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 2o5r_1_A DATA FIRST_RESID 2 DATA SEQUENCE VRVRFAPSPT GFLHVGGART ALFNFLFARK EKGKFILRIE DTDLERSERE DATA SEQUENCE YEEKLXESLR WLGLLWDEGP DVGGDHGPYR QSERVEIYRE HAERLVKEGK DATA SEQUENCE AYYVYAYPEE IEEXREKLLS EGKAPHYSQE XFEKFDTPER RREYEEKGLR DATA SEQUENCE PAVFFKXPRK DYVLNDVVKG EVVFKTGAIG DFVIXRSNGL PTYNFACVVD DATA SEQUENCE DXLXEITHVI RGDDHLSNTL RQLALYEAFE KAPPVFAHVS TILGPDGKKL DATA SEQUENCE SKRHGATSVE AFRDXGYLPE ALVNYLALLG WSHPEGKELL TLEELISSFS DATA SEQUENCE LDRLSPNPAI FDPQKLKWXN GYYLRNXPIE KLAELAKPFF EKAGIKIIDE DATA SEQUENCE EYFKKVLEIT KERVEVLSEF PEESRFFFED PAPVEIPEEX KEVFSQLKEE DATA SEQUENCE LQNVRWTXEE ITPVFKKVLK QHGVKPKEFY XTLRRVLTGR EEGPELVNII DATA SEQUENCE PLLGKEIFLR RIERSLG 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 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 176.160 176.094 0.110 0.000 1.182 2 V CA 0.000 62.364 62.300 0.106 0.000 1.235 2 V CB 0.000 31.803 31.823 -0.033 0.000 1.184 3 R N 2.637 123.247 120.500 0.182 0.000 2.512 3 R HA 0.798 5.138 4.340 0.001 0.000 0.291 3 R C -0.979 175.445 176.300 0.206 0.000 1.097 3 R CA -0.622 55.565 56.100 0.146 0.000 0.940 3 R CB 2.535 32.865 30.300 0.051 0.000 1.198 3 R HN 0.711 nan 8.270 nan 0.000 0.429 4 V N -0.006 120.060 119.914 0.253 0.000 3.074 4 V HA 0.815 4.936 4.120 0.001 0.000 0.314 4 V C -0.708 175.588 176.094 0.336 0.000 1.117 4 V CA -1.014 61.460 62.300 0.290 0.000 1.014 4 V CB 2.183 34.208 31.823 0.337 0.000 1.057 4 V HN 0.811 nan 8.190 nan 0.000 0.438 5 R N 2.155 122.845 120.500 0.316 0.000 2.740 5 R HA 0.585 4.925 4.340 0.001 0.000 0.273 5 R C -2.289 174.247 176.300 0.392 0.000 0.998 5 R CA -0.848 55.428 56.100 0.292 0.000 0.900 5 R CB 1.574 31.954 30.300 0.134 0.000 1.223 5 R HN 0.880 nan 8.270 nan 0.000 0.466 6 F N 1.744 121.797 119.950 0.171 0.000 2.426 6 F HA 0.713 5.241 4.527 0.001 0.000 0.348 6 F C -0.819 174.981 175.800 0.002 0.000 1.124 6 F CA -0.980 57.105 58.000 0.141 0.000 1.008 6 F CB 1.849 40.996 39.000 0.246 0.000 1.139 6 F HN 0.794 nan 8.300 nan 0.000 0.452 7 A N 8.352 130.923 122.820 -0.415 0.000 3.165 7 A HA 0.484 4.805 4.320 0.001 0.000 0.331 7 A C -2.761 174.521 177.584 -0.502 0.000 1.034 7 A CA -1.234 50.586 52.037 -0.361 0.000 0.906 7 A CB -0.837 18.092 19.000 -0.118 0.000 1.054 7 A HN 0.490 nan 8.150 nan 0.000 0.484 8 P HA 0.229 nan 4.420 nan 0.000 0.281 8 P C -0.160 176.983 177.300 -0.261 0.000 1.249 8 P CA -0.173 62.594 63.100 -0.556 0.000 0.810 8 P CB 1.649 32.952 31.700 -0.662 0.000 1.008 9 S N 2.177 117.781 115.700 -0.159 0.000 2.434 9 S HA 0.418 4.889 4.470 0.001 0.000 0.318 9 S C -2.345 172.217 174.600 -0.064 0.000 1.062 9 S CA -1.716 56.433 58.200 -0.085 0.000 1.116 9 S CB -0.716 62.445 63.200 -0.066 0.000 0.977 9 S HN 0.184 nan 8.310 nan 0.000 0.480 10 P HA 0.159 nan 4.420 nan 0.000 0.266 10 P C 0.573 177.819 177.300 -0.090 0.000 1.215 10 P CA -0.168 62.918 63.100 -0.022 0.000 0.763 10 P CB 0.782 32.511 31.700 0.048 0.000 0.806 11 T N -0.727 113.694 114.554 -0.223 0.000 3.054 11 T HA 0.366 4.717 4.350 0.001 0.000 0.255 11 T C 1.297 175.488 174.700 -0.849 0.000 1.035 11 T CA 0.465 62.275 62.100 -0.483 0.000 0.941 11 T CB -0.152 68.614 68.868 -0.169 0.000 1.026 11 T HN 0.521 nan 8.240 nan 0.000 0.533 12 G N 1.142 109.599 108.800 -0.571 0.000 2.313 12 G HA2 -0.126 3.834 3.960 0.001 0.000 0.215 12 G HA3 -0.126 3.834 3.960 0.001 0.000 0.215 12 G C -0.233 174.263 174.900 -0.673 0.000 1.023 12 G CA -0.424 44.370 45.100 -0.510 0.000 0.626 12 G HN 0.507 nan 8.290 nan 0.000 0.503 13 F N 0.605 120.436 119.950 -0.198 0.000 2.493 13 F HA 0.708 5.235 4.527 0.001 0.000 0.329 13 F C 0.051 175.650 175.800 -0.335 0.000 1.126 13 F CA -1.066 56.766 58.000 -0.281 0.000 0.937 13 F CB 1.926 40.682 39.000 -0.405 0.000 1.146 13 F HN 0.106 nan 8.300 nan 0.000 0.442 14 L N 5.648 126.834 121.223 -0.062 0.000 2.295 14 L HA 0.336 4.677 4.340 0.001 0.000 0.288 14 L C -0.077 176.753 176.870 -0.068 0.000 1.079 14 L CA 0.037 54.876 54.840 -0.001 0.000 0.830 14 L CB -0.563 41.548 42.059 0.086 0.000 1.200 14 L HN 0.483 nan 8.230 nan 0.000 0.438 15 H N 3.301 122.448 119.070 0.127 0.000 2.544 15 H HA 0.156 4.713 4.556 0.000 0.000 0.365 15 H C 1.257 176.639 175.328 0.090 0.000 1.268 15 H CA -0.296 55.803 56.048 0.085 0.000 1.400 15 H CB 1.289 31.069 29.762 0.030 0.000 1.538 15 H HN 0.464 nan 8.280 nan 0.000 0.597 16 V N 1.527 121.572 119.914 0.218 0.000 2.324 16 V HA -0.259 3.861 4.120 0.001 0.000 0.250 16 V C 2.424 178.568 176.094 0.084 0.000 1.060 16 V CA 2.347 64.737 62.300 0.150 0.000 1.042 16 V CB -0.983 30.905 31.823 0.109 0.000 0.650 16 V HN 0.996 nan 8.190 nan 0.000 0.450 17 G N -0.249 108.598 108.800 0.080 0.000 2.418 17 G HA2 -0.151 3.809 3.960 0.001 0.000 0.217 17 G HA3 -0.151 3.809 3.960 0.001 0.000 0.217 17 G C 1.596 176.540 174.900 0.073 0.000 1.158 17 G CA 0.973 46.108 45.100 0.057 0.000 0.771 17 G HN 0.592 nan 8.290 nan 0.000 0.545 18 G N 1.100 109.991 108.800 0.151 0.000 2.414 18 G HA2 0.070 4.030 3.960 0.001 0.000 0.215 18 G HA3 0.070 4.030 3.960 0.001 0.000 0.215 18 G C 2.110 177.002 174.900 -0.014 0.000 1.188 18 G CA 1.568 46.822 45.100 0.257 0.000 0.783 18 G HN 0.636 nan 8.290 nan 0.000 0.537 19 A N 0.739 123.542 122.820 -0.028 0.000 1.917 19 A HA -0.144 4.176 4.320 0.001 0.000 0.219 19 A C 2.391 179.819 177.584 -0.261 0.000 1.182 19 A CA 2.174 54.127 52.037 -0.139 0.000 0.633 19 A CB -0.509 18.486 19.000 -0.008 0.000 0.819 19 A HN 0.291 nan 8.150 nan 0.000 0.448 20 R N -0.435 119.925 120.500 -0.234 0.000 2.073 20 R HA -0.114 4.227 4.340 0.001 0.000 0.234 20 R C 2.075 177.993 176.300 -0.637 0.000 1.134 20 R CA 2.341 58.183 56.100 -0.431 0.000 0.952 20 R CB -1.294 28.799 30.300 -0.345 0.000 0.850 20 R HN 0.504 nan 8.270 nan 0.000 0.433 21 T N 1.065 115.388 114.554 -0.384 0.000 2.746 21 T HA -0.064 4.286 4.350 0.001 0.000 0.267 21 T C 1.833 176.362 174.700 -0.285 0.000 1.039 21 T CA 1.516 63.479 62.100 -0.230 0.000 1.142 21 T CB -0.311 68.616 68.868 0.098 0.000 0.866 21 T HN 0.442 nan 8.240 nan 0.000 0.444 22 A N 1.216 123.639 122.820 -0.661 0.000 1.933 22 A HA -0.010 4.310 4.320 0.001 0.000 0.218 22 A C 2.219 179.552 177.584 -0.419 0.000 1.175 22 A CA 1.203 52.795 52.037 -0.742 0.000 0.628 22 A CB -0.734 17.553 19.000 -1.188 0.000 0.814 22 A HN 0.408 nan 8.150 nan 0.000 0.444 23 L N -1.255 119.727 121.223 -0.402 0.000 2.017 23 L HA -0.068 4.272 4.340 0.001 0.000 0.208 23 L C 2.118 178.855 176.870 -0.221 0.000 1.073 23 L CA 1.935 56.587 54.840 -0.312 0.000 0.745 23 L CB -0.842 41.024 42.059 -0.322 0.000 0.894 23 L HN 0.328 nan 8.230 nan 0.000 0.432 24 F N 0.394 120.119 119.950 -0.375 0.000 2.161 24 F HA -0.190 4.337 4.527 0.001 0.000 0.300 24 F C 2.532 178.142 175.800 -0.317 0.000 1.089 24 F CA 1.013 58.728 58.000 -0.475 0.000 1.282 24 F CB -1.534 37.370 39.000 -0.161 0.000 1.010 24 F HN 0.297 nan 8.300 nan 0.000 0.485 25 N N -0.265 118.402 118.700 -0.056 0.000 2.142 25 N HA -0.205 4.535 4.740 0.001 0.000 0.186 25 N C 2.032 177.299 175.510 -0.404 0.000 1.023 25 N CA 1.181 54.162 53.050 -0.114 0.000 0.852 25 N CB -0.807 37.680 38.487 0.001 0.000 0.998 25 N HN 0.251 nan 8.380 nan 0.000 0.424 26 F N 2.336 121.736 119.950 -0.917 0.000 2.095 26 F HA -0.119 4.409 4.527 0.000 0.000 0.298 26 F C 2.211 177.773 175.800 -0.397 0.000 1.104 26 F CA 1.199 58.698 58.000 -0.835 0.000 1.232 26 F CB -0.391 38.210 39.000 -0.665 0.000 0.987 26 F HN -0.087 nan 8.300 nan 0.000 0.475 27 L N -1.143 119.906 121.223 -0.290 0.000 2.046 27 L HA -0.212 4.128 4.340 0.001 0.000 0.208 27 L C 2.405 179.172 176.870 -0.173 0.000 1.077 27 L CA 1.443 56.075 54.840 -0.347 0.000 0.747 27 L CB -0.900 40.760 42.059 -0.666 0.000 0.896 27 L HN 0.216 nan 8.230 nan 0.000 0.432 28 F N 0.706 120.546 119.950 -0.183 0.000 2.146 28 F HA -0.172 4.355 4.527 0.000 0.000 0.298 28 F C 2.449 178.170 175.800 -0.131 0.000 1.096 28 F CA 1.133 59.118 58.000 -0.024 0.000 1.275 28 F CB -0.291 38.735 39.000 0.044 0.000 1.008 28 F HN -0.014 nan 8.300 nan 0.000 0.480 29 A N 0.715 123.462 122.820 -0.122 0.000 1.877 29 A HA -0.172 4.149 4.320 0.001 0.000 0.216 29 A C 2.360 179.776 177.584 -0.280 0.000 1.186 29 A CA 1.483 53.413 52.037 -0.177 0.000 0.620 29 A CB -0.602 18.363 19.000 -0.059 0.000 0.822 29 A HN 0.288 nan 8.150 nan 0.000 0.443 30 R N -0.158 120.109 120.500 -0.388 0.000 2.081 30 R HA -0.105 4.236 4.340 0.001 0.000 0.235 30 R C 2.231 178.369 176.300 -0.271 0.000 1.131 30 R CA 1.695 57.569 56.100 -0.377 0.000 0.960 30 R CB -0.703 29.269 30.300 -0.548 0.000 0.856 30 R HN 0.708 nan 8.270 nan 0.000 0.436 31 K N 0.928 121.170 120.400 -0.263 0.000 2.002 31 K HA -0.130 4.190 4.320 0.001 0.000 0.209 31 K C 1.413 177.861 176.600 -0.254 0.000 1.048 31 K CA 1.349 57.510 56.287 -0.211 0.000 0.930 31 K CB 0.121 32.527 32.500 -0.156 0.000 0.714 31 K HN -0.004 nan 8.250 nan 0.000 0.438 32 E N 0.841 120.803 120.200 -0.396 0.000 2.511 32 E HA -0.063 4.288 4.350 0.001 0.000 0.196 32 E C -0.240 176.212 176.600 -0.247 0.000 1.066 32 E CA 0.382 56.553 56.400 -0.382 0.000 0.871 32 E CB 0.156 29.470 29.700 -0.643 0.000 0.863 32 E HN 0.290 nan 8.360 nan 0.000 0.520 33 K N -0.329 119.943 120.400 -0.213 0.000 3.117 33 K HA -0.165 4.156 4.320 0.001 0.000 0.269 33 K C 0.591 177.126 176.600 -0.107 0.000 1.098 33 K CA 0.500 56.703 56.287 -0.142 0.000 0.785 33 K CB -1.799 30.638 32.500 -0.106 0.000 1.242 33 K HN 0.266 nan 8.250 nan 0.000 0.491 34 G N 0.386 109.112 108.800 -0.122 0.000 2.671 34 G HA2 0.514 4.474 3.960 0.001 0.000 0.275 34 G HA3 0.514 4.474 3.960 0.001 0.000 0.275 34 G C -0.520 174.377 174.900 -0.004 0.000 1.368 34 G CA -0.698 44.370 45.100 -0.055 0.000 1.044 34 G HN -0.057 nan 8.290 nan 0.000 0.543 35 K N -0.506 119.927 120.400 0.055 0.000 2.164 35 K HA 0.445 4.766 4.320 0.001 0.000 0.258 35 K C -1.681 175.052 176.600 0.220 0.000 0.951 35 K CA -0.740 55.613 56.287 0.110 0.000 0.844 35 K CB 2.150 34.701 32.500 0.085 0.000 1.099 35 K HN 0.292 nan 8.250 nan 0.000 0.435 36 F N 4.284 124.281 119.950 0.079 0.000 2.403 36 F HA 0.374 4.902 4.527 0.001 0.000 0.355 36 F C -0.797 175.105 175.800 0.171 0.000 1.119 36 F CA -1.615 56.469 58.000 0.141 0.000 1.007 36 F CB 0.498 39.604 39.000 0.176 0.000 1.194 36 F HN 0.232 nan 8.300 nan 0.000 0.443 37 I N 6.848 127.379 120.570 -0.065 0.000 2.428 37 I HA 0.313 4.483 4.170 0.001 0.000 0.296 37 I C -0.671 175.187 176.117 -0.431 0.000 0.985 37 I CA -1.146 60.031 61.300 -0.205 0.000 1.260 37 I CB 1.209 39.211 38.000 0.003 0.000 1.389 37 I HN 0.506 nan 8.210 nan 0.000 0.484 38 L N 6.899 127.814 121.223 -0.513 0.000 2.280 38 L HA 0.482 4.822 4.340 0.001 0.000 0.287 38 L C -0.160 176.532 176.870 -0.296 0.000 1.023 38 L CA -0.159 54.339 54.840 -0.570 0.000 0.819 38 L CB 0.700 42.066 42.059 -1.155 0.000 1.212 38 L HN 0.641 nan 8.230 nan 0.000 0.420 39 R N 6.256 126.649 120.500 -0.178 0.000 2.360 39 R HA 0.470 4.810 4.340 0.001 0.000 0.318 39 R C -1.274 174.950 176.300 -0.126 0.000 0.950 39 R CA -0.780 55.285 56.100 -0.057 0.000 0.837 39 R CB 0.921 31.218 30.300 -0.005 0.000 1.165 39 R HN 0.576 nan 8.270 nan 0.000 0.458 40 I N 4.117 124.637 120.570 -0.083 0.000 2.337 40 I HA 0.074 4.244 4.170 0.001 0.000 0.291 40 I C 0.656 176.746 176.117 -0.045 0.000 1.046 40 I CA 0.145 61.392 61.300 -0.089 0.000 1.324 40 I CB 1.175 39.139 38.000 -0.061 0.000 1.409 40 I HN 0.700 nan 8.210 nan 0.000 0.494 41 E N 6.502 126.665 120.200 -0.062 0.000 1.972 41 E HA -0.004 4.346 4.350 0.001 0.000 0.292 41 E C -0.216 176.379 176.600 -0.007 0.000 1.193 41 E CA -0.241 56.144 56.400 -0.024 0.000 1.228 41 E CB 0.112 29.796 29.700 -0.028 0.000 1.167 41 E HN 0.510 nan 8.360 nan 0.000 0.479 42 D N 1.972 122.378 120.400 0.009 0.000 2.722 42 D HA 0.003 4.643 4.640 0.001 0.000 0.239 42 D C 0.695 177.013 176.300 0.031 0.000 1.249 42 D CA -0.298 53.716 54.000 0.023 0.000 0.830 42 D CB 0.530 41.344 40.800 0.023 0.000 1.025 42 D HN 0.104 nan 8.370 nan 0.000 0.486 43 T N 0.271 114.842 114.554 0.028 0.000 2.674 43 T HA -0.143 4.208 4.350 0.001 0.000 0.265 43 T C 1.050 175.767 174.700 0.027 0.000 1.039 43 T CA 1.313 63.431 62.100 0.030 0.000 1.150 43 T CB -0.022 68.852 68.868 0.010 0.000 0.864 43 T HN 0.221 nan 8.240 nan 0.000 0.427 44 D N 0.490 120.905 120.400 0.025 0.000 2.355 44 D HA 0.125 4.765 4.640 0.001 0.000 0.218 44 D C 0.089 176.412 176.300 0.037 0.000 1.004 44 D CA 0.126 54.142 54.000 0.027 0.000 0.880 44 D CB -0.082 40.732 40.800 0.023 0.000 0.911 44 D HN 0.231 nan 8.370 nan 0.000 0.528 45 L N 1.483 122.733 121.223 0.045 0.000 2.418 45 L HA 0.109 4.449 4.340 0.001 0.000 0.265 45 L C 1.084 177.968 176.870 0.024 0.000 1.143 45 L CA 0.006 54.878 54.840 0.054 0.000 0.809 45 L CB 0.695 42.798 42.059 0.073 0.000 1.124 45 L HN -0.226 nan 8.230 nan 0.000 0.456 46 E N 0.660 120.865 120.200 0.008 0.000 2.322 46 E HA 0.162 4.512 4.350 0.001 0.000 0.257 46 E C 