059 -0.019 0.000 0.893 77 L HN 0.597 nan 8.230 nan 0.000 0.432 78 D N -0.942 119.418 120.400 -0.067 0.000 2.158 78 D HA -0.253 4.387 4.640 -0.000 0.000 0.197 78 D C 2.315 178.532 176.300 -0.137 0.000 0.995 78 D CA 1.239 55.177 54.000 -0.103 0.000 0.846 78 D CB -0.148 40.602 40.800 -0.082 0.000 0.941 78 D HN 0.326 nan 8.370 nan 0.000 0.456 79 R N -0.935 119.442 120.500 -0.206 0.000 2.115 79 R HA -0.116 4.223 4.340 -0.000 0.000 0.226 79 R C 1.371 177.388 176.300 -0.471 0.000 1.100 79 R CA 1.069 56.919 56.100 -0.416 0.000 0.980 79 R CB 0.046 29.934 30.300 -0.685 0.000 0.875 79 R HN 0.249 nan 8.270 nan 0.000 0.445 80 Y N 0.260 120.540 120.300 -0.032 0.000 2.483 80 Y HA 0.150 4.700 4.550 -0.000 0.000 0.258 80 Y C 0.109 176.003 175.900 -0.010 0.000 1.083 80 Y CA -0.328 57.757 58.100 -0.026 0.000 1.283 80 Y CB 0.245 38.688 38.460 -0.029 0.000 1.178 80 Y HN -0.075 nan 8.280 nan 0.000 0.515 81 K N 1.248 121.711 120.400 0.105 0.000 2.436 81 K HA 0.329 4.649 4.320 -0.000 0.000 0.275 81 K C 0.618 177.258 176.600 0.066 0.000 0.999 81 K CA 0.073 56.438 56.287 0.130 0.000 0.980 81 K CB 0.626 33.133 32.500 0.012 0.000 0.919 81 K HN 0.132 nan 8.250 nan 0.000 0.484 82 G N 2.568 111.443 108.800 0.125 0.000 2.527 82 G HA2 0.210 4.170 3.960 -0.000 0.000 0.248 82 G HA3 0.210 4.170 3.960 -0.000 0.000 0.248 82 G C -0.785 174.083 174.900 -0.053 0.000 1.231 82 G CA -0.879 44.175 45.100 -0.076 0.000 0.838 82 G HN 0.654 nan 8.290 nan 0.000 0.570 83 R N 0.358 120.744 120.500 -0.191 0.000 2.502 83 R HA 0.274 4.614 4.340 -0.000 0.000 0.300 83 R C -0.998 175.309 176.300 0.011 0.000 0.984 83 R CA -0.642 55.387 56.100 -0.118 0.000 0.882 83 R CB 1.774 31.849 30.300 -0.374 0.000 1.180 83 R HN 0.522 nan 8.270 nan 0.000 0.444 84 C N 5.170 124.512 119.300 0.070 0.000 2.520 84 C HA 0.182 4.642 4.460 -0.000 0.000 0.369 84 C C 1.021 176.108 174.990 0.161 0.000 1.244 84 C CA -0.367 58.722 59.018 0.119 0.000 1.677 84 C CB -1.201 26.638 27.740 0.164 0.000 2.324 84 C HN 0.983 nan 8.230 nan 0.000 0.557 85 Y N 2.046 122.417 120.300 0.117 0.000 2.444 85 Y HA 0.531 5.081 4.550 -0.000 0.000 0.249 85 Y C 0.192 176.158 175.900 0.109 0.000 1.134 85 Y CA -0.431 57.715 58.100 0.077 0.000 1.261 85 Y CB 0.032 38.592 38.460 0.168 0.000 1.143 85 Y HN 0.520 nan 8.280 nan 0.000 0.523 86 D N 0.475 120.808 120.400 -0.112 0.000 2.769 86 D HA 0.449 5.089 4.640 -0.000 0.000 0.219 86 D C -1.722 174.682 176.300 0.174 0.000 1.245 86 D CA -0.381 53.636 54.000 0.028 0.000 0.801 86 D CB 1.946 42.670 40.800 -0.127 0.000 1.598 86 D HN 0.173 nan 8.370 nan 0.000 0.485 87 I N 2.235 122.930 120.570 0.209 0.000 2.478 87 I HA 0.302 4.472 4.170 -0.000 0.000 0.287 87 I C -0.315 175.932 176.117 0.216 0.000 1.042 87 I CA -0.577 60.837 61.300 0.190 0.000 1.067 87 I CB 1.965 40.011 38.000 0.076 0.000 1.233 87 I HN 0.150 nan 8.210 nan 0.000 0.431 88 E N 7.592 127.949 120.200 0.262 0.000 2.179 88 E HA 0.415 4.764 4.350 -0.000 0.000 0.275 88 E C -2.447 174.292 176.600 0.233 0.000 0.945 88 E CA -1.875 54.664 56.400 0.233 0.000 0.792 88 E CB 1.785 31.641 29.700 0.260 0.000 1.125 88 E HN 0.254 nan 8.360 nan 0.000 0.397 89 P HA 0.068 nan 4.420 nan 0.000 0.277 89 P C -0.531 176.762 177.300 -0.012 0.000 1.240 89 P CA -0.348 62.789 63.100 0.062 0.000 0.798 89 P CB 0.895 32.627 31.700 0.053 0.000 0.979 90 V N 4.793 124.639 119.914 -0.115 0.000 2.383 90 V HA 0.214 4.334 4.120 -0.000 0.000 0.275 90 V C -1.778 174.277 176.094 -0.066 0.000 1.036 90 V CA -1.822 60.438 62.300 -0.066 0.000 0.889 90 V CB 0.697 32.476 31.823 -0.074 0.000 0.985 90 V HN 0.573 nan 8.190 nan 0.000 0.459 91 P HA 0.180 nan 4.420 nan 0.000 0.267 91 P C 0.878 178.163 177.300 -0.026 0.000 1.209 91 P CA 1.013 64.097 63.100 -0.025 0.000 0.763 91 P CB 0.876 32.567 31.700 -0.014 0.000 0.816 92 G N 1.772 110.555 108.800 -0.028 0.000 2.175 92 G HA2 -0.157 3.802 3.960 -0.000 0.000 0.244 92 G HA3 -0.157 3.802 3.960 -0.000 0.000 0.244 92 G C -0.140 174.741 174.900 -0.032 0.000 0.982 92 G CA -0.269 44.818 45.100 -0.022 0.000 0.641 92 G HN 0.571 nan 8.290 nan 0.000 0.527 93 E N 0.070 120.235 120.200 -0.057 0.000 2.248 93 E HA 0.471 4.821 4.350 -0.000 0.000 0.267 93 E C -0.098 176.433 176.600 -0.115 0.000 0.877 93 E CA -0.431 55.922 56.400 -0.079 0.000 0.759 93 E CB 1.568 31.212 29.700 -0.095 0.000 1.182 93 E HN 0.213 nan 8.360 nan 0.000 0.418 94 D N 0.650 120.994 120.400 -0.092 0.000 2.271 94 D HA -0.056 4.583 4.640 -0.000 0.000 0.206 94 D C 0.783 177.009 176.300 -0.123 0.000 0.967 94 D CA 0.474 54.424 54.000 -0.084 0.000 0.867 94 D CB 0.278 41.057 40.800 -0.034 0.000 0.960 94 D HN 0.174 nan 8.370 nan 0.000 0.509 95 N N 0.060 118.678 118.700 -0.138 0.000 2.451 95 N HA 0.099 4.839 4.740 -0.000 0.000 0.271 95 N C -1.267 174.141 175.510 -0.169 0.000 1.410 95 N CA -0.094 52.898 53.050 -0.096 0.000 0.884 95 N CB 0.404 38.903 38.487 0.019 0.000 1.332 95 N HN -0.049 nan 8.380 nan 0.000 0.498 96 Q N 0.376 119.925 119.800 -0.419 0.000 2.353 96 Q HA 0.405 4.744 4.340 -0.000 0.000 0.268 96 Q C -1.547 174.101 176.000 -0.586 0.000 1.045 96 Q CA -0.678 54.946 55.803 -0.298 0.000 0.811 96 Q CB 1.735 30.389 28.738 -0.140 0.000 1.305 96 Q HN 0.233 nan 8.270 nan 0.000 0.447 97 Y N 1.225 121.522 120.300 -0.005 0.000 2.553 97 Y HA 0.453 5.003 4.550 -0.000 0.000 0.347 97 Y C -0.370 175.515 175.900 -0.024 0.000 1.019 97 Y CA -1.130 56.966 58.100 -0.007 0.000 1.032 97 Y CB 1.434 39.882 38.460 -0.020 0.000 1.284 97 Y HN 0.414 nan 8.280 nan 0.000 0.466 98 I N 2.530 123.179 120.570 0.131 0.000 2.304 98 I HA 0.477 4.647 4.170 -0.000 0.000 0.291 98 I C 0.010 176.094 176.117 -0.054 0.000 1.018 98 I CA -0.745 60.538 61.300 -0.029 0.000 1.260 98 I CB 0.545 38.498 38.000 -0.078 0.000 1.390 98 I HN 0.698 nan 8.210 nan 0.000 0.475 99 A N 7.400 130.160 122.820 -0.099 0.000 2.276 99 A HA 0.622 4.942 4.320 -0.000 0.000 0.316 99 A C -1.156 176.332 177.584 -0.159 0.000 1.229 99 A CA -0.376 51.626 52.037 -0.059 0.000 0.851 99 A CB 0.265 19.243 19.000 -0.037 0.000 1.165 99 A HN 0.536 nan 8.150 nan 0.000 0.513 100 Y N 1.679 121.914 120.300 -0.110 0.000 2.326 100 Y HA 0.470 5.019 4.550 -0.000 0.000 0.337 100 Y C 0.175 175.909 175.900 -0.276 0.000 1.023 100 Y CA -0.260 57.706 58.100 -0.223 0.000 1.143 100 Y CB 1.698 39.797 38.460 -0.601 0.000 1.183 100 Y HN 0.393 nan 8.280 nan 0.000 0.485 101 V N 3.056 123.070 119.914 0.166 0.000 2.604 101 V HA 0.785 4.905 4.120 -0.000 0.000 0.305 101 V C -0.345 175.852 176.094 0.172 0.000 1.043 101 V CA -1.100 61.264 62.300 0.106 0.000 0.888 101 V CB 1.639 33.452 31.823 -0.016 0.000 0.995 101 V HN 0.845 nan 8.190 nan 0.000 0.429 102 A N 4.232 127.122 122.820 0.117 0.000 2.304 102 A HA 0.882 5.202 4.320 -0.000 0.000 0.323 102 A C -1.262 176.195 177.584 -0.212 0.000 1.195 102 A CA -0.324 51.740 52.037 0.044 0.000 0.826 102 A CB 0.539 19.593 19.000 0.089 0.000 1.184 102 A HN 0.729 nan 8.150 nan 0.000 0.496 106 D N 1.634 122.116 120.400 0.137 0.000 2.263 106 D HA -0.036 4.604 4.640 -0.000 0.000 0.208 106 D C 2.056 178.391 176.300 0.059 0.000 0.971 106 D CA 1.208 55.291 54.000 0.139 0.000 0.867 106 D CB 0.046 40.980 40.800 0.223 0.000 0.929 106 D HN 0.422 nan 8.370 nan 0.000 0.492 107 L N -0.746 120.417 121.223 -0.100 0.000 2.376 107 L HA -0.012 4.328 4.340 -0.000 0.000 0.219 107 L C 0.185 176.695 176.870 -0.600 0.000 1.133 107 L CA 0.383 54.965 54.840 -0.430 0.000 0.816 107 L CB -0.166 41.459 42.059 -0.724 0.000 0.933 107 L HN -0.090 nan 8.230 nan 0.000 0.449 108 F N -0.402 119.511 119.950 -0.062 0.000 2.450 108 F HA 0.301 4.827 4.527 -0.000 0.000 0.332 108 F C 0.671 176.507 175.800 0.061 0.000 1.093 108 F CA -1.117 56.843 58.000 -0.067 0.000 1.003 108 F CB 0.964 39.752 39.000 -0.353 0.000 1.151 108 F HN -0.187 nan 8.300 nan 0.000 0.474 109 E N 1.811 122.177 120.200 0.278 0.000 2.290 109 E HA 0.107 4.456 4.350 -0.000 0.000 0.277 109 E C -0.762 175.984 176.600 0.243 0.000 1.035 109 E CA -0.552 55.964 56.400 0.194 0.000 0.873 109 E CB 0.541 30.309 29.700 0.113 0.000 1.029 109 E HN 0.508 nan 8.360 nan 0.000 0.419 110 E N 2.454 122.732 120.200 0.130 0.000 2.465 110 E HA 0.141 4.491 4.350 -0.000 0.000 0.260 110 E C 0.877 177.247 176.600 -0.384 0.000 0.980 110 E CA 1.323 57.685 56.400 -0.062 0.000 0.927 110 E CB 0.501 30.164 29.700 -0.061 0.000 0.934 110 E HN 0.807 nan 8.360 nan 0.000 0.459 111 G N 2.577 110.727 108.800 -1.082 0.000 2.155 111 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.257 111 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.257 111 G C 0.312 174.754 174.900 -0.764 0.000 0.983 111 G CA 0.428 44.655 45.100 -1.455 0.000 0.676 111 G HN 0.563 nan 8.290 nan 0.000 0.528 112 S N -0.436 115.073 115.700 -0.319 0.000 2.577 112 S HA 0.536 5.006 4.470 -0.000 0.000 0.294 112 S C 1.480 176.262 174.600 0.303 0.000 1.161 112 S CA 0.131 58.385 58.200 0.090 0.000 1.143 112 S CB 1.270 64.522 63.200 0.086 0.000 0.991 112 S HN 0.578 nan 8.310 nan 0.000 0.475 113 V N 4.787 124.874 119.914 0.289 0.000 2.407 113 V HA -0.128 3.992 4.120 -0.000 0.000 0.248 113 V C 2.573 178.611 176.094 -0.094 0.000 1.055 113 V CA 2.444 64.738 62.300 -0.010 0.000 1.049 113 V CB -1.024 30.507 31.823 -0.486 0.000 0.662 113 V HN 0.839 nan 8.190 nan 0.000 0.455 114 T N 0.091 114.630 114.554 -0.024 0.000 2.665 114 T HA -0.274 4.076 4.350 -0.000 0.000 0.268 114 T C 1.923 176.714 174.700 0.151 0.000 1.035 114 T CA 2.030 64.168 62.100 0.064 0.000 1.151 114 T CB -0.504 68.431 68.868 0.112 0.000 0.862 114 T HN 0.582 nan 8.240 nan 0.000 0.438 115 N N 0.479 119.286 118.700 0.178 0.000 2.120 115 N HA -0.089 4.650 4.740 -0.000 0.000 0.188 115 N C 2.120 177.804 175.510 0.289 0.000 1.024 115 N CA 1.201 54.376 53.050 0.208 0.000 0.852 115 N CB -0.224 38.390 38.487 0.211 0.000 1.003 115 N HN 0.392 nan 8.380 nan 0.000 0.424 116 M N -0.258 119.558 119.600 0.361 0.000 2.080 116 M HA -0.183 4.297 4.480 -0.000 0.000 0.260 116 M C 1.581 178.033 176.300 0.253 0.000 1.068 116 M CA 1.602 57.108 55.300 0.343 0.000 1.109 116 M CB -0.172 32.552 32.600 0.206 0.000 1.342 116 M HN 0.052 nan 8.290 nan 0.000 0.405 117 F N 0.385 120.345 119.950 0.017 0.000 2.134 117 F HA -0.169 4.358 4.527 -0.000 0.000 0.299 117 F C 2.520 178.356 175.800 0.059 0.000 1.097 117 F CA 1.854 59.864 58.000 0.016 0.000 1.264 117 F CB -1.234 37.763 39.000 -0.004 0.000 1.001 117 F HN 0.178 nan 8.300 nan 0.000 0.479 118 T N -1.121 113.587 114.554 0.257 0.000 2.720 118 T HA -0.202 4.148 4.350 -0.000 0.000 0.268 118 T C 2.334 177.102 174.700 0.113 0.000 1.037 118 T CA 1.769 63.968 62.100 0.166 0.000 1.144 118 T CB -0.496 68.452 68.868 0.133 0.000 0.864 118 T HN 0.157 nan 8.240 nan 0.000 0.444 119 S N 0.730 116.483 115.700 0.089 0.000 2.338 119 S HA 0.075 4.545 4.470 -0.000 0.000 0.218 119 S C 2.069 176.677 174.600 0.013 0.000 1.032 119 S CA 0.876 59.081 58.200 0.010 0.000 0.999 119 S CB -0.331 62.814 63.200 -0.091 0.000 0.905 119 S HN 0.400 nan 8.310 nan 0.000 0.439 120 I N 1.373 121.935 120.570 -0.014 0.000 2.439 120 I HA -0.065 4.105 4.170 -0.000 0.000 0.251 120 I C 1.616 177.876 176.117 0.238 0.000 1.139 120 I CA 0.956 62.267 61.300 0.018 0.000 1.438 120 I CB -0.048 37.866 38.000 -0.142 0.000 1.085 120 I HN 0.262 nan 8.210 nan 0.000 0.427 121 V N -3.025 116.992 119.914 0.172 0.000 3.253 121 V HA 0.473 4.593 4.120 -0.000 0.000 0.320 121 V C 1.599 177.827 176.094 0.224 0.000 1.442 121 V CA 0.278 62.758 62.300 0.298 0.000 1.097 121 V CB -0.363 31.460 31.823 0.000 0.000 1.008 121 V HN 0.221 nan 8.190 nan 0.000 0.463 122 G N 1.847 110.761 108.800 0.189 0.000 2.453 122 G HA2 -0.170 3.789 3.960 -0.000 0.000 0.215 122 G HA3 -0.170 3.789 3.960 -0.000 0.000 0.215 122 G C 1.196 176.207 174.900 0.184 0.000 1.201 122 G CA 1.432 46.626 45.100 0.158 0.000 0.784 122 G HN 0.550 nan 8.290 nan 0.000 0.545 123 N N -0.588 118.241 118.700 0.215 0.000 2.297 123 N HA 0.011 4.751 4.740 -0.000 0.000 0.208 123 N C 2.246 177.969 175.510 0.355 0.000 1.176 123 N CA 0.851 54.054 53.050 0.255 0.000 0.882 123 N CB 0.419 39.057 38.487 0.251 0.000 1.134 123 N HN 0.277 nan 8.380 nan 0.000 0.489 124 V N -1.134 118.929 119.914 0.248 0.000 2.594 124 V HA -0.055 4.065 4.120 -0.000 0.000 0.253 124 V C 1.664 177.805 176.094 0.079 0.000 1.069 124 V CA 1.270 63.584 62.300 0.022 0.000 1.082 124 V CB -1.187 30.419 31.823 -0.361 0.000 0.680 124 V HN -0.070 nan 8.190 nan 0.000 0.469 125 F N 2.496 122.508 119.950 0.103 0.000 2.451 125 F HA 0.263 4.790 4.527 -0.000 0.000 0.299 125 F C 2.315 178.244 175.800 0.215 0.000 1.101 125 F CA 1.179 59.261 58.000 0.136 0.000 1.436 125 F CB -0.685 38.379 39.000 0.106 0.000 1.074 125 F HN 0.344 nan 8.300 nan 0.000 0.553 126 G N -1.693 107.321 108.800 0.357 0.000 3.233 126 G HA2 0.046 4.006 3.960 -0.000 0.000 0.234 126 G HA3 0.046 4.006 3.960 -0.000 0.000 0.234 126 G C 0.061 175.041 174.900 0.132 0.000 1.137 126 G CA -0.219 45.010 45.100 0.215 0.000 0.763 126 G HN 0.028 nan 8.290 nan 0.000 0.549 127 F N 1.491 121.451 119.950 0.017 0.000 2.543 127 F HA 0.231 4.758 4.527 -0.000 0.000 0.375 127 F C 1.750 177.543 175.800 -0.012 0.000 1.075 127 F CA -0.010 57.979 58.000 -0.018 0.000 1.225 127 F CB 1.181 40.138 39.000 -0.071 0.000 1.099 127 F HN -0.051 nan 8.300 nan 0.000 0.561 128 K N 2.751 123.151 120.400 -0.000 0.000 2.160 128 K HA -0.207 4.113 4.320 -0.000 0.000 0.206 128 K C 1.948 178.586 176.600 0.063 0.000 1.047 128 K CA 1.385 57.677 56.287 0.009 0.000 0.930 128 K CB -0.150 32.324 32.500 -0.045 0.000 0.720 128 K HN 0.722 nan 8.250 nan 0.000 0.450 129 A N 1.124 124.019 122.820 0.125 0.000 2.168 129 A HA 0.006 4.326 4.320 -0.000 0.000 0.215 129 A C 0.804 178.425 177.584 0.062 0.000 1.152 129 A CA 0.504 52.601 52.037 0.101 0.000 0.716 129 A CB -0.487 18.596 19.000 0.138 0.000 0.794 129 A HN 0.260 nan 8.150 nan 0.000 0.465 130 L N -5.808 115.458 121.223 0.071 0.000 2.333 130 L HA 0.679 5.019 4.340 -0.000 0.000 0.269 130 L C 0.598 177.503 176.870 0.059 0.000 1.010 130 L CA -0.795 54.069 54.840 0.040 0.000 0.818 130 L CB 1.358 43.413 42.059 -0.008 0.000 1.306 130 L HN -0.033 nan 8.230 nan 0.000 0.430 131 R N 1.344 121.878 120.500 0.057 0.000 2.206 131 R HA 0.655 4.995 4.340 -0.000 0.000 0.198 131 R C -0.029 176.324 176.300 0.088 0.000 0.986 131 R CA 0.612 56.746 56.100 0.057 0.000 1.029 131 R CB 0.494 30.821 30.300 0.046 0.000 0.966 131 R HN 0.851 nan 8.270 nan 0.000 0.487 132 A N 0.789 123.687 122.820 0.131 0.000 2.605 132 A HA 0.598 4.918 4.320 -0.000 0.000 0.294 132 A C -2.096 175.592 177.584 0.174 0.000 1.062 132 A CA -0.627 51.574 52.037 0.274 0.000 0.682 132 A CB 1.664 20.799 19.000 0.226 0.000 1.278 132 A HN 0.040 nan 8.150 nan 0.000 0.410 133 L N 0.609 121.934 121.223 0.169 0.000 2.513 133 L HA 0.788 5.128 4.340 -0.000 0.000 0.261 133 L C -0.671 176.150 176.870 -0.082 0.000 0.945 133 L CA -0.104 54.651 54.840 -0.142 0.000 0.848 133 L CB 1.983 43.694 42.059 -0.581 0.000 1.334 133 L HN 0.832 nan 8.230 nan 0.000 0.407 134 R N 4.072 124.599 120.500 0.045 0.000 2.514 134 R HA 0.538 4.878 4.340 -0.000 0.000 0.296 134 R C -1.778 174.592 176.300 0.118 0.000 1.012 134 R CA -0.894 55.299 56.100 0.154 0.000 0.897 134 R CB 1.665 32.030 30.300 0.109 0.000 1.184 134 R HN 0.661 nan 8.270 nan 0.000 0.440 135 L N 4.668 125.991 121.223 0.166 0.000 2.325 135 L HA 0.197 4.537 4.340 -0.000 0.000 0.284 135 L C 0.810 177.587 176.870 -0.155 0.000 1.089 135 L CA 0.625 55.372 54.840 -0.154 0.000 0.836 135 L CB 0.992 42.957 42.059 -0.156 0.000 1.184 135 L HN 0.704 nan 8.230 nan 0.000 0.444 136 E N 2.256 122.265 120.200 -0.319 0.000 2.102 136 E HA 0.082 4.432 4.350 -0.000 0.000 0.190 136 E C -0.188 176.224 176.600 -0.313 0.000 0.971 136 E CA 0.556 56.742 56.400 -0.356 0.000 0.821 136 E CB 0.398 29.633 29.700 -0.776 0.000 0.777 136 E HN 0.688 nan 8.360 nan 0.000 0.460 137 D N -1.169 119.038 120.400 -0.321 0.000 2.622 137 D HA 0.432 5.072 4.640 -0.000 0.000 0.255 137 D C -1.497 174.848 176.300 0.076 0.000 1.246 137 D CA -0.496 53.479 54.000 -0.042 0.000 0.795 137 D CB 1.547 42.392 40.800 0.075 0.000 1.369 137 D HN -0.153 nan 8.370 nan 0.000 0.425 138 L N 1.355 122.633 121.223 0.092 0.000 2.436 138 L HA 0.464 4.804 4.340 -0.000 0.000 0.268 138 L C -0.370 176.385 176.870 -0.192 0.000 0.974 138 L CA -0.865 53.915 54.840 -0.101 0.000 0.826 138 L CB 2.248 44.202 42.059 -0.175 0.000 1.291 138 L HN 0.183 nan 8.230 nan 0.000 0.406 139 R N 4.485 124.650 120.500 -0.559 0.000 2.205 139 R HA 0.363 4.703 4.340 -0.000 0.000 0.342 139 R C -0.871 175.212 176.300 -0.360 0.000 1.058 139 R CA -0.619 55.183 56.100 -0.496 0.000 0.904 139 R CB 0.382 30.240 30.300 -0.737 0.000 1.089 139 R HN 0.419 nan 8.270 nan 0.000 0.471 140 I N 7.705 128.074 120.570 -0.335 0.000 2.301 140 I HA 0.265 4.435 4.170 -0.000 0.000 0.292 140 I C -1.943 174.030 176.117 -0.239 0.000 1.046 140 I CA -2.921 58.216 61.300 -0.270 0.000 1.282 140 I CB 0.871 38.691 38.000 -0.300 0.000 1.409 140 I HN 0.249 nan 8.210 nan 0.000 0.484 141 P HA 0.251 nan 4.420 nan 0.000 0.274 141 P C -2.265 175.021 177.300 -0.023 0.000 1.231 141 P CA -1.559 61.493 63.100 -0.079 0.000 0.790 141 P CB 0.470 32.150 31.700 -0.034 0.000 0.951 142 P HA -0.218 nan 4.420 nan 0.000 0.217 142 P C 1.506 178.849 177.300 0.072 0.000 1.151 142 P CA 2.310 65.427 63.100 0.027 0.000 0.849 142 P CB -0.486 31.235 31.700 0.035 0.000 0.787 143 A N -2.110 120.759 122.820 0.081 0.000 1.978 143 A HA -0.233 4.087 4.320 -0.000 0.000 0.220 143 A C 2.202 179.899 177.584 0.188 0.000 1.170 143 A CA 1.481 53.584 52.037 0.110 0.000 0.636 143 A CB -1.648 17.409 19.000 0.095 0.000 0.810 143 A HN 0.171 nan 8.150 nan 0.000 0.448 144 Y N -0.209 120.119 120.300 0.047 0.000 2.301 144 Y HA 0.014 4.564 4.550 -0.000 0.000 0.295 144 Y C 2.369 178.406 175.900 0.229 0.000 1.119 144 Y CA 0.883 59.045 58.100 0.103 0.000 1.162 144 Y CB -0.237 38.245 38.460 0.037 0.000 1.046 144 Y HN 0.044 nan 8.280 nan 0.000 0.538 145 V N 0.864 120.857 119.914 0.132 0.000 2.282 145 V HA -0.353 3.767 4.120 -0.000 0.000 0.249 145 V C 2.273 178.475 176.094 0.180 0.000 1.057 145 V CA 2.174 64.541 62.300 0.113 0.000 1.032 145 V CB -0.553 31.320 31.823 0.083 0.000 0.645 145 V HN 0.254 nan 8.190 nan 0.000 0.447 146 K N 0.510 120.983 120.400 0.121 0.000 2.360 146 K HA -0.108 4.212 4.320 -0.000 0.000 0.201 146 K C 2.096 178.722 176.600 0.044 0.000 1.046 146 K CA 1.602 57.941 56.287 0.088 0.000 0.945 146 K CB -0.801 31.740 32.500 0.068 0.000 0.750 146 K HN 0.774 nan 8.250 nan 0.000 0.464 147 T N -2.048 112.502 114.554 -0.006 0.000 3.113 147 T HA 0.061 4.411 4.350 -0.000 0.000 0.256 147 T C 0.528 175.025 174.700 -0.339 0.000 1.131 147 T CA -0.076 61.909 62.100 -0.191 0.000 1.074 147 T CB -0.228 68.445 68.868 -0.326 0.000 0.944 147 T HN -0.155 nan 8.240 nan 0.000 0.516 148 F N 0.268 120.131 119.950 -0.144 0.000 2.422 148 F HA 0.539 5.066 4.527 -0.000 0.000 0.333 148 F C 1.345 177.102 175.800 -0.072 0.000 1.095 148 F CA -1.301 56.627 58.000 -0.121 0.000 1.038 148 F CB 1.642 40.559 39.000 -0.137 0.000 1.156 148 F HN -0.271 nan 8.300 nan 0.000 0.483 149 V N 2.001 121.972 119.914 0.095 0.000 2.343 149 V HA 0.021 4.141 4.120 -0.000 0.000 0.247 149 V C 1.332 177.451 176.094 0.042 0.000 1.051 149 V CA 1.534 63.857 62.300 0.038 0.000 1.036 149 V CB -1.323 30.502 31.823 0.004 0.000 0.654 149 V HN 1.151 nan 8.190 nan 0.000 0.451 153 H N -0.755 118.290 119.070 -0.042 0.000 2.089 153 H HA 0.484 5.040 4.556 -0.000 0.000 0.206 153 H C 1.045 176.361 175.328 -0.020 0.000 0.872 153 H CA 1.185 57.218 56.048 -0.024 0.000 0.979 153 H CB 0.497 30.248 29.762 -0.019 0.000 1.266 153 H HN 0.295 nan 8.280 nan 0.000 0.389 154 G N 1.253 110.103 108.800 0.083 0.000 2.746 154 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.685 154 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.685 154 G C 0.835 175.776 174.900 0.069 0.000 1.350 154 G CA -0.048 45.073 45.100 0.035 0.000 0.837 154 G HN 0.205 nan 8.290 nan 0.000 0.564 155 I N 0.245 120.844 120.570 0.048 0.000 2.151 155 I HA -0.278 3.892 4.170 -0.000 0.000 0.243 155 I C 2.986 179.154 176.117 0.084 0.000 1.080 155 I CA 2.480 63.820 61.300 0.066 0.000 1.339 155 I CB -0.357 37.670 38.000 0.045 0.000 1.039 155 I HN 0.668 nan 8.210 nan 0.000 0.409 156 Q N 0.134 119.982 119.800 0.080 0.000 2.020 156 Q HA -0.147 4.193 4.340 -0.000 0.000 0.202 156 Q C 2.335 178.401 176.000 0.111 0.000 0.982 156 Q CA 1.647 57.511 55.803 0.101 0.000 0.838 156 Q CB -0.371 28.417 28.738 0.083 0.000 0.899 156 Q HN 0.339 nan 8.270 nan 0.000 0.423 157 V N 0.841 120.814 119.914 0.099 0.000 2.343 157 V HA -0.277 3.842 4.120 -0.000 0.000 0.247 157 V C 2.203 178.337 176.094 0.067 0.000 1.051 157 V CA 2.071 64.429 62.300 0.096 0.000 1.036 157 V CB -0.617 31.282 31.823 0.128 0.000 0.654 157 V HN 0.460 nan 8.190 nan 0.000 0.451 158 E N 0.441 120.686 120.200 0.075 0.000 2.038 158 E HA -0.272 4.078 4.350 -0.000 0.000 0.195 158 E C 2.457 179.082 176.600 0.041 0.000 1.000 158 E CA 1.624 58.058 56.400 0.057 0.000 0.803 158 E CB -0.134 29.635 29.700 0.115 0.000 0.750 158 E HN 0.503 nan 8.360 nan 0.000 0.448 159 R N 0.296 120.820 120.500 0.039 0.000 2.091 159 R HA -0.144 4.196 4.340 -0.000 0.000 0.238 159 R C 2.086 178.294 176.300 -0.154 0.000 1.136 159 R CA 1.613 57.666 56.100 -0.080 0.000 0.959 159 R CB -0.262 30.042 30.300 0.006 0.000 0.856 159 R HN 0.315 nan 8.270 nan 0.000 0.437 160 D N 0.453 120.895 120.400 0.069 0.000 2.144 160 D HA -0.130 4.509 4.640 -0.000 0.000 0.199 160 D C 1.711 178.039 176.300 0.047 0.000 0.984 160 D CA 1.277 55.362 54.000 0.143 0.000 0.834 160 D CB -0.019 40.879 40.800 0.163 0.000 0.955 160 D HN 0.214 nan 8.370 nan 0.000 0.465 161 K N 0.018 120.422 120.400 0.007 0.000 2.103 161 K HA 0.039 4.359 4.320 -0.000 0.000 0.204 161 K C 2.136 178.724 176.600 -0.019 0.000 1.052 161 K CA 0.472 56.752 56.287 -0.012 0.000 0.945 161 K CB 0.041 32.507 32.500 -0.056 0.000 0.722 161 K HN 0.152 nan 8.250 nan 0.000 0.443 162 L N 0.390 121.588 121.223 -0.042 0.000 2.418 162 L HA 0.003 4.343 4.340 -0.000 0.000 0.218 162 L C 0.581 177.374 176.870 -0.128 0.000 1.125 162 L CA 0.111 54.917 54.840 -0.057 0.000 0.835 162 L CB -0.470 41.572 42.059 -0.029 0.000 0.953 162 L HN 0.393 nan 8.230 nan 0.000 0.454 163 N N 1.288 119.868 118.700 -0.200 0.000 2.758 163 N HA -0.179 4.561 4.740 -0.000 0.000 0.248 163 N C -0.532 174.713 175.510 -0.441 0.000 1.076 163 N CA 0.377 53.278 53.050 -0.248 0.000 0.696 163 N CB -0.379 38.087 38.487 -0.035 0.000 0.979 163 N HN 0.371 nan 8.380 nan 0.000 0.550 164 K N 1.549 121.508 120.400 -0.734 0.000 2.450 164 K HA 0.383 4.703 4.320 -0.000 0.000 0.257 164 K C -1.448 174.767 176.600 -0.643 0.000 0.953 164 K CA -0.340 55.647 56.287 -0.499 0.000 0.844 164 K CB 1.041 33.387 32.500 -0.257 0.000 1.103 164 K HN 0.111 nan 8.250 nan 0.000 0.429 165 Y N -0.639 119.671 120.300 0.016 0.000 2.562 165 Y HA 0.445 4.995 4.550 -0.000 0.000 0.345 165 Y C 1.039 176.948 175.900 0.016 0.000 1.045 165 Y CA -0.763 57.349 58.100 0.020 0.000 1.028 165 Y CB 2.500 40.971 38.460 0.018 0.000 1.297 165 Y HN 0.746 nan 8.280 nan 0.000 0.463 166 G N 1.287 110.200 108.800 0.187 0.000 2.175 166 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.244 166 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.244 166 G C -0.219 174.724 174.900 0.072 0.000 0.982 166 G CA 0.161 45.327 45.100 0.111 0.000 0.641 166 G HN 0.902 nan 8.290 nan 0.000 0.527 167 R N -1.277 119.262 120.500 0.066 0.000 2.712 167 R HA 0.631 4.971 4.340 -0.000 0.000 0.272 167 R C 0.392 176.718 176.300 0.044 0.000 1.032 167 R CA -0.529 55.599 56.100 0.048 0.000 0.874 167 R CB 0.148 30.468 30.300 0.033 0.000 1.256 167 R HN 0.981 nan 8.270 nan 0.000 0.468 168 G N 1.281 110.107 108.800 0.044 0.000 2.554 168 G HA2 0.324 4.284 3.960 -0.000 0.000 0.238 168 G HA3 0.324 4.284 3.960 -0.000 0.000 0.238 168 G C -0.126 174.791 174.900 0.028 0.000 1.259 168 G CA -0.770 44.350 45.100 0.034 0.000 0.843 168 G HN 0.372 nan 8.290 nan 0.000 0.582 169 L N 0.109 121.348 121.223 0.028 0.000 2.399 169 L HA 0.440 4.780 4.340 -0.000 0.000 0.266 169 L C 0.201 177.117 176.870 0.076 0.000 1.114 169 L CA -0.513 54.359 54.840 0.054 0.000 0.804 169 L CB 1.090 43.242 42.059 0.154 0.000 1.146 169 L HN 0.230 nan 8.230 nan 0.000 0.451 170 L N 1.179 122.446 121.223 0.074 0.000 2.341 170 L HA 0.718 5.058 4.340 -0.000 0.000 0.278 170 L C 0.191 177.143 176.870 0.136 0.000 1.005 170 L CA -0.262 54.649 54.840 0.119 0.000 0.818 170 L CB 1.861 43.970 42.059 0.084 0.000 1.259 170 L HN 0.714 nan 8.230 nan 0.000 0.418 171 G N 0.815 109.708 108.800 0.155 0.000 3.015 171 G HA2 0.650 4.610 3.960 -0.000 0.000 0.281 171 G HA3 0.650 4.610 3.960 -0.000 0.000 0.281 171 G C -1.955 172.986 174.900 0.068 0.000 1.386 171 G CA -0.514 44.644 45.100 0.096 0.000 0.959 171 G HN 0.679 nan 8.290 nan 0.000 0.522 172 C N -0.091 119.194 119.300 -0.025 0.000 3.094 172 C HA 0.648 5.108 4.460 -0.000 0.000 0.414 172 C C -0.370 174.584 174.990 -0.060 0.000 0.993 172 C CA -0.459 58.560 59.018 0.001 0.000 1.217 172 C CB 0.488 28.247 27.740 0.030 0.000 1.603 172 C HN 0.845 nan 8.230 nan 0.000 0.564 173 T N 7.137 121.680 114.554 -0.019 0.000 2.780 173 T HA 0.408 4.758 4.350 -0.000 0.000 0.294 173 T C 0.480 175.175 174.700 -0.007 0.000 0.949 173 T CA -0.287 61.808 62.100 -0.008 0.000 1.074 173 T CB 0.385 69.281 68.868 0.046 0.000 0.910 173 T HN 0.574 nan 8.240 nan 0.000 0.501 174 I N 4.104 124.651 120.570 -0.038 0.000 2.648 174 I HA 0.173 4.342 4.170 -0.000 0.000 0.284 174 I C 0.677 176.766 176.117 -0.046 0.000 1.153 174 I CA 0.184 61.400 61.300 -0.141 0.000 1.426 174 I CB -0.135 37.541 38.000 -0.540 0.000 1.381 174 I HN 0.433 nan 8.210 nan 0.000 0.571 175 K N 6.793 127.169 120.400 -0.038 0.000 2.385 175 K HA 0.568 4.888 4.320 -0.000 0.000 0.248 175 K C -2.400 174.204 176.600 0.007 0.000 0.955 175 K CA -1.696 54.600 56.287 0.015 0.000 0.816 175 K CB 1.558 34.079 32.500 0.036 0.000 1.250 175 K HN 0.288 nan 8.250 nan 0.000 0.434 176 P HA 0.122 nan 4.420 nan 0.000 0.270 176 P C 0.271 177.601 177.300 0.050 0.000 1.223 176 P CA -0.125 62.989 63.100 0.023 0.000 0.785 176 P CB 0.845 32.541 31.700 -0.007 0.000 0.923 177 K N 0.346 120.774 120.400 0.047 0.000 2.020 177 K HA -0.088 4.231 4.320 -0.000 0.000 0.212 177 K C 0.753 177.414 176.600 0.103 0.000 1.050 177 K CA 1.292 57.627 56.287 0.080 0.000 0.929 177 K CB -0.313 32.217 32.500 0.050 0.000 0.714 177 K HN 0.401 nan 8.250 nan 0.000 0.443 178 L N -1.999 119.214 121.223 -0.016 0.000 2.333 178 L HA 0.440 4.780 4.340 -0.000 0.000 0.263 178 L C 0.694 177.262 176.870 -0.502 0.000 1.014 178 L CA -0.386 54.326 54.840 -0.213 0.000 0.820 178 L CB 2.266 44.226 42.059 -0.166 0.000 1.352 178 L HN 0.450 nan 8.230 nan 0.000 0.421 179 G N 1.206 109.290 108.800 -1.193 0.000 2.231 179 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.206 179 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.206 179 G C -0.220 174.501 174.900 -0.298 0.000 0.996 179 G CA -0.606 43.998 45.100 -0.826 0.000 0.645 179 G HN 0.314 nan 8.290 nan 0.000 0.498 180 L N 2.506 123.698 121.223 -0.051 0.000 2.350 180 L HA 0.567 4.906 4.340 -0.000 0.000 0.275 180 L C 1.480 178.533 176.870 0.305 0.000 1.099 180 L CA -0.118 54.822 54.840 0.167 0.000 0.808 180 L CB 