0.767 177.350 176.600 -0.028 0.000 1.155 46 E CA -0.544 55.850 56.400 -0.011 0.000 0.936 46 E CB 0.720 30.409 29.700 -0.018 0.000 1.130 46 E HN 0.324 nan 8.360 nan 0.000 0.465 47 R N 0.886 121.369 120.500 -0.028 0.000 2.075 47 R HA -0.127 4.213 4.340 0.001 0.000 0.232 47 R C 2.069 178.333 176.300 -0.060 0.000 1.126 47 R CA 2.158 58.238 56.100 -0.034 0.000 0.963 47 R CB -0.709 29.576 30.300 -0.024 0.000 0.858 47 R HN 0.535 nan 8.270 nan 0.000 0.435 48 S N 0.081 115.740 115.700 -0.069 0.000 2.419 48 S HA -0.136 4.334 4.470 0.001 0.000 0.233 48 S C 1.117 175.614 174.600 -0.171 0.000 1.016 48 S CA 1.307 59.448 58.200 -0.098 0.000 0.974 48 S CB -0.313 62.838 63.200 -0.083 0.000 0.786 48 S HN 0.531 nan 8.310 nan 0.000 0.492 49 E N 0.684 120.765 120.200 -0.199 0.000 2.359 49 E HA 0.170 4.521 4.350 0.001 0.000 0.187 49 E C 1.598 178.006 176.600 -0.320 0.000 1.081 49 E CA -0.303 55.863 56.400 -0.389 0.000 0.929 49 E CB -0.065 29.462 29.700 -0.290 0.000 1.086 49 E HN 0.491 nan 8.360 nan 0.000 0.462 50 R N 1.508 121.897 120.500 -0.185 0.000 2.235 50 R HA -0.130 4.210 4.340 0.001 0.000 0.213 50 R C 1.880 178.113 176.300 -0.113 0.000 1.059 50 R CA 1.032 57.069 56.100 -0.105 0.000 0.997 50 R CB 0.129 30.393 30.300 -0.059 0.000 0.884 50 R HN 0.311 nan 8.270 nan 0.000 0.462 51 E N -0.843 119.241 120.200 -0.194 0.000 2.209 51 E HA -0.237 4.113 4.350 0.001 0.000 0.196 51 E C 0.905 177.462 176.600 -0.071 0.000 0.993 51 E CA 1.144 57.454 56.400 -0.151 0.000 0.819 51 E CB -0.390 29.199 29.700 -0.186 0.000 0.745 51 E HN 0.351 nan 8.360 nan 0.000 0.477 52 Y N 1.571 121.823 120.300 -0.080 0.000 2.181 52 Y HA -0.128 4.422 4.550 0.001 0.000 0.288 52 Y C 2.382 178.234 175.900 -0.081 0.000 1.146 52 Y CA 1.106 59.145 58.100 -0.101 0.000 1.164 52 Y CB -0.782 37.628 38.460 -0.083 0.000 0.982 52 Y HN 0.236 nan 8.280 nan 0.000 0.515 53 E N 0.633 120.887 120.200 0.091 0.000 2.110 53 E HA -0.218 4.132 4.350 0.001 0.000 0.193 53 E C 1.669 178.284 176.600 0.025 0.000 0.988 53 E CA 1.406 57.824 56.400 0.030 0.000 0.804 53 E CB -0.018 29.687 29.700 0.008 0.000 0.745 53 E HN 0.599 nan 8.360 nan 0.000 0.458 54 E N 0.394 120.606 120.200 0.021 0.000 2.077 54 E HA -0.169 4.181 4.350 0.001 0.000 0.193 54 E C 2.126 178.745 176.600 0.031 0.000 0.989 54 E CA 1.113 57.530 56.400 0.028 0.000 0.800 54 E CB 0.057 29.759 29.700 0.003 0.000 0.746 54 E HN 0.193 nan 8.360 nan 0.000 0.452 55 K N 0.642 121.045 120.400 0.006 0.000 2.062 55 K HA -0.013 4.307 4.320 0.001 0.000 0.205 55 K C 1.434 178.037 176.600 0.006 0.000 1.051 55 K CA 0.176 56.450 56.287 -0.022 0.000 0.941 55 K CB -0.118 32.326 32.500 -0.094 0.000 0.719 55 K HN 0.071 nan 8.250 nan 0.000 0.440 59 S N 1.376 117.177 115.700 0.168 0.000 2.383 59 S HA -0.030 4.440 4.470 0.001 0.000 0.227 59 S C 1.860 176.630 174.600 0.283 0.000 1.026 59 S CA 1.089 59.422 58.200 0.223 0.000 0.981 59 S CB -0.091 63.195 63.200 0.144 0.000 0.818 59 S HN 0.254 nan 8.310 nan 0.000 0.472 60 L N 0.805 122.179 121.223 0.252 0.000 2.056 60 L HA -0.037 4.304 4.340 0.001 0.000 0.207 60 L C 2.713 179.718 176.870 0.226 0.000 1.078 60 L CA 1.150 56.139 54.840 0.248 0.000 0.749 60 L CB -0.350 41.925 42.059 0.360 0.000 0.901 60 L HN 0.197 nan 8.230 nan 0.000 0.433 61 R N -1.239 119.419 120.500 0.263 0.000 2.148 61 R HA -0.197 4.143 4.340 0.001 0.000 0.227 61 R C 2.066 178.447 176.300 0.134 0.000 1.103 61 R CA 1.433 57.611 56.100 0.130 0.000 0.983 61 R CB -0.313 30.040 30.300 0.088 0.000 0.874 61 R HN 0.403 nan 8.270 nan 0.000 0.451 62 W N 1.249 122.563 121.300 0.023 0.000 2.381 62 W HA -0.100 4.560 4.660 0.001 0.000 0.301 62 W C 1.374 177.884 176.519 -0.016 0.000 1.205 62 W CA 1.118 58.472 57.345 0.015 0.000 1.285 62 W CB -0.214 29.271 29.460 0.042 0.000 1.133 62 W HN -0.059 nan 8.180 nan 0.000 0.521 63 L N 0.629 121.838 121.223 -0.023 0.000 2.376 63 L HA 0.126 4.466 4.340 0.001 0.000 0.219 63 L C 1.937 178.628 176.870 -0.297 0.000 1.133 63 L CA 1.029 55.724 54.840 -0.241 0.000 0.816 63 L CB -1.069 40.923 42.059 -0.111 0.000 0.933 63 L HN 0.321 nan 8.230 nan 0.000 0.449 64 G N 0.361 109.024 108.800 -0.228 0.000 2.132 64 G HA2 -0.263 3.697 3.960 0.001 0.000 0.234 64 G HA3 -0.263 3.697 3.960 0.001 0.000 0.234 64 G C 0.236 174.833 174.900 -0.504 0.000 0.989 64 G CA -0.281 44.655 45.100 -0.273 0.000 0.676 64 G HN 0.254 nan 8.290 nan 0.000 0.522 65 L N 0.981 121.923 121.223 -0.468 0.000 2.536 65 L HA 0.413 4.753 4.340 0.001 0.000 0.242 65 L C 0.501 177.419 176.870 0.080 0.000 1.280 65 L CA -0.783 53.642 54.840 -0.692 0.000 1.221 65 L CB -0.029 41.797 42.059 -0.388 0.000 1.449 65 L HN 0.028 nan 8.230 nan 0.000 0.405 66 L N 1.061 122.347 121.223 0.104 0.000 2.426 66 L HA 0.174 4.514 4.340 0.001 0.000 0.271 66 L C -0.009 177.161 176.870 0.500 0.000 1.169 66 L CA 0.406 55.324 54.840 0.130 0.000 0.836 66 L CB 0.149 42.188 42.059 -0.033 0.000 1.112 66 L HN 0.326 nan 8.230 nan 0.000 0.465 67 W N 1.494 122.929 121.300 0.225 0.000 2.639 67 W HA 0.550 5.210 4.660 0.000 0.000 0.347 67 W C 0.303 176.826 176.519 0.008 0.000 1.067 67 W CA -0.840 56.537 57.345 0.053 0.000 1.218 67 W CB 0.479 29.699 29.460 -0.401 0.000 1.393 67 W HN 0.446 nan 8.180 nan 0.000 0.557 68 D N 0.672 121.170 120.400 0.164 0.000 2.201 68 D HA -0.057 4.583 4.640 0.001 0.000 0.209 68 D C -0.297 176.019 176.300 0.025 0.000 0.961 68 D CA 1.170 55.206 54.000 0.060 0.000 0.861 68 D CB 0.391 41.243 40.800 0.086 0.000 0.997 68 D HN 0.555 nan 8.370 nan 0.000 0.486 69 E N -0.315 119.887 120.200 0.004 0.000 2.248 69 E HA 0.615 4.965 4.350 0.001 0.000 0.267 69 E C -0.299 176.051 176.600 -0.418 0.000 0.877 69 E CA -0.694 55.558 56.400 -0.247 0.000 0.759 69 E CB 2.722 32.237 29.700 -0.308 0.000 1.182 69 E HN 0.092 nan 8.360 nan 0.000 0.418 70 G N 1.674 110.098 108.800 -0.626 0.000 2.441 70 G HA2 0.199 4.159 3.960 0.001 0.000 0.294 70 G HA3 0.199 4.159 3.960 0.001 0.000 0.294 70 G C -2.606 172.218 174.900 -0.127 0.000 1.393 70 G CA -0.902 43.929 45.100 -0.449 0.000 0.796 70 G HN 0.225 nan 8.290 nan 0.000 0.494 71 P HA -0.021 nan 4.420 nan 0.000 0.218 71 P C 1.051 178.433 177.300 0.138 0.000 1.148 71 P CA 1.941 65.128 63.100 0.145 0.000 0.822 71 P CB 0.210 31.960 31.700 0.082 0.000 0.784 72 D N -1.451 119.047 120.400 0.163 0.000 2.369 72 D HA -0.034 4.607 4.640 0.001 0.000 0.231 72 D C 1.900 178.268 176.300 0.113 0.000 0.967 72 D CA 0.476 54.563 54.000 0.145 0.000 0.905 72 D CB -1.233 39.671 40.800 0.173 0.000 1.044 72 D HN 0.012 nan 8.370 nan 0.000 0.487 73 V N 0.153 120.145 119.914 0.131 0.000 3.041 73 V HA 0.251 4.372 4.120 0.001 0.000 0.260 73 V C 1.246 177.365 176.094 0.040 0.000 1.105 73 V CA 1.493 63.820 62.300 0.045 0.000 1.125 73 V CB -0.949 30.863 31.823 -0.019 0.000 0.730 73 V HN 0.665 nan 8.190 nan 0.000 0.479 74 G N -0.482 108.357 108.800 0.065 0.000 2.593 74 G HA2 0.320 4.281 3.960 0.001 0.000 0.237 74 G HA3 0.320 4.281 3.960 0.001 0.000 0.237 74 G C 0.393 175.371 174.900 0.132 0.000 1.312 74 G CA -0.494 44.688 45.100 0.136 0.000 0.896 74 G HN 2.012 nan 8.290 nan 0.000 0.574 75 G N -2.165 106.787 108.800 0.253 0.000 2.312 75 G HA2 0.489 4.450 3.960 0.001 0.000 0.347 75 G HA3 0.489 4.450 3.960 0.001 0.000 0.347 75 G C -0.065 175.013 174.900 0.298 0.000 1.564 75 G CA 0.682 45.957 45.100 0.292 0.000 0.981 75 G HN 0.931 nan 8.290 nan 0.000 0.678 76 D N -0.248 120.255 120.400 0.171 0.000 2.310 76 D HA -0.040 4.600 4.640 0.001 0.000 0.212 76 D C 1.125 177.295 176.300 -0.217 0.000 0.965 76 D CA 1.169 55.142 54.000 -0.045 0.000 0.879 76 D CB 0.209 40.922 40.800 -0.145 0.000 0.921 76 D HN 0.550 nan 8.370 nan 0.000 0.510 77 H N -0.690 118.442 119.070 0.103 0.000 2.524 77 H HA 0.369 4.925 4.556 0.001 0.000 0.299 77 H C 1.148 176.246 175.328 -0.382 0.000 1.074 77 H CA -0.278 55.750 56.048 -0.033 0.000 1.115 77 H CB 0.371 30.173 29.762 0.067 0.000 1.522 77 H HN -0.049 nan 8.280 nan 0.000 0.543 78 G N 1.153 109.696 108.800 -0.428 0.000 2.563 78 G HA2 0.282 4.243 3.960 0.001 0.000 0.283 78 G HA3 0.282 4.243 3.960 0.001 0.000 0.283 78 G C -1.764 172.879 174.900 -0.427 0.000 1.309 78 G CA -1.130 43.459 45.100 -0.851 0.000 1.022 78 G HN 0.105 nan 8.290 nan 0.000 0.501 79 P HA 0.176 nan 4.420 nan 0.000 0.272 79 P C -0.974 176.028 177.300 -0.496 0.000 1.240 79 P CA -0.170 62.740 63.100 -0.316 0.000 0.791 79 P CB 0.671 32.288 31.700 -0.138 0.000 0.978 80 Y N -0.998 119.294 120.300 -0.014 0.000 2.524 80 Y HA 0.262 4.812 4.550 0.001 0.000 0.266 80 Y C 1.187 177.064 175.900 -0.039 0.000 1.180 80 Y CA -0.076 58.007 58.100 -0.028 0.000 1.244 80 Y CB 0.351 38.792 38.460 -0.032 0.000 1.125 80 Y HN 0.034 nan 8.280 nan 0.000 0.524 81 R N 0.631 121.160 120.500 0.048 0.000 2.437 81 R HA 0.235 4.575 4.340 0.001 0.000 0.310 81 R C 0.549 176.869 176.300 0.033 0.000 0.955 81 R CA -0.396 55.724 56.100 0.034 0.000 0.851 81 R CB 1.325 31.643 30.300 0.029 0.000 1.161 81 R HN 0.334 nan 8.270 nan 0.000 0.446 82 Q N 0.592 120.431 119.800 0.065 0.000 2.291 82 Q HA -0.136 4.204 4.340 0.001 0.000 0.205 82 Q C 1.745 177.842 176.000 0.161 0.000 0.970 82 Q CA 1.761 57.658 55.803 0.157 0.000 0.876 82 Q CB 0.154 28.972 28.738 0.132 0.000 0.935 82 Q HN 0.691 nan 8.270 nan 0.000 0.455 83 S N 0.829 116.578 115.700 0.082 0.000 2.399 83 S HA -0.161 4.310 4.470 0.001 0.000 0.231 83 S C 1.489 176.116 174.600 0.044 0.000 1.022 83 S CA 1.034 59.273 58.200 0.064 0.000 0.983 83 S CB -0.111 63.111 63.200 0.037 0.000 0.803 83 S HN 0.376 nan 8.310 nan 0.000 0.480 84 E N 0.696 120.907 120.200 0.018 0.000 2.478 84 E HA 0.131 4.482 4.350 0.001 0.000 0.194 84 E C 1.436 177.995 176.600 -0.067 0.000 1.045 84 E CA 0.097 56.486 56.400 -0.019 0.000 0.868 84 E CB 0.067 29.751 29.700 -0.026 0.000 0.885 84 E HN 0.540 nan 8.360 nan 0.000 0.505 85 R N 0.202 120.649 120.500 -0.090 0.000 2.507 85 R HA 0.119 4.460 4.340 0.001 0.000 0.298 85 R C 1.531 177.605 176.300 -0.377 0.000 0.999 85 R CA -0.112 55.803 56.100 -0.307 0.000 1.082 85 R CB 0.511 30.516 30.300 -0.491 0.000 1.246 85 R HN -0.028 nan 8.270 nan 0.000 0.553 86 V N 1.170 121.060 119.914 -0.040 0.000 2.332 86 V HA -0.294 3.827 4.120 0.001 0.000 0.248 86 V C 2.257 178.380 176.094 0.048 0.000 1.055 86 V CA 2.101 64.474 62.300 0.122 0.000 1.038 86 V CB -0.329 31.564 31.823 0.116 0.000 0.651 86 V HN 0.421 nan 8.190 nan 0.000 0.450 87 E N -0.154 120.027 120.200 -0.031 0.000 2.204 87 E HA -0.168 4.182 4.350 0.001 0.000 0.194 87 E C 2.154 178.729 176.600 -0.042 0.000 0.989 87 E CA 1.056 57.447 56.400 -0.016 0.000 0.824 87 E CB -0.081 29.604 29.700 -0.025 0.000 0.756 87 E HN 0.647 nan 8.360 nan 0.000 0.477 88 I N 0.173 120.629 120.570 -0.189 0.000 2.252 88 I HA -0.253 3.917 4.170 0.001 0.000 0.245 88 I C 1.744 177.823 176.117 -0.063 0.000 1.102 88 I CA 0.866 62.047 61.300 -0.199 0.000 1.385 88 I CB -0.285 37.458 38.000 -0.429 0.000 1.064 88 I HN 0.174 nan 8.210 nan 0.000 0.414 89 Y N 0.551 120.894 120.300 0.072 0.000 2.200 89 Y HA -0.187 4.363 4.550 0.000 0.000 0.290 89 Y C 2.689 178.799 175.900 0.351 0.000 1.137 89 Y CA 0.907 59.105 58.100 0.162 0.000 1.163 89 Y CB -0.894 37.660 38.460 0.157 0.000 0.988 89 Y HN 0.035 nan 8.280 nan 0.000 0.518 90 R N 1.181 121.891 120.500 0.350 0.000 2.083 90 R HA -0.204 4.136 4.340 0.001 0.000 0.237 90 R C 2.043 178.480 176.300 0.228 0.000 1.137 90 R CA 2.007 58.255 56.100 0.246 0.000 0.951 90 R CB -0.709 29.684 30.300 0.156 0.000 0.851 90 R HN 0.367 nan 8.270 nan 0.000 0.434 91 E N -1.081 119.232 120.200 0.188 0.000 2.097 91 E HA -0.216 4.135 4.350 0.001 0.000 0.196 91 E C 1.723 178.407 176.600 0.140 0.000 1.000 91 E CA 1.911 58.383 56.400 0.120 0.000 0.804 91 E CB -0.168 29.563 29.700 0.051 0.000 0.740 91 E HN 0.594 nan 8.360 nan 0.000 0.454 92 H N -1.142 118.057 119.070 0.214 0.000 2.403 92 H HA 0.166 4.723 4.556 0.000 0.000 0.298 92 H C 1.727 177.393 175.328 0.563 0.000 1.059 92 H CA 1.246 57.514 56.048 0.366 0.000 1.363 92 H CB -0.131 29.756 29.762 0.209 0.000 1.410 92 H HN 0.269 nan 8.280 nan 0.000 0.528 93 A N 0.954 124.135 122.820 0.602 0.000 1.873 93 A HA -0.180 4.140 4.320 0.001 0.000 0.215 93 A C 2.063 179.701 177.584 0.089 0.000 1.186 93 A CA 1.711 53.876 52.037 0.212 0.000 0.616 93 A CB -0.329 18.657 19.000 -0.023 0.000 0.823 93 A HN 0.468 nan 8.150 nan 0.000 0.442 94 E N -0.785 119.492 120.200 0.128 0.000 2.153 94 E HA -0.209 4.141 4.350 0.001 0.000 0.194 94 E C 2.263 178.911 176.600 0.079 0.000 0.988 94 E CA 1.048 57.507 56.400 0.098 0.000 0.811 94 E CB -0.180 29.604 29.700 0.141 0.000 0.746 94 E HN 0.591 nan 8.360 nan 0.000 0.466 95 R N 0.969 121.540 120.500 0.118 0.000 2.081 95 R HA -0.131 4.209 4.340 0.001 0.000 0.235 95 R C 2.271 178.620 176.300 0.082 0.000 1.131 95 R CA 0.981 57.145 56.100 0.108 0.000 0.960 95 R CB -0.145 30.240 30.300 0.143 0.000 0.856 95 R HN 0.173 nan 8.270 nan 0.000 0.436 96 L N 0.267 121.539 121.223 0.081 0.000 2.093 96 L HA -0.143 4.197 4.340 