1.471 43.694 42.059 0.275 0.000 1.149 180 L HN 0.440 nan 8.230 nan 0.000 0.442 181 S N 1.675 117.500 115.700 0.207 0.000 2.600 181 S HA 0.278 4.748 4.470 -0.000 0.000 0.265 181 S C 1.104 175.797 174.600 0.156 0.000 1.325 181 S CA -0.137 58.168 58.200 0.176 0.000 1.002 181 S CB 1.504 64.752 63.200 0.081 0.000 0.921 181 S HN 0.706 nan 8.310 nan 0.000 0.554 182 A N 1.516 124.405 122.820 0.115 0.000 1.883 182 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 182 A C 2.118 179.666 177.584 -0.060 0.000 1.186 182 A CA 2.154 54.282 52.037 0.151 0.000 0.624 182 A CB -1.112 18.087 19.000 0.331 0.000 0.822 182 A HN 0.933 nan 8.150 nan 0.000 0.444 183 K N 0.199 120.326 120.400 -0.455 0.000 2.057 183 K HA -0.124 4.196 4.320 -0.000 0.000 0.207 183 K C 1.667 178.078 176.600 -0.315 0.000 1.049 183 K CA 1.880 57.647 56.287 -0.867 0.000 0.931 183 K CB -0.299 31.724 32.500 -0.794 0.000 0.714 183 K HN 0.430 nan 8.250 nan 0.000 0.440 184 N N -0.458 118.173 118.700 -0.115 0.000 2.244 184 N HA -0.148 4.592 4.740 -0.000 0.000 0.183 184 N C 1.540 177.078 175.510 0.047 0.000 1.016 184 N CA 1.003 54.042 53.050 -0.017 0.000 0.866 184 N CB -0.362 38.137 38.487 0.020 0.000 0.980 184 N HN 0.243 nan 8.380 nan 0.000 0.430 185 Y N 1.358 121.649 120.300 -0.014 0.000 2.097 185 Y HA -0.148 4.402 4.550 -0.000 0.000 0.282 185 Y C 2.478 178.381 175.900 0.006 0.000 1.152 185 Y CA 1.959 60.077 58.100 0.029 0.000 1.136 185 Y CB -0.698 37.807 38.460 0.075 0.000 0.975 185 Y HN 0.077 nan 8.280 nan 0.000 0.498 186 G N -0.650 108.242 108.800 0.155 0.000 2.422 186 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.218 186 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.218 186 G C 1.745 176.691 174.900 0.077 0.000 1.146 186 G CA 0.854 46.018 45.100 0.108 0.000 0.769 186 G HN 0.359 nan 8.290 nan 0.000 0.547 187 R N 0.603 121.123 120.500 0.033 0.000 2.083 187 R HA 0.001 4.341 4.340 -0.000 0.000 0.237 187 R C 2.809 179.149 176.300 0.067 0.000 1.137 187 R CA 1.660 57.801 56.100 0.069 0.000 0.951 187 R CB -0.476 29.833 30.300 0.016 0.000 0.851 187 R HN 0.250 nan 8.270 nan 0.000 0.434 188 A N 0.394 123.209 122.820 -0.008 0.000 1.902 188 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 188 A C 2.305 179.858 177.584 -0.050 0.000 1.181 188 A CA 1.652 53.657 52.037 -0.054 0.000 0.623 188 A CB -0.566 18.355 19.000 -0.132 0.000 0.818 188 A HN 0.251 nan 8.150 nan 0.000 0.443 189 V N -1.137 118.755 119.914 -0.037 0.000 2.295 189 V HA -0.285 3.835 4.120 -0.000 0.000 0.246 189 V C 2.381 178.506 176.094 0.050 0.000 1.049 189 V CA 2.165 64.469 62.300 0.007 0.000 1.024 189 V CB -1.084 30.732 31.823 -0.010 0.000 0.648 189 V HN 0.742 nan 8.190 nan 0.000 0.447 190 Y N 1.577 121.867 120.300 -0.016 0.000 2.114 190 Y HA -0.244 4.306 4.550 -0.000 0.000 0.282 190 Y C 2.563 178.459 175.900 -0.007 0.000 1.165 190 Y CA 2.041 60.138 58.100 -0.004 0.000 1.148 190 Y CB -0.411 38.053 38.460 0.007 0.000 0.972 190 Y HN 0.285 nan 8.280 nan 0.000 0.504 191 E N -0.441 119.552 120.200 -0.345 0.000 2.110 191 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 191 E C 2.491 178.934 176.600 -0.263 0.000 0.988 191 E CA 1.372 57.523 56.400 -0.414 0.000 0.804 191 E CB -0.884 28.705 29.700 -0.186 0.000 0.745 191 E HN 0.556 nan 8.360 nan 0.000 0.458 192 C N 0.754 119.963 119.300 -0.150 0.000 2.436 192 C HA -0.082 4.378 4.460 -0.000 0.000 0.277 192 C C 2.882 177.808 174.990 -0.107 0.000 1.241 192 C CA 0.408 59.367 59.018 -0.100 0.000 1.721 192 C CB -1.156 26.553 27.740 -0.051 0.000 2.043 192 C HN 0.361 nan 8.230 nan 0.000 0.472 193 L N 1.204 122.372 121.223 -0.093 0.000 2.083 193 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 193 L C 2.892 179.704 176.870 -0.097 0.000 1.083 193 L CA 1.730 56.527 54.840 -0.071 0.000 0.752 193 L CB -0.710 41.340 42.059 -0.015 0.000 0.899 193 L HN 0.499 nan 8.230 nan 0.000 0.433 194 R N 0.319 120.711 120.500 -0.180 0.000 2.189 194 R HA -0.044 4.296 4.340 -0.000 0.000 0.218 194 R C 1.933 178.153 176.300 -0.133 0.000 1.074 194 R CA 1.224 57.221 56.100 -0.171 0.000 0.991 194 R CB -0.661 29.423 30.300 -0.359 0.000 0.883 194 R HN 0.228 nan 8.270 nan 0.000 0.457 195 G N -0.509 108.206 108.800 -0.142 0.000 2.813 195 G HA2 0.227 4.187 3.960 -0.000 0.000 0.209 195 G HA3 0.227 4.187 3.960 -0.000 0.000 0.209 195 G C 0.910 175.760 174.900 -0.083 0.000 1.150 195 G CA 0.334 45.367 45.100 -0.110 0.000 0.785 195 G HN 0.588 nan 8.290 nan 0.000 0.535 196 G N -0.827 107.927 108.800 -0.078 0.000 2.370 196 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.174 196 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.174 196 G C 0.270 175.128 174.900 -0.070 0.000 1.002 196 G CA -0.384 44.677 45.100 -0.065 0.000 0.730 196 G HN 0.302 nan 8.290 nan 0.000 0.497 197 L N 1.488 122.667 121.223 -0.072 0.000 2.426 197 L HA 0.315 4.655 4.340 -0.000 0.000 0.271 197 L C 1.083 177.877 176.870 -0.126 0.000 1.169 197 L CA -0.548 54.251 54.840 -0.067 0.000 0.836 197 L CB 0.581 42.618 42.059 -0.037 0.000 1.112 197 L HN 0.024 nan 8.230 nan 0.000 0.465 198 D N 1.649 121.932 120.400 -0.196 0.000 2.162 198 D HA 0.016 4.656 4.640 -0.000 0.000 0.203 198 D C -0.052 175.875 176.300 -0.622 0.000 0.967 198 D CA 1.580 55.301 54.000 -0.464 0.000 0.840 198 D CB 0.257 40.675 40.800 -0.636 0.000 0.972 198 D HN 0.155 nan 8.370 nan 0.000 0.482 199 F N -0.156 119.754 119.950 -0.065 0.000 2.588 199 F HA 0.312 4.838 4.527 -0.000 0.000 0.314 199 F C 0.679 176.322 175.800 -0.261 0.000 1.069 199 F CA -1.007 56.886 58.000 -0.178 0.000 0.931 199 F CB 1.795 40.634 39.000 -0.268 0.000 1.260 199 F HN -0.333 nan 8.300 nan 0.000 0.465 203 D N 1.096 121.623 120.400 0.212 0.000 2.382 203 D HA -0.016 4.623 4.640 -0.000 0.000 0.240 203 D C 1.546 177.835 176.300 -0.018 0.000 1.146 203 D CA 0.042 54.095 54.000 0.088 0.000 0.897 203 D CB 1.036 41.902 40.800 0.109 0.000 1.197 203 D HN 0.415 nan 8.370 nan 0.000 0.432 204 E N 2.258 122.324 120.200 -0.222 0.000 2.171 204 E HA -0.265 4.084 4.350 -0.000 0.000 0.197 204 E C 0.734 177.230 176.600 -0.174 0.000 0.997 204 E CA 1.269 57.426 56.400 -0.405 0.000 0.810 204 E CB -0.369 28.732 29.700 -0.998 0.000 0.738 204 E HN 0.488 nan 8.360 nan 0.000 0.467 205 N N 0.987 119.639 118.700 -0.081 0.000 2.336 205 N HA -0.002 4.738 4.740 -0.000 0.000 0.189 205 N C 0.150 175.693 175.510 0.055 0.000 1.113 205 N CA -0.026 53.016 53.050 -0.013 0.000 0.858 205 N CB 0.031 38.520 38.487 0.004 0.000 0.970 205 N HN -0.045 nan 8.380 nan 0.000 0.471 206 V N 2.025 121.987 119.914 0.079 0.000 2.381 206 V HA 0.138 4.258 4.120 -0.000 0.000 0.257 206 V C 0.356 176.492 176.094 0.070 0.000 1.057 206 V CA -0.062 62.305 62.300 0.112 0.000 1.013 206 V CB -0.655 31.251 31.823 0.137 0.000 1.069 206 V HN 0.315 nan 8.190 nan 0.000 0.484 207 N N 2.579 121.303 118.700 0.040 0.000 2.871 207 N HA 0.237 4.977 4.740 -0.000 0.000 0.204 207 N C -0.114 175.416 175.510 0.033 0.000 1.233 207 N CA -0.297 52.770 53.050 0.027 0.000 1.124 207 N CB 0.553 39.033 38.487 -0.011 0.000 1.414 207 N HN 0.505 nan 8.380 nan 0.000 0.511 208 S N 0.208 115.903 115.700 -0.009 0.000 2.677 208 S HA 0.453 4.922 4.470 -0.000 0.000 0.283 208 S C -1.798 172.719 174.600 -0.137 0.000 1.159 208 S CA -0.426 57.768 58.200 -0.009 0.000 1.001 208 S CB 1.252 64.564 63.200 0.186 0.000 1.032 208 S HN 0.246 nan 8.310 nan 0.000 0.487 209 Q N 3.427 123.026 119.800 -0.336 0.000 2.495 209 Q HA 0.483 4.823 4.340 -0.000 0.000 0.287 209 Q C -2.080 173.650 176.000 -0.450 0.000 1.078 209 Q CA -1.839 53.694 55.803 -0.451 0.000 0.793 209 Q CB 1.774 30.040 28.738 -0.786 0.000 1.459 209 Q HN 0.269 nan 8.270 nan 0.000 0.422 210 P HA -0.216 nan 4.420 nan 0.000 0.216 210 P C 0.646 177.893 177.300 -0.089 0.000 1.154 210 P CA 1.518 64.554 63.100 -0.107 0.000 0.865 210 P CB 0.014 31.723 31.700 0.014 0.000 0.789 211 F N -2.524 117.436 119.950 0.016 0.000 2.407 211 F HA 0.213 4.740 4.527 -0.000 0.000 0.299 211 F C 1.026 176.837 175.800 0.019 0.000 1.097 211 F CA 0.299 58.311 58.000 0.020 0.000 1.422 211 F CB -0.617 38.399 39.000 0.027 0.000 1.067 211 F HN -0.167 nan 8.300 nan 0.000 0.539 212 M N 1.318 120.654 119.600 -0.440 0.000 2.331 212 M HA 0.333 4.813 4.480 -0.000 0.000 0.228 212 M C -1.413 174.714 176.300 -0.287 0.000 0.986 212 M CA -0.529 54.633 55.300 -0.230 0.000 0.972 212 M CB 1.021 33.583 32.600 -0.064 0.000 2.359 212 M HN -0.194 nan 8.290 nan 0.000 0.459 213 R N 3.627 124.021 120.500 -0.176 0.000 2.490 213 R HA 0.264 4.604 4.340 -0.000 0.000 0.278 213 R C 1.063 177.263 176.300 -0.167 0.000 1.069 213 R CA -0.188 55.805 56.100 -0.178 0.000 1.080 213 R CB 0.563 30.734 30.300 -0.216 0.000 1.030 213 R HN 0.951 nan 8.270 nan 0.000 0.491 214 W N 3.848 125.031 121.300 -0.195 0.000 2.358 214 W HA -0.131 4.529 4.660 -0.000 0.000 0.303 214 W C 1.149 177.473 176.519 -0.325 0.000 1.208 214 W CA 0.670 57.867 57.345 -0.248 0.000 1.274 214 W CB -0.434 28.804 29.460 -0.370 0.000 1.138 214 W HN 0.557 nan 8.180 nan 0.000 0.515 215 R N 1.017 120.737 120.500 -1.301 0.000 2.090 215 R HA -0.124 4.216 4.340 -0.000 0.000 0.228 215 R C 1.853 177.894 176.300 -0.431 0.000 1.110 215 R CA 1.890 57.274 56.100 -1.193 0.000 0.973 215 R CB -0.346 29.058 30.300 -1.494 0.000 0.869 215 R HN -0.046 nan 8.270 nan 0.000 0.440 216 D N 0.139 120.344 120.400 -0.325 0.000 2.104 216 D HA -0.220 4.420 4.640 -0.000 0.000 0.194 216 D C 1.851 178.206 176.300 0.092 0.000 0.994 216 D CA 1.172 55.103 54.000 -0.116 0.000 0.830 216 D CB -0.246 40.547 40.800 -0.013 0.000 0.959 216 D HN 0.239 nan 8.370 nan 0.000 0.452 217 R N -0.277 120.311 120.500 0.146 0.000 2.083 217 R HA -0.164 4.175 4.340 -0.000 0.000 0.237 217 R C 2.310 178.813 176.300 0.339 0.000 1.137 217 R CA 1.146 57.398 56.100 0.253 0.000 0.951 217 R CB -0.378 30.025 30.300 0.172 0.000 0.851 217 R HN 0.036 nan 8.270 nan 0.000 0.434 218 F N 1.065 121.052 119.950 0.062 0.000 2.091 218 F HA -0.211 4.316 4.527 -0.000 0.000 0.299 218 F C 2.250 178.060 175.800 0.017 0.000 1.103 218 F CA 1.125 59.176 58.000 0.085 0.000 1.228 218 F CB -0.744 38.357 39.000 0.169 0.000 0.984 218 F HN 0.072 nan 8.300 nan 0.000 0.477 219 L N -1.910 119.385 121.223 0.120 0.000 2.056 219 L HA -0.231 4.109 4.340 -0.000 0.000 0.207 219 L C 2.476 179.303 176.870 -0.071 0.000 1.078 219 L CA 1.175 55.982 54.840 -0.054 0.000 0.749 219 L CB -0.572 41.338 42.059 -0.248 0.000 0.901 219 L HN 0.036 nan 8.230 nan 0.000 0.433 220 F N -0.895 119.087 119.950 0.052 0.000 2.186 220 F HA -0.175 4.352 4.527 -0.000 0.000 0.299 220 F C 2.377 178.185 175.800 0.013 0.000 1.090 220 F CA 0.960 58.983 58.000 0.037 0.000 1.307 220 F CB -0.879 38.151 39.000 0.050 0.000 1.019 220 F HN -0.213 nan 8.300 nan 0.000 0.489 221 V N -0.203 119.811 119.914 0.166 0.000 2.358 221 V HA -0.288 3.832 4.120 -0.000 0.000 0.246 221 V C 2.578 178.640 176.094 -0.054 0.000 1.047 221 V CA 1.642 63.933 62.300 -0.015 0.000 1.035 221 V CB -1.290 30.412 31.823 -0.201 0.000 0.658 221 V HN 0.343 nan 8.190 nan 0.000 0.452 222 A N -0.426 122.373 122.820 -0.036 0.000 1.883 222 A HA -0.306 4.014 4.320 -0.000 0.000 0.217 222 A C 2.291 179.839 177.584 -0.060 0.000 1.186 222 A CA 2.147 54.116 52.037 -0.114 0.000 0.624 222 A CB -0.564 18.451 19.000 0.025 0.000 0.822 222 A HN 0.623 nan 8.150 nan 0.000 0.444 223 E N -0.232 120.012 120.200 0.074 0.000 2.085 223 E HA -0.161 4.188 4.350 -0.000 0.000 0.194 223 E C 2.157 178.802 176.600 0.075 0.000 0.994 223 E CA 1.104 57.576 56.400 0.120 0.000 0.801 223 E CB -0.253 29.524 29.700 0.128 0.000 0.743 223 E HN 0.552 nan 8.360 nan 0.000 0.453 224 A N 1.015 123.871 122.820 0.060 0.000 1.877 224 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 224 A C 2.160 179.794 177.584 0.083 0.000 1.186 224 A CA 1.294 53.383 52.037 0.088 0.000 0.620 224 A CB -0.616 18.453 19.000 0.114 0.000 0.822 224 A HN 0.312 nan 8.150 nan 0.000 0.443 225 I N -1.698 118.848 120.570 -0.040 0.000 2.127 225 I HA -0.305 3.865 4.170 -0.000 0.000 0.241 225 I C 2.388 178.479 176.117 -0.042 0.000 1.075 225 I CA 1.570 62.807 61.300 -0.105 0.000 1.334 225 I CB -0.455 37.357 38.000 -0.314 0.000 1.040 225 I HN 0.385 nan 8.210 nan 0.000 0.405 226 Y N 0.720 121.058 120.300 0.062 0.000 2.242 226 Y HA -0.202 4.348 4.550 -0.000 0.000 0.291 226 Y C 2.527 178.450 175.900 0.039 0.000 1.137 226 Y CA 1.044 59.170 58.100 0.044 0.000 1.181 226 Y CB -0.733 37.744 38.460 0.029 0.000 0.989 226 Y HN 0.112 nan 8.280 nan 0.000 0.527 227 K N 0.177 120.676 120.400 0.166 0.000 2.026 227 K HA -0.143 4.177 4.320 -0.000 0.000 0.208 227 K C 2.289 178.997 176.600 0.181 0.000 1.048 227 K CA 1.233 57.566 56.287 0.078 0.000 0.929 227 K CB -0.254 32.157 32.500 -0.149 0.000 0.713 227 K HN 0.213 nan 8.250 nan 0.000 0.439 228 A N 0.893 123.871 122.820 0.264 0.000 1.969 228 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 228 A C 2.060 179.725 177.584 0.135 0.000 1.169 228 A CA 1.513 53.699 52.037 0.248 0.000 0.635 228 A CB -0.522 18.590 19.000 0.187 0.000 0.810 228 A HN 0.552 nan 8.150 nan 0.000 0.445 229 Q N -0.486 119.389 119.800 0.125 0.000 2.046 229 Q HA -0.091 4.249 4.340 -0.000 0.000 0.200 229 Q C 2.179 178.234 176.000 0.093 0.000 0.975 229 Q CA 1.532 57.395 55.803 0.100 0.000 0.836 229 Q CB -0.343 28.479 28.738 0.140 0.000 0.896 229 Q HN 0.587 nan 8.270 nan 0.000 0.428 230 A N 0.708 123.592 122.820 0.107 0.000 1.933 230 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 230 A C 1.884 179.510 177.584 0.070 0.000 1.175 230 A CA 1.682 53.765 52.037 0.077 0.000 0.628 230 A CB -0.645 18.397 19.000 0.069 0.000 0.814 230 A HN 0.620 nan 8.150 nan 0.000 0.444 231 E N -0.531 119.726 120.200 0.094 0.000 2.106 231 E HA -0.153 4.197 4.350 -0.000 0.000 0.192 231 E C 1.988 178.624 176.600 0.061 0.000 0.984 231 E CA 1.733 58.188 56.400 0.092 0.000 0.806 231 E CB -0.040 29.752 29.700 0.153 0.000 0.750 231 E HN 0.739 nan 8.360 nan 0.000 0.458 232 T N -4.010 110.576 114.554 0.053 0.000 3.037 232 T HA 0.240 4.590 4.350 -0.000 0.000 0.252 232 T C 1.542 176.256 174.700 0.023 0.000 1.073 232 T CA 0.575 62.692 62.100 0.028 0.000 1.091 232 T CB 0.514 69.388 68.868 0.010 0.000 0.935 232 T HN 0.306 nan 8.240 nan 0.000 0.488 233 G N 1.339 110.157 108.800 0.030 0.000 2.148 233 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.254 233 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.254 233 G C -0.274 174.635 174.900 0.015 0.000 0.981 233 G CA 0.278 45.393 45.100 0.025 0.000 0.670 233 G HN 0.678 nan 8.290 nan 0.000 0.528 234 E N -0.520 119.682 120.200 0.005 0.000 2.212 234 E HA 0.527 4.877 4.350 -0.000 0.000 0.268 234 E C 0.222 176.809 176.600 -0.022 0.000 0.902 234 E CA -1.095 55.294 56.400 -0.018 0.000 0.779 234 E CB 2.532 32.207 29.700 -0.041 0.000 1.172 234 E HN 0.061 nan 8.360 nan 0.000 0.409 235 V N 3.661 123.553 119.914 -0.036 0.000 2.599 235 V HA -0.006 4.114 4.120 -0.000 0.000 0.300 235 V C 0.250 176.292 176.094 -0.087 0.000 1.034 235 V CA 0.464 62.745 62.300 -0.031 0.000 1.115 235 V CB 0.036 31.840 31.823 -0.032 0.000 0.934 235 V HN 0.518 nan 8.190 nan 0.000 0.485 236 K N 3.056 123.428 120.400 -0.047 0.000 2.395 236 K HA 0.823 5.143 4.320 -0.000 0.000 0.247 236 K C -0.002 176.598 176.600 0.001 0.000 0.973 236 K CA -0.420 55.819 56.287 -0.080 0.000 0.828 236 K CB 2.453 34.934 32.500 -0.032 0.000 1.272 236 K HN 0.841 nan 8.250 nan 0.000 0.439 237 G N 0.136 108.982 108.800 0.076 0.000 2.695 237 G HA2 0.408 4.367 3.960 -0.000 0.000 0.290 237 G HA3 0.408 4.367 3.960 -0.000 0.000 0.290 237 G C -1.882 173.205 174.900 0.313 0.000 1.410 237 G CA -0.269 45.003 45.100 0.287 0.000 0.844 237 G HN 0.550 nan 8.290 nan 0.000 0.478 238 H N 0.261 119.402 119.070 0.118 0.000 2.934 238 H HA 0.313 4.869 4.556 -0.000 0.000 0.340 238 H C -1.170 174.177 175.328 0.031 0.000 1.008 238 H CA -0.572 55.473 56.048 -0.005 0.000 1.317 238 H CB 1.349 31.099 29.762 -0.019 0.000 1.670 238 H HN 0.365 nan 8.280 nan 0.000 0.516 239 Y N 5.590 125.649 120.300 -0.402 0.000 2.674 239 Y HA 0.110 4.660 4.550 -0.000 0.000 0.354 239 Y C 0.682 176.473 175.900 -0.182 0.000 1.089 239 Y CA -0.559 57.366 58.100 -0.292 0.000 1.444 239 Y CB -0.575 37.657 38.460 -0.380 0.000 1.187 239 Y HN 0.330 nan 8.280 nan 0.000 0.523 240 L N 3.779 125.040 121.223 0.063 0.000 2.313 240 L HA 0.165 4.505 4.340 -0.000 0.000 0.282 240 L C 0.674 177.570 176.870 0.044 0.000 1.092 240 L CA -0.015 54.784 54.840 -0.068 0.000 0.831 240 L CB 0.368 42.021 42.059 -0.676 0.000 1.159 240 L HN 0.612 nan 8.230 nan 0.000 0.442 241 N N 1.975 120.778 118.700 0.172 0.000 2.431 241 N HA 0.162 4.902 4.740 -0.000 0.000 0.265 241 N C 0.637 176.285 175.510 0.231 0.000 1.184 241 N CA -0.074 53.089 53.050 0.188 0.000 0.943 241 N CB 1.034 39.616 38.487 0.157 0.000 1.080 241 N HN 0.777 nan 8.380 nan 0.000 0.477 242 A N 2.720 125.638 122.820 0.163 0.000 2.238 242 A HA 0.064 4.384 4.320 -0.000 0.000 0.210 242 A C 0.678 178.287 177.584 0.041 0.000 1.179 242 A CA 0.017 52.097 52.037 0.073 0.000 0.827 242 A CB 0.029 19.046 19.000 0.027 0.000 0.856 242 A HN 0.596 nan 8.150 nan 0.000 0.488 243 T N 1.842 116.471 114.554 0.125 0.000 2.866 243 T HA 0.430 4.780 4.350 -0.000 0.000 0.293 243 T C 0.200 174.894 174.700 -0.010 0.000 1.005 243 T CA 0.912 63.077 62.100 0.107 0.000 1.162 243 T CB 0.547 69.412 68.868 -0.005 0.000 0.968 243 T HN 0.708 nan 8.240 nan 0.000 0.530 244 A N 2.507 125.317 122.820 -0.017 0.000 2.583 244 A HA 0.811 5.131 4.320 -0.000 0.000 0.289 244 A C 1.304 178.856 177.584 -0.052 0.000 1.151 244 A CA -0.323 51.667 52.037 -0.078 0.000 0.695 244 A CB 0.717 19.622 19.000 -0.158 0.000 1.290 244 A HN 0.752 nan 8.150 nan 0.000 0.419 245 G N -0.695 108.069 108.800 -0.061 0.000 2.448 245 G HA2 0.329 4.289 3.960 -0.000 0.000 0.218 245 G HA3 0.329 4.289 3.960 -0.000 0.000 0.218 245 G C 0.694 175.570 174.900 -0.040 0.000 1.135 245 G CA 1.804 46.877 45.100 -0.044 0.000 0.784 245 G HN 1.640 nan 8.290 nan 0.000 0.543 246 T N -4.313 110.209 114.554 -0.054 0.000 2.896 246 T HA 0.304 4.654 4.350 -0.000 0.000 0.297 246 T C 0.913 175.573 174.700 -0.068 0.000 1.108 246 T CA -0.244 61.826 62.100 -0.050 0.000 1.004 246 T CB 1.383 70.223 68.868 -0.048 0.000 1.159 246 T HN -0.071 nan 8.240 nan 0.000 0.499 247 C N 0.878 120.142 119.300 -0.060 0.000 2.413 247 C HA -0.026 4.433 4.460 -0.000 0.000 0.277 247 C C 2.610 177.537 174.990 -0.105 0.000 1.265 247 C CA 0.973 59.943 59.018 -0.079 0.000 1.752 247 C CB -1.332 26.372 27.740 -0.059 0.000 1.998 247 C HN 1.018 nan 8.230 nan 0.000 0.489 248 E N 0.862 121.010 120.200 -0.086 0.000 2.077 248 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 248 E C 2.228 178.752 176.600 -0.125 0.000 0.989 248 E CA 0.959 57.305 56.400 -0.090 0.000 0.800 248 E CB -0.296 29.369 29.700 -0.059 0.000 0.746 248 E HN 0.520 nan 8.360 nan 0.000 0.452 249 E N 0.167 120.287 120.200 -0.134 0.000 2.072 249 E HA -0.160 4.190 4.350 -0.000 0.000 0.191 249 E C 2.017 178.435 176.600 -0.303 0.000 0.985 249 E CA 0.767 57.047 56.400 -0.200 0.000 0.801 249 E CB -0.283 29.312 29.700 -0.175 0.000 0.750 249 E HN 0.318 nan 8.360 nan 0.000 0.452 250 M N -0.197 119.261 119.600 -0.238 0.000 2.082 250 M HA -0.215 4.265 4.480 -0.000 0.000 0.258 250 M C 1.936 178.057 176.300 -0.299 0.000 1.069 250 M CA 1.493 56.644 55.300 -0.248 0.000 1.102 250 M CB -0.015 32.475 32.600 -0.183 0.000 1.336 250 M HN 0.036 nan 8.290 nan 0.000 0.404 251 M N 0.059 119.490 119.600 -0.281 0.000 2.229 251 M HA -0.161 4.319 4.480 -0.000 0.000 0.264 251 M C 1.907 178.012 176.300 -0.326 0.000 1.063 251 M CA 1.656 56.745 55.300 -0.350 0.000 1.114 251 M CB -1.163 31.266 32.600 -0.285 0.000 1.387 251 M HN 0.279 nan 8.290 nan 0.000 0.420 252 K N -0.183 120.058 120.400 -0.265 0.000 2.097 252 K HA -0.136 4.184 4.320 -0.000 0.000 0.206 252 K C 2.150 178.573 176.600 -0.294 0.000 1.049 252 K CA 1.261 57.428 56.287 -0.200 0.000 0.933 252 K CB -0.036 32.382 32.500 -0.137 0.000 0.717 252 K HN 0.311 nan 8.250 nan 0.000 0.442 253 R N 0.048 120.191 120.500 -0.595 0.000 2.075 253 R HA -0.050 4.289 4.340 -0.000 0.000 0.232 253 R C 2.378 178.654 176.300 -0.040 0.000 1.126 253 R CA 1.185 56.879 56.100 -0.678 0.000 0.963 253 R CB -0.323 29.457 30.300 -0.867 0.000 0.858 253 R HN 0.159 nan 8.270 nan 0.000 0.435 254 A N 1.187 123.928 122.820 -0.132 0.000 1.902 254 A HA -0.053 4.267 4.320 -0.000 0.000 0.217 254 A C 1.412 179.021 177.584 0.041 0.000 1.181 254 A CA 0.891 52.888 52.037 -0.067 0.000 0.623 254 A CB -0.458 18.331 19.000 -0.352 0.000 0.818 254 A HN 0.056 nan 8.150 nan 0.000 0.443 258 K N 0.779 121.317 120.400 0.230 0.000 2.032 258 K HA -0.186 4.134 4.320 -0.000 0.000 0.209 258 K C 1.444 178.143 176.600 0.164 0.000 1.048 258 K CA 2.055 58.460 56.287 0.198 0.000 0.927 258 K CB -0.182 32.465 32.500 0.244 0.000 0.712 258 K HN 0.627 nan 8.250 nan 0.000 0.441 259 E N 0.273 120.576 120.200 0.173 0.000 2.274 259 E HA -0.093 4.257 4.350 -0.000 0.000 0.194 259 E C 1.830 178.515 176.600 0.141 0.000 0.996 259 E CA 0.555 57.039 56.400 0.140 0.000 0.840 259 E CB 0.091 29.870 29.700 0.131 0.000 0.772 259 E HN 0.338 nan 8.360 nan 0.000 0.491 260 L N -0.644 120.683 121.223 0.174 0.000 2.509 260 L HA 0.130 4.470 4.340 -0.000 0.000 0.222 260 L C 1.447 178.460 176.870 0.239 0.000 1.123 260 L CA 0.410 55.368 54.840 0.196 0.000 0.856 260 L CB 0.102 42.280 42.059 0.199 0.000 0.985 260 L HN 0.266 nan 8.230 nan 0.000 0.456 261 G N 0.708 109.624 108.800 0.193 0.000 2.143 261 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.248 261 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.248 261 G C 0.360 175.393 174.900 0.222 0.000 0.991 261 G CA 0.243 45.461 45.100 0.197 0.000 0.689 261 G HN 0.249 nan 8.290 nan 0.000 0.522 262 V N -2.089 117.922 119.914 0.162 0.000 2.834 262 V HA 0.713 4.833 4.120 -0.000 0.000 0.301 262 V C -0.003 176.140 176.094 0.083 0.000 1.066 262 V CA -0.887 61.460 62.300 0.079 0.000 1.052 262 V CB 1.236 33.053 31.823 -0.009 0.000 1.021 262 V HN 0.049 nan 8.190 nan 0.000 0.480 263 P HA 0.243 nan 4.420 nan 0.000 0.227 263 P C 0.137 177.474 177.300 0.062 0.000 1.161 263 P CA 0.793 63.943 63.100 0.084 0.000 0.788 263 P CB 0.537 32.315 31.700 0.130 0.000 0.822 264 I N -0.310 120.301 120.570 0.068 0.000 2.775 264 I HA 0.376 4.546 4.170 -0.000 0.000 0.295 264 I C -1.204 174.928 176.117 0.025 0.000 1.287 264 I CA -1.589 59.725 61.300 0.023 0.000 1.029 264 I CB 2.350 40.350 38.000 0.000 0.000 1.282 264 I HN -0.250 nan 8.210 nan 0.000 0.426 265 I N 4.426 124.993 120.570 -0.004 0.000 3.108 265 I HA 0.693 4.863 4.170 -0.000 0.000 0.312 265 I C -0.962 175.162 176.117 0.012 0.000 1.095 265 I CA -0.946 60.365 61.300 0.019 0.000 1.000 265 I CB 2.201 40.230 38.000 0.048 0.000 1.229 265 I HN 0.700 nan 8.210 nan 0.000 0.454 266 M N 1.689 121.337 119.600 0.079 0.000 2.658 266 M HA 0.653 5.133 4.480 -0.000 0.000 0.295 266 M C -1.603 174.810 176.300 0.188 0.000 1.248 266 M CA -0.538 54.840 55.300 0.130 0.000 0.843 266 M CB 2.306 35.036 32.600 0.216 0.000 1.749 266 M HN 0.820 nan 8.290 nan 0.000 0.464 267 H N -0.310 118.794 119.070 0.056 0.000 2.974 267 H HA 0.447 5.003 4.556 -0.000 0.000 0.366 267 H C -1.999 173.375 175.328 0.077 0.000 1.155 267 H CA -0.481 55.590 56.048 0.039 0.000 1.186 267 H CB 1.803 31.571 29.762 0.009 0.000 1.799 267 H HN 0.771 nan 8.280 nan 0.000 0.541 268 D N 4.934 125.058 120.400 -0.460 0.000 2.441 268 D HA 0.005 4.645 4.640 -0.000 0.000 0.221 268 D C 0.704 176.696 176.300 -0.515 0.000 1.156 268 D CA -0.170 53.646 54.000 -0.306 0.000 0.896 268 D CB 0.017 40.674 40.800 -0.238 0.000 1.028 268 D HN 0.625 nan 8.370 nan 0.000 0.509 269 Y N 1.081 121.130 120.300 -0.419 0.000 2.352 269 Y HA -0.007 4.543 4.550 -0.000 0.000 0.292 269 Y C 1.337 176.948 175.900 -0.481 0.000 1.136 269 Y CA 0.741 58.613 58.100 -0.380 0.000 1.227 269 Y CB -0.421 37.895 38.460 -0.239 0.000 0.991 269 Y HN 0.232 nan 8.280 nan 0.000 0.545 270 L N 0.368 121.064 121.223 -0.880 0.000 2.202 270 L HA -0.033 4.307 4.340 -0.000 0.000 0.205 270 L C 2.614 179.219 176.870 -0.442 0.000 1.083 270 L CA 1.408 55.761 54.840 -0.811 0.000 0.790 270 L CB -0.658 40.957 42.059 -0.740 0.000 0.942 270 L HN 0.419 nan 8.230 nan 0.000 0.452 271 T N -3.555 110.799 114.554 -0.335 0.000 2.937 271 T HA -0.004 4.345 4.350 -0.000 0.000 0.260 271 T C 1.914 176.499 174.700 -0.192 0.000 1.051 271 T CA 0.813 62.780 62.100 -0.221 0.000 1.141 271 T CB -0.542 68.224 68.868 -0.170 0.000 0.879 271 T HN 0.294 nan 8.240 nan 0.000 0.459 272 G N 1.464 110.117 108.800 -0.244 0.000 2.394 272 G HA2 0.410 4.370 3.960 -0.000 0.000 0.215 272 G HA3 0.410 4.370 3.960 -0.000 0.000 0.215 272 G C 0.892 175.767 174.900 -0.042 0.000 1.165 272 G CA 0.279 45.317 45.100 -0.103 0.000 0.784 272 G HN 1.283 nan 8.290 nan 0.000 0.535 273 G N -2.053 106.662 108.800 -0.141 0.000 2.587 273 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.686 273 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.686 273 G C 0.115 174.962 174.900 -0.087 0.000 1.236 273 G CA -0.162 44.838 45.100 -0.167 0.000 0.820 273 G HN 0.082 nan 8.290 nan 0.000 0.645 274 F N 0.646 120.595 119.950 -0.002 0.000 2.186 274 F HA 0.001 4.528 4.527 -0.000 0.000 0.299 274 F C 3.113 178.935 175.800 0.036 0.000 1.090 274 F CA 2.296 60.308 58.000 0.020 0.000 1.307 274 F CB -0.581 38.378 39.000 -0.069 0.000 1.019 274 F HN 0.559 nan 8.300 nan 0.000 0.489 275 T N -0.150 114.523 114.554 0.198 0.000 2.674 275 T HA -0.206 4.144 4.350 -0.000 0.000 0.265 275 T C 2.323 177.066 174.700 0.072 0.000 1.039 275 T CA 1.488 63.658 62.100 0.117 0.000 1.150 275 T CB -0.731 68.186 68.868 0.080 0.000 0.864 275 T HN 0.279 nan 8.240 nan 0.000 0.427 276 A N 1.933 124.787 122.820 0.056 0.000 1.902 276 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 276 A C 2.271 179.805 177.584 -0.083 0.000 1.181 276 A CA 1.608 53.638 52.037 -0.012 0.000 0.623 276 A CB -0.813 18.197 19.000 0.016 0.000 0.818 276 A HN 0.545 nan 8.150 nan 0.000 0.443 277 N N -0.469 118.257 118.700 0.043 0.000 2.084 277 N HA -0.152 4.588 4.740 -0.000 0.000 0.190 277 N C 1.652 177.175 175.510 0.022 0.000 1.030 277 N CA 2.103 55.173 53.050 0.033 0.000 0.849 277 N CB -0.184 38.454 38.487 0.252 0.000 1.012 277 N HN 0.441 nan 8.380 nan 0.000 0.423 278 T N 0.209 114.816 114.554 0.089 0.000 2.720 278 T HA -0.072 4.278 4.350 -0.000 0.000 0.268 278 T C 2.135 176.851 174.700 0.027 0.000 1.037 278 T CA 1.400 63.546 62.100 0.076 0.000 1.144 278 T CB -0.336 68.600 68.868 0.114 0.000 0.864 278 T HN 0.223 nan 8.240 nan 0.000 0.444 279 S N 1.343 117.047 115.700 0.006 0.000 2.359 279 S HA -0.058 4.412 4.470 -0.000 0.000 0.224 279 S C 1.943 176.538 174.600 -0.008 0.000 1.035 279 S CA 0.812 59.009 58.200 -0.006 0.000 1.018 279 S CB -0.535 62.649 63.200 -0.027 0.000 0.876 279 S HN 0.243 nan 8.310 nan 0.000 0.448 280 L N 1.808 122.985 121.223 -0.077 0.000 2.046 280 L HA 0.008 4.348 4.340 -0.000 0.000 0.208 280 L C 2.380 179.254 176.870 0.007 0.000 1.077 280 L CA 1.806 56.598 54.840 -0.080 0.000 0.747 280 L CB -1.036 40.869 42.059 -0.256 0.000 0.896 280 L HN 0.258 nan 8.230 nan 0.000 0.432 281 A N -0.504 122.306 122.820 -0.017 0.000 1.933 281 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 281 A C 2.270 179.846 177.584 -0.013 0.000 1.175 281 A