0.001 0.000 0.208 96 L C 2.448 179.285 176.870 -0.055 0.000 1.085 96 L CA 0.827 55.657 54.840 -0.016 0.000 0.755 96 L CB -0.306 41.730 42.059 -0.037 0.000 0.904 96 L HN 0.072 nan 8.230 nan 0.000 0.435 97 V N -0.376 119.482 119.914 -0.092 0.000 2.295 97 V HA -0.295 3.825 4.120 0.001 0.000 0.246 97 V C 2.707 178.766 176.094 -0.059 0.000 1.049 97 V CA 1.811 64.017 62.300 -0.156 0.000 1.024 97 V CB -0.615 30.998 31.823 -0.351 0.000 0.648 97 V HN 0.309 nan 8.190 nan 0.000 0.447 98 K N -0.609 119.786 120.400 -0.008 0.000 2.147 98 K HA -0.149 4.172 4.320 0.001 0.000 0.205 98 K C 1.841 178.448 176.600 0.011 0.000 1.049 98 K CA 1.301 57.600 56.287 0.021 0.000 0.936 98 K CB -0.457 32.067 32.500 0.040 0.000 0.722 98 K HN 0.755 nan 8.250 nan 0.000 0.446 99 E N -0.959 119.243 120.200 0.003 0.000 2.502 99 E HA 0.112 4.462 4.350 0.001 0.000 0.194 99 E C 1.040 177.629 176.600 -0.018 0.000 1.062 99 E CA 0.348 56.748 56.400 -0.000 0.000 0.867 99 E CB 0.204 29.907 29.700 0.004 0.000 0.888 99 E HN 0.539 nan 8.360 nan 0.000 0.510 100 G N 1.904 110.686 108.800 -0.029 0.000 2.153 100 G HA2 -0.354 3.607 3.960 0.001 0.000 0.252 100 G HA3 -0.354 3.607 3.960 0.001 0.000 0.252 100 G C 0.793 175.651 174.900 -0.071 0.000 0.994 100 G CA 0.752 45.827 45.100 -0.040 0.000 0.698 100 G HN 0.282 nan 8.290 nan 0.000 0.521 101 K N -0.375 119.969 120.400 -0.093 0.000 2.352 101 K HA 0.577 4.897 4.320 0.001 0.000 0.194 101 K C 1.208 177.654 176.600 -0.257 0.000 1.038 101 K CA 0.883 57.064 56.287 -0.177 0.000 1.023 101 K CB 0.583 33.017 32.500 -0.109 0.000 0.840 101 K HN 0.687 nan 8.250 nan 0.000 0.519 102 A N 0.550 123.284 122.820 -0.144 0.000 2.524 102 A HA 0.719 5.040 4.320 0.001 0.000 0.286 102 A C -1.688 175.845 177.584 -0.086 0.000 1.203 102 A CA -0.808 51.126 52.037 -0.172 0.000 0.736 102 A CB 0.920 19.788 19.000 -0.219 0.000 1.322 102 A HN 0.182 nan 8.150 nan 0.000 0.424 103 Y N -3.337 116.789 120.300 -0.290 0.000 2.641 103 Y HA 0.701 5.251 4.550 0.000 0.000 0.333 103 Y C -1.705 173.991 175.900 -0.340 0.000 1.174 103 Y CA -1.626 56.279 58.100 -0.326 0.000 1.057 103 Y CB 0.310 38.674 38.460 -0.160 0.000 1.322 103 Y HN 0.590 nan 8.280 nan 0.000 0.457 104 Y N 1.043 121.369 120.300 0.043 0.000 2.304 104 Y HA 0.609 5.160 4.550 0.001 0.000 0.327 104 Y C -0.196 175.613 175.900 -0.151 0.000 1.209 104 Y CA -0.937 57.083 58.100 -0.134 0.000 1.299 104 Y CB 1.486 39.857 38.460 -0.148 0.000 1.249 104 Y HN 0.519 nan 8.280 nan 0.000 0.519 105 V N 3.390 123.173 119.914 -0.217 0.000 2.623 105 V HA 0.168 4.288 4.120 0.001 0.000 0.304 105 V C -0.995 174.830 176.094 -0.448 0.000 1.054 105 V CA -1.101 60.988 62.300 -0.351 0.000 0.882 105 V CB 1.390 32.688 31.823 -0.875 0.000 1.002 105 V HN 0.716 nan 8.190 nan 0.000 0.424 106 Y N 2.232 122.385 120.300 -0.245 0.000 2.571 106 Y HA 0.585 5.135 4.550 0.000 0.000 0.275 106 Y C 1.222 176.822 175.900 -0.501 0.000 1.179 106 Y CA -0.004 57.785 58.100 -0.519 0.000 1.242 106 Y CB 0.532 38.688 38.460 -0.507 0.000 1.126 106 Y HN 0.653 nan 8.280 nan 0.000 0.524 107 A N -0.331 122.283 122.820 -0.343 0.000 2.331 107 A HA 0.405 4.725 4.320 0.001 0.000 0.283 107 A C -0.857 176.555 177.584 -0.287 0.000 1.142 107 A CA -0.431 51.219 52.037 -0.646 0.000 0.812 107 A CB -0.018 18.283 19.000 -1.165 0.000 1.074 107 A HN 0.319 nan 8.150 nan 0.000 0.497 108 Y N 2.511 122.766 120.300 -0.076 0.000 2.426 108 Y HA 0.199 4.749 4.550 0.000 0.000 0.344 108 Y C -1.219 174.674 175.900 -0.012 0.000 1.256 108 Y CA -0.844 57.282 58.100 0.044 0.000 1.451 108 Y CB 0.246 38.749 38.460 0.073 0.000 1.342 108 Y HN 0.556 nan 8.280 nan 0.000 0.600 109 P HA -0.152 nan 4.420 nan 0.000 0.223 109 P C 1.307 178.671 177.300 0.107 0.000 1.151 109 P CA 1.206 64.378 63.100 0.120 0.000 0.787 109 P CB 0.344 32.101 31.700 0.095 0.000 0.788 110 E N 0.644 120.914 120.200 0.116 0.000 2.106 110 E HA -0.112 4.239 4.350 0.001 0.000 0.192 110 E C 0.587 177.244 176.600 0.094 0.000 0.984 110 E CA 0.944 57.390 56.400 0.076 0.000 0.806 110 E CB 0.018 29.733 29.700 0.025 0.000 0.750 110 E HN 0.382 nan 8.360 nan 0.000 0.458 111 E N -0.697 119.575 120.200 0.119 0.000 2.869 111 E HA 0.189 4.539 4.350 0.001 0.000 0.258 111 E C 1.421 178.052 176.600 0.052 0.000 1.354 111 E CA 0.173 56.632 56.400 0.097 0.000 1.065 111 E CB 0.857 30.598 29.700 0.068 0.000 1.215 111 E HN 0.025 nan 8.360 nan 0.000 0.659 112 I N -1.394 119.195 120.570 0.031 0.000 4.519 112 I HA -0.471 3.699 4.170 0.001 0.000 0.056 112 I C 1.896 178.100 176.117 0.145 0.000 0.610 112 I CA 1.781 63.109 61.300 0.047 0.000 0.951 112 I CB -1.102 36.904 38.000 0.011 0.000 0.858 112 I HN 0.515 nan 8.210 nan 0.000 0.164 113 E N 1.976 122.257 120.200 0.136 0.000 2.160 113 E HA -0.096 4.254 4.350 0.001 0.000 0.195 113 E C 0.826 177.501 176.600 0.125 0.000 0.991 113 E CA 1.550 58.034 56.400 0.140 0.000 0.810 113 E CB 0.024 29.788 29.700 0.107 0.000 0.742 113 E HN 0.570 nan 8.360 nan 0.000 0.466 117 E N 1.186 121.441 120.200 0.093 0.000 2.152 117 E HA -0.092 4.258 4.350 0.001 0.000 0.192 117 E C 1.267 177.896 176.600 0.048 0.000 0.983 117 E CA 1.232 57.669 56.400 0.060 0.000 0.818 117 E CB 0.063 29.797 29.700 0.057 0.000 0.758 117 E HN 0.258 nan 8.360 nan 0.000 0.467 118 K N 1.154 121.589 120.400 0.059 0.000 2.057 118 K HA -0.131 4.190 4.320 0.001 0.000 0.206 118 K C 2.079 178.698 176.600 0.032 0.000 1.050 118 K CA 0.842 57.156 56.287 0.045 0.000 0.935 118 K CB 0.004 32.536 32.500 0.053 0.000 0.715 118 K HN 0.070 nan 8.250 nan 0.000 0.439 119 L N 0.960 122.205 121.223 0.036 0.000 2.046 119 L HA -0.193 4.147 4.340 0.001 0.000 0.208 119 L C 2.403 179.268 176.870 -0.008 0.000 1.077 119 L CA 1.039 55.885 54.840 0.010 0.000 0.747 119 L CB -0.350 41.711 42.059 0.003 0.000 0.896 119 L HN 0.222 nan 8.230 nan 0.000 0.432 120 L N -0.581 120.639 121.223 -0.004 0.000 2.046 120 L HA -0.188 4.152 4.340 0.001 0.000 0.208 120 L C 2.875 179.744 176.870 -0.002 0.000 1.077 120 L CA 1.515 56.348 54.840 -0.011 0.000 0.747 120 L CB -0.603 41.454 42.059 -0.003 0.000 0.896 120 L HN 0.399 nan 8.230 nan 0.000 0.432 121 S N -0.641 115.064 115.700 0.007 0.000 2.383 121 S HA -0.188 4.282 4.470 0.001 0.000 0.227 121 S C 1.611 176.214 174.600 0.005 0.000 1.026 121 S CA 0.943 59.148 58.200 0.008 0.000 0.981 121 S CB -0.374 62.834 63.200 0.014 0.000 0.818 121 S HN 0.473 nan 8.310 nan 0.000 0.472 122 E N 0.991 121.193 120.200 0.004 0.000 2.511 122 E HA 0.227 4.577 4.350 0.001 0.000 0.196 122 E C 1.357 177.955 176.600 -0.004 0.000 1.066 122 E CA 0.203 56.604 56.400 0.001 0.000 0.871 122 E CB -0.362 29.339 29.700 0.002 0.000 0.863 122 E HN 0.755 nan 8.360 nan 0.000 0.520 123 G N 1.840 110.635 108.800 -0.007 0.000 2.179 123 G HA2 -0.337 3.624 3.960 0.001 0.000 0.260 123 G HA3 -0.337 3.624 3.960 0.001 0.000 0.260 123 G C 0.250 175.139 174.900 -0.019 0.000 0.977 123 G CA 0.463 45.556 45.100 -0.011 0.000 0.641 123 G HN 0.213 nan 8.290 nan 0.000 0.533 124 K N 0.681 121.067 120.400 -0.024 0.000 2.138 124 K HA 0.657 4.977 4.320 0.001 0.000 0.251 124 K C 0.865 177.416 176.600 -0.081 0.000 1.015 124 K CA -0.051 56.215 56.287 -0.035 0.000 0.917 124 K CB 0.840 33.326 32.500 -0.024 0.000 1.021 124 K HN 0.512 nan 8.250 nan 0.000 0.485 125 A N 2.495 125.244 122.820 -0.118 0.000 2.407 125 A HA 0.190 4.511 4.320 0.001 0.000 0.248 125 A C -1.852 175.497 177.584 -0.392 0.000 1.082 125 A CA -1.073 50.780 52.037 -0.306 0.000 0.785 125 A CB -0.220 18.567 19.000 -0.354 0.000 1.020 125 A HN 0.531 nan 8.150 nan 0.000 0.489 126 P HA 0.121 nan 4.420 nan 0.000 0.226 126 P C -0.790 176.206 177.300 -0.505 0.000 1.758 126 P CA 0.284 63.157 63.100 -0.378 0.000 0.896 126 P CB -0.692 30.858 31.700 -0.251 0.000 1.784 127 H N 0.138 119.081 119.070 -0.212 0.000 2.488 127 H HA 0.314 4.871 4.556 0.000 0.000 0.322 127 H C -0.093 175.179 175.328 -0.093 0.000 1.078 127 H CA -0.730 55.210 56.048 -0.180 0.000 1.260 127 H CB 0.541 30.286 29.762 -0.028 0.000 1.425 127 H HN 0.078 nan 8.280 nan 0.000 0.471 128 Y N 1.037 121.529 120.300 0.319 0.000 2.307 128 Y HA 0.364 4.915 4.550 0.001 0.000 0.324 128 Y C 0.520 176.574 175.900 0.256 0.000 1.238 128 Y CA -0.626 57.633 58.100 0.264 0.000 1.280 128 Y CB 1.277 40.035 38.460 0.496 0.000 1.248 128 Y HN 0.530 nan 8.280 nan 0.000 0.508 129 S N 0.210 116.100 115.700 0.318 0.000 2.595 129 S HA 0.191 4.662 4.470 0.001 0.000 0.281 129 S C 0.645 175.341 174.600 0.160 0.000 1.117 129 S CA -1.022 57.297 58.200 0.199 0.000 0.873 129 S CB 2.026 65.266 63.200 0.068 0.000 1.108 129 S HN 0.776 nan 8.310 nan 0.000 0.477 130 Q N 0.895 120.666 119.800 -0.048 0.000 2.124 130 Q HA -0.137 4.204 4.340 0.001 0.000 0.202 130 Q C 0.949 176.880 176.000 -0.115 0.000 0.977 130 Q CA 1.310 56.903 55.803 -0.351 0.000 0.850 130 Q CB -0.045 28.149 28.738 -0.906 0.000 0.901 130 Q HN 0.757 nan 8.270 nan 0.000 0.429 134 E N 1.584 121.884 120.200 0.166 0.000 2.204 134 E HA -0.155 4.196 4.350 0.001 0.000 0.195 134 E C 1.541 178.134 176.600 -0.012 0.000 0.990 134 E CA 1.202 57.645 56.400 0.072 0.000 0.821 134 E CB -0.057 29.644 29.700 0.003 0.000 0.750 134 E HN 0.421 nan 8.360 nan 0.000 0.477 135 K N 0.237 120.557 120.400 -0.133 0.000 2.063 135 K HA -0.158 4.163 4.320 0.001 0.000 0.208 135 K C 1.688 178.074 176.600 -0.356 0.000 1.048 135 K CA 1.416 57.493 56.287 -0.350 0.000 0.928 135 K CB -0.215 31.866 32.500 -0.699 0.000 0.713 135 K HN 0.145 nan 8.250 nan 0.000 0.442 136 F N 1.053 121.016 119.950 0.023 0.000 2.615 136 F HA 0.010 4.538 4.527 0.000 0.000 0.297 136 F C 0.953 176.722 175.800 -0.052 0.000 1.124 136 F CA 0.011 58.018 58.000 0.012 0.000 1.451 136 F CB -0.081 38.952 39.000 0.055 0.000 1.103 136 F HN -0.093 nan 8.300 nan 0.000 0.569 137 D N 1.703 122.162 120.400 0.098 0.000 2.470 137 D HA 0.086 4.726 4.640 0.001 0.000 0.226 137 D C 0.015 176.225 176.300 -0.150 0.000 1.196 137 D CA 0.269 54.220 54.000 -0.082 0.000 0.979 137 D CB -0.039 40.777 40.800 0.026 0.000 1.059 137 D HN 0.175 nan 8.370 nan 0.000 0.515 138 T N 0.230 114.665 114.554 -0.199 0.000 2.906 138 T HA 0.499 4.849 4.350 0.001 0.000 0.295 138 T C -1.885 172.699 174.700 -0.193 0.000 1.075 138 T CA -1.479 60.530 62.100 -0.153 0.000 1.005 138 T CB 2.220 71.034 68.868 -0.090 0.000 1.136 138 T HN -0.096 nan 8.240 nan 0.000 0.498 139 P HA -0.015 nan 4.420 nan 0.000 0.220 139 P C 1.258 178.505 177.300 -0.088 0.000 1.148 139 P CA 0.821 63.846 63.100 -0.124 0.000 0.803 139 P CB 0.080 31.732 31.700 -0.081 0.000 0.782 140 E N 0.172 120.337 120.200 -0.058 0.000 2.072 140 E HA -0.180 4.170 4.350 0.001 0.000 0.191 140 E C 2.284 178.886 176.600 0.005 0.000 0.985 140 E CA 1.298 57.690 56.400 -0.014 0.000 0.801 140 E CB -0.866 28.837 29.700 0.004 0.000 0.750 140 E HN 0.219 nan 8.360 nan 0.000 0.452 141 R N 1.072 121.553 120.500 -0.031 0.000 2.075 141 R HA 0.031 4.371 4.340 0.001 0.000 0.232 141 R C 2.295 178.543 176.300 -0.086 0.000 1.126 141 R CA 1.554 57.639 56.100 -0.025 0.000 0.963 141 R CB -0.400 29.857 30.300 -0.073 0.000 0.858 141 R HN 0.186 nan 8.270 nan 0.000 0.435 142 R N -0.214 120.152 120.500 -0.223 0.000 2.096 142 R HA -0.090 4.250 4.340 0.001 0.000 0.235 142 R C 2.391 178.698 176.300 0.012 0.000 1.127 142 R CA 1.521 57.505 56.100 -0.194 0.000 0.968 142 R CB -0.371 29.737 30.300 -0.320 0.000 0.861 142 R HN 0.235 nan 8.270 nan 0.000 0.440 143 R N 1.163 121.670 120.500 0.011 0.000 2.075 143 R HA -0.143 4.197 4.340 0.001 0.000 0.232 143 R C 2.057 178.422 176.300 0.109 0.000 1.126 143 R CA 1.486 57.616 56.100 0.050 0.000 0.963 143 R CB -0.059 30.258 30.300 0.029 0.000 0.858 143 R HN 0.239 nan 8.270 nan 0.000 0.435 144 E N -0.723 119.566 120.200 0.149 0.000 2.110 144 E HA -0.225 4.125 4.350 0.001 0.000 0.193 144 E C 1.569 178.344 176.600 0.293 0.000 0.988 144 E CA 1.218 57.749 56.400 0.219 0.000 0.804 144 E CB -0.048 29.819 29.700 0.278 0.000 0.745 144 E HN 0.346 nan 8.360 nan 0.000 0.458 145 Y N 1.018 121.367 120.300 0.082 0.000 2.200 145 Y HA -0.188 4.362 4.550 0.000 0.000 0.290 145 Y C 2.688 178.623 175.900 0.059 0.000 1.137 145 Y CA 1.449 59.592 58.100 0.071 0.000 1.163 145 Y CB -0.607 37.906 38.460 0.088 0.000 0.988 145 Y HN 0.008 nan 8.280 nan 0.000 0.518 146 E N -0.156 120.166 120.200 0.204 0.000 2.031 146 E HA -0.221 4.130 4.350 0.001 0.000 0.193 146 E C 1.992 178.637 176.600 0.077 0.000 0.994 146 E CA 1.480 57.947 56.400 0.111 0.000 0.800 146 E CB -0.530 29.220 29.700 0.082 0.000 0.752 146 E HN 0.652 nan 8.360 nan 0.000 0.447 147 E N -0.259 119.989 120.200 0.081 0.000 2.204 147 E HA -0.114 4.236 4.350 0.001 0.000 0.195 147 E C 1.958 178.588 176.600 0.050 0.000 0.990 147 E CA 0.920 57.355 56.400 0.060 0.000 0.821 147 E CB -0.052 29.686 29.700 0.062 0.000 0.750 147 E HN 0.114 nan 8.360 nan 0.000 0.477 148 K N -0.536 119.897 120.400 0.056 0.000 2.397 148 K HA 0.071 4.391 4.320 0.001 0.000 0.202 148 K C 0.630 177.226 176.600 -0.007 0.000 1.022 148 K CA 0.515 