CA 2.076 54.102 52.037 -0.018 0.000 0.628 281 A CB -0.840 18.145 19.000 -0.025 0.000 0.814 281 A HN 0.498 nan 8.150 nan 0.000 0.444 282 I N -2.232 118.344 120.570 0.010 0.000 2.252 282 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 282 I C 2.413 178.541 176.117 0.020 0.000 1.102 282 I CA 1.559 62.862 61.300 0.004 0.000 1.385 282 I CB -0.344 37.664 38.000 0.014 0.000 1.064 282 I HN 0.532 nan 8.210 nan 0.000 0.414 283 Y N 0.859 121.133 120.300 -0.042 0.000 2.145 283 Y HA -0.342 4.208 4.550 -0.000 0.000 0.286 283 Y C 2.721 178.612 175.900 -0.015 0.000 1.145 283 Y CA 1.673 59.757 58.100 -0.027 0.000 1.148 283 Y CB -0.428 38.012 38.460 -0.032 0.000 0.981 283 Y HN 0.194 nan 8.280 nan 0.000 0.507 284 C N 0.170 119.530 119.300 0.100 0.000 2.413 284 C HA -0.181 4.279 4.460 -0.000 0.000 0.276 284 C C 2.752 177.716 174.990 -0.044 0.000 1.248 284 C CA 1.539 60.588 59.018 0.052 0.000 1.742 284 C CB -1.252 26.532 27.740 0.075 0.000 2.017 284 C HN 0.589 nan 8.230 nan 0.000 0.481 285 R N 1.653 122.073 120.500 -0.133 0.000 2.091 285 R HA -0.110 4.229 4.340 -0.000 0.000 0.238 285 R C 1.446 177.673 176.300 -0.121 0.000 1.136 285 R CA 2.015 57.995 56.100 -0.199 0.000 0.959 285 R CB -0.813 29.380 30.300 -0.179 0.000 0.856 285 R HN 0.447 nan 8.270 nan 0.000 0.437 286 D N -0.596 119.710 120.400 -0.156 0.000 2.347 286 D HA 0.005 4.645 4.640 -0.000 0.000 0.213 286 D C 0.388 176.566 176.300 -0.202 0.000 0.985 286 D CA 0.671 54.572 54.000 -0.165 0.000 0.879 286 D CB 0.105 40.802 40.800 -0.173 0.000 0.919 286 D HN 0.345 nan 8.370 nan 0.000 0.526 287 N N -0.754 117.795 118.700 -0.252 0.000 2.159 287 N HA 0.104 4.844 4.740 -0.000 0.000 0.217 287 N C 0.871 176.351 175.510 -0.050 0.000 1.223 287 N CA 0.383 53.303 53.050 -0.216 0.000 0.896 287 N CB 2.019 40.226 38.487 -0.466 0.000 1.064 287 N HN 0.060 nan 8.380 nan 0.000 0.518 288 G N 1.732 110.560 108.800 0.046 0.000 2.176 288 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.252 288 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.252 288 G C -0.183 174.761 174.900 0.072 0.000 1.024 288 G CA 0.020 45.194 45.100 0.123 0.000 0.755 288 G HN 0.217 nan 8.290 nan 0.000 0.507 289 L N 0.020 121.334 121.223 0.152 0.000 2.312 289 L HA 0.558 4.898 4.340 -0.000 0.000 0.281 289 L C 1.192 178.149 176.870 0.145 0.000 1.070 289 L CA -1.017 53.888 54.840 0.110 0.000 0.805 289 L CB 1.173 43.312 42.059 0.133 0.000 1.174 289 L HN 0.075 nan 8.230 nan 0.000 0.434 290 L N 3.595 124.818 121.223 0.000 0.000 2.439 290 L HA 0.222 4.562 4.340 -0.000 0.000 0.269 290 L C -0.396 176.426 176.870 -0.080 0.000 1.179 290 L CA -0.270 54.553 54.840 -0.029 0.000 0.828 290 L CB 0.909 42.875 42.059 -0.155 0.000 1.106 290 L HN 0.381 nan 8.230 nan 0.000 0.467 291 L N 2.838 123.981 121.223 -0.133 0.000 2.342 291 L HA 0.343 4.683 4.340 -0.000 0.000 0.276 291 L C -0.551 176.140 176.870 -0.298 0.000 0.997 291 L CA -0.233 54.515 54.840 -0.154 0.000 0.838 291 L CB 1.007 43.022 42.059 -0.074 0.000 1.224 291 L HN 0.448 nan 8.230 nan 0.000 0.416 292 H N 5.376 124.172 119.070 -0.457 0.000 2.562 292 H HA 0.551 5.107 4.556 -0.000 0.000 0.314 292 H C -0.826 174.390 175.328 -0.187 0.000 1.079 292 H CA -0.442 55.297 56.048 -0.514 0.000 1.349 292 H CB 0.730 29.923 29.762 -0.948 0.000 1.432 292 H HN 0.496 nan 8.280 nan 0.000 0.479 293 I N 5.806 126.048 120.570 -0.547 0.000 2.339 293 I HA 0.116 4.286 4.170 -0.000 0.000 0.290 293 I C 0.099 176.093 176.117 -0.206 0.000 0.994 293 I CA -0.418 60.719 61.300 -0.272 0.000 1.191 293 I CB 0.877 38.694 38.000 -0.306 0.000 1.343 293 I HN 0.720 nan 8.210 nan 0.000 0.458 294 H N 7.428 126.446 119.070 -0.087 0.000 2.473 294 H HA 0.311 4.867 4.556 -0.000 0.000 0.327 294 H C 0.400 175.711 175.328 -0.029 0.000 1.105 294 H CA -0.436 55.520 56.048 -0.153 0.000 1.280 294 H CB 1.462 31.150 29.762 -0.124 0.000 1.450 294 H HN 0.582 nan 8.280 nan 0.000 0.492 295 R N 3.135 123.460 120.500 -0.291 0.000 2.568 295 R HA 0.385 4.725 4.340 -0.000 0.000 0.288 295 R C 0.198 176.507 176.300 0.016 0.000 1.077 295 R CA -0.385 55.709 56.100 -0.009 0.000 1.102 295 R CB -0.060 30.198 30.300 -0.069 0.000 1.278 295 R HN 0.375 nan 8.270 nan 0.000 0.560 296 A N 1.620 124.547 122.820 0.180 0.000 2.608 296 A HA -0.003 4.317 4.320 -0.000 0.000 0.239 296 A C 0.955 178.533 177.584 -0.011 0.000 1.018 296 A CA 1.077 53.206 52.037 0.155 0.000 0.766 296 A CB -0.266 18.802 19.000 0.114 0.000 0.928 296 A HN 0.875 nan 8.150 nan 0.000 0.512 297 M N 0.445 120.024 119.600 -0.036 0.000 3.007 297 M HA -0.308 4.172 4.480 -0.000 0.000 0.210 297 M C 1.027 177.256 176.300 -0.120 0.000 0.585 297 M CA 1.938 57.178 55.300 -0.101 0.000 0.804 297 M CB -2.031 30.497 32.600 -0.119 0.000 2.870 297 M HN 1.283 nan 8.290 nan 0.000 0.297 298 H N -0.716 118.281 119.070 -0.121 0.000 2.390 298 H HA 0.167 4.723 4.556 -0.000 0.000 0.298 298 H C 1.712 177.001 175.328 -0.066 0.000 1.106 298 H CA 2.101 58.103 56.048 -0.077 0.000 1.297 298 H CB -0.540 29.200 29.762 -0.037 0.000 1.375 298 H HN 0.511 nan 8.280 nan 0.000 0.509 299 A N 1.103 123.382 122.820 -0.901 0.000 2.119 299 A HA 0.012 4.332 4.320 -0.000 0.000 0.217 299 A C 2.502 179.931 177.584 -0.258 0.000 1.153 299 A CA 0.974 52.647 52.037 -0.606 0.000 0.692 299 A CB -0.675 17.956 19.000 -0.616 0.000 0.799 299 A HN 0.355 nan 8.150 nan 0.000 0.458 300 V N -0.072 119.723 119.914 -0.199 0.000 2.392 300 V HA -0.276 3.844 4.120 -0.000 0.000 0.249 300 V C 2.245 178.305 176.094 -0.057 0.000 1.059 300 V CA 2.268 64.505 62.300 -0.105 0.000 1.051 300 V CB -0.577 31.193 31.823 -0.088 0.000 0.658 300 V HN 0.620 nan 8.190 nan 0.000 0.455 301 I N 0.581 121.118 120.570 -0.055 0.000 2.810 301 I HA -0.021 4.149 4.170 -0.000 0.000 0.262 301 I C 1.733 177.857 176.117 0.011 0.000 1.131 301 I CA 1.157 62.450 61.300 -0.010 0.000 1.453 301 I CB -0.160 37.843 38.000 0.005 0.000 1.161 301 I HN 0.454 nan 8.210 nan 0.000 0.444 302 D N -0.320 120.077 120.400 -0.004 0.000 2.398 302 D HA -0.028 4.612 4.640 -0.000 0.000 0.210 302 D C 1.827 178.115 176.300 -0.020 0.000 1.094 302 D CA -0.037 53.969 54.000 0.010 0.000 0.839 302 D CB 0.052 40.895 40.800 0.071 0.000 0.963 302 D HN -0.039 nan 8.370 nan 0.000 0.506 303 R N 0.209 120.690 120.500 -0.031 0.000 2.062 303 R HA 0.059 4.399 4.340 -0.000 0.000 0.226 303 R C 0.478 176.794 176.300 0.027 0.000 1.125 303 R CA 1.067 57.152 56.100 -0.024 0.000 0.966 303 R CB -0.104 30.162 30.300 -0.056 0.000 0.861 303 R HN 0.045 nan 8.270 nan 0.000 0.433 304 Q N 0.500 120.331 119.800 0.051 0.000 2.293 304 Q HA 0.073 4.413 4.340 -0.000 0.000 0.251 304 Q C 0.343 176.410 176.000 0.110 0.000 0.930 304 Q CA 0.064 55.914 55.803 0.078 0.000 0.893 304 Q CB 1.350 30.140 28.738 0.088 0.000 1.215 304 Q HN 0.242 nan 8.270 nan 0.000 0.425 305 R N 2.206 122.771 120.500 0.108 0.000 2.115 305 R HA -0.129 4.211 4.340 -0.000 0.000 0.230 305 R C 1.303 177.678 176.300 0.125 0.000 1.111 305 R CA 1.597 57.770 56.100 0.123 0.000 0.976 305 R CB 0.277 30.639 30.300 0.103 0.000 0.870 305 R HN 0.655 nan 8.270 nan 0.000 0.445 306 N N -1.090 117.688 118.700 0.129 0.000 2.392 306 N HA -0.104 4.636 4.740 -0.000 0.000 0.177 306 N C -0.372 175.267 175.510 0.214 0.000 1.066 306 N CA 0.663 53.797 53.050 0.141 0.000 0.895 306 N CB 0.113 38.672 38.487 0.119 0.000 0.988 306 N HN 0.270 nan 8.380 nan 0.000 0.457 307 H N -1.410 117.732 119.070 0.121 0.000 3.029 307 H HA 0.567 5.123 4.556 -0.000 0.000 0.358 307 H C 0.054 175.488 175.328 0.175 0.000 1.129 307 H CA 0.380 56.531 56.048 0.172 0.000 1.230 307 H CB 1.456 31.305 29.762 0.146 0.000 1.827 307 H HN 0.340 nan 8.280 nan 0.000 0.530 308 G N 2.483 111.248 108.800 -0.059 0.000 2.255 308 G HA2 -0.007 3.952 3.960 -0.000 0.000 0.216 308 G HA3 -0.007 3.952 3.960 -0.000 0.000 0.216 308 G C -1.570 173.346 174.900 0.027 0.000 1.307 308 G CA -0.334 44.755 45.100 -0.019 0.000 1.162 308 G HN 0.644 nan 8.290 nan 0.000 0.494 309 I N 0.960 121.539 120.570 0.015 0.000 2.499 309 I HA 0.322 4.492 4.170 -0.000 0.000 0.288 309 I C 0.220 176.395 176.117 0.097 0.000 1.048 309 I CA -0.877 60.449 61.300 0.044 0.000 1.062 309 I CB 1.959 39.958 38.000 -0.002 0.000 1.238 309 I HN 0.670 nan 8.210 nan 0.000 0.426 310 H N 4.882 123.981 119.070 0.048 0.000 2.897 310 H HA -0.034 4.522 4.556 -0.000 0.000 0.347 310 H C 0.513 175.906 175.328 0.108 0.000 1.068 310 H CA 0.781 56.888 56.048 0.098 0.000 1.426 310 H CB 0.972 30.787 29.762 0.089 0.000 1.410 310 H HN 0.646 nan 8.280 nan 0.000 0.597 311 F N 5.372 125.117 119.950 -0.342 0.000 2.192 311 F HA -0.235 4.292 4.527 -0.000 0.000 0.301 311 F C 2.594 178.327 175.800 -0.111 0.000 1.079 311 F CA 1.789 59.645 58.000 -0.238 0.000 1.303 311 F CB -0.114 38.591 39.000 -0.493 0.000 1.024 311 F HN 0.684 nan 8.300 nan 0.000 0.494 312 R N -0.375 120.214 120.500 0.148 0.000 2.127 312 R HA -0.125 4.215 4.340 -0.000 0.000 0.238 312 R C 1.762 178.032 176.300 -0.050 0.000 1.134 312 R CA 1.947 58.077 56.100 0.049 0.000 0.975 312 R CB -1.399 29.099 30.300 0.330 0.000 0.865 312 R HN 0.297 nan 8.270 nan 0.000 0.447 313 V N 1.844 121.761 119.914 0.004 0.000 2.379 313 V HA -0.141 3.979 4.120 -0.000 0.000 0.245 313 V C 2.466 178.590 176.094 0.050 0.000 1.044 313 V CA 1.397 63.702 62.300 0.009 0.000 1.036 313 V CB -0.391 31.420 31.823 -0.020 0.000 0.664 313 V HN 0.269 nan 8.190 nan 0.000 0.453 314 L N 0.255 121.473 121.223 -0.008 0.000 2.131 314 L HA -0.141 4.199 4.340 -0.000 0.000 0.210 314 L C 2.680 179.473 176.870 -0.128 0.000 1.092 314 L CA 1.443 56.335 54.840 0.087 0.000 0.759 314 L CB -0.789 41.323 42.059 0.088 0.000 0.903 314 L HN 0.369 nan 8.230 nan 0.000 0.435 315 A N 0.162 122.622 122.820 -0.599 0.000 1.897 315 A HA -0.159 4.161 4.320 -0.000 0.000 0.215 315 A C 2.352 179.829 177.584 -0.178 0.000 1.181 315 A CA 1.250 52.963 52.037 -0.539 0.000 0.620 315 A CB -0.246 18.322 19.000 -0.720 0.000 0.821 315 A HN 0.262 nan 8.150 nan 0.000 0.443 316 K N -0.162 120.222 120.400 -0.027 0.000 2.063 316 K HA -0.112 4.208 4.320 -0.000 0.000 0.208 316 K C 2.308 178.967 176.600 0.097 0.000 1.048 316 K CA 1.186 57.581 56.287 0.180 0.000 0.928 316 K CB -0.355 32.278 32.500 0.222 0.000 0.713 316 K HN 0.434 nan 8.250 nan 0.000 0.442 317 A N 1.911 124.777 122.820 0.077 0.000 1.908 317 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 317 A C 2.064 179.648 177.584 -0.002 0.000 1.181 317 A CA 1.123 53.168 52.037 0.013 0.000 0.627 317 A CB -0.561 18.498 19.000 0.097 0.000 0.818 317 A HN 0.248 nan 8.150 nan 0.000 0.445 318 L N -0.399 120.840 121.223 0.027 0.000 2.056 318 L HA -0.125 4.215 4.340 -0.000 0.000 0.207 318 L C 2.497 179.245 176.870 -0.203 0.000 1.078 318 L CA 2.322 57.063 54.840 -0.166 0.000 0.749 318 L CB -0.877 40.835 42.059 -0.578 0.000 0.901 318 L HN 0.549 nan 8.230 nan 0.000 0.433 319 R N -0.468 119.894 120.500 -0.229 0.000 2.117 319 R HA -0.212 4.127 4.340 -0.000 0.000 0.243 319 R C 2.302 178.453 176.300 -0.249 0.000 1.143 319 R CA 2.046 57.959 56.100 -0.312 0.000 0.968 319 R CB -0.137 29.824 30.300 -0.565 0.000 0.863 319 R HN 0.373 nan 8.270 nan 0.000 0.444 320 M N -1.032 118.433 119.600 -0.226 0.000 2.156 320 M HA -0.096 4.384 4.480 -0.000 0.000 0.264 320 M C 2.496 178.680 176.300 -0.192 0.000 1.067 320 M CA 1.683 56.754 55.300 -0.381 0.000 1.131 320 M CB -0.131 31.959 32.600 -0.849 0.000 1.368 320 M HN 0.143 nan 8.290 nan 0.000 0.416 321 S N -0.277 115.368 115.700 -0.092 0.000 2.383 321 S HA 0.124 4.594 4.470 -0.000 0.000 0.227 321 S C 0.843 175.468 174.600 0.043 0.000 1.026 321 S CA 1.117 59.364 58.200 0.079 0.000 0.981 321 S CB -0.308 63.026 63.200 0.223 0.000 0.818 321 S HN 0.650 nan 8.310 nan 0.000 0.472 322 G N -1.409 107.365 108.800 -0.043 0.000 3.239 322 G HA2 0.416 4.376 3.960 -0.000 0.000 0.666 322 G HA3 0.416 4.376 3.960 -0.000 0.000 0.666 322 G C -0.312 174.518 174.900 -0.115 0.000 1.313 322 G CA -0.485 44.569 45.100 -0.078 0.000 1.001 322 G HN 1.047 nan 8.290 nan 0.000 0.573 323 G N 0.588 109.297 108.800 -0.151 0.000 2.733 323 G HA2 0.606 4.565 3.960 -0.000 0.000 0.297 323 G HA3 0.606 4.565 3.960 -0.000 0.000 0.297 323 G C -0.102 174.706 174.900 -0.154 0.000 1.452 323 G CA 0.208 45.206 45.100 -0.170 0.000 0.940 323 G HN 0.348 nan 8.290 nan 0.000 0.547 324 D N -0.270 120.037 120.400 -0.155 0.000 2.240 324 D HA 0.078 4.718 4.640 -0.000 0.000 0.206 324 D C 0.392 176.702 176.300 0.016 0.000 0.963 324 D CA 1.110 55.051 54.000 -0.098 0.000 0.863 324 D CB 0.289 41.011 40.800 -0.130 0.000 0.973 324 D HN 0.585 nan 8.370 nan 0.000 0.501 325 H N -0.839 118.095 119.070 -0.226 0.000 2.690 325 H HA 0.548 5.104 4.556 -0.000 0.000 0.368 325 H C -1.107 174.007 175.328 -0.355 0.000 1.150 325 H CA -1.089 54.793 56.048 -0.277 0.000 1.174 325 H CB 2.682 32.248 29.762 -0.328 0.000 1.684 325 H HN -0.129 nan 8.280 nan 0.000 0.538 326 L N 1.919 123.055 121.223 -0.145 0.000 2.464 326 L HA 0.239 4.579 4.340 -0.000 0.000 0.266 326 L C -0.765 176.059 176.870 -0.076 0.000 0.965 326 L CA -0.430 54.320 54.840 -0.149 0.000 0.833 326 L CB 1.558 43.545 42.059 -0.120 0.000 1.296 326 L HN 0.710 nan 8.230 nan 0.000 0.405 327 H N 2.666 121.609 119.070 -0.212 0.000 3.034 327 H HA 0.134 4.690 4.556 -0.000 0.000 0.324 327 H C 0.332 175.573 175.328 -0.145 0.000 1.015 327 H CA 0.916 56.844 56.048 -0.199 0.000 1.429 327 H CB 0.972 30.544 29.762 -0.317 0.000 1.429 327 H HN 0.788 nan 8.280 nan 0.000 0.585 328 S N 1.791 117.495 115.700 0.007 0.000 2.578 328 S HA 0.294 4.764 4.470 -0.000 0.000 0.228 328 S C 1.007 175.715 174.600 0.179 0.000 1.022 328 S CA 0.114 58.445 58.200 0.218 0.000 0.967 328 S CB 1.126 64.570 63.200 0.406 0.000 