56.819 56.287 0.028 0.000 1.141 148 K CB 0.479 33.006 32.500 0.045 0.000 0.857 148 K HN 0.173 nan 8.250 nan 0.000 0.514 149 G N 1.261 110.062 108.800 0.002 0.000 2.166 149 G HA2 -0.276 3.685 3.960 0.001 0.000 0.260 149 G HA3 -0.276 3.685 3.960 0.001 0.000 0.260 149 G C -0.064 174.812 174.900 -0.041 0.000 0.986 149 G CA 0.511 45.605 45.100 -0.010 0.000 0.683 149 G HN 0.240 nan 8.290 nan 0.000 0.527 150 L N -0.724 120.442 121.223 -0.096 0.000 2.399 150 L HA 0.735 5.076 4.340 0.001 0.000 0.265 150 L C 1.076 177.920 176.870 -0.043 0.000 1.089 150 L CA -1.021 53.695 54.840 -0.208 0.000 0.802 150 L CB 0.988 42.645 42.059 -0.670 0.000 1.180 150 L HN 0.130 nan 8.230 nan 0.000 0.454 151 R N 1.156 121.650 120.500 -0.010 0.000 2.854 151 R HA 0.486 4.826 4.340 0.001 0.000 0.271 151 R C -2.603 173.787 176.300 0.149 0.000 0.996 151 R CA -1.927 54.224 56.100 0.084 0.000 0.961 151 R CB 1.409 31.718 30.300 0.015 0.000 1.182 151 R HN 0.336 nan 8.270 nan 0.000 0.479 152 P HA 0.077 nan 4.420 nan 0.000 0.276 152 P C -0.788 176.446 177.300 -0.110 0.000 1.230 152 P CA -0.201 62.701 63.100 -0.329 0.000 0.776 152 P CB 0.933 31.982 31.700 -1.086 0.000 0.888 153 A N 3.685 126.458 122.820 -0.079 0.000 2.462 153 A HA 0.294 4.614 4.320 0.001 0.000 0.243 153 A C 0.141 177.693 177.584 -0.052 0.000 1.076 153 A CA -0.246 51.762 52.037 -0.048 0.000 0.773 153 A CB -0.093 18.909 19.000 0.003 0.000 1.010 153 A HN 0.403 nan 8.150 nan 0.000 0.493 154 V N 2.923 122.749 119.914 -0.146 0.000 2.407 154 V HA 0.403 4.523 4.120 0.001 0.000 0.278 154 V C -0.580 175.273 176.094 -0.401 0.000 1.037 154 V CA -0.071 62.063 62.300 -0.277 0.000 0.900 154 V CB 0.400 32.024 31.823 -0.332 0.000 0.983 154 V HN 0.658 nan 8.190 nan 0.000 0.459 155 F N 3.990 123.464 119.950 -0.794 0.000 2.458 155 F HA 0.571 5.098 4.527 0.000 0.000 0.330 155 F C -0.239 175.074 175.800 -0.811 0.000 1.082 155 F CA -1.043 56.444 58.000 -0.856 0.000 0.995 155 F CB 1.707 40.023 39.000 -1.139 0.000 1.170 155 F HN 0.445 nan 8.300 nan 0.000 0.478 156 F N 3.925 123.470 119.950 -0.675 0.000 2.408 156 F HA 0.461 4.989 4.527 0.000 0.000 0.344 156 F C 0.106 175.698 175.800 -0.348 0.000 1.112 156 F CA -0.784 56.855 58.000 -0.602 0.000 1.096 156 F CB 0.551 39.010 39.000 -0.901 0.000 1.129 156 F HN 0.412 nan 8.300 nan 0.000 0.486 160 R N 1.068 121.608 120.500 0.067 0.000 3.268 160 R HA 0.518 4.858 4.340 0.001 0.000 0.217 160 R C 0.479 176.800 176.300 0.035 0.000 1.568 160 R CA -0.352 55.779 56.100 0.053 0.000 1.322 160 R CB -0.814 29.502 30.300 0.028 0.000 1.280 160 R HN 0.697 nan 8.270 nan 0.000 0.667 161 K N -1.518 118.910 120.400 0.046 0.000 2.556 161 K HA 0.473 4.793 4.320 0.001 0.000 0.274 161 K C -1.714 174.833 176.600 -0.087 0.000 0.966 161 K CA -1.138 55.113 56.287 -0.060 0.000 0.865 161 K CB 1.485 33.885 32.500 -0.166 0.000 1.444 161 K HN -0.010 nan 8.250 nan 0.000 0.433 162 D N 0.987 121.313 120.400 -0.122 0.000 2.345 162 D HA 0.226 4.867 4.640 0.001 0.000 0.247 162 D C -1.112 175.054 176.300 -0.224 0.000 1.108 162 D CA 0.409 54.380 54.000 -0.049 0.000 0.894 162 D CB 0.309 41.101 40.800 -0.013 0.000 1.203 162 D HN 0.319 nan 8.370 nan 0.000 0.430 163 Y N 0.150 120.547 120.300 0.161 0.000 2.350 163 Y HA 0.406 4.956 4.550 0.001 0.000 0.338 163 Y C -0.181 175.845 175.900 0.211 0.000 0.961 163 Y CA -0.931 57.284 58.100 0.192 0.000 1.100 163 Y CB 1.714 40.303 38.460 0.214 0.000 1.179 163 Y HN 0.010 nan 8.280 nan 0.000 0.454 164 V N 5.523 125.595 119.914 0.264 0.000 2.357 164 V HA 0.283 4.403 4.120 0.001 0.000 0.284 164 V C -0.767 175.430 176.094 0.171 0.000 1.018 164 V CA -0.752 61.639 62.300 0.152 0.000 0.841 164 V CB 1.406 33.275 31.823 0.076 0.000 0.991 164 V HN 0.510 nan 8.190 nan 0.000 0.437 165 L N 5.617 126.920 121.223 0.134 0.000 2.257 165 L HA 0.528 4.868 4.340 0.001 0.000 0.290 165 L C 0.274 177.197 176.870 0.089 0.000 1.044 165 L CA 0.307 55.228 54.840 0.136 0.000 0.810 165 L CB 0.899 43.037 42.059 0.132 0.000 1.193 165 L HN 0.502 nan 8.230 nan 0.000 0.425 166 N N 3.954 122.728 118.700 0.124 0.000 2.918 166 N HA 0.085 4.826 4.740 0.001 0.000 0.247 166 N C -0.855 174.738 175.510 0.138 0.000 1.117 166 N CA -0.180 52.929 53.050 0.098 0.000 1.005 166 N CB 0.279 38.814 38.487 0.080 0.000 1.297 166 N HN 0.707 nan 8.380 nan 0.000 0.513 167 D N -0.213 120.271 120.400 0.139 0.000 2.372 167 D HA 0.062 4.702 4.640 0.001 0.000 0.243 167 D C 1.424 177.804 176.300 0.133 0.000 1.121 167 D CA -0.389 53.728 54.000 0.194 0.000 0.898 167 D CB 1.492 42.414 40.800 0.203 0.000 1.202 167 D HN -0.041 nan 8.370 nan 0.000 0.428 168 V N 2.818 122.812 119.914 0.132 0.000 2.379 168 V HA -0.154 3.967 4.120 0.001 0.000 0.245 168 V C 1.874 178.004 176.094 0.060 0.000 1.044 168 V CA 1.137 63.480 62.300 0.073 0.000 1.036 168 V CB -0.242 31.605 31.823 0.041 0.000 0.664 168 V HN 0.549 nan 8.190 nan 0.000 0.453 169 V N -0.791 119.177 119.914 0.089 0.000 2.374 169 V HA -0.021 4.099 4.120 0.001 0.000 0.241 169 V C 2.354 178.494 176.094 0.077 0.000 1.034 169 V CA 1.156 63.504 62.300 0.080 0.000 1.037 169 V CB -0.570 31.323 31.823 0.115 0.000 0.682 169 V HN 0.364 nan 8.190 nan 0.000 0.463 170 K N 0.498 120.959 120.400 0.101 0.000 2.296 170 K HA 0.210 4.530 4.320 0.001 0.000 0.200 170 K C 1.264 177.883 176.600 0.032 0.000 1.048 170 K CA 0.976 57.301 56.287 0.063 0.000 0.966 170 K CB -0.410 32.125 32.500 0.058 0.000 0.754 170 K HN 0.569 nan 8.250 nan 0.000 0.466 171 G N 1.687 110.513 108.800 0.044 0.000 2.512 171 G HA2 -0.309 3.652 3.960 0.001 0.000 0.240 171 G HA3 -0.309 3.652 3.960 0.001 0.000 0.240 171 G C -0.786 174.122 174.900 0.013 0.000 1.246 171 G CA -0.117 44.999 45.100 0.026 0.000 0.919 171 G HN 0.272 nan 8.290 nan 0.000 0.577 172 E N -0.103 120.093 120.200 -0.007 0.000 2.217 172 E HA 0.428 4.778 4.350 0.001 0.000 0.279 172 E C -0.335 176.216 176.600 -0.082 0.000 1.068 172 E CA -0.306 56.079 56.400 -0.026 0.000 0.882 172 E CB 0.551 30.239 29.700 -0.020 0.000 1.039 172 E HN 0.468 nan 8.360 nan 0.000 0.418 173 V N 6.221 126.052 119.914 -0.138 0.000 2.304 173 V HA 0.139 4.260 4.120 0.001 0.000 0.278 173 V C -0.166 175.661 176.094 -0.446 0.000 1.018 173 V CA -0.786 61.323 62.300 -0.319 0.000 0.814 173 V CB 1.378 32.964 31.823 -0.395 0.000 1.021 173 V HN 0.446 nan 8.190 nan 0.000 0.440 174 V N 5.725 125.438 119.914 -0.335 0.000 2.455 174 V HA 0.326 4.446 4.120 0.001 0.000 0.273 174 V C -0.231 175.684 176.094 -0.298 0.000 1.045 174 V CA -0.014 62.155 62.300 -0.218 0.000 0.976 174 V CB 0.552 32.320 31.823 -0.092 0.000 0.993 174 V HN 0.629 nan 8.190 nan 0.000 0.475 175 F N 4.388 124.377 119.950 0.065 0.000 2.303 175 F HA 0.472 4.999 4.527 0.001 0.000 0.368 175 F C 0.489 176.345 175.800 0.094 0.000 1.105 175 F CA -0.870 57.176 58.000 0.076 0.000 1.153 175 F CB 0.977 40.037 39.000 0.100 0.000 1.362 175 F HN 0.315 nan 8.300 nan 0.000 0.511 176 K N 1.456 121.974 120.400 0.198 0.000 2.295 176 K HA 0.118 4.438 4.320 0.001 0.000 0.270 176 K C 0.553 177.236 176.600 0.137 0.000 1.011 176 K CA -0.035 56.329 56.287 0.128 0.000 0.953 176 K CB 0.665 33.211 32.500 0.076 0.000 0.956 176 K HN 0.527 nan 8.250 nan 0.000 0.477 177 T N 2.359 116.972 114.554 0.098 0.000 2.933 177 T HA 0.233 4.583 4.350 0.001 0.000 0.306 177 T C 0.833 175.569 174.700 0.060 0.000 1.045 177 T CA 1.498 63.648 62.100 0.083 0.000 1.143 177 T CB -0.428 68.469 68.868 0.047 0.000 1.003 177 T HN 0.874 nan 8.240 nan 0.000 0.540 178 G N 2.778 111.600 108.800 0.036 0.000 2.160 178 G HA2 -0.133 3.827 3.960 0.001 0.000 0.244 178 G HA3 -0.133 3.827 3.960 0.001 0.000 0.244 178 G C 0.878 175.741 174.900 -0.061 0.000 1.022 178 G CA 0.450 45.535 45.100 -0.025 0.000 0.741 178 G HN 1.217 nan 8.290 nan 0.000 0.508 179 A N -0.483 122.324 122.820 -0.023 0.000 1.832 179 A HA 0.577 4.897 4.320 0.001 0.000 0.214 179 A C 1.553 179.077 177.584 -0.101 0.000 1.204 179 A CA 1.681 53.729 52.037 0.018 0.000 0.606 179 A CB -0.191 18.871 19.000 0.103 0.000 0.849 179 A HN 1.647 nan 8.150 nan 0.000 0.445 180 I N -4.800 115.659 120.570 -0.185 0.000 3.237 180 I HA 0.821 4.992 4.170 0.001 0.000 0.308 180 I C 0.476 176.369 176.117 -0.373 0.000 1.093 180 I CA -0.746 60.419 61.300 -0.224 0.000 1.001 180 I CB 1.556 39.547 38.000 -0.015 0.000 1.245 180 I HN 0.178 nan 8.210 nan 0.000 0.485 181 G N 0.405 109.165 108.800 -0.066 0.000 2.990 181 G HA2 0.387 4.347 3.960 0.001 0.000 0.208 181 G HA3 0.387 4.347 3.960 0.001 0.000 0.208 181 G C -1.222 173.871 174.900 0.321 0.000 1.334 181 G CA -0.531 44.634 45.100 0.108 0.000 1.024 181 G HN 0.656 nan 8.290 nan 0.000 0.574 182 D N 0.044 120.671 120.400 0.379 0.000 2.382 182 D HA 0.468 5.108 4.640 0.001 0.000 0.240 182 D C -0.250 176.404 176.300 0.589 0.000 1.146 182 D CA 0.577 54.816 54.000 0.399 0.000 0.897 182 D CB 0.864 41.964 40.800 0.499 0.000 1.197 182 D HN 0.283 nan 8.370 nan 0.000 0.432 183 F N -2.051 118.094 119.950 0.326 0.000 2.626 183 F HA 0.554 5.081 4.527 0.000 0.000 0.311 183 F C -0.876 174.643 175.800 -0.469 0.000 1.088 183 F CA -1.503 56.538 58.000 0.068 0.000 0.949 183 F CB 0.478 39.502 39.000 0.039 0.000 1.322 183 F HN 0.003 nan 8.300 nan 0.000 0.461 184 V N 3.760 123.289 119.914 -0.642 0.000 2.521 184 V HA 0.269 4.390 4.120 0.001 0.000 0.286 184 V C 0.614 176.462 176.094 -0.410 0.000 1.034 184 V CA -0.378 61.315 62.300 -1.013 0.000 1.045 184 V CB 0.275 31.626 31.823 -0.786 0.000 0.974 184 V HN 0.783 nan 8.190 nan 0.000 0.480 188 S N -0.124 115.554 115.700 -0.037 0.000 2.507 188 S HA -0.146 4.324 4.470 0.001 0.000 0.235 188 S C 0.985 175.542 174.600 -0.072 0.000 0.988 188 S CA 1.474 59.650 58.200 -0.040 0.000 0.944 188 S CB -0.408 62.760 63.200 -0.055 0.000 0.762 188 S HN 0.689 nan 8.310 nan 0.000 0.526 189 N N 1.074 119.745 118.700 -0.048 0.000 2.370 189 N HA 0.256 4.996 4.740 0.001 0.000 0.198 189 N C 1.198 176.700 175.510 -0.012 0.000 1.156 189 N CA 0.490 53.518 53.050 -0.036 0.000 0.839 189 N CB -0.501 37.971 38.487 -0.024 0.000 0.989 189 N HN 0.531 nan 8.380 nan 0.000 0.468 190 G N -0.415 108.382 108.800 -0.004 0.000 2.179 190 G HA2 -0.266 3.694 3.960 0.001 0.000 0.260 190 G HA3 -0.266 3.694 3.960 0.001 0.000 0.260 190 G C -0.286 174.640 174.900 0.044 0.000 0.977 190 G CA 0.454 45.568 45.100 0.022 0.000 0.641 190 G HN 0.361 nan 8.290 nan 0.000 0.533 191 L N 2.085 123.324 121.223 0.026 0.000 2.343 191 L HA 0.533 4.873 4.340 0.001 0.000 0.275 191 L C -1.471 175.403 176.870 0.006 0.000 1.056 191 L CA -2.248 52.612 54.840 0.035 0.000 0.804 191 L CB 1.445 43.515 42.059 0.018 0.000 1.203 191 L HN -0.022 nan 8.230 nan 0.000 0.440 192 P HA 0.177 nan 4.420 nan 0.000 0.278 192 P C -0.670 176.583 177.300 -0.079 0.000 1.258 192 P CA -0.403 62.663 63.100 -0.057 0.000 0.811 192 P CB 1.005 32.562 31.700 -0.238 0.000 1.063 193 T N -1.869 112.651 114.554 -0.056 0.000 2.816 193 T HA 0.087 4.438 4.350 0.001 0.000 0.282 193 T C 1.117 175.793 174.700 -0.041 0.000 0.993 193 T CA -0.252 61.830 62.100 -0.030 0.000 0.994 193 T CB 0.109 68.965 68.868 -0.021 0.000 1.025 193 T HN 0.446 nan 8.240 nan 0.000 0.529 194 Y N 1.945 122.194 120.300 -0.085 0.000 2.097 194 Y HA -0.193 4.357 4.550 0.000 0.000 0.282 194 Y C 2.269 178.109 175.900 -0.101 0.000 1.152 194 Y CA 2.061 60.104 58.100 -0.096 0.000 1.136 194 Y CB -0.843 37.584 38.460 -0.055 0.000 0.975 194 Y HN 0.626 nan 8.280 nan 0.000 0.498 195 N N -0.047 118.371 118.700 -0.470 0.000 2.104 195 N HA -0.228 4.512 4.740 0.001 0.000 0.190 195 N C 1.841 177.140 175.510 -0.352 0.000 1.024 195 N CA 1.800 54.531 53.050 -0.532 0.000 0.853 195 N CB -0.892 37.422 38.487 -0.288 0.000 1.008 195 N HN 0.476 nan 8.380 nan 0.000 0.424 196 F N 1.671 121.422 119.950 -0.331 0.000 2.113 196 F HA 0.018 4.545 4.527 0.000 0.000 0.297 196 F C 2.294 177.883 175.800 -0.352 0.000 1.103 196 F CA 1.170 59.009 58.000 -0.269 0.000 1.248 196 F CB -0.544 38.343 39.000 -0.187 0.000 0.999 196 F HN 0.007 nan 8.300 nan 0.000 0.475 197 A N -0.761 121.742 122.820 -0.529 0.000 1.933 197 A HA -0.241 4.079 4.320 0.001 0.000 0.218 197 A C 2.447 179.742 177.584 -0.480 0.000 1.175 197 A CA 1.613 53.175 52.037 -0.792 0.000 0.628 197 A CB -1.792 16.672 19.000 -0.893 0.000 0.814 197 A HN 0.647 nan 8.150 nan 0.000 0.444 198 C N -0.962 118.039 119.300 -0.499 0.000 2.432 198 C HA -0.073 4.387 4.460 0.001 0.000 0.277 198 C C 2.691 177.481 174.990 -0.333 0.000 1.249 198 C CA 1.447 60.214 59.018 -0.419 0.000 1.725 198 C CB -1.327 26.007 27.740 -0.677 0.000 2.028 198 C HN 0.417 nan 8.230 nan 0.000 0.477 199 V N 0.600 120.251 119.914 -0.439 0.000 2.307 199 V HA -0.151 3.969 4.120 0.001 0.000 0.245 199 V C 2.558 178.340 176.094 -0.519 0.000 1.045 199 V CA 2.182 64.159 62.300 -0.539 0.000 1.024 199 V CB -0.755 30.658 31.823 -0.683 0.000 0.651 199 V HN 0.509 nan 8.190 nan 0.000 0.449 200 V N 0.449 119.992 119.914 -0.618 0.000 2.332 200 V HA -0.271 3.849 4.120 0.001 0.000 0.248 200 V C 2.261 178.108 176.094 -0.412 0.000 1.055 200 V CA 2.281 64.168 62.300 -0.689 0.000 1.038 200 V CB -0.686 30.645 31.823 -0.820 0.000 0.651 200 V HN 0.581 nan 8.190 nan 0.000 0.450 201 D N -0.670 119.587 120.400 -0.238 0.000 2.123 201 D HA -0.041 4.599 4.640 0.001 0.000 0.200 201 D C 0.944 177.186 176.300 -0.097 0.000 0.976 201 D CA 0.620 54.540 54.000 -0.134 0.000 0.831 201 D CB -0.309 40.456 40.800 -0.058 0.000 0.974 201 D HN 0.422 nan 8.370 nan 0.000 0.469 207 I N 2.168 122.718 120.570 -0.033 0.000 2.598 207 I HA -0.056 4.115 4.170 0.001 0.000 0.284 207 I C 1.931 178.019 176.117 -0.048 0.000 1.140 207 I CA 0.930 62.222 61.300 -0.013 0.000 1.420 207 I CB 0.879 38.881 38.000 0.002 0.000 1.387 207 I HN 0.250 nan 8.210 nan 0.000 0.553 208 T N 2.303 116.856 114.554 -0.000 0.000 3.010 208 T HA 0.139 4.489 4.350 0.001 0.000 0.252 208 T C 0.416 174.923 174.700 -0.322 0.000 1.047 208 T CA 0.469 62.525 62.100 -0.074 0.000 1.140 208 T CB -0.149 68.805 68.868 0.143 0.000 0.885 208 T HN 0.503 nan 8.240 nan 0.000 0.464 209 H N -0.102 118.927 119.070 -0.068 0.000 2.689 209 H HA 0.663 5.220 4.556 0.000 0.000 0.346 209 H C -1.414 173.831 175.328 -0.139 0.000 1.037 209 H CA -0.739 55.222 56.048 -0.145 0.000 1.234 209 H CB 2.095 31.776 29.762 -0.135 0.000 1.572 209 H HN 0.021 nan 8.280 nan 0.000 0.524 210 V N 5.512 125.340 119.914 -0.144 0.000 2.311 210 V HA 0.272 4.392 4.120 0.001 0.000 0.275 210 V C -0.041 176.048 176.094 -0.008 0.000 1.022 210 V CA -0.362 61.906 62.300 -0.053 0.000 0.830 210 V CB 0.176 31.963 31.823 -0.060 0.000 1.012 210 V HN 0.642 nan 8.190 nan 0.000 0.452 211 I N 7.321 127.914 120.570 0.038 0.000 2.330 211 I HA 0.672 4.842 4.170 0.001 0.000 0.289 211 I C 0.266 176.444 176.117 0.101 0.000 1.001 211 I CA -0.357 60.974 61.300 0.051 0.000 1.193 211 I CB 0.857 38.903 38.000 0.078 0.000 1.345 211 I HN 0.716 nan 8.210 nan 0.000 0.461 212 R N 3.814 124.347 120.500 0.055 0.000 2.747 212 R HA 0.629 4.970 4.340 0.001 0.000 0.272 212 R C -0.461 175.955 176.300 0.193 0.000 1.032 212 R CA -1.052 55.121 56.100 0.123 0.000 0.896 212 R CB 0.783 31.119 30.300 0.060 0.000 1.253 212 R HN 0.494 nan 8.270 nan 0.000 0.461 213 G N 0.371 109.350 108.800 0.298 0.000 2.491 213 G HA2 0.023 3.984 3.960 0.001 0.000 0.238 213 G HA3 0.023 3.984 3.960 0.001 0.000 0.238 213 G C 0.534 175.667 174.900 0.389 0.000 1.277 213 G CA 0.113 45.395 45.100 0.304 0.000 0.851 213 G HN 0.796 nan 8.290 nan 0.000 0.573 214 D N 1.413 121.994 120.400 0.302 0.000 2.351 214 D HA -0.155 4.485 4.640 0.001 0.000 0.216 214 D C 1.377 177.766 176.300 0.149 0.000 0.968 214 D CA 1.094 55.263 54.000 0.282 0.000 0.899 214 D CB -0.188 40.724 40.800 0.187 0.000 0.907 214 D HN 0.484 nan 8.370 nan 0.000 0.514 215 D N 0.351 120.791 120.400 0.066 0.000 2.263 215 D HA -0.225 4.415 4.640 0.001 0.000 0.208 215 D C 0.944 177.137 176.300 -0.178 0.000 0.971 215 D CA 1.016 54.959 54.000 -0.095 0.000 0.867 215 D CB -1.221 39.466 40.800 -0.188 0.000 0.929 215 D HN 0.413 nan 8.370 nan 0.000 0.492 216 H N -1.012 118.134 119.070 0.126 0.000 2.536 216 H HA 0.259 4.815 4.556 0.000 0.000 0.276 216 H C 1.463 176.840 175.328 0.082 0.000 1.019 216 H CA -0.251 55.885 56.048 0.146 0.000 1.159 216 H CB 0.370 30.283 29.762 0.252 0.000 1.373 216 H HN 0.025 nan 8.280 nan 0.000 0.584 217 L N -0.046 121.181 121.223 0.007 0.000 2.056 217 L HA -0.121 4.220 4.340 0.001 0.000 0.207 217 L C 2.028 178.882 176.870 -0.026 0.000 1.078 217 L CA 1.397 56.107 54.840 -0.217 0.000 0.749 217 L CB -0.451 41.482 42.059 -0.209 0.000 0.901 217 L HN 0.109 nan 8.230 nan 0.000 0.433 218 S N 0.135 115.834 115.700 -0.002 0.000 2.359 218 S HA -0.176 4.294 4.470 0.001 0.000 0.224 218 S C 1.745 176.225 174.600 -0.199 0.000 1.035 218 S CA 1.424 59.594 58.200 -0.050 0.000 1.018 218 S CB -0.575 62.603 63.200 -0.036 0.000 0.876 218 S HN 0.528 nan 8.310 nan 0.000 0.448 219 N N 1.178 119.816 118.700 -0.103 0.000 2.272 219 N HA -0.073 4.668 4.740 0.001 0.000 0.185 219 N C 1.613 177.003 175.510 -0.199 0.000 1.014 219 N CA 1.317 54.305 53.050 -0.104 0.000 0.870 219 N CB -0.736 37.844 38.487 0.154 0.000 0.975 219 N HN 0.414 nan 8.380 nan 0.000 0.433 220 T N 1.520 115.951 114.554 -0.204 0.000 2.833 220 T HA -0.120 4.230 4.350 0.001 0.000 0.269 220 T C 1.937 176.358 174.700 -0.463 0.000 1.054 220 T CA 0.454 62.370 62.100 -0.307 0.000 1.135 220 T CB -0.230 68.437 68.868 -0.335 0.000 0.869 220 T HN 0.116 nan 8.240 nan 0.000 0.466 221 L N 1.628 122.367 121.223 -0.808 0.000 2.012 221 L HA -0.050 4.290 4.340 0.001 0.000 0.210 221 L C 2.375 178.872 176.870 -0.622 0.000 1.073 221 L CA 1.732 55.968 54.840 -1.006 0.000 0.748 221 L CB -0.551 40.676 42.059 -1.387 0.000 0.891 221 L HN 0.061 nan 8.230 nan 0.000 0.431 222 R N -0.999 119.167 120.500 -0.556 0.000 2.096 222 R HA -0.139 4.201 4.340 0.001 0.000 0.235 222 R C 2.255 178.346 176.300 -0.348 0.000 1.127 222 R CA 1.705 57.472 56.100 -0.554 0.000 0.968 222 R CB -0.339 29.386 30.300 -0.960 0.000 0.861 222 R HN 0.588 nan 8.270 nan 0.000 0.440 223 Q N 0.377 120.000 119.800 -0.294 0.000 2.049 223 Q HA -0.052 4.289 4.340 0.001 0.000 0.198 223 Q C 2.229 178.229 176.000 -0.001 0.000 0.971 223 Q CA 1.000 56.702 55.803 -0.168 0.000 0.833 223 Q CB -0.033 28.669 28.738 -0.058 0.000 0.896 223 Q HN 0.321 nan 8.270 nan 0.000 0.434 224 L N 0.423 121.641 121.223 -0.009 0.000 2.079 224 L HA -0.224 4.117 4.340 0.001 0.000 0.210 224 L C 2.494 179.356 176.870 -0.012 0.000 1.081 224 L CA 1.030 55.933 54.840 0.105 0.000 0.752 224 L CB -0.584 41.469 42.059 -0.011 0.000 0.896 224 L HN 0.242 nan 8.230 nan 0.000 0.433 225 A N -0.005 122.610 122.820 -0.341 0.000 1.898 225 A HA -0.147 4.173 4.320 0.001 0.000 0.216 225 A C 2.225 179.794 177.584 -0.026 0.000 1.181 225 A CA 1.325 53.234 52.037 -0.213 0.000 0.620 225 A CB -0.586 18.326 19.000 -0.147 0.000 0.819 225 A HN 0.356 nan 8.150 nan 0.000 0.442 226 L N -2.186 118.893 121.223 -0.240 0.000 2.056 226 L HA -0.184 4.156 4.340 0.001 0.000 0.207 226 L C 2.536 179.407 176.870 0.001 0.000 1.078 226 L CA 1.255 55.909 54.840 -0.310 0.000 0.749 226 L CB -0.681 41.191 42.059 -0.312 0.000 0.901 226 L HN 0.428 nan 8.230 nan 0.000 0.433 227 Y N 0.185 120.561 120.300 0.126 0.000 2.165 227 Y HA -0.310 4.241 4.550 0.001 0.000 0.286 227 Y C 2.738 178.764 175.900 0.210 0.000 1.155 227 Y CA 1.814 60.036 58.100 0.204 0.000 1.164 227 Y CB -0.356 38.206 38.460 0.169 0.000 0.978 227 Y HN 0.236 nan 8.280 nan 0.000 0.513 228 E N -0.109 120.304 120.200 0.354 0.000 2.110 228 E HA -0.213 4.138 4.350 0.001 0.000 0.193 228 E C 2.357 179.093 176.600 0.226 0.000 0.988 228 E CA 0.904 57.484 56.400 0.298 0.000 0.804 228 E CB -0.179 29.741 29.700 0.368 0.000 0.745 228 E HN 0.424 nan 8.360 nan 0.000 0.458 229 A N 0.377 123.302 122.820 0.175 0.000 1.908 229 A HA -0.159 4.161 4.320 0.001 0.000 0.218 229 A C 1.690 179.231 177.584 -0.072 0.000 1.181 229 A CA 1.230 53.296 52.037 0.048 0.000 0.627 229 A CB -0.725 18.290 19.000 0.026 0.000 0.818 229 A HN 0.327 nan 8.150 nan 0.000 0.445 230 F N -0.231 119.817 119.950 0.163 0.000 2.811 230 F HA 0.162 4.689 4.527 0.000 0.000 0.301 230 F C 0.662 176.544 175.800 0.137 0.000 1.151 230 F CA 0.683 58.767 58.000 0.140 0.000 1.412 230 F CB -0.468 38.603 39.000 0.119 0.000 1.113 230 F HN 0.355 nan 8.300 nan 0.000 0.579 231 E N 0.025 120.391 120.200 0.277 0.000 2.476 231 E HA -0.243 4.107 4.350 0.001 0.000 0.251 231 E C 0.115 176.840 176.600 0.208 0.000 1.130 231 E CA 0.245 56.771 56.400 0.211 0.000 0.736 231 E CB -0.960 28.836 29.700 0.160 0.000 1.298 231 E HN 0.097 nan 8.360 nan 0.000 0.400 232 K N 0.577 121.135 120.400 0.263 0.000 2.270 232 K HA 0.612 4.932 4.320 0.001 0.000 0.255 232 K C -0.491 176.232 176.600 0.204 0.000 0.936 232 K CA -0.300 56.123 56.287 0.227 0.000 0.809 232 K CB 1.598 34.259 32.500 0.269 0.000 1.131 232 K HN 0.137 nan 8.250 nan 0.000 0.427 233 A N 5.915 128.795 122.820 0.099 0.000 2.488 233 A HA 0.316 4.637 4.320 0.001 0.000 0.249 233 A C -2.008 175.500 177.584 -0.127 0.000 1.083 233 A CA -0.829 51.219 52.037 0.018 0.000 0.768 233 A CB -0.421 18.579 19.000 0.001 0.000 1.017 233 A HN 0.477 nan 8.150 nan 0.000 0.496 234 P HA 0.339 nan 4.420 nan 0.000 0.274 234 P C -2.569 174.409 177.300 -0.538 0.000 1.256 234 P CA -1.153 61.466 63.100 -0.801 0.000 0.795 234 P CB -0.071 31.247 31.700 -0.638 0.000 1.038 235 P HA 0.119 nan 4.420 nan 0.000 0.277 235 P C -0.429 176.388 177.300 -0.806 0.000 1.271 235 P CA -0.298 62.419 63.100 -0.638 0.000 0.795 235 P CB 0.399 31.740 31.700 -0.598 0.000 1.101 236 V N 0.705 120.223 119.914 -0.660 0.000 2.637 236 V HA 0.085 4.205 4.120 0.001 0.000 0.296 236 V C 0.225 175.993 176.094 -0.543 0.000 1.046 236 V CA 0.420 62.430 62.300 -0.484 0.000 1.066 236 V CB -0.874 30.661 31.823 -0.481 0.000 0.968 236 V HN 0.301 nan 8.190 nan 0.000 0.483 237 F N 2.613 122.551 119.950 -0.019 0.000 2.443 237 F HA 0.726 5.253 4.527 0.000 0.000 0.335 237 F C 0.373 176.188 175.800 0.025 0.000 1.104 237 F CA -0.574 57.439 58.000 0.022 0.000 1.013 237 F CB 1.781 40.880 39.000 0.165 0.000 1.136 237 F HN 0.508 nan 8.300 nan 0.000 0.470 238 A N 2.429 125.315 122.820 0.109 0.000 2.410 238 A HA 0.569 4.889 4.320 0.001 0.000 0.289 238 A C -1.612 175.962 177.584 -0.017 0.000 1.200 238 A CA -0.585 51.493 52.037 0.068 0.000 0.751 238 A CB -0.112 18.887 19.000 -0.002 0.000 1.161 238 A HN 0.840 nan 8.150 nan 0.000 0.459 239 H N 1.364 120.545 119.070 0.185 0.000 2.741 239 H HA 0.411 4.967 4.556 0.000 0.000 0.282 239 H C 0.619 176.056 175.328 0.182 0.000 1.122 239 H CA -0.032 56.130 56.048 0.189 0.000 1.293 239 H CB 1.090 30.951 29.762 0.165 0.000 1.415 239 H HN 0.650 nan 8.280 nan 0.000 0.472 240 V N 1.283 121.359 119.914 0.269 0.000 3.133 240 V HA 0.342 4.463 4.120 0.001 0.000 0.305 240 V C 0.572 176.816 176.094 0.250 0.000 1.084 240 V CA -0.920 61.558 62.300 0.297 0.000 1.089 240 V CB 1.376 33.459 31.823 0.434 0.000 1.073 240 V HN 0.675 nan 8.190 nan 0.000 0.477 241 S N 1.506 117.350 115.700 0.241 0.000 2.559 241 S HA 0.134 4.604 4.470 0.001 0.000 0.282 241 S C 0.415 175.100 174.600 0.141 0.000 1.336 241 S CA 0.020 58.326 58.200 0.176 0.000 1.037 241 S CB 0.020 63.325 63.200 0.175 0.000 0.853 241 S HN 0.995 nan 8.310 nan 0.000 0.523 242 T N 3.032 117.649 114.554 0.104 0.000 2.817 242 T HA 0.331 4.681 4.350 0.001 0.000 0.293 242 T C 0.343 175.084 174.700 0.068 0.000 0.964 242 T CA -0.262 61.882 62.100 0.073 0.000 1.085 242 T CB 0.008 68.906 68.868 0.050 0.000 0.921 242 T HN 0.369 nan 8.240 nan 0.000 0.502 243 I N 4.686 125.288 120.570 0.055 0.000 2.322 243 I HA 0.253 4.423 4.170 0.001 0.000 0.292 243 I C 0.064 176.191 176.117 0.017 0.000 1.060 243 I CA -0.357 60.978 61.300 0.060 0.000 1.309 243 I CB 0.250 38.287 38.000 0.061 0.000 1.415 243 I HN 0.346 nan 8.210 nan 0.000 0.492 244 L N 5.422 126.662 121.223 0.028 0.000 2.344 244 L HA 0.600 4.940 4.340 0.001 0.000 0.272 244 L C 0.994 177.817 176.870 -0.078 0.000 1.035 244 L CA -0.663 54.160 54.840 -0.029 0.000 0.807 244 L CB 1.330 43.391 42.059 0.003 0.000 1.237 244 L HN 0.598 nan 8.230 nan 0.000 0.442 245 G N 0.604 109.208 108.800 -0.328 0.000 2.651 245 G HA2 0.231 4.191 3.960 0.001 0.000 0.260 245 G HA3 0.231 4.191 3.960 0.001 0.000 0.260 245 G C -1.639 173.169 174.900 -0.154 0.000 1.216 245 G CA -0.839 43.898 45.100 -0.604 0.000 0.913 245 G HN 0.514 nan 8.290 nan 0.000 0.535 246 P HA -0.104 nan 4.420 nan 0.000 0.221 246 P C 0.807 178.168 177.300 0.101 0.000 1.145 246 P CA 1.491 64.654 63.100 0.105 0.000 0.795 246 P CB 0.144 31.935 31.700 0.151 0.000 0.775 247 D N -1.615 118.871 120.400 0.144 0.000 2.348 247 D HA 0.073 4.714 4.640 0.001 0.000 0.211 247 D C 1.580 177.935 176.300 0.092 0.000 0.998 247 D CA 0.942 55.020 54.000 0.131 0.000 0.873 247 D CB -0.547 40.354 40.800 0.169 0.000 0.925 247 D HN 0.273 nan 8.370 nan 0.000 0.524 248 G N -0.185 108.656 108.800 0.067 0.000 2.339 248 G HA2 -0.245 3.715 3.960 0.001 0.000 0.209 248 G HA3 -0.245 3.715 3.960 0.001 0.000 0.209 248 G C 0.250 175.175 174.900 0.042 0.000 1.015 248 G CA -0.101 45.027 45.100 0.046 0.000 0.635 248 G HN 0.417 nan 8.290 nan 0.000 0.499 249 K N 1.268 121.715 120.400 0.078 0.000 2.219 249 K HA 0.354 4.674 4.320 0.001 0.000 0.258 249 K C 0.678 177.310 176.600 0.053 0.000 1.008 249 K CA -0.331 56.010 56.287 0.091 0.000 0.928 249 K CB 0.784 33.373 32.500 0.149 0.000 0.983 249 K HN 0.255 nan 8.250 nan 0.000 0.484 250 K N 1.873 122.298 120.400 0.042 0.000 2.527 250 K HA -0.096 4.224 4.320 0.001 0.000 0.278 250 K C -0.110 176.481 176.600 -0.015 0.000 0.981 250 K CA -0.229 56.058 56.287 0.000 0.000 1.009 250 K CB 0.275 32.776 32.500 0.001 0.000 0.895 250 K HN 0.299 nan 8.250 nan 0.000 0.493 251 L N 3.650 124.817 121.223 -0.094 0.000 2.490 251 L HA 0.026 4.366 4.340 0.001 0.000 0.274 251 L C -0.374 176.480 176.870 -0.028 0.000 1.201 251 L CA 1.217 55.970 54.840 -0.145 