0.914 328 S HN 1.081 nan 8.310 nan 0.000 0.515 329 G N 1.139 109.944 108.800 0.008 0.000 2.756 329 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.678 329 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.678 329 G C 0.275 175.246 174.900 0.118 0.000 1.349 329 G CA 0.242 45.361 45.100 0.032 0.000 0.847 329 G HN 1.012 nan 8.290 nan 0.000 0.548 330 T N -3.263 111.331 114.554 0.067 0.000 2.954 330 T HA 0.638 4.988 4.350 -0.000 0.000 0.252 330 T C 2.109 176.856 174.700 0.079 0.000 0.983 330 T CA 1.934 64.084 62.100 0.084 0.000 0.941 330 T CB 0.337 69.150 68.868 -0.092 0.000 1.141 330 T HN 2.784 nan 8.240 nan 0.000 0.500 331 A N 1.068 123.909 122.820 0.035 0.000 2.617 331 A HA -0.272 4.048 4.320 -0.000 0.000 0.236 331 A C 1.795 179.383 177.584 0.007 0.000 0.551 331 A CA 2.398 54.444 52.037 0.015 0.000 1.144 331 A CB -2.351 16.643 19.000 -0.010 0.000 1.384 331 A HN 1.499 nan 8.150 nan 0.000 0.694 332 V N -2.101 117.788 119.914 -0.042 0.000 3.660 332 V HA 0.622 4.742 4.120 -0.000 0.000 0.276 332 V C 1.396 177.397 176.094 -0.155 0.000 1.317 332 V CA 1.092 63.351 62.300 -0.068 0.000 1.097 332 V CB -0.572 31.192 31.823 -0.098 0.000 0.863 332 V HN 1.606 nan 8.190 nan 0.000 0.438 333 G N 1.405 110.072 108.800 -0.222 0.000 2.574 333 G HA2 0.277 4.237 3.960 -0.000 0.000 0.248 333 G HA3 0.277 4.237 3.960 -0.000 0.000 0.248 333 G C 0.743 175.351 174.900 -0.486 0.000 1.422 333 G CA 0.062 44.956 45.100 -0.343 0.000 1.051 333 G HN 0.477 nan 8.290 nan 0.000 0.560 334 K N -1.160 118.729 120.400 -0.852 0.000 2.366 334 K HA 0.157 4.477 4.320 -0.000 0.000 0.198 334 K C 0.170 176.554 176.600 -0.361 0.000 1.044 334 K CA 0.378 56.105 56.287 -0.932 0.000 0.973 334 K CB -0.231 31.724 32.500 -0.910 0.000 0.767 334 K HN 0.188 nan 8.250 nan 0.000 0.475 335 L N 1.710 122.787 121.223 -0.245 0.000 2.334 335 L HA 0.321 4.661 4.340 -0.000 0.000 0.273 335 L C -0.100 176.728 176.870 -0.069 0.000 1.013 335 L CA -1.002 53.757 54.840 -0.136 0.000 0.816 335 L CB 1.825 43.821 42.059 -0.105 0.000 1.278 335 L HN 0.083 nan 8.230 nan 0.000 0.431 336 E N 0.844 121.020 120.200 -0.040 0.000 2.373 336 E HA 0.475 4.824 4.350 -0.000 0.000 0.267 336 E C -0.357 176.265 176.600 0.037 0.000 1.032 336 E CA -0.071 56.335 56.400 0.008 0.000 0.889 336 E CB 0.813 30.517 29.700 0.007 0.000 0.984 336 E HN 0.757 nan 8.360 nan 0.000 0.425 337 G N 4.212 113.050 108.800 0.063 0.000 2.020 337 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.304 337 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.304 337 G C -1.067 173.881 174.900 0.080 0.000 1.500 337 G CA -0.728 44.432 45.100 0.100 0.000 1.120 337 G HN 0.475 nan 8.290 nan 0.000 0.555 338 E N 2.302 122.559 120.200 0.095 0.000 2.384 338 E HA 0.094 4.444 4.350 -0.000 0.000 0.266 338 E C 1.493 178.096 176.600 0.005 0.000 1.012 338 E CA -0.493 55.943 56.400 0.060 0.000 0.901 338 E CB 0.987 30.735 29.700 0.080 0.000 0.967 338 E HN 0.605 nan 8.360 nan 0.000 0.435 339 R N 3.586 124.071 120.500 -0.025 0.000 2.097 339 R HA -0.202 4.138 4.340 -0.000 0.000 0.236 339 R C 1.423 177.652 176.300 -0.119 0.000 1.135 339 R CA 1.792 57.841 56.100 -0.085 0.000 0.934 339 R CB 0.016 30.276 30.300 -0.067 0.000 0.846 339 R HN 0.505 nan 8.270 nan 0.000 0.431 340 E N 0.148 120.304 120.200 -0.073 0.000 2.077 340 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 340 E C 2.136 178.681 176.600 -0.091 0.000 0.989 340 E CA 1.213 57.567 56.400 -0.077 0.000 0.800 340 E CB -0.384 29.291 29.700 -0.042 0.000 0.746 340 E HN 0.237 nan 8.360 nan 0.000 0.452 341 V N 1.359 121.248 119.914 -0.041 0.000 2.343 341 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 341 V C 2.347 178.282 176.094 -0.264 0.000 1.051 341 V CA 2.150 64.456 62.300 0.011 0.000 1.036 341 V CB -0.803 31.150 31.823 0.216 0.000 0.654 341 V HN 0.293 nan 8.190 nan 0.000 0.451 342 T N 0.332 114.633 114.554 -0.422 0.000 2.708 342 T HA -0.123 4.227 4.350 -0.000 0.000 0.266 342 T C 1.899 176.123 174.700 -0.793 0.000 1.037 342 T CA 1.478 63.009 62.100 -0.947 0.000 1.146 342 T CB -0.309 68.298 68.868 -0.435 0.000 0.865 342 T HN 0.295 nan 8.240 nan 0.000 0.435 343 L N 0.744 121.706 121.223 -0.435 0.000 2.079 343 L HA -0.074 4.266 4.340 -0.000 0.000 0.210 343 L C 2.961 179.703 176.870 -0.213 0.000 1.081 343 L CA 1.386 56.046 54.840 -0.301 0.000 0.752 343 L CB -1.030 40.903 42.059 -0.210 0.000 0.896 343 L HN 0.367 nan 8.230 nan 0.000 0.433 344 G N 0.917 109.602 108.800 -0.191 0.000 2.459 344 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.217 344 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.217 344 G C 1.294 176.219 174.900 0.041 0.000 1.183 344 G CA 1.085 46.151 45.100 -0.056 0.000 0.776 344 G HN 0.490 nan 8.290 nan 0.000 0.552 345 F N 0.668 120.696 119.950 0.129 0.000 2.456 345 F HA 0.240 4.767 4.527 -0.000 0.000 0.298 345 F C 2.192 178.073 175.800 0.134 0.000 1.104 345 F CA 0.023 58.115 58.000 0.153 0.000 1.435 345 F CB -0.881 38.249 39.000 0.217 0.000 1.078 345 F HN -0.005 nan 8.300 nan 0.000 0.546 346 V N 1.412 121.391 119.914 0.109 0.000 2.295 346 V HA -0.271 3.849 4.120 -0.000 0.000 0.246 346 V C 2.155 178.319 176.094 0.117 0.000 1.049 346 V CA 2.335 64.727 62.300 0.153 0.000 1.024 346 V CB -0.724 31.131 31.823 0.054 0.000 0.648 346 V HN 0.229 nan 8.190 nan 0.000 0.447 347 D N 0.142 120.588 120.400 0.076 0.000 2.123 347 D HA -0.145 4.495 4.640 -0.000 0.000 0.196 347 D C 2.105 178.490 176.300 0.141 0.000 0.992 347 D CA 1.230 55.284 54.000 0.090 0.000 0.833 347 D CB -0.333 40.510 40.800 0.072 0.000 0.954 347 D HN 0.336 nan 8.370 nan 0.000 0.455 348 L N -0.214 121.129 121.223 0.199 0.000 2.131 348 L HA -0.131 4.209 4.340 -0.000 0.000 0.210 348 L C 2.433 179.386 176.870 0.138 0.000 1.092 348 L CA 0.799 55.820 54.840 0.302 0.000 0.759 348 L CB -0.255 42.005 42.059 0.334 0.000 0.903 348 L HN 0.061 nan 8.230 nan 0.000 0.435 349 M N -1.493 118.145 119.600 0.063 0.000 2.288 349 M HA -0.088 4.392 4.480 -0.000 0.000 0.266 349 M C 2.217 178.414 176.300 -0.171 0.000 1.072 349 M CA 1.492 56.738 55.300 -0.089 0.000 1.132 349 M CB -0.039 32.581 32.600 0.033 0.000 1.386 349 M HN 0.105 nan 8.290 nan 0.000 0.432 350 R N -0.517 119.945 120.500 -0.063 0.000 2.167 350 R HA 0.108 4.448 4.340 -0.000 0.000 0.201 350 R C -0.056 176.219 176.300 -0.042 0.000 1.024 350 R CA 0.278 56.349 56.100 -0.049 0.000 1.053 350 R CB 0.301 30.613 30.300 0.021 0.000 0.987 350 R HN 0.252 nan 8.270 nan 0.000 0.493 351 D N 0.182 120.589 120.400 0.012 0.000 2.348 351 D HA 0.012 4.652 4.640 -0.000 0.000 0.249 351 D C 0.274 176.668 176.300 0.155 0.000 1.110 351 D CA -0.084 53.970 54.000 0.090 0.000 0.967 351 D CB 1.157 42.040 40.800 0.139 0.000 1.139 351 D HN -0.114 nan 8.370 nan 0.000 0.466 352 D N -1.265 119.262 120.400 0.213 0.000 2.271 352 D HA -0.067 4.573 4.640 -0.000 0.000 0.206 352 D C -0.688 175.874 176.300 0.436 0.000 0.967 352 D CA 0.518 54.701 54.000 0.304 0.000 0.867 352 D CB 0.279 41.209 40.800 0.216 0.000 0.960 352 D HN 0.309 nan 8.370 nan 0.000 0.509 353 Y N -0.173 120.250 120.300 0.204 0.000 2.362 353 Y HA 0.445 4.995 4.550 -0.000 0.000 0.326 353 Y C -1.693 174.286 175.900 0.131 0.000 1.083 353 Y CA -0.964 57.222 58.100 0.144 0.000 1.073 353 Y CB 1.627 40.139 38.460 0.087 0.000 1.211 353 Y HN -0.331 nan 8.280 nan 0.000 0.433 354 V N 5.993 125.820 119.914 -0.146 0.000 2.409 354 V HA 0.330 4.450 4.120 -0.000 0.000 0.290 354 V C -0.366 175.623 176.094 -0.176 0.000 1.017 354 V CA -0.966 61.307 62.300 -0.045 0.000 0.841 354 V CB 1.376 33.236 31.823 0.062 0.000 1.003 354 V HN 0.677 nan 8.190 nan 0.000 0.426 355 E N 2.832 122.999 120.200 -0.055 0.000 2.366 355 E HA 0.148 4.498 4.350 -0.000 0.000 0.266 355 E C 0.126 176.711 176.600 -0.026 0.000 1.051 355 E CA -0.419 55.960 56.400 -0.036 0.000 0.884 355 E CB 1.138 30.879 29.700 0.068 0.000 1.006 355 E HN 0.570 nan 8.360 nan 0.000 0.417 356 K N 2.024 122.411 120.400 -0.023 0.000 2.530 356 K HA -0.144 4.176 4.320 -0.000 0.000 0.280 356 K C -0.608 175.966 176.600 -0.043 0.000 1.004 356 K CA 0.691 56.961 56.287 -0.028 0.000 1.071 356 K CB 0.299 32.784 32.500 -0.025 0.000 0.876 356 K HN 0.287 nan 8.250 nan 0.000 0.487 357 D N 3.883 124.240 120.400 -0.072 0.000 2.351 357 D HA 0.146 4.786 4.640 -0.000 0.000 0.235 357 D C 0.261 176.481 176.300 -0.133 0.000 1.331 357 D CA -0.477 53.476 54.000 -0.079 0.000 0.959 357 D CB 0.570 41.343 40.800 -0.045 0.000 1.432 357 D HN 0.494 nan 8.370 nan 0.000 0.544 358 R N 0.758 121.147 120.500 -0.185 0.000 2.152 358 R HA -0.069 4.271 4.340 -0.000 0.000 0.232 358 R C 1.821 178.007 176.300 -0.191 0.000 1.117 358 R CA 1.179 57.111 56.100 -0.279 0.000 0.981 358 R CB -0.578 29.545 30.300 -0.295 0.000 0.870 358 R HN 0.502 nan 8.270 nan 0.000 0.451 359 S N 0.200 115.828 115.700 -0.120 0.000 2.474 359 S HA -0.049 4.421 4.470 -0.000 0.000 0.235 359 S C 1.503 176.063 174.600 -0.068 0.000 0.997 359 S CA 0.644 58.796 58.200 -0.081 0.000 0.949 359 S CB 0.000 63.165 63.200 -0.059 0.000 0.766 359 S HN 0.274 nan 8.310 nan 0.000 0.517 360 R N 0.128 120.583 120.500 -0.075 0.000 2.577 360 R HA 0.328 4.668 4.340 -0.000 0.000 0.344 360 R C 1.121 177.396 176.300 -0.042 0.000 1.037 360 R CA 0.285 56.352 56.100 -0.053 0.000 1.102 360 R CB 0.439 30.710 30.300 -0.049 0.000 1.313 360 R HN 0.500 nan 8.270 nan 0.000 0.561 361 G N 1.796 110.542 108.800 -0.089 0.000 2.153 361 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.252 361 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.252 361 G C 0.128 175.025 174.900 -0.004 0.000 0.994 361 G CA -0.076 44.977 45.100 -0.078 0.000 0.698 361 G HN 0.283 nan 8.290 nan 0.000 0.521 362 I N 0.751 121.287 120.570 -0.056 0.000 2.281 362 I HA 0.318 4.488 4.170 -0.000 0.000 0.293 362 I C 1.289 177.360 176.117 -0.077 0.000 1.085 362 I CA -0.883 60.428 61.300 0.019 0.000 1.257 362 I CB 0.415 38.427 38.000 0.019 0.000 1.430 362 I HN 0.070 nan 8.210 nan 0.000 0.489 363 Y N 5.185 125.375 120.300 -0.184 0.000 2.475 363 Y HA 0.153 4.703 4.550 -0.000 0.000 0.289 363 Y C 0.289 175.838 175.900 -0.585 0.000 1.121 363 Y CA 0.571 58.421 58.100 -0.416 0.000 1.257 363 Y CB 0.005 38.083 38.460 -0.636 0.000 1.026 363 Y HN 0.303 nan 8.280 nan 0.000 0.555 364 F N -1.702 118.344 119.950 0.159 0.000 2.576 364 F HA 0.375 4.901 4.527 -0.000 0.000 0.313 364 F C 0.242 176.021 175.800 -0.035 0.000 1.078 364 F CA -1.751 56.288 58.000 0.064 0.000 0.921 364 F CB 0.992 40.023 39.000 0.052 0.000 1.232 364 F HN -0.494 nan 8.300 nan 0.000 0.459 365 T N 1.830 116.453 114.554 0.115 0.000 2.888 365 T HA 0.189 4.538 4.350 -0.000 0.000 0.301 365 T C -0.377 174.214 174.700 -0.182 0.000 1.001 365 T CA 0.086 62.133 62.100 -0.090 0.000 1.147 365 T CB 0.443 69.241 68.868 -0.117 0.000 0.931 365 T HN 0.419 nan 8.240 nan 0.000 0.541 366 Q N 2.782 122.386 119.800 -0.326 0.000 2.341 366 Q HA 0.322 4.662 4.340 -0.000 0.000 0.268 366 Q C -1.395 174.272 176.000 -0.556 0.000 1.013 366 Q CA -0.656 54.889 55.803 -0.430 0.000 0.798 366 Q CB 1.181 29.686 28.738 -0.388 0.000 1.253 366 Q HN 0.496 nan 8.270 nan 0.000 0.457 367 D N 3.826 123.947 120.400 -0.465 0.000 2.349 367 D HA 0.263 4.903 4.640 -0.000 0.000 0.232 367 D C -1.079 175.094 176.300 -0.212 0.000 1.071 367 D CA -0.206 53.687 54.000 -0.177 0.000 0.832 367 D CB 0.452 41.289 40.800 0.062 0.000 1.086 367 D HN 0.467 nan 8.370 nan 0.000 0.504 371 M N 3.986 123.665 119.600 0.132 0.000 2.260 371 M HA 0.178 4.658 4.480 -0.000 0.000 0.348 371 M C -2.598 173.685 176.300 -0.028 0.000 1.342 371 M CA -0.718 54.622 55.300 0.065 0.000 1.040 371 M CB 0.225 32.898 32.600 0.122 0.000 1.810 371 M HN -0.147 nan 8.290 nan 0.000 0.453 372 P HA 0.108 nan 4.420 nan 0.000 0.267 372 P C -0.419 176.789 177.300 -0.154 0.000 1.200 372 P CA -0.060 62.999 63.100 -0.069 0.000 0.772 372 P CB 0.345 32.016 31.700 -0.049 0.000 0.855 373 G N 0.857 109.582 108.800 -0.125 0.000 2.507 373 G HA2 0.445 4.405 3.960 -0.000 0.000 0.271 373 G HA3 0.445 4.405 3.960 -0.000 0.000 0.271 373 G C -0.856 173.966 174.900 -0.130 0.000 1.189 373 G CA -0.404 44.594 45.100 -0.170 0.000 0.859 373 G HN 0.359 nan 8.290 nan 0.000 0.542 374 V N 2.224 122.047 119.914 -0.152 0.000 2.435 374 V HA 0.305 4.425 4.120 -0.000 0.000 0.290 374 V C 0.334 176.398 176.094 -0.051 0.000 1.030 374 V CA -0.724 61.513 62.300 -0.105 0.000 0.881 374 V CB 1.516 33.243 31.823 -0.159 0.000 0.983 374 V HN 0.813 nan 8.190 nan 0.000 0.445 375 M N 9.572 129.164 119.600 -0.013 0.000 2.227 375 M HA 0.312 4.791 4.480 -0.000 0.000 0.349 375 M C -2.316 173.925 176.300 -0.098 0.000 1.443 375 M CA -1.204 54.066 55.300 -0.050 0.000 1.110 375 M CB 0.691 33.237 32.600 -0.089 0.000 1.773 375 M HN 0.359 nan 8.290 nan 0.000 0.463 376 P HA 0.137 nan 4.420 nan 0.000 0.275 376 P C -1.290 175.850 177.300 -0.266 0.000 1.227 376 P CA -0.271 62.785 63.100 -0.073 0.000 0.781 376 P CB 0.731 32.488 31.700 0.096 0.000 0.906 377 V N 2.700 122.425 119.914 -0.316 0.000 2.407 377 V HA 0.505 4.625 4.120 -0.000 0.000 0.291 377 V C 0.369 176.162 176.094 -0.502 0.000 1.018 377 V CA -0.816 61.208 62.300 -0.459 0.000 0.842 377 V CB 1.266 32.772 31.823 -0.529 0.000 0.996 377 V HN 0.690 nan 8.190 nan 0.000 0.426 378 A N 3.846 126.315 122.820 -0.585 0.000 2.260 378 A HA 0.827 5.147 4.320 -0.000 0.000 0.308 378 A C 0.028 177.366 177.584 -0.410 0.000 1.254 378 A CA -0.226 51.508 52.037 -0.504 0.000 0.874 378 A CB 1.027 19.595 19.000 -0.719 0.000 1.153 378 A HN 0.811 nan 8.150 nan 0.000 0.527 379 S N 1.458 116.990 115.700 -0.279 0.000 2.533 379 S HA 0.759 5.229 4.470 -0.000 0.000 0.271 379 S C -0.514 173.992 174.600 -0.158 0.000 1.143 379 