0.000 0.869 251 L CB 0.457 42.390 42.059 -0.211 0.000 1.123 251 L HN 0.861 nan 8.230 nan 0.000 0.484 252 S N 2.020 117.782 115.700 0.103 0.000 2.655 252 S HA 0.438 4.908 4.470 0.001 0.000 0.266 252 S C 0.582 175.176 174.600 -0.010 0.000 1.149 252 S CA -0.500 57.710 58.200 0.017 0.000 0.818 252 S CB 0.834 64.053 63.200 0.032 0.000 1.130 252 S HN 0.485 nan 8.310 nan 0.000 0.476 253 K N 1.585 121.935 120.400 -0.083 0.000 2.071 253 K HA -0.234 4.086 4.320 0.001 0.000 0.217 253 K C 2.312 178.857 176.600 -0.093 0.000 1.054 253 K CA 2.513 58.741 56.287 -0.098 0.000 0.937 253 K CB -0.623 31.816 32.500 -0.102 0.000 0.719 253 K HN 0.699 nan 8.250 nan 0.000 0.454 254 R N 0.232 120.651 120.500 -0.135 0.000 2.159 254 R HA -0.133 4.207 4.340 0.001 0.000 0.237 254 R C 1.421 177.586 176.300 -0.226 0.000 1.131 254 R CA 1.679 57.658 56.100 -0.201 0.000 0.982 254 R CB -0.677 29.457 30.300 -0.276 0.000 0.868 254 R HN 0.400 nan 8.270 nan 0.000 0.453 255 H N 0.491 119.549 119.070 -0.020 0.000 2.559 255 H HA 0.180 4.736 4.556 0.000 0.000 0.273 255 H C 1.222 176.571 175.328 0.035 0.000 1.000 255 H CA 1.087 57.145 56.048 0.017 0.000 1.195 255 H CB 0.452 30.222 29.762 0.014 0.000 1.368 255 H HN 0.603 nan 8.280 nan 0.000 0.592 256 G N -0.040 108.797 108.800 0.062 0.000 2.341 256 G HA2 -0.038 3.923 3.960 0.001 0.000 0.196 256 G HA3 -0.038 3.923 3.960 0.001 0.000 0.196 256 G C -0.834 174.029 174.900 -0.062 0.000 1.231 256 G CA -0.373 44.743 45.100 0.028 0.000 1.155 256 G HN 0.482 nan 8.290 nan 0.000 0.529 257 A N -0.427 122.312 122.820 -0.134 0.000 2.454 257 A HA 0.637 4.958 4.320 0.001 0.000 0.260 257 A C 1.197 178.550 177.584 -0.386 0.000 1.106 257 A CA 1.760 53.565 52.037 -0.386 0.000 0.780 257 A CB 0.794 19.340 19.000 -0.757 0.000 1.044 257 A HN 1.931 nan 8.150 nan 0.000 0.498 258 T N 0.860 115.249 114.554 -0.275 0.000 2.969 258 T HA 0.148 4.498 4.350 0.001 0.000 0.250 258 T C 0.879 175.655 174.700 0.126 0.000 1.021 258 T CA 0.860 62.910 62.100 -0.084 0.000 1.003 258 T CB -0.400 68.418 68.868 -0.084 0.000 1.040 258 T HN 0.950 nan 8.240 nan 0.000 0.492 259 S N 0.583 116.264 115.700 -0.031 0.000 2.616 259 S HA 0.471 4.941 4.470 0.001 0.000 0.277 259 S C 1.320 175.951 174.600 0.053 0.000 1.234 259 S CA -0.710 57.452 58.200 -0.062 0.000 1.028 259 S CB 1.557 64.626 63.200 -0.219 0.000 0.988 259 S HN 0.002 nan 8.310 nan 0.000 0.522 260 V N 1.763 121.779 119.914 0.171 0.000 2.515 260 V HA -0.119 4.001 4.120 0.001 0.000 0.250 260 V C 2.346 178.533 176.094 0.156 0.000 1.058 260 V CA 1.993 64.477 62.300 0.307 0.000 1.064 260 V CB -1.200 30.791 31.823 0.279 0.000 0.675 260 V HN 0.853 nan 8.190 nan 0.000 0.461 261 E N 0.699 120.933 120.200 0.056 0.000 2.106 261 E HA -0.095 4.255 4.350 0.001 0.000 0.192 261 E C 2.287 178.871 176.600 -0.027 0.000 0.984 261 E CA 1.363 57.755 56.400 -0.012 0.000 0.806 261 E CB -0.583 29.184 29.700 0.112 0.000 0.750 261 E HN 0.572 nan 8.360 nan 0.000 0.458 262 A N 0.147 122.923 122.820 -0.074 0.000 1.902 262 A HA -0.147 4.174 4.320 0.001 0.000 0.217 262 A C 1.856 179.363 177.584 -0.128 0.000 1.181 262 A CA 1.139 53.073 52.037 -0.171 0.000 0.623 262 A CB -0.745 18.041 19.000 -0.358 0.000 0.818 262 A HN 0.211 nan 8.150 nan 0.000 0.443 263 F N -0.292 119.673 119.950 0.026 0.000 2.146 263 F HA -0.064 4.463 4.527 0.001 0.000 0.298 263 F C 2.403 178.367 175.800 0.273 0.000 1.096 263 F CA 1.510 59.544 58.000 0.057 0.000 1.275 263 F CB -0.477 38.472 39.000 -0.086 0.000 1.008 263 F HN 0.186 nan 8.300 nan 0.000 0.480 264 R N 0.481 121.128 120.500 0.244 0.000 2.081 264 R HA -0.110 4.230 4.340 0.001 0.000 0.235 264 R C 0.621 177.024 176.300 0.173 0.000 1.131 264 R CA 1.184 57.286 56.100 0.003 0.000 0.960 264 R CB -0.379 29.441 30.300 -0.800 0.000 0.856 264 R HN 0.133 nan 8.270 nan 0.000 0.436 268 Y N 0.326 120.796 120.300 0.283 0.000 2.316 268 Y HA 0.667 5.218 4.550 0.001 0.000 0.324 268 Y C 0.989 177.073 175.900 0.308 0.000 1.267 268 Y CA -0.535 57.718 58.100 0.255 0.000 1.311 268 Y CB 1.090 39.715 38.460 0.276 0.000 1.267 268 Y HN -0.003 nan 8.280 nan 0.000 0.516 269 L N 4.015 125.382 121.223 0.239 0.000 2.343 269 L HA 0.301 4.641 4.340 0.001 0.000 0.275 269 L C -1.639 175.085 176.870 -0.244 0.000 1.056 269 L CA -1.908 52.950 54.840 0.030 0.000 0.804 269 L CB 1.336 43.379 42.059 -0.027 0.000 1.203 269 L HN 0.440 nan 8.230 nan 0.000 0.440 270 P HA -0.149 nan 4.420 nan 0.000 0.215 270 P C 0.846 177.850 177.300 -0.494 0.000 1.153 270 P CA 1.127 63.751 63.100 -0.794 0.000 0.853 270 P CB 0.331 31.464 31.700 -0.946 0.000 0.788 271 E N -0.348 119.558 120.200 -0.491 0.000 2.153 271 E HA -0.117 4.234 4.350 0.001 0.000 0.194 271 E C 2.092 178.210 176.600 -0.803 0.000 0.988 271 E CA 1.424 57.446 56.400 -0.631 0.000 0.811 271 E CB -1.048 28.193 29.700 -0.766 0.000 0.746 271 E HN 0.173 nan 8.360 nan 0.000 0.466 272 A N 0.668 123.117 122.820 -0.619 0.000 1.855 272 A HA -0.122 4.198 4.320 0.001 0.000 0.215 272 A C 2.200 179.728 177.584 -0.093 0.000 1.191 272 A CA 1.091 52.972 52.037 -0.260 0.000 0.613 272 A CB -0.759 18.239 19.000 -0.002 0.000 0.829 272 A HN 0.176 nan 8.150 nan 0.000 0.442 273 L N -0.479 120.678 121.223 -0.111 0.000 1.989 273 L HA -0.191 4.149 4.340 0.001 0.000 0.211 273 L C 2.584 179.422 176.870 -0.053 0.000 1.071 273 L CA 1.391 56.186 54.840 -0.075 0.000 0.749 273 L CB -0.677 41.331 42.059 -0.084 0.000 0.890 273 L HN 0.249 nan 8.230 nan 0.000 0.431 274 V N 0.159 119.984 119.914 -0.148 0.000 2.324 274 V HA -0.381 3.740 4.120 0.001 0.000 0.250 274 V C 2.217 178.266 176.094 -0.075 0.000 1.060 274 V CA 2.446 64.658 62.300 -0.147 0.000 1.042 274 V CB -0.839 30.851 31.823 -0.222 0.000 0.650 274 V HN 0.586 nan 8.190 nan 0.000 0.450 275 N N -1.327 117.340 118.700 -0.054 0.000 2.120 275 N HA -0.244 4.497 4.740 0.001 0.000 0.188 275 N C 2.063 177.651 175.510 0.130 0.000 1.024 275 N CA 1.541 54.627 53.050 0.061 0.000 0.852 275 N CB -0.187 38.377 38.487 0.130 0.000 1.003 275 N HN 0.558 nan 8.380 nan 0.000 0.424 276 Y N 1.514 121.828 120.300 0.023 0.000 2.200 276 Y HA -0.038 4.512 4.550 0.000 0.000 0.290 276 Y C 2.058 177.988 175.900 0.050 0.000 1.137 276 Y CA 1.184 59.303 58.100 0.032 0.000 1.163 276 Y CB -0.309 38.130 38.460 -0.035 0.000 0.988 276 Y HN 0.063 nan 8.280 nan 0.000 0.518 277 L N -0.399 120.842 121.223 0.030 0.000 2.079 277 L HA -0.281 4.060 4.340 0.001 0.000 0.210 277 L C 2.739 179.581 176.870 -0.048 0.000 1.081 277 L CA 1.202 56.017 54.840 -0.042 0.000 0.752 277 L CB -1.014 41.009 42.059 -0.061 0.000 0.896 277 L HN 0.332 nan 8.230 nan 0.000 0.433 278 A N 0.135 122.978 122.820 0.037 0.000 1.940 278 A HA -0.175 4.145 4.320 0.001 0.000 0.219 278 A C 2.159 180.017 177.584 0.458 0.000 1.176 278 A CA 1.516 53.691 52.037 0.229 0.000 0.631 278 A CB -0.670 18.400 19.000 0.117 0.000 0.814 278 A HN 0.436 nan 8.150 nan 0.000 0.446 279 L N -0.740 120.616 121.223 0.221 0.000 2.478 279 L HA 0.093 4.433 4.340 0.001 0.000 0.223 279 L C 0.185 177.105 176.870 0.082 0.000 1.140 279 L CA -0.066 54.875 54.840 0.169 0.000 0.842 279 L CB -0.309 41.730 42.059 -0.034 0.000 0.953 279 L HN 0.248 nan 8.230 nan 0.000 0.452 280 L N 1.335 122.588 121.223 0.050 0.000 2.395 280 L HA 0.273 4.613 4.340 0.001 0.000 0.268 280 L C 0.911 177.959 176.870 0.297 0.000 1.223 280 L CA 0.072 54.959 54.840 0.078 0.000 1.093 280 L CB -0.209 41.858 42.059 0.013 0.000 1.349 280 L HN 0.299 nan 8.230 nan 0.000 0.427 281 G N 1.070 110.065 108.800 0.326 0.000 2.143 281 G HA2 -0.245 3.715 3.960 0.001 0.000 0.175 281 G HA3 -0.245 3.715 3.960 0.001 0.000 0.175 281 G C -0.813 174.345 174.900 0.431 0.000 1.004 281 G CA -0.294 45.045 45.100 0.400 0.000 0.671 281 G HN 0.564 nan 8.290 nan 0.000 0.512 282 W N 0.639 122.036 121.300 0.161 0.000 3.248 282 W HA 0.635 5.295 4.660 0.001 0.000 0.311 282 W C -0.478 176.081 176.519 0.068 0.000 1.258 282 W CA -0.058 57.314 57.345 0.045 0.000 1.191 282 W CB 1.096 30.547 29.460 -0.015 0.000 1.389 282 W HN 0.827 nan 8.180 nan 0.000 0.561 283 S N 1.928 116.988 115.700 -1.067 0.000 2.549 283 S HA 0.428 4.899 4.470 0.001 0.000 0.280 283 S C -1.331 172.251 174.600 -1.696 0.000 1.109 283 S CA -0.774 56.779 58.200 -1.077 0.000 0.905 283 S CB 1.709 64.615 63.200 -0.490 0.000 1.081 283 S HN 0.734 nan 8.310 nan 0.000 0.477 284 H N 2.128 120.480 119.070 -1.197 0.000 2.683 284 H HA 0.357 4.913 4.556 0.000 0.000 0.339 284 H C -1.855 173.262 175.328 -0.352 0.000 1.081 284 H CA -0.996 54.672 56.048 -0.634 0.000 1.432 284 H CB 0.903 30.547 29.762 -0.196 0.000 1.462 284 H HN 0.346 nan 8.280 nan 0.000 0.557 285 P HA -0.211 nan 4.420 nan 0.000 0.218 285 P C 0.354 177.530 177.300 -0.207 0.000 1.154 285 P CA 1.630 64.510 63.100 -0.367 0.000 0.872 285 P CB 0.289 31.768 31.700 -0.368 0.000 0.790 286 E N -2.195 117.939 120.200 -0.109 0.000 2.444 286 E HA 0.297 4.647 4.350 0.001 0.000 0.191 286 E C 1.214 177.867 176.600 0.089 0.000 1.041 286 E CA 0.456 56.888 56.400 0.054 0.000 0.883 286 E CB -0.842 28.934 29.700 0.126 0.000 1.024 286 E HN 0.160 nan 8.360 nan 0.000 0.470 287 G N 1.523 110.355 108.800 0.053 0.000 2.153 287 G HA2 -0.404 3.556 3.960 0.001 0.000 0.252 287 G HA3 -0.404 3.556 3.960 0.001 0.000 0.252 287 G C 0.325 175.234 174.900 0.015 0.000 0.994 287 G CA 0.585 45.686 45.100 0.001 0.000 0.698 287 G HN 0.293 nan 8.290 nan 0.000 0.521 288 K N 0.421 120.848 120.400 0.045 0.000 2.368 288 K HA 0.372 4.693 4.320 0.001 0.000 0.282 288 K C 1.133 177.692 176.600 -0.067 0.000 1.035 288 K CA 0.323 56.550 56.287 -0.101 0.000 0.973 288 K CB 0.233 32.514 32.500 -0.365 0.000 0.957 288 K HN 0.422 nan 8.250 nan 0.000 0.474 289 E N 3.263 123.449 120.200 -0.023 0.000 2.399 289 E HA 0.064 4.415 4.350 0.001 0.000 0.205 289 E C -0.238 176.392 176.600 0.050 0.000 0.906 289 E CA 0.023 56.451 56.400 0.046 0.000 0.998 289 E CB 0.426 30.165 29.700 0.066 0.000 1.002 289 E HN 0.477 nan 8.360 nan 0.000 0.501 290 L N 2.869 124.068 121.223 -0.040 0.000 2.352 290 L HA 0.337 4.677 4.340 0.001 0.000 0.272 290 L C -0.787 176.054 176.870 -0.049 0.000 1.109 290 L CA -0.164 54.593 54.840 -0.139 0.000 0.952 290 L CB 0.187 41.978 42.059 -0.446 0.000 1.314 290 L HN -0.062 nan 8.230 nan 0.000 0.427 291 L N 1.998 123.263 121.223 0.070 0.000 2.346 291 L HA 0.506 4.846 4.340 0.001 0.000 0.276 291 L C 0.758 177.730 176.870 0.170 0.000 1.006 291 L CA -0.615 54.281 54.840 0.093 0.000 0.817 291 L CB 2.231 44.359 42.059 0.116 0.000 1.272 291 L HN 0.458 nan 8.230 nan 0.000 0.421 292 T N -1.188 113.454 114.554 0.146 0.000 2.754 292 T HA 0.173 4.523 4.350 0.001 0.000 0.286 292 T C 1.179 175.926 174.700 0.079 0.000 0.997 292 T CA -0.568 61.620 62.100 0.146 0.000 0.982 292 T CB 1.003 69.945 68.868 0.122 0.000 1.027 292 T HN 0.561 nan 8.240 nan 0.000 0.529 293 L N -0.139 121.108 121.223 0.040 0.000 2.093 293 L HA -0.054 4.286 4.340 0.001 0.000 0.208 293 L C 2.942 179.834 176.870 0.037 0.000 1.085 293 L CA 1.777 56.629 54.840 0.021 0.000 0.755 293 L CB -0.467 41.595 42.059 0.005 0.000 0.904 293 L HN 0.956 nan 8.230 nan 0.000 0.435 294 E N -0.018 120.207 120.200 0.041 0.000 2.077 294 E HA -0.265 4.085 4.350 0.001 0.000 0.193 294 E C 1.879 178.507 176.600 0.047 0.000 0.989 294 E CA 1.378 57.799 56.400 0.035 0.000 0.800 294 E CB 0.070 29.790 29.700 0.034 0.000 0.746 294 E HN 0.540 nan 8.360 nan 0.000 0.452 295 E N 0.385 120.625 120.200 0.067 0.000 2.110 295 E HA -0.182 4.168 4.350 0.001 0.000 0.193 295 E C 2.287 178.963 176.600 0.126 0.000 0.988 295 E CA 0.899 57.357 56.400 0.098 0.000 0.804 295 E CB -0.034 29.720 29.700 0.090 0.000 0.745 295 E HN 0.323 nan 8.360 nan 0.000 0.458 296 L N 0.687 121.957 121.223 0.078 0.000 2.017 296 L HA -0.217 4.123 4.340 0.001 0.000 0.208 296 L C 2.484 179.341 176.870 -0.020 0.000 1.073 296 L CA 1.079 55.921 54.840 0.003 0.000 0.745 296 L CB -0.386 41.620 42.059 -0.088 0.000 0.894 296 L HN 0.177 nan 8.230 nan 0.000 0.432 297 I N -0.773 119.786 120.570 -0.018 0.000 2.208 297 I HA -0.317 3.853 4.170 0.001 0.000 0.245 297 I C 2.593 178.723 176.117 0.022 0.000 1.097 297 I CA 1.372 62.652 61.300 -0.034 0.000 1.363 297 I CB -0.262 37.698 38.000 -0.067 0.000 1.051 297 I HN 0.208 nan 8.210 nan 0.000 0.413 298 S N 0.365 116.096 115.700 0.051 0.000 2.355 298 S HA -0.143 4.327 4.470 0.001 0.000 0.222 298 S C 2.104 176.776 174.600 0.120 0.000 1.031 298 S CA 1.666 59.907 58.200 0.069 0.000 0.993 298 S CB -0.276 62.970 63.200 0.076 0.000 0.859 298 S HN 0.611 nan 8.310 nan 0.000 0.453 299 S N 0.655 116.482 115.700 0.211 0.000 2.470 299 S HA 0.147 4.618 4.470 0.001 0.000 0.225 299 S C 0.460 175.294 174.600 0.389 0.000 1.006 299 S CA -0.300 58.090 58.200 0.318 0.000 0.934 299 S CB -0.542 63.012 63.200 0.589 0.000 0.778 299 S HN 0.334 nan 8.310 nan 0.000 0.517 300 F N 4.224 124.203 119.950 0.048 0.000 2.518 300 F HA 0.470 4.997 4.527 0.001 0.000 0.359 300 F C 0.291 176.098 175.800 0.012 0.000 1.118 300 F