S CA 0.371 58.438 58.200 -0.222 0.000 0.891 379 S CB 1.395 64.552 63.200 -0.072 0.000 1.105 379 S HN 2.571 nan 8.310 nan 0.000 0.468 380 G N 1.637 110.326 108.800 -0.184 0.000 3.152 380 G HA2 0.446 4.406 3.960 -0.000 0.000 0.666 380 G HA3 0.446 4.406 3.960 -0.000 0.000 0.666 380 G C 0.808 175.554 174.900 -0.256 0.000 1.205 380 G CA 0.275 45.275 45.100 -0.166 0.000 1.178 380 G HN 2.109 nan 8.290 nan 0.000 0.510 381 G N 0.362 109.033 108.800 -0.216 0.000 2.176 381 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.252 381 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.252 381 G C 0.620 175.486 174.900 -0.056 0.000 1.024 381 G CA 0.972 45.935 45.100 -0.228 0.000 0.755 381 G HN 2.295 nan 8.290 nan 0.000 0.507 382 I N -2.007 118.510 120.570 -0.088 0.000 2.577 382 I HA 0.955 5.125 4.170 -0.000 0.000 0.305 382 I C 0.231 176.543 176.117 0.325 0.000 0.986 382 I CA -1.279 60.037 61.300 0.027 0.000 1.189 382 I CB 1.575 39.434 38.000 -0.235 0.000 1.355 382 I HN 0.345 nan 8.210 nan 0.000 0.476 383 H N 1.512 120.939 119.070 0.596 0.000 2.947 383 H HA 0.444 5.000 4.556 -0.000 0.000 0.290 383 H C 0.635 176.117 175.328 0.256 0.000 1.430 383 H CA -0.414 55.786 56.048 0.254 0.000 1.189 383 H CB 0.587 30.230 29.762 -0.198 0.000 1.875 383 H HN 0.361 nan 8.280 nan 0.000 0.568 384 V N -2.776 117.295 119.914 0.261 0.000 2.380 384 V HA -0.256 3.864 4.120 -0.000 0.000 0.251 384 V C 1.362 177.466 176.094 0.017 0.000 1.063 384 V CA 1.882 64.186 62.300 0.007 0.000 1.055 384 V CB -1.266 30.470 31.823 -0.146 0.000 0.657 384 V HN 0.784 nan 8.190 nan 0.000 0.455 385 W N -0.243 121.196 121.300 0.231 0.000 2.465 385 W HA 0.013 4.673 4.660 -0.000 0.000 0.268 385 W C 2.634 179.116 176.519 -0.061 0.000 1.242 385 W CA 1.182 58.565 57.345 0.063 0.000 1.248 385 W CB -0.465 29.061 29.460 0.111 0.000 1.118 385 W HN 0.359 nan 8.180 nan 0.000 0.587 386 H N -0.814 118.372 119.070 0.194 0.000 2.547 386 H HA -0.014 4.542 4.556 -0.000 0.000 0.272 386 H C 1.895 177.316 175.328 0.156 0.000 0.989 386 H CA 1.080 57.200 56.048 0.120 0.000 1.214 386 H CB -0.422 29.354 29.762 0.023 0.000 1.389 386 H HN 0.181 nan 8.280 nan 0.000 0.577 387 M N 1.507 121.261 119.600 0.257 0.000 2.073 387 M HA -0.094 4.386 4.480 -0.000 0.000 0.258 387 M C -0.926 175.475 176.300 0.168 0.000 1.070 387 M CA 1.747 57.170 55.300 0.206 0.000 1.103 387 M CB -0.919 31.744 32.600 0.105 0.000 1.321 387 M HN 0.063 nan 8.290 nan 0.000 0.405 388 P HA -0.087 nan 4.420 nan 0.000 0.215 388 P C 1.148 178.524 177.300 0.126 0.000 1.153 388 P CA 2.238 65.410 63.100 0.119 0.000 0.853 388 P CB -0.382 31.387 31.700 0.116 0.000 0.788 389 A N -0.646 122.264 122.820 0.150 0.000 1.902 389 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 389 A C 2.236 179.903 177.584 0.138 0.000 1.181 389 A CA 1.552 53.668 52.037 0.131 0.000 0.623 389 A CB -1.697 17.396 19.000 0.155 0.000 0.818 389 A HN 0.111 nan 8.150 nan 0.000 0.443 390 L N -0.647 120.694 121.223 0.197 0.000 2.017 390 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 390 L C 2.514 179.558 176.870 0.291 0.000 1.073 390 L CA 1.087 56.099 54.840 0.287 0.000 0.745 390 L CB -0.576 41.633 42.059 0.251 0.000 0.894 390 L HN 0.238 nan 8.230 nan 0.000 0.432 391 V N -0.379 119.650 119.914 0.192 0.000 2.407 391 V HA -0.255 3.865 4.120 -0.000 0.000 0.248 391 V C 2.592 178.755 176.094 0.115 0.000 1.055 391 V CA 1.757 64.147 62.300 0.151 0.000 1.049 391 V CB -0.520 31.368 31.823 0.108 0.000 0.662 391 V HN 0.483 nan 8.190 nan 0.000 0.455 392 E N 0.348 120.599 120.200 0.086 0.000 2.072 392 E HA -0.183 4.167 4.350 -0.000 0.000 0.191 392 E C 2.172 178.764 176.600 -0.014 0.000 0.985 392 E CA 1.545 57.968 56.400 0.038 0.000 0.801 392 E CB -0.114 29.606 29.700 0.032 0.000 0.750 392 E HN 0.609 nan 8.360 nan 0.000 0.452 393 I N -0.375 120.159 120.570 -0.060 0.000 2.202 393 I HA -0.244 3.926 4.170 -0.000 0.000 0.242 393 I C 2.020 177.922 176.117 -0.358 0.000 1.091 393 I CA 1.148 62.279 61.300 -0.282 0.000 1.368 393 I CB -0.211 37.491 38.000 -0.497 0.000 1.058 393 I HN 0.033 nan 8.210 nan 0.000 0.410 394 F N 0.127 120.073 119.950 -0.006 0.000 2.505 394 F HA 0.325 4.852 4.527 -0.000 0.000 0.289 394 F C 1.657 177.459 175.800 0.002 0.000 1.101 394 F CA 0.647 58.642 58.000 -0.009 0.000 1.446 394 F CB -0.622 38.370 39.000 -0.014 0.000 1.123 394 F HN 0.152 nan 8.300 nan 0.000 0.564 395 G N 0.773 109.678 108.800 0.175 0.000 2.598 395 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.244 395 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.244 395 G C 0.236 175.209 174.900 0.121 0.000 1.302 395 G CA 0.195 45.365 45.100 0.116 0.000 0.903 395 G HN 0.164 nan 8.290 nan 0.000 0.575 396 D N 0.573 121.027 120.400 0.089 0.000 2.234 396 D HA 0.080 4.720 4.640 -0.000 0.000 0.205 396 D C 0.890 177.230 176.300 0.067 0.000 0.962 396 D CA 1.086 55.131 54.000 0.076 0.000 0.855 396 D CB -0.105 40.738 40.800 0.071 0.000 0.951 396 D HN 0.357 nan 8.370 nan 0.000 0.500 397 D N 0.876 121.321 120.400 0.075 0.000 2.608 397 D HA 0.459 5.098 4.640 -0.000 0.000 0.224 397 D C -0.343 175.978 176.300 0.034 0.000 1.123 397 D CA 0.132 54.165 54.000 0.056 0.000 1.030 397 D CB 0.097 40.934 40.800 0.062 0.000 1.093 397 D HN 0.023 nan 8.370 nan 0.000 0.497 398 A N 0.166 122.975 122.820 -0.017 0.000 2.608 398 A HA 0.503 4.823 4.320 -0.000 0.000 0.292 398 A C -1.192 176.297 177.584 -0.159 0.000 1.066 398 A CA -0.757 51.203 52.037 -0.129 0.000 0.676 398 A CB 1.401 20.286 19.000 -0.192 0.000 1.277 398 A HN 0.365 nan 8.150 nan 0.000 0.413 399 C N 1.882 121.029 119.300 -0.255 0.000 2.351 399 C HA 0.779 5.239 4.460 -0.000 0.000 0.326 399 C C -0.711 174.126 174.990 -0.256 0.000 1.272 399 C CA -0.544 58.362 59.018 -0.186 0.000 1.650 399 C CB -0.874 26.747 27.740 -0.199 0.000 2.257 399 C HN 0.653 nan 8.230 nan 0.000 0.505 400 L N 6.409 127.540 121.223 -0.153 0.000 2.287 400 L HA 0.511 4.851 4.340 -0.000 0.000 0.287 400 L C -0.149 176.576 176.870 -0.242 0.000 1.022 400 L CA -0.131 54.562 54.840 -0.244 0.000 0.814 400 L CB 1.153 43.177 42.059 -0.057 0.000 1.217 400 L HN 0.636 nan 8.230 nan 0.000 0.420 401 Q N 3.374 122.896 119.800 -0.462 0.000 2.316 401 Q HA 0.536 4.876 4.340 -0.000 0.000 0.264 401 Q C -1.490 174.173 176.000 -0.561 0.000 0.987 401 Q CA -0.444 55.165 55.803 -0.322 0.000 0.852 401 Q CB 2.459 31.093 28.738 -0.175 0.000 1.287 401 Q HN 0.423 nan 8.270 nan 0.000 0.448 402 F N 0.975 120.903 119.950 -0.037 0.000 2.532 402 F HA 0.341 4.868 4.527 -0.000 0.000 0.365 402 F C 0.877 176.660 175.800 -0.029 0.000 1.112 402 F CA -0.673 57.304 58.000 -0.039 0.000 1.082 402 F CB 1.237 40.218 39.000 -0.033 0.000 1.319 402 F HN 0.744 nan 8.300 nan 0.000 0.457 403 G N 1.546 110.392 108.800 0.077 0.000 2.658 403 G HA2 0.041 4.001 3.960 -0.000 0.000 0.217 403 G HA3 0.041 4.001 3.960 -0.000 0.000 0.217 403 G C 1.783 176.732 174.900 0.081 0.000 1.319 403 G CA 0.614 45.752 45.100 0.062 0.000 0.885 403 G HN 0.732 nan 8.290 nan 0.000 0.553 404 G N 0.687 109.525 108.800 0.063 0.000 2.469 404 G HA2 0.014 3.974 3.960 -0.000 0.000 0.220 404 G HA3 0.014 3.974 3.960 -0.000 0.000 0.220 404 G C 1.698 176.633 174.900 0.058 0.000 1.136 404 G CA 1.416 46.566 45.100 0.083 0.000 0.759 404 G HN 0.733 nan 8.290 nan 0.000 0.562 405 G N -0.779 107.999 108.800 -0.036 0.000 2.625 405 G HA2 0.108 4.068 3.960 -0.000 0.000 0.214 405 G HA3 0.108 4.068 3.960 -0.000 0.000 0.214 405 G C 1.477 176.445 174.900 0.114 0.000 1.132 405 G CA 1.631 46.623 45.100 -0.179 0.000 0.782 405 G HN 0.434 nan 8.290 nan 0.000 0.538 406 T N 0.150 114.815 114.554 0.184 0.000 3.114 406 T HA 0.102 4.451 4.350 -0.000 0.000 0.240 406 T C 1.956 176.777 174.700 0.202 0.000 0.983 406 T CA -0.101 62.105 62.100 0.176 0.000 1.151 406 T CB -0.041 68.886 68.868 0.100 0.000 0.974 406 T HN 0.054 nan 8.240 nan 0.000 0.442 407 L N 1.610 122.929 121.223 0.161 0.000 2.551 407 L HA 0.272 4.612 4.340 -0.000 0.000 0.228 407 L C 2.245 179.235 176.870 0.200 0.000 1.153 407 L CA 0.803 55.727 54.840 0.139 0.000 0.851 407 L CB -0.284 41.823 42.059 0.080 0.000 0.959 407 L HN 0.369 nan 8.230 nan 0.000 0.451 408 G N -2.980 106.011 108.800 0.319 0.000 3.088 408 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.217 408 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.217 408 G C 0.553 175.668 174.900 0.359 0.000 1.159 408 G CA -0.287 45.055 45.100 0.404 0.000 0.760 408 G HN 0.285 nan 8.290 nan 0.000 0.550 409 H N 1.945 121.163 119.070 0.247 0.000 2.848 409 H HA 0.083 4.639 4.556 -0.000 0.000 0.341 409 H C -1.125 174.166 175.328 -0.061 0.000 1.060 409 H CA -1.065 54.980 56.048 -0.005 0.000 1.444 409 H CB 2.050 31.824 29.762 0.021 0.000 1.446 409 H HN 0.011 nan 8.280 nan 0.000 0.583 410 P HA -0.122 nan 4.420 nan 0.000 0.225 410 P C 0.631 178.147 177.300 0.359 0.000 1.148 410 P CA 1.023 64.095 63.100 -0.047 0.000 0.779 410 P CB 0.101 31.674 31.700 -0.213 0.000 0.780 411 W N 0.251 121.722 121.300 0.285 0.000 3.220 411 W HA 0.506 5.166 4.660 -0.000 0.000 0.328 411 W C 1.092 177.662 176.519 0.085 0.000 1.205 411 W CA 0.433 57.880 57.345 0.170 0.000 1.773 411 W CB -0.554 29.005 29.460 0.164 0.000 1.086 411 W HN 0.045 nan 8.180 nan 0.000 0.622 412 G N 0.872 109.856 108.800 0.306 0.000 2.498 412 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.651 412 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.651 412 G C 0.610 175.546 174.900 0.060 0.000 1.284 412 G CA -0.197 44.989 45.100 0.144 0.000 0.950 412 G HN -0.049 nan 8.290 nan 0.000 0.511 413 N N -0.012 118.698 118.700 0.016 0.000 2.084 413 N HA 0.014 4.754 4.740 -0.000 0.000 0.190 413 N C 2.740 178.198 175.510 -0.086 0.000 1.030 413 N CA 2.699 55.733 53.050 -0.027 0.000 0.849 413 N CB -0.674 37.787 38.487 -0.043 0.000 1.012 413 N HN 1.100 nan 8.380 nan 0.000 0.423 414 A N 1.274 124.031 122.820 -0.104 0.000 1.877 414 A HA -0.031 4.289 4.320 -0.000 0.000 0.216 414 A C -0.208 177.293 177.584 -0.138 0.000 1.186 414 A CA 1.294 53.253 52.037 -0.131 0.000 0.620 414 A CB -1.499 17.418 19.000 -0.138 0.000 0.822 414 A HN 0.233 nan 8.150 nan 0.000 0.443 415 P HA -0.057 nan 4.420 nan 0.000 0.217 415 P C 1.716 178.675 177.300 -0.569 0.000 1.150 415 P CA 1.605 64.546 63.100 -0.265 0.000 0.832 415 P CB -0.312 31.312 31.700 -0.127 0.000 0.787 416 G N 0.292 108.757 108.800 -0.558 0.000 2.421 416 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.216 416 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.216 416 G C 1.666 176.467 174.900 -0.164 0.000 1.171 416 G CA 0.958 45.856 45.100 -0.337 0.000 0.775 416 G HN 0.306 nan 8.290 nan 0.000 0.543 417 A N 1.195 123.932 122.820 -0.137 0.000 1.902 417 A HA 0.244 4.564 4.320 -0.000 0.000 0.217 417 A C 2.824 180.335 177.584 -0.121 0.000 1.181 417 A CA 2.339 54.311 52.037 -0.109 0.000 0.623 417 A CB -0.821 18.122 19.000 -0.094 0.000 0.818 417 A HN 0.805 nan 8.150 nan 0.000 0.443 418 A N -0.158 122.583 122.820 -0.131 0.000 1.902 418 A HA 0.162 4.482 4.320 -0.000 0.000 0.217 418 A C 2.513 180.037 177.584 -0.101 0.000 1.181 418 A CA 2.098 54.075 52.037 -0.100 0.000 0.623 418 A CB -1.041 17.904 19.000 -0.091 0.000 0.818 418 A HN 1.067 nan 8.150 nan 0.000 0.443 419 A N 0.455 123.189 122.820 -0.142 0.000 1.883 419 A HA -0.260 4.060 4.320 -0.000 0.000 0.217 419 A C 1.899 179.398 177.584 -0.141 0.000 1.186 419 A CA 1.951 53.919 52.037 -0.116 0.000 0.624 419 A CB -0.943 18.013 19.000 -0.073 0.000 0.822 419 A HN 0.712 nan 8.150 nan 0.000 0.444 420 N N -1.216 117.361 118.700 -0.204 0.000 2.166 420 N HA -0.171 4.569 4.740 -0.000 0.000 0.186 420 N C 1.962 177.350 175.510 -0.204 0.000 1.019 420 N CA 1.371 54.216 53.050 -0.342 0.000 0.856 420 N CB -0.141 38.019 38.487 -0.546 0.000 0.993 420 N HN 0.457 nan 8.380 nan 0.000 0.426 421 R N 1.159 121.585 120.500 -0.124 0.000 2.066 421 R HA -0.012 4.328 4.340 -0.000 0.000 0.232 421 R C 1.760 178.041 176.300 -0.033 0.000 1.131 421 R CA 1.039 57.101 56.100 -0.063 0.000 0.955 421 R CB -0.741 29.530 30.300 -0.047 0.000 0.851 421 R HN 0.003 nan 8.270 nan 0.000 0.432 422 V N 1.004 120.909 119.914 -0.015 0.000 2.287 422 V HA -0.252 3.867 4.120 -0.000 0.000 0.248 422 V C 2.385 178.478 176.094 -0.001 0.000 1.053 422 V CA 2.057 64.381 62.300 0.040 0.000 1.027 422 V CB -1.060 30.831 31.823 0.114 0.000 0.646 422 V HN 0.564 nan 8.190 nan 0.000 0.447 423 A N -0.193 122.596 122.820 -0.051 0.000 1.883 423 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 423 A C 2.185 179.745 177.584 -0.038 0.000 1.186 423 A CA 2.294 54.288 52.037 -0.072 0.000 0.624 423 A CB -0.638 18.283 19.000 -0.133 0.000 0.822 423 A HN 0.475 nan 8.150 nan 0.000 0.444 424 L N 0.015 121.218 121.223 -0.034 0.000 2.017 424 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 424 L C 2.193 179.067 176.870 0.006 0.000 1.073 424 L CA 2.491 57.334 54.840 0.006 0.000 0.745 424 L CB -0.652 41.417 42.059 0.017 0.000 0.894 424 L HN 0.515 nan 8.230 nan 0.000 0.432 425 E N -0.392 119.805 120.200 -0.005 0.000 2.106 425 E HA -0.175 4.175 4.350 -0.000 0.000 0.192 425 E C 2.151 178.737 176.600 -0.023 0.000 0.984 425 E CA 0.971 57.366 56.400 -0.009 0.000 0.806 425 E CB -0.264 29.430 29.700 -0.010 0.000 0.750 425 E HN 0.670 nan 8.360 nan 0.000 0.458 426 A N 0.971 123.774 122.820 -0.030 0.000 1.877 426 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 426 A C 2.460 180.029 177.584 -0.024 0.000 1.186 426 A CA 1.293 53.303 52.037 -0.044 0.000 0.620 426 A CB -0.885 18.090 19.000 -0.042 0.000 0.822 426 A HN 0.346 nan 8.150 nan 0.000 0.443 427 C N -1.140 118.157 119.300 -0.005 0.000 2.446 427 C HA -0.059 4.401 4.460 -0.000 0.000 0.277 427 C