CA 0.235 58.120 58.000 -0.191 0.000 1.287 300 F CB 0.694 39.349 39.000 -0.575 0.000 1.132 300 F HN 0.325 nan 8.300 nan 0.000 0.587 301 S N 5.036 120.231 115.700 -0.842 0.000 2.567 301 S HA 0.386 4.856 4.470 0.001 0.000 0.270 301 S C -0.019 174.133 174.600 -0.748 0.000 1.152 301 S CA -0.989 56.856 58.200 -0.592 0.000 0.835 301 S CB 1.043 64.140 63.200 -0.172 0.000 1.115 301 S HN 0.700 nan 8.310 nan 0.000 0.459 302 L N 1.163 122.126 121.223 -0.435 0.000 2.217 302 L HA -0.012 4.328 4.340 0.001 0.000 0.211 302 L C 2.310 179.076 176.870 -0.173 0.000 1.107 302 L CA 1.541 56.188 54.840 -0.322 0.000 0.783 302 L CB -0.641 41.277 42.059 -0.235 0.000 0.919 302 L HN 0.910 nan 8.230 nan 0.000 0.442 303 D N 0.346 120.671 120.400 -0.124 0.000 2.310 303 D HA -0.207 4.433 4.640 0.001 0.000 0.212 303 D C 1.605 177.857 176.300 -0.080 0.000 0.965 303 D CA 0.811 54.765 54.000 -0.076 0.000 0.879 303 D CB -0.148 40.619 40.800 -0.055 0.000 0.921 303 D HN 0.343 nan 8.370 nan 0.000 0.510 304 R N 0.100 120.545 120.500 -0.093 0.000 2.426 304 R HA 0.304 4.644 4.340 0.001 0.000 0.263 304 R C 0.188 176.461 176.300 -0.045 0.000 0.961 304 R CA -0.274 55.760 56.100 -0.109 0.000 1.086 304 R CB 0.429 30.612 30.300 -0.196 0.000 1.186 304 R HN 0.187 nan 8.270 nan 0.000 0.537 305 L N 1.172 122.384 121.223 -0.018 0.000 2.319 305 L HA 0.123 4.463 4.340 0.001 0.000 0.280 305 L C 0.696 177.590 176.870 0.039 0.000 1.099 305 L CA -0.110 54.749 54.840 0.031 0.000 0.828 305 L CB 1.432 43.490 42.059 -0.002 0.000 1.150 305 L HN -0.024 nan 8.230 nan 0.000 0.442 306 S N 4.643 120.387 115.700 0.073 0.000 2.531 306 S HA 0.228 4.698 4.470 0.001 0.000 0.279 306 S C -1.210 173.437 174.600 0.078 0.000 1.305 306 S CA -1.249 56.985 58.200 0.057 0.000 1.058 306 S CB 0.893 64.131 63.200 0.064 0.000 0.899 306 S HN 0.462 nan 8.310 nan 0.000 0.493 307 P HA 0.049 nan 4.420 nan 0.000 0.231 307 P C -0.318 177.018 177.300 0.060 0.000 1.168 307 P CA 0.409 63.546 63.100 0.062 0.000 0.779 307 P CB 0.065 31.788 31.700 0.038 0.000 0.844 308 N N 0.904 119.636 118.700 0.053 0.000 2.458 308 N HA 0.298 5.038 4.740 0.001 0.000 0.271 308 N C -2.399 173.150 175.510 0.065 0.000 1.210 308 N CA -2.152 50.927 53.050 0.048 0.000 0.978 308 N CB -0.451 38.056 38.487 0.032 0.000 1.206 308 N HN 0.062 nan 8.380 nan 0.000 0.536 309 P HA 0.253 nan 4.420 nan 0.000 0.276 309 P C -1.261 176.083 177.300 0.073 0.000 1.244 309 P CA -0.481 62.660 63.100 0.069 0.000 0.801 309 P CB 0.525 32.257 31.700 0.054 0.000 1.006 310 A N 2.461 125.334 122.820 0.088 0.000 2.292 310 A HA 0.593 4.913 4.320 0.001 0.000 0.319 310 A C 0.016 177.660 177.584 0.101 0.000 1.206 310 A CA -0.832 51.260 52.037 0.093 0.000 0.835 310 A CB -0.066 19.001 19.000 0.112 0.000 1.164 310 A HN 0.449 nan 8.150 nan 0.000 0.505 311 I N 2.376 123.004 120.570 0.098 0.000 2.321 311 I HA 0.207 4.378 4.170 0.001 0.000 0.291 311 I C -0.564 175.670 176.117 0.194 0.000 0.998 311 I CA -0.332 61.039 61.300 0.119 0.000 1.227 311 I CB 1.151 39.199 38.000 0.080 0.000 1.368 311 I HN 0.695 nan 8.210 nan 0.000 0.466 312 F N 6.153 126.149 119.950 0.077 0.000 2.472 312 F HA 0.153 4.680 4.527 0.001 0.000 0.364 312 F C 0.325 176.224 175.800 0.164 0.000 1.090 312 F CA -0.015 58.088 58.000 0.172 0.000 1.188 312 F CB 0.399 39.466 39.000 0.111 0.000 1.105 312 F HN 0.389 nan 8.300 nan 0.000 0.536 313 D N 8.796 129.096 120.400 -0.167 0.000 2.460 313 D HA 0.308 4.948 4.640 0.001 0.000 0.232 313 D C -2.007 174.027 176.300 -0.444 0.000 1.079 313 D CA -2.385 51.525 54.000 -0.150 0.000 0.864 313 D CB 1.690 42.489 40.800 -0.001 0.000 1.048 313 D HN 0.220 nan 8.370 nan 0.000 0.523 314 P HA -0.150 nan 4.420 nan 0.000 0.217 314 P C 1.358 178.612 177.300 -0.078 0.000 1.150 314 P CA 0.704 63.722 63.100 -0.137 0.000 0.832 314 P CB 0.329 32.124 31.700 0.158 0.000 0.787 315 Q N 0.522 120.306 119.800 -0.027 0.000 2.050 315 Q HA -0.209 4.131 4.340 0.001 0.000 0.202 315 Q C 2.340 178.359 176.000 0.032 0.000 0.980 315 Q CA 1.983 57.800 55.803 0.023 0.000 0.840 315 Q CB -1.056 27.695 28.738 0.020 0.000 0.898 315 Q HN 0.274 nan 8.270 nan 0.000 0.424 316 K N -0.673 119.701 120.400 -0.043 0.000 2.097 316 K HA -0.111 4.209 4.320 0.001 0.000 0.205 316 K C 2.214 178.793 176.600 -0.035 0.000 1.050 316 K CA 1.410 57.717 56.287 0.033 0.000 0.938 316 K CB -0.324 32.210 32.500 0.057 0.000 0.718 316 K HN 0.379 nan 8.250 nan 0.000 0.442 317 L N 1.795 122.738 121.223 -0.467 0.000 2.046 317 L HA -0.146 4.195 4.340 0.001 0.000 0.208 317 L C 2.171 179.026 176.870 -0.026 0.000 1.077 317 L CA 1.865 56.378 54.840 -0.544 0.000 0.747 317 L CB -0.469 41.032 42.059 -0.929 0.000 0.896 317 L HN 0.054 nan 8.230 nan 0.000 0.432 318 K N -1.436 119.020 120.400 0.093 0.000 2.057 318 K HA -0.182 4.138 4.320 0.001 0.000 0.206 318 K C 0.952 177.594 176.600 0.070 0.000 1.050 318 K CA 0.696 57.070 56.287 0.145 0.000 0.935 318 K CB -0.315 32.281 32.500 0.159 0.000 0.715 318 K HN 0.378 nan 8.250 nan 0.000 0.439 322 G N -0.069 108.608 108.800 -0.206 0.000 2.440 322 G HA2 -0.274 3.686 3.960 0.001 0.000 0.218 322 G HA3 -0.274 3.686 3.960 0.001 0.000 0.218 322 G C 1.301 176.044 174.900 -0.261 0.000 1.154 322 G CA 1.410 46.367 45.100 -0.240 0.000 0.767 322 G HN 0.423 nan 8.290 nan 0.000 0.552 323 Y N 0.498 120.470 120.300 -0.547 0.000 2.097 323 Y HA -0.224 4.326 4.550 0.000 0.000 0.282 323 Y C 2.610 178.278 175.900 -0.386 0.000 1.152 323 Y CA 1.846 59.602 58.100 -0.572 0.000 1.136 323 Y CB -0.415 37.513 38.460 -0.887 0.000 0.975 323 Y HN 0.251 nan 8.280 nan 0.000 0.498 324 Y N -0.249 120.031 120.300 -0.033 0.000 2.242 324 Y HA -0.226 4.325 4.550 0.001 0.000 0.291 324 Y C 2.545 178.372 175.900 -0.122 0.000 1.137 324 Y CA 1.621 59.689 58.100 -0.054 0.000 1.181 324 Y CB -0.683 37.791 38.460 0.023 0.000 0.989 324 Y HN 0.255 nan 8.280 nan 0.000 0.527 325 L N -0.110 121.129 121.223 0.027 0.000 2.083 325 L HA -0.254 4.086 4.340 0.001 0.000 0.209 325 L C 2.215 179.066 176.870 -0.031 0.000 1.083 325 L CA 1.618 56.462 54.840 0.007 0.000 0.752 325 L CB -0.131 41.916 42.059 -0.020 0.000 0.899 325 L HN 0.128 nan 8.230 nan 0.000 0.433 326 R N -0.442 119.981 120.500 -0.127 0.000 2.100 326 R HA 0.042 4.382 4.340 0.001 0.000 0.220 326 R C 0.681 176.871 176.300 -0.182 0.000 1.091 326 R CA 0.612 56.625 56.100 -0.145 0.000 0.986 326 R CB -0.218 29.968 30.300 -0.191 0.000 0.888 326 R HN 0.492 nan 8.270 nan 0.000 0.444 330 I N 1.559 122.108 120.570 -0.034 0.000 2.335 330 I HA -0.213 3.957 4.170 0.001 0.000 0.251 330 I C 1.734 177.833 176.117 -0.030 0.000 1.129 330 I CA 1.817 63.087 61.300 -0.050 0.000 1.402 330 I CB 0.147 38.106 38.000 -0.068 0.000 1.069 330 I HN 0.388 nan 8.210 nan 0.000 0.424 331 E N 0.250 120.444 120.200 -0.011 0.000 2.077 331 E HA -0.281 4.070 4.350 0.001 0.000 0.193 331 E C 2.150 178.765 176.600 0.025 0.000 0.989 331 E CA 1.255 57.661 56.400 0.009 0.000 0.800 331 E CB -0.293 29.412 29.700 0.008 0.000 0.746 331 E HN 0.364 nan 8.360 nan 0.000 0.452 332 K N 1.259 121.672 120.400 0.021 0.000 2.031 332 K HA -0.085 4.235 4.320 0.001 0.000 0.205 332 K C 2.076 178.706 176.600 0.051 0.000 1.049 332 K CA 0.470 56.779 56.287 0.036 0.000 0.939 332 K CB -0.604 31.913 32.500 0.028 0.000 0.717 332 K HN 0.047 nan 8.250 nan 0.000 0.438 333 L N 0.605 121.845 121.223 0.027 0.000 2.127 333 L HA -0.054 4.286 4.340 0.001 0.000 0.211 333 L C 1.962 178.839 176.870 0.011 0.000 1.089 333 L CA 2.100 56.950 54.840 0.017 0.000 0.757 333 L CB -0.968 41.075 42.059 -0.025 0.000 0.899 333 L HN 0.244 nan 8.230 nan 0.000 0.434 334 A N 0.135 122.976 122.820 0.035 0.000 1.855 334 A HA -0.227 4.093 4.320 0.001 0.000 0.215 334 A C 2.158 179.896 177.584 0.256 0.000 1.191 334 A CA 1.524 53.665 52.037 0.173 0.000 0.613 334 A CB -0.756 18.354 19.000 0.184 0.000 0.829 334 A HN 0.709 nan 8.150 nan 0.000 0.442 335 E N 0.138 120.428 120.200 0.149 0.000 2.153 335 E HA -0.144 4.206 4.350 0.001 0.000 0.194 335 E C 1.832 178.532 176.600 0.165 0.000 0.988 335 E CA 1.292 57.766 56.400 0.123 0.000 0.811 335 E CB -0.500 29.249 29.700 0.081 0.000 0.746 335 E HN 0.574 nan 8.360 nan 0.000 0.466 336 L N 0.594 121.933 121.223 0.193 0.000 2.109 336 L HA -0.025 4.315 4.340 0.001 0.000 0.207 336 L C 2.697 179.811 176.870 0.406 0.000 1.086 336 L CA 0.949 55.952 54.840 0.272 0.000 0.760 336 L CB -0.389 41.817 42.059 0.245 0.000 0.910 336 L HN 0.282 nan 8.230 nan 0.000 0.437 337 A N -0.191 122.842 122.820 0.355 0.000 1.970 337 A HA -0.162 4.158 4.320 0.001 0.000 0.216 337 A C 2.357 180.348 177.584 0.679 0.000 1.170 337 A CA 1.087 53.408 52.037 0.473 0.000 0.645 337 A CB -0.284 18.810 19.000 0.155 0.000 0.816 337 A HN 0.242 nan 8.150 nan 0.000 0.447 338 K N 0.015 120.700 120.400 0.475 0.000 2.059 338 K HA -0.173 4.147 4.320 0.001 0.000 0.212 338 K C -0.962 175.749 176.600 0.185 0.000 1.050 338 K CA 2.005 58.413 56.287 0.201 0.000 0.927 338 K CB -0.882 31.554 32.500 -0.106 0.000 0.714 338 K HN 0.328 nan 8.250 nan 0.000 0.447 339 P HA -0.125 nan 4.420 nan 0.000 0.218 339 P C 0.749 177.999 177.300 -0.084 0.000 1.149 339 P CA 1.233 64.299 63.100 -0.056 0.000 0.817 339 P CB -0.042 31.537 31.700 -0.202 0.000 0.785 340 F N -2.337 117.678 119.950 0.108 0.000 2.234 340 F HA -0.074 4.453 4.527 0.001 0.000 0.299 340 F C 2.025 177.805 175.800 -0.034 0.000 1.087 340 F CA 1.074 59.092 58.000 0.029 0.000 1.340 340 F CB -1.151 37.852 39.000 0.006 0.000 1.031 340 F HN -0.157 nan 8.300 nan 0.000 0.500 341 F N 0.259 120.329 119.950 0.200 0.000 2.128 341 F HA -0.136 4.391 4.527 0.000 0.000 0.295 341 F C 2.496 178.285 175.800 -0.017 0.000 1.100 341 F CA 1.432 59.473 58.000 0.069 0.000 1.260 341 F CB -0.687 38.306 39.000 -0.013 0.000 1.009 341 F HN -0.140 nan 8.300 nan 0.000 0.476 342 E N 0.745 121.027 120.200 0.138 0.000 2.110 342 E HA -0.229 4.122 4.350 0.001 0.000 0.193 342 E C 2.012 178.620 176.600 0.013 0.000 0.988 342 E CA 1.246 57.662 56.400 0.026 0.000 0.804 342 E CB -0.112 29.573 29.700 -0.025 0.000 0.745 342 E HN 0.018 nan 8.360 nan 0.000 0.458 343 K N -0.074 120.328 120.400 0.004 0.000 2.097 343 K HA 0.056 4.377 4.320 0.001 0.000 0.205 343 K C 1.583 178.195 176.600 0.021 0.000 1.050 343 K CA 1.317 57.599 56.287 -0.010 0.000 0.938 343 K CB -0.414 32.058 32.500 -0.047 0.000 0.718 343 K HN 0.141 nan 8.250 nan 0.000 0.442 344 A N -0.886 121.960 122.820 0.043 0.000 2.238 344 A HA 0.298 4.619 4.320 0.001 0.000 0.208 344 A C 1.433 179.050 177.584 0.054 0.000 1.177 344 A CA 0.847 52.912 52.037 0.046 0.000 0.804 344 A CB -0.595 18.424 19.000 0.032 0.000 0.823 344 A HN 0.506 nan 8.150 nan 0.000 0.482 345 G N -1.086 107.742 108.800 0.046 0.000 2.195 345 G HA2 -0.190 3.770 3.960 0.001 0.000 0.246 345 G HA3 -0.190 3.770 3.960 0.001 0.000 0.246 345 G C 0.056 174.982 174.900 0.044 0.000 0.984 345 G CA 0.133 45.257 45.100 0.041 0.000 0.633 345 G HN 0.345 nan 8.290 nan 0.000 0.525 346 I N 1.871 122.479 120.570 0.064 0.000 2.379 346 I HA 0.290 4.460 4.170 0.001 0.000 0.290 346 I C 0.717 176.795 176.117 -0.065 0.000 1.063 346 I CA -0.233 61.081 61.300 0.023 0.000 1.351 346 I CB 0.840 38.892 38.000 0.086 0.000 1.410 346 I HN 0.080 nan 8.210 nan 0.000 0.505 347 K N 6.441 126.783 120.400 -0.097 0.000 2.172 347 K HA 0.520 4.840 4.320 0.001 0.000 0.276 347 K C -0.652 175.813 176.600 -0.225 0.000 1.013 347 K CA -0.653 55.557 56.287 -0.129 0.000 0.913 347 K CB 1.807 34.266 32.500 -0.069 0.000 1.055 347 K HN 0.349 nan 8.250 nan 0.000 0.461 348 I N 5.732 126.129 120.570 -0.288 0.000 2.420 348 I HA 0.138 4.309 4.170 0.001 0.000 0.282 348 I C 0.909 176.886 176.117 -0.234 0.000 1.019 348 I CA -0.246 60.834 61.300 -0.367 0.000 1.130 348 I CB 0.783 38.301 38.000 -0.803 0.000 1.262 348 I HN 0.687 nan 8.210 nan 0.000 0.454 349 I N 0.611 121.114 120.570 -0.111 0.000 3.039 349 I HA 0.295 4.465 4.170 0.001 0.000 0.270 349 I C 0.696 176.797 176.117 -0.027 0.000 1.150 349 I CA 0.249 61.509 61.300 -0.067 0.000 1.448 349 I CB 0.275 38.252 38.000 -0.039 0.000 1.197 349 I HN 0.241 nan 8.210 nan 0.000 0.450 350 D N 2.913 123.333 120.400 0.032 0.000 2.344 350 D HA 0.028 4.669 4.640 0.001 0.000 0.253 350 D C 0.967 177.347 176.300 0.133 0.000 1.255 350 D CA 0.254 54.308 54.000 0.090 0.000 0.894 350 D CB 0.966 41.843 40.800 0.129 0.000 1.067 350 D HN 0.222 nan 8.370 nan 0.000 0.492 351 E N 2.947 123.197 120.200 0.083 0.000 2.107 351 E HA -0.117 4.233 4.350 0.001 0.000 0.191 351 E C 1.354 178.040 176.600 0.143 0.000 0.982 351 E CA 0.678 57.136 56.400 0.097 0.000 0.809 351 E CB 0.320 30.046 29.700 0.043 0.000 0.756 351 E HN 0.588 nan 8.360 nan 0.000 0.459 352 E N 0.329 120.600 120.200 0.119 0.000 2.072 352 E HA -0.162 4.189 4.350 0.001 0.000 0.191 352 E C 1.995 178.662 176.600 0.112 0.000 0.985 352 E CA 0.635 57.092 56.400 0.095 0.000 0.801 352 E CB -0.446 29.302 29.700 0.080 0.000 0.750 352 E HN 0.323 nan 8.360 nan 0.000 0.452 353 Y N 0.451 120.782 120.300 0.051 