C 3.057 178.057 174.990 0.017 0.000 1.275 427 C CA 1.479 60.505 59.018 0.015 0.000 1.727 427 C CB -1.482 26.279 27.740 0.036 0.000 2.010 427 C HN 0.656 nan 8.230 nan 0.000 0.486 428 T N 0.234 114.797 114.554 0.016 0.000 2.708 428 T HA -0.273 4.077 4.350 -0.000 0.000 0.266 428 T C 1.859 176.563 174.700 0.006 0.000 1.037 428 T CA 1.797 63.908 62.100 0.019 0.000 1.146 428 T CB -0.425 68.456 68.868 0.021 0.000 0.865 428 T HN 0.671 nan 8.240 nan 0.000 0.435 429 Q N 0.636 120.431 119.800 -0.010 0.000 2.096 429 Q HA -0.132 4.208 4.340 -0.000 0.000 0.204 429 Q C 2.500 178.489 176.000 -0.018 0.000 0.982 429 Q CA 1.567 57.357 55.803 -0.021 0.000 0.850 429 Q CB -0.314 28.396 28.738 -0.046 0.000 0.901 429 Q HN 0.542 nan 8.270 nan 0.000 0.422 430 A N 1.400 124.211 122.820 -0.015 0.000 1.877 430 A HA -0.225 4.095 4.320 -0.000 0.000 0.216 430 A C 2.159 179.744 177.584 0.002 0.000 1.186 430 A CA 1.562 53.594 52.037 -0.008 0.000 0.620 430 A CB -0.757 18.241 19.000 -0.003 0.000 0.822 430 A HN 0.434 nan 8.150 nan 0.000 0.443 431 R N 0.109 120.615 120.500 0.010 0.000 2.083 431 R HA -0.165 4.175 4.340 -0.000 0.000 0.237 431 R C 1.887 178.193 176.300 0.011 0.000 1.137 431 R CA 1.928 58.037 56.100 0.015 0.000 0.951 431 R CB -0.573 29.741 30.300 0.024 0.000 0.851 431 R HN 0.741 nan 8.270 nan 0.000 0.434 432 N N 0.100 118.804 118.700 0.008 0.000 2.205 432 N HA -0.160 4.580 4.740 -0.000 0.000 0.186 432 N C 1.085 176.595 175.510 0.000 0.000 1.015 432 N CA 1.139 54.192 53.050 0.005 0.000 0.862 432 N CB -0.014 38.475 38.487 0.003 0.000 0.986 432 N HN 0.427 nan 8.380 nan 0.000 0.429 433 E N -0.359 119.839 120.200 -0.004 0.000 2.511 433 E HA 0.028 4.378 4.350 -0.000 0.000 0.196 433 E C 0.949 177.548 176.600 -0.002 0.000 1.066 433 E CA 0.159 56.555 56.400 -0.006 0.000 0.871 433 E CB 0.287 29.979 29.700 -0.013 0.000 0.863 433 E HN 0.472 nan 8.360 nan 0.000 0.520 434 G N 1.697 110.498 108.800 0.002 0.000 2.179 434 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.220 434 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.220 434 G C 0.162 175.066 174.900 0.006 0.000 0.990 434 G CA -0.455 44.648 45.100 0.004 0.000 0.646 434 G HN 0.076 nan 8.290 nan 0.000 0.517 435 R N 0.644 121.148 120.500 0.007 0.000 2.543 435 R HA 0.327 4.667 4.340 -0.000 0.000 0.277 435 R C -0.706 175.603 176.300 0.015 0.000 1.074 435 R CA -0.338 55.768 56.100 0.010 0.000 1.076 435 R CB 0.658 30.963 30.300 0.010 0.000 0.993 435 R HN 0.207 nan 8.270 nan 0.000 0.459 436 D N 3.304 123.715 120.400 0.017 0.000 2.365 436 D HA 0.056 4.696 4.640 -0.000 0.000 0.237 436 D C 1.046 177.363 176.300 0.028 0.000 1.190 436 D CA -0.130 53.882 54.000 0.020 0.000 0.867 436 D CB 0.723 41.533 40.800 0.017 0.000 1.050 436 D HN 0.416 nan 8.370 nan 0.000 0.491 437 L N 3.109 124.351 121.223 0.032 0.000 2.201 437 L HA -0.098 4.242 4.340 -0.000 0.000 0.212 437 L C 2.310 179.209 176.870 0.050 0.000 1.105 437 L CA 0.953 55.819 54.840 0.044 0.000 0.775 437 L CB -0.259 41.830 42.059 0.049 0.000 0.913 437 L HN 0.465 nan 8.230 nan 0.000 0.440 438 A N -0.232 122.611 122.820 0.039 0.000 1.972 438 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 438 A C 2.366 179.974 177.584 0.039 0.000 1.169 438 A CA 1.275 53.334 52.037 0.038 0.000 0.635 438 A CB -0.195 18.819 19.000 0.024 0.000 0.810 438 A HN 0.259 nan 8.150 nan 0.000 0.446 439 R N -0.777 119.744 120.500 0.035 0.000 2.167 439 R HA 0.124 4.464 4.340 -0.000 0.000 0.201 439 R C 0.900 177.225 176.300 0.041 0.000 1.024 439 R CA 1.027 57.147 56.100 0.034 0.000 1.053 439 R CB -0.184 30.131 30.300 0.025 0.000 0.987 439 R HN 0.671 nan 8.270 nan 0.000 0.493 440 E N -0.210 120.016 120.200 0.044 0.000 2.498 440 E HA 0.143 4.493 4.350 -0.000 0.000 0.203 440 E C 1.483 178.120 176.600 0.062 0.000 1.013 440 E CA 0.141 56.569 56.400 0.047 0.000 0.927 440 E CB 0.628 30.349 29.700 0.034 0.000 1.012 440 E HN 0.271 nan 8.360 nan 0.000 0.482 441 G N 1.628 110.473 108.800 0.074 0.000 2.476 441 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.218 441 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.218 441 G C 1.516 176.495 174.900 0.131 0.000 1.164 441 G CA 0.950 46.107 45.100 0.095 0.000 0.768 441 G HN 0.387 nan 8.290 nan 0.000 0.560 442 G N 0.769 109.666 108.800 0.161 0.000 2.440 442 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.218 442 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.218 442 G C 1.482 176.501 174.900 0.199 0.000 1.154 442 G CA 1.381 46.625 45.100 0.240 0.000 0.767 442 G HN 0.362 nan 8.290 nan 0.000 0.552 443 D N 0.205 120.678 120.400 0.122 0.000 2.144 443 D HA -0.078 4.562 4.640 -0.000 0.000 0.200 443 D C 2.782 179.122 176.300 0.066 0.000 0.978 443 D CA 0.698 54.751 54.000 0.089 0.000 0.833 443 D CB -0.439 40.397 40.800 0.061 0.000 0.961 443 D HN 0.222 nan 8.370 nan 0.000 0.470 444 V N 1.642 121.588 119.914 0.055 0.000 2.295 444 V HA -0.218 3.902 4.120 -0.000 0.000 0.246 444 V C 2.485 178.581 176.094 0.004 0.000 1.049 444 V CA 1.033 63.348 62.300 0.024 0.000 1.024 444 V CB -0.248 31.588 31.823 0.022 0.000 0.648 444 V HN 0.156 nan 8.190 nan 0.000 0.447 445 I N -0.079 120.489 120.570 -0.003 0.000 2.179 445 I HA -0.189 3.981 4.170 -0.000 0.000 0.242 445 I C 2.653 178.702 176.117 -0.113 0.000 1.088 445 I CA 1.613 62.839 61.300 -0.122 0.000 1.357 445 I CB -1.295 36.538 38.000 -0.278 0.000 1.051 445 I HN 0.311 nan 8.210 nan 0.000 0.409 446 R N 0.297 120.808 120.500 0.019 0.000 2.091 446 R HA -0.141 4.199 4.340 -0.000 0.000 0.238 446 R C 2.488 178.820 176.300 0.053 0.000 1.136 446 R CA 1.766 57.913 56.100 0.078 0.000 0.959 446 R CB -0.312 30.084 30.300 0.161 0.000 0.856 446 R HN 0.291 nan 8.270 nan 0.000 0.437 447 S N 0.440 116.168 115.700 0.047 0.000 2.368 447 S HA -0.128 4.342 4.470 -0.000 0.000 0.225 447 S C 1.999 176.645 174.600 0.076 0.000 1.030 447 S CA 1.245 59.476 58.200 0.051 0.000 0.999 447 S CB -0.089 63.126 63.200 0.025 0.000 0.844 447 S HN 0.489 nan 8.310 nan 0.000 0.459 448 A N 0.246 123.096 122.820 0.050 0.000 1.968 448 A HA -0.088 4.231 4.320 -0.000 0.000 0.217 448 A C 2.349 180.013 177.584 0.133 0.000 1.169 448 A CA 1.162 53.266 52.037 0.111 0.000 0.638 448 A CB -1.113 17.911 19.000 0.040 0.000 0.812 448 A HN 0.608 nan 8.150 nan 0.000 0.446 449 C N -0.541 118.773 119.300 0.024 0.000 2.429 449 C HA -0.080 4.380 4.460 -0.000 0.000 0.277 449 C C 2.632 177.648 174.990 0.042 0.000 1.262 449 C CA 1.387 60.400 59.018 -0.008 0.000 1.733 449 C CB -1.033 26.679 27.740 -0.047 0.000 2.010 449 C HN 0.614 nan 8.230 nan 0.000 0.483 450 K N -1.176 119.274 120.400 0.083 0.000 2.283 450 K HA -0.176 4.144 4.320 -0.000 0.000 0.202 450 K C 1.705 178.386 176.600 0.136 0.000 1.048 450 K CA 1.426 57.769 56.287 0.093 0.000 0.948 450 K CB -0.109 32.449 32.500 0.097 0.000 0.742 450 K HN 0.744 nan 8.250 nan 0.000 0.458 451 W N 0.424 121.717 121.300 -0.011 0.000 2.574 451 W HA 0.138 4.797 4.660 -0.000 0.000 0.282 451 W C 0.436 176.954 176.519 -0.003 0.000 1.197 451 W CA 0.271 57.613 57.345 -0.006 0.000 1.376 451 W CB 0.334 29.788 29.460 -0.011 0.000 1.091 451 W HN -0.269 nan 8.180 nan 0.000 0.569 452 S N 1.125 116.759 115.700 -0.110 0.000 2.438 452 S HA 0.296 4.766 4.470 -0.000 0.000 0.316 452 S C -1.613 172.887 174.600 -0.168 0.000 1.084 452 S CA -1.548 56.457 58.200 -0.324 0.000 1.107 452 S CB 1.298 64.443 63.200 -0.093 0.000 0.981 452 S HN -0.132 nan 8.310 nan 0.000 0.466 453 P HA -0.028 nan 4.420 nan 0.000 0.217 453 P C 0.919 178.166 177.300 -0.088 0.000 1.150 453 P CA 0.911 64.012 63.100 0.001 0.000 0.832 453 P CB 0.212 32.003 31.700 0.153 0.000 0.787 454 E N -0.472 119.683 120.200 -0.074 0.000 2.038 454 E HA -0.168 4.182 4.350 -0.000 0.000 0.195 454 E C 1.864 178.352 176.600 -0.185 0.000 1.000 454 E CA 0.886 57.164 56.400 -0.204 0.000 0.803 454 E CB -1.325 28.315 29.700 -0.100 0.000 0.750 454 E HN 0.082 nan 8.360 nan 0.000 0.448 455 L N 0.517 121.661 121.223 -0.133 0.000 2.046 455 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 455 L C 2.047 178.812 176.870 -0.175 0.000 1.077 455 L CA 2.099 56.864 54.840 -0.125 0.000 0.747 455 L CB -0.983 41.024 42.059 -0.087 0.000 0.896 455 L HN 0.127 nan 8.230 nan 0.000 0.432 456 A N -0.461 122.260 122.820 -0.166 0.000 1.908 456 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 456 A C 2.465 179.909 177.584 -0.235 0.000 1.181 456 A CA 2.066 54.013 52.037 -0.151 0.000 0.627 456 A CB -1.204 17.743 19.000 -0.089 0.000 0.818 456 A HN 0.586 nan 8.150 nan 0.000 0.445 457 A N -0.275 122.299 122.820 -0.410 0.000 1.902 457 A HA 0.158 4.477 4.320 -0.000 0.000 0.217 457 A C 2.513 179.693 177.584 -0.674 0.000 1.181 457 A CA 2.145 53.797 52.037 -0.642 0.000 0.623 457 A CB -1.007 17.225 19.000 -1.281 0.000 0.818 457 A HN 1.077 nan 8.150 nan 0.000 0.443 458 A N -0.986 121.506 122.820 -0.546 0.000 1.902 458 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 458 A C 2.304 179.770 177.584 -0.197 0.000 1.181 458 A CA 1.652 53.449 52.037 -0.399 0.000 0.623 458 A CB -1.312 17.711 19.000 0.038 0.000 0.818 458 A HN 0.596 nan 8.150 nan 0.000 0.443 459 C N -0.701 118.509 119.300 -0.150 0.000 2.413 459 C HA -0.092 4.368 4.460 -0.000 0.000 0.277 459 C C 2.703 177.852 174.990 0.265 0.000 1.265 459 C CA 1.236 60.279 59.018 0.040 0.000 1.752 459 C CB -0.983 26.667 27.740 -0.150 0.000 1.998 459 C HN 0.693 nan 8.230 nan 0.000 0.489 460 E N 0.897 121.088 120.200 -0.015 0.000 2.047 460 E HA -0.146 4.204 4.350 -0.000 0.000 0.191 460 E C 2.171 178.676 176.600 -0.158 0.000 0.987 460 E CA 1.411 57.776 56.400 -0.059 0.000 0.799 460 E CB -0.107 29.516 29.700 -0.129 0.000 0.752 460 E HN 0.457 nan 8.360 nan 0.000 0.449 461 V N 0.042 119.727 119.914 -0.382 0.000 2.358 461 V HA -0.188 3.932 4.120 -0.000 0.000 0.246 461 V C 1.712 177.509 176.094 -0.494 0.000 1.047 461 V CA 1.456 63.391 62.300 -0.609 0.000 1.035 461 V CB -0.422 30.706 31.823 -1.159 0.000 0.658 461 V HN 0.381 nan 8.190 nan 0.000 0.452 462 W N -0.225 121.011 121.300 -0.107 0.000 3.123 462 W HA 0.332 4.992 4.660 -0.000 0.000 0.383 462 W C 1.879 178.273 176.519 -0.208 0.000 1.102 462 W CA -0.884 56.309 57.345 -0.254 0.000 1.865 462 W CB -0.363 28.738 29.460 -0.598 0.000 1.111 462 W HN 0.275 nan 8.180 nan 0.000 0.621 463 K N 1.258 121.695 120.400 0.063 0.000 2.059 463 K HA -0.210 4.110 4.320 -0.000 0.000 0.212 463 K C 1.202 177.602 176.600 -0.333 0.000 1.050 463 K CA 1.660 57.802 56.287 -0.242 0.000 0.927 463 K CB 0.263 32.675 32.500 -0.147 0.000 0.714 463 K HN -0.086 nan 8.250 nan 0.000 0.447 464 E N 0.317 120.415 120.200 -0.170 0.000 2.474 464 E HA 0.034 4.383 4.350 -0.000 0.000 0.195 464 E C -0.094 176.439 176.600 -0.112 0.000 1.039 464 E CA 0.073 56.381 56.400 -0.152 0.000 0.881 464 E CB 0.403 30.034 29.700 -0.115 0.000 0.970 464 E HN 0.231 nan 8.360 nan 0.000 0.486 465 I N 2.037 122.568 120.570 -0.065 0.000 2.337 465 I HA 0.196 4.366 4.170 -0.000 0.000 0.291 465 I C 0.346 176.455 176.117 -0.012 0.000 1.046 465 I CA -0.061 61.208 61.300 -0.052 0.000 1.324 465 I CB 0.090 38.113 38.000 0.038 0.000 1.409 465 I HN -0.267 nan 8.210 nan 0.000 0.494 466 K N 5.656 125.917 120.400 -0.231 0.000 2.477 466 K HA 0.607 4.926 4.320 -0.000 0.000 0.255 466 K C -1.475 174.878 176.600 -0.412 0.000 0.952 466 K CA -0.589 55.610 56.287 -0.147 0.000 0.826 466 K CB 2.594 35.062 32.500 -0.052 0.000 1.331 466 K HN 0.146 nan 8.250 nan 0.000 0.437 467 F N 1.552 121.606 119.950 0.172 0.000 2.434 467 F HA 0.305 4.832 4.527 -0.000 0.000 0.367 467 F C -0.419 175.461 175.800 0.134 0.000 1.093 467 F CA -0.544 57.578 58.000 0.202 0.000 1.085 467 F CB 1.498 40.647 39.000 0.247 0.000 1.322 467 F HN 0.293 nan 8.300 nan 0.000 0.452 468 E N 3.812 124.022 120.200 0.017 0.000 2.235 468 E HA 0.534 4.884 4.350 -0.000 0.000 0.252 468 E C -1.278 175.123 176.600 -0.333 0.000 0.886 468 E CA -0.424 55.939 56.400 -0.060 0.000 0.767 468 E CB 1.688 31.334 29.700 -0.091 0.000 1.205 468 E HN 0.334 nan 8.360 nan 0.000 0.421 469 F N 0.364 120.365 119.950 0.084 0.000 2.629 469 F HA 0.220 4.747 4.527 -0.000 0.000 0.316 469 F C 0.158 175.990 175.800 0.052 0.000 1.081 469 F CA -1.197 56.842 58.000 0.066 0.000 0.954 469 F CB 1.394 40.439 39.000 0.074 0.000 1.337 469 F HN 0.233 nan 8.300 nan 0.000 0.474 470 D N 0.782 121.332 120.400 0.251 0.000 2.458 470 D HA 0.128 4.768 4.640 -0.000 0.000 0.243 470 D C -0.477 175.907 176.300 0.140 0.000 1.146 470 D CA 0.483 54.573 54.000 0.151 0.000 0.877 470 D CB 0.789 41.660 40.800 0.119 0.000 1.176 470 D HN 0.397 nan 8.370 nan 0.000 0.461 471 T N 5.692 120.310 114.554 0.107 0.000 2.794 471 T HA 0.116 4.466 4.350 -0.000 0.000 0.296 471 T C 1.415 176.162 174.700 0.078 0.000 0.949 471 T CA -0.744 61.412 62.100 0.093 0.000 1.101 471 T CB 0.745 69.665 68.868 0.086 0.000 0.905 471 T HN 0.287 nan 8.240 nan 0.000 0.516 472 I N 1.743 122.354 120.570 0.068 0.000 2.270 472 I HA 0.018 4.188 4.170 -0.000 0.000 0.239 472 I C 1.457 177.619 176.117 0.075 0.000 1.080 472 I CA 0.893 62.229 61.300 0.060 0.000 1.383 472 I CB -0.733 37.290 38.000 0.039 0.000 1.097 472 I HN 0.560 nan 8.210 nan 0.000 0.420 473 D N 2.953 123.404 120.400 0.086 0.000 2.600 473 D HA 0.056 4.696 4.640 -0.000 0.000 0.226 473 D C 0.332 176.719 176.300 0.144 0.000 1.119 473 D CA 0.199 54.273 54.000 0.122 0.000 1.051 473 D CB -0.084 40.789 40.800 0.122 0.000 1.106 473 D HN 0.126 nan 8.370 nan 0.000 0.491 474 K N 0.000 120.471 120.400 0.119 0.000 2.780 474 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 474 K CA 0.000 56.349 56.287 0.104 0.000 0.838 474 K CB 0.000 32.545 32.500 0.075 0.000 1.064 474 K HN 0.000 nan 8.250 nan 0.000 0.543