0.000 2.224 353 Y HA -0.236 4.315 4.550 0.000 0.000 0.289 353 Y C 2.170 178.089 175.900 0.033 0.000 1.146 353 Y CA 1.280 59.400 58.100 0.035 0.000 1.182 353 Y CB -0.397 38.103 38.460 0.066 0.000 0.983 353 Y HN -0.011 nan 8.280 nan 0.000 0.524 354 F N 1.076 121.014 119.950 -0.020 0.000 2.102 354 F HA -0.174 4.353 4.527 0.001 0.000 0.298 354 F C 2.132 177.791 175.800 -0.236 0.000 1.105 354 F CA 2.027 59.954 58.000 -0.122 0.000 1.239 354 F CB -0.433 38.508 39.000 -0.098 0.000 0.991 354 F HN -0.073 nan 8.300 nan 0.000 0.474 355 K N 0.161 120.462 120.400 -0.166 0.000 2.057 355 K HA -0.187 4.133 4.320 0.001 0.000 0.207 355 K C 2.039 178.449 176.600 -0.316 0.000 1.049 355 K CA 1.815 57.953 56.287 -0.248 0.000 0.931 355 K CB -0.176 32.269 32.500 -0.091 0.000 0.714 355 K HN 0.253 nan 8.250 nan 0.000 0.440 356 K N 0.404 120.616 120.400 -0.313 0.000 2.057 356 K HA -0.077 4.243 4.320 0.001 0.000 0.206 356 K C 2.064 178.339 176.600 -0.542 0.000 1.050 356 K CA 1.103 57.179 56.287 -0.351 0.000 0.935 356 K CB -0.069 32.254 32.500 -0.295 0.000 0.715 356 K HN -0.074 nan 8.250 nan 0.000 0.439 357 V N 1.994 121.437 119.914 -0.786 0.000 2.343 357 V HA -0.232 3.888 4.120 0.001 0.000 0.247 357 V C 2.195 177.887 176.094 -0.668 0.000 1.051 357 V CA 1.596 63.279 62.300 -1.028 0.000 1.036 357 V CB -0.422 30.735 31.823 -1.111 0.000 0.654 357 V HN 0.272 nan 8.190 nan 0.000 0.451 358 L N -0.326 120.530 121.223 -0.612 0.000 2.093 358 L HA -0.162 4.178 4.340 0.001 0.000 0.208 358 L C 2.606 179.364 176.870 -0.186 0.000 1.085 358 L CA 1.575 56.144 54.840 -0.453 0.000 0.755 358 L CB -0.547 41.045 42.059 -0.777 0.000 0.904 358 L HN 0.339 nan 8.230 nan 0.000 0.435 359 E N 0.476 120.531 120.200 -0.240 0.000 2.160 359 E HA -0.215 4.135 4.350 0.001 0.000 0.195 359 E C 2.007 178.548 176.600 -0.098 0.000 0.991 359 E CA 1.237 57.551 56.400 -0.143 0.000 0.810 359 E CB 0.104 29.712 29.700 -0.154 0.000 0.742 359 E HN 0.268 nan 8.360 nan 0.000 0.466 360 I N 0.267 120.751 120.570 -0.142 0.000 2.260 360 I HA -0.158 4.013 4.170 0.001 0.000 0.237 360 I C 2.378 178.501 176.117 0.011 0.000 1.075 360 I CA 1.827 63.085 61.300 -0.070 0.000 1.376 360 I CB -1.794 36.142 38.000 -0.108 0.000 1.107 360 I HN 0.272 nan 8.210 nan 0.000 0.420 361 T N 0.158 114.730 114.554 0.031 0.000 3.051 361 T HA -0.138 4.213 4.350 0.001 0.000 0.269 361 T C 1.604 176.355 174.700 0.084 0.000 1.127 361 T CA 0.841 63.020 62.100 0.131 0.000 1.107 361 T CB -0.533 68.468 68.868 0.222 0.000 0.898 361 T HN 0.480 nan 8.240 nan 0.000 0.517 362 K N 1.254 121.751 120.400 0.161 0.000 2.209 362 K HA -0.097 4.223 4.320 0.001 0.000 0.204 362 K C 1.687 178.229 176.600 -0.097 0.000 1.048 362 K CA 1.196 57.517 56.287 0.055 0.000 0.940 362 K CB -0.164 32.457 32.500 0.202 0.000 0.729 362 K HN 0.225 nan 8.250 nan 0.000 0.451 363 E N 1.268 121.437 120.200 -0.051 0.000 2.347 363 E HA -0.085 4.265 4.350 0.001 0.000 0.196 363 E C 1.618 178.179 176.600 -0.065 0.000 1.008 363 E CA 0.790 57.156 56.400 -0.055 0.000 0.852 363 E CB 0.016 29.703 29.700 -0.022 0.000 0.783 363 E HN 0.489 nan 8.360 nan 0.000 0.505 364 R N 0.553 121.003 120.500 -0.084 0.000 2.290 364 R HA 0.114 4.454 4.340 0.001 0.000 0.197 364 R C 0.853 177.056 176.300 -0.162 0.000 0.913 364 R CA 0.130 56.183 56.100 -0.080 0.000 1.040 364 R CB 0.676 30.964 30.300 -0.019 0.000 0.992 364 R HN 0.015 nan 8.270 nan 0.000 0.500 365 V N -1.529 118.202 119.914 -0.305 0.000 2.581 365 V HA 0.344 4.465 4.120 0.001 0.000 0.303 365 V C 0.392 176.280 176.094 -0.343 0.000 1.041 365 V CA -0.701 61.350 62.300 -0.415 0.000 0.907 365 V CB 2.242 33.568 31.823 -0.828 0.000 0.994 365 V HN 0.022 nan 8.190 nan 0.000 0.442 366 E N 2.374 122.408 120.200 -0.277 0.000 2.201 366 E HA 0.243 4.593 4.350 0.001 0.000 0.193 366 E C -0.024 176.387 176.600 -0.316 0.000 0.957 366 E CA 0.432 56.686 56.400 -0.243 0.000 0.858 366 E CB 1.226 30.829 29.700 -0.161 0.000 0.816 366 E HN 0.664 nan 8.360 nan 0.000 0.475 367 V N 1.416 121.115 119.914 -0.358 0.000 2.815 367 V HA 0.117 4.237 4.120 0.001 0.000 0.314 367 V C 1.113 176.983 176.094 -0.374 0.000 1.064 367 V CA -0.417 61.634 62.300 -0.416 0.000 0.952 367 V CB 1.953 33.509 31.823 -0.445 0.000 1.020 367 V HN 0.150 nan 8.190 nan 0.000 0.439 368 L N 2.005 123.003 121.223 -0.376 0.000 2.191 368 L HA -0.127 4.213 4.340 0.001 0.000 0.212 368 L C 2.445 178.907 176.870 -0.679 0.000 1.103 368 L CA 1.693 56.273 54.840 -0.433 0.000 0.769 368 L CB -0.330 41.328 42.059 -0.669 0.000 0.908 368 L HN 0.948 nan 8.230 nan 0.000 0.438 369 S N -1.023 114.280 115.700 -0.661 0.000 2.481 369 S HA -0.130 4.341 4.470 0.001 0.000 0.231 369 S C 1.557 176.062 174.600 -0.158 0.000 0.996 369 S CA 0.656 58.679 58.200 -0.295 0.000 0.942 369 S CB -0.234 62.949 63.200 -0.028 0.000 0.768 369 S HN 0.510 nan 8.310 nan 0.000 0.520 370 E N 0.164 120.237 120.200 -0.211 0.000 2.285 370 E HA 0.051 4.401 4.350 0.001 0.000 0.194 370 E C 1.193 177.691 176.600 -0.171 0.000 0.997 370 E CA 0.469 56.760 56.400 -0.182 0.000 0.845 370 E CB -0.275 29.288 29.700 -0.227 0.000 0.782 370 E HN 0.514 nan 8.360 nan 0.000 0.491 371 F N 1.191 121.012 119.950 -0.215 0.000 2.065 371 F HA -0.170 4.357 4.527 0.000 0.000 0.298 371 F C -0.666 174.952 175.800 -0.304 0.000 1.112 371 F CA 1.410 59.284 58.000 -0.210 0.000 1.212 371 F CB -1.616 37.257 39.000 -0.212 0.000 0.975 371 F HN 0.083 nan 8.300 nan 0.000 0.476 372 P HA -0.177 nan 4.420 nan 0.000 0.214 372 P C 1.561 178.888 177.300 0.044 0.000 1.163 372 P CA 1.783 64.677 63.100 -0.344 0.000 0.889 372 P CB -0.040 31.476 31.700 -0.307 0.000 0.790 373 E N -0.633 119.589 120.200 0.036 0.000 2.150 373 E HA -0.194 4.156 4.350 0.001 0.000 0.193 373 E C 1.990 178.675 176.600 0.141 0.000 0.985 373 E CA 0.994 57.450 56.400 0.094 0.000 0.814 373 E CB -0.375 29.361 29.700 0.059 0.000 0.752 373 E HN 0.274 nan 8.360 nan 0.000 0.466 374 E N 0.639 120.913 120.200 0.124 0.000 2.072 374 E HA -0.021 4.330 4.350 0.001 0.000 0.190 374 E C 1.350 178.089 176.600 0.231 0.000 0.982 374 E CA 1.037 57.535 56.400 0.164 0.000 0.803 374 E CB 0.003 29.747 29.700 0.072 0.000 0.755 374 E HN -0.062 nan 8.360 nan 0.000 0.453 375 S N -0.023 115.845 115.700 0.281 0.000 2.597 375 S HA 0.182 4.652 4.470 0.001 0.000 0.224 375 S C 1.373 176.174 174.600 0.334 0.000 0.955 375 S CA -0.146 58.243 58.200 0.314 0.000 0.933 375 S CB 0.100 63.664 63.200 0.607 0.000 0.788 375 S HN 0.191 nan 8.310 nan 0.000 0.488 376 R N 1.452 122.136 120.500 0.307 0.000 2.091 376 R HA -0.154 4.186 4.340 0.001 0.000 0.238 376 R C 1.973 178.457 176.300 0.306 0.000 1.136 376 R CA 1.958 58.287 56.100 0.382 0.000 0.959 376 R CB -0.416 30.057 30.300 0.289 0.000 0.856 376 R HN 0.586 nan 8.270 nan 0.000 0.437 377 F N -1.353 118.711 119.950 0.191 0.000 2.269 377 F HA -0.057 4.470 4.527 0.001 0.000 0.301 377 F C 1.393 177.178 175.800 -0.024 0.000 1.082 377 F CA 0.590 58.608 58.000 0.031 0.000 1.360 377 F CB -0.878 38.057 39.000 -0.109 0.000 1.041 377 F HN -0.123 nan 8.300 nan 0.000 0.512 378 F N -0.347 119.321 119.950 -0.470 0.000 2.451 378 F HA -0.019 4.508 4.527 0.000 0.000 0.299 378 F C 1.334 176.881 175.800 -0.422 0.000 1.101 378 F CA 1.089 58.818 58.000 -0.452 0.000 1.436 378 F CB -0.582 37.913 39.000 -0.842 0.000 1.074 378 F HN 0.015 nan 8.300 nan 0.000 0.553 379 F N -1.194 118.948 119.950 0.319 0.000 2.532 379 F HA 0.195 4.723 4.527 0.001 0.000 0.278 379 F C 0.798 176.700 175.800 0.170 0.000 0.975 379 F CA -0.433 57.720 58.000 0.255 0.000 1.292 379 F CB -0.440 38.705 39.000 0.240 0.000 1.112 379 F HN -0.373 nan 8.300 nan 0.000 0.703 380 E N 1.307 121.723 120.200 0.360 0.000 2.216 380 E HA 0.191 4.541 4.350 0.001 0.000 0.279 380 E C -1.287 175.422 176.600 0.181 0.000 0.997 380 E CA -0.788 55.750 56.400 0.230 0.000 0.817 380 E CB 0.977 30.804 29.700 0.212 0.000 1.096 380 E HN -0.021 nan 8.360 nan 0.000 0.393 381 D N 4.307 124.782 120.400 0.125 0.000 2.458 381 D HA 0.063 4.703 4.640 0.001 0.000 0.243 381 D C -1.807 174.541 176.300 0.080 0.000 1.146 381 D CA -0.823 53.230 54.000 0.088 0.000 0.877 381 D CB 0.299 41.130 40.800 0.051 0.000 1.176 381 D HN 0.197 nan 8.370 nan 0.000 0.461 382 P HA 0.251 nan 4.420 nan 0.000 0.279 382 P C -0.986 176.321 177.300 0.010 0.000 1.282 382 P CA -0.694 62.434 63.100 0.046 0.000 0.788 382 P CB 0.507 32.220 31.700 0.021 0.000 1.139 383 A N 1.178 123.999 122.820 0.001 0.000 2.477 383 A HA 0.366 4.686 4.320 0.001 0.000 0.246 383 A C -1.811 175.748 177.584 -0.042 0.000 1.078 383 A CA -1.018 51.011 52.037 -0.014 0.000 0.770 383 A CB -1.316 17.678 19.000 -0.011 0.000 1.011 383 A HN 0.418 nan 8.150 nan 0.000 0.494 384 P HA 0.247 nan 4.420 nan 0.000 0.271 384 P C -0.600 176.649 177.300 -0.084 0.000 1.226 384 P CA 0.078 63.134 63.100 -0.073 0.000 0.765 384 P CB 0.723 32.387 31.700 -0.061 0.000 0.835 385 V N 3.057 122.901 119.914 -0.118 0.000 2.617 385 V HA 0.193 4.314 4.120 0.001 0.000 0.298 385 V C 0.732 176.741 176.094 -0.143 0.000 1.048 385 V CA -0.667 61.559 62.300 -0.124 0.000 0.964 385 V CB 1.242 32.978 31.823 -0.146 0.000 1.004 385 V HN 0.465 nan 8.190 nan 0.000 0.466 386 E N 3.301 123.431 120.200 -0.116 0.000 2.220 386 E HA 0.210 4.561 4.350 0.001 0.000 0.272 386 E C -0.451 176.059 176.600 -0.149 0.000 1.099 386 E CA 0.161 56.494 56.400 -0.113 0.000 0.907 386 E CB 0.210 29.864 29.700 -0.076 0.000 1.022 386 E HN 0.492 nan 8.360 nan 0.000 0.428 387 I N 7.788 128.242 120.570 -0.194 0.000 2.452 387 I HA 0.140 4.310 4.170 0.001 0.000 0.287 387 I C -1.763 174.280 176.117 -0.124 0.000 1.079 387 I CA -1.970 59.178 61.300 -0.253 0.000 1.387 387 I CB 0.608 38.376 38.000 -0.388 0.000 1.404 387 I HN 0.459 nan 8.210 nan 0.000 0.522 388 P HA -0.060 nan 4.420 nan 0.000 0.267 388 P C 0.584 177.887 177.300 0.005 0.000 1.201 388 P CA 0.020 63.105 63.100 -0.025 0.000 0.775 388 P CB 0.693 32.391 31.700 -0.004 0.000 0.854 389 E N 2.048 122.253 120.200 0.009 0.000 2.048 389 E HA -0.233 4.117 4.350 0.001 0.000 0.202 389 E C 0.870 177.494 176.600 0.040 0.000 1.021 389 E CA 1.461 57.873 56.400 0.020 0.000 0.825 389 E CB -0.507 29.203 29.700 0.016 0.000 0.756 389 E HN 0.572 nan 8.360 nan 0.000 0.454 393 E N 1.734 121.966 120.200 0.054 0.000 2.107 393 E HA -0.023 4.327 4.350 0.001 0.000 0.191 393 E C 1.622 178.134 176.600 -0.146 0.000 0.982 393 E CA 1.250 57.654 56.400 0.006 0.000 0.809 393 E CB 0.216 29.950 29.700 0.057 0.000 0.756 393 E HN 0.111 nan 8.360 nan 0.000 0.459 394 V N 0.065 119.831 119.914 -0.248 0.000 2.270 394 V HA -0.209 3.911 4.120 0.001 0.000 0.245 394 V C 1.915 177.922 176.094 -0.144 0.000 1.043 394 V CA 1.811 63.874 62.300 -0.394 0.000 1.014 394 V CB -0.610 30.983 31.823 -0.384 0.000 0.645 394 V HN 0.263 nan 8.190 nan 0.000 0.447 395 F N 1.458 121.415 119.950 0.012 0.000 2.171 395 F HA -0.199 4.328 4.527 0.001 0.000 0.300 395 F C 2.769 178.607 175.800 0.063 0.000 1.090 395 F CA 1.715 59.765 58.000 0.083 0.000 1.293 395 F CB -0.642 38.381 39.000 0.037 0.000 1.013 395 F HN 0.274 nan 8.300 nan 0.000 0.486 396 S N -0.700 115.115 115.700 0.193 0.000 2.402 396 S HA -0.244 4.226 4.470 0.001 0.000 0.229 396 S C 1.909 176.571 174.600 0.104 0.000 1.021 396 S CA 1.055 59.331 58.200 0.126 0.000 0.974 396 S CB -0.658 62.595 63.200 0.089 0.000 0.800 396 S HN 0.566 nan 8.310 nan 0.000 0.484 397 Q N 0.809 120.652 119.800 0.072 0.000 2.172 397 Q HA 0.105 4.446 4.340 0.001 0.000 0.200 397 Q C 2.029 178.091 176.000 0.102 0.000 0.964 397 Q CA 0.840 56.686 55.803 0.072 0.000 0.855 397 Q CB -0.318 28.447 28.738 0.046 0.000 0.918 397 Q HN 0.623 nan 8.270 nan 0.000 0.444 398 L N 0.196 121.503 121.223 0.140 0.000 2.187 398 L HA -0.238 4.103 4.340 0.001 0.000 0.213 398 L C 2.538 179.554 176.870 0.243 0.000 1.100 398 L CA 1.228 56.205 54.840 0.228 0.000 0.765 398 L CB -0.373 41.914 42.059 0.381 0.000 0.904 398 L HN 0.015 nan 8.230 nan 0.000 0.437 399 K N -0.464 120.058 120.400 0.203 0.000 2.057 399 K HA -0.224 4.096 4.320 0.001 0.000 0.207 399 K C 1.895 178.569 176.600 0.124 0.000 1.049 399 K CA 1.519 57.907 56.287 0.167 0.000 0.931 399 K CB -0.418 32.157 32.500 0.125 0.000 0.714 399 K HN 0.538 nan 8.250 nan 0.000 0.440 400 E N 0.287 120.549 120.200 0.103 0.000 2.028 400 E HA -0.174 4.176 4.350 0.001 0.000 0.190 400 E C 2.096 178.741 176.600 0.074 0.000 0.984 400 E CA 1.016 57.462 56.400 0.077 0.000 0.800 400 E CB 0.071 29.811 29.700 0.067 0.000 0.758 400 E HN 0.341 nan 8.360 nan 0.000 0.448 401 E N 0.636 120.884 120.200 0.080 0.000 2.031 401 E HA -0.168 4.182 4.350 0.001 0.000 0.193 401 E C 2.191 178.827 176.600 0.060 0.000 0.994 401 E CA 0.915 57.350 56.400 0.059 0.000 0.800 401 E CB -0.211 29.519 29.700 0.050 0.000 0.752 401 E HN 0.374 nan 8.360 nan 0.000 0.447 402 L N 1.088 122.374 121.223 0.105 0.000 2.599 402 L HA -0.012 4.329 4.340 0.001 0.000 0.230 402 L C 2.512 179.476 176.870 0.157 0.000 1.141 402 L CA 0.111 55.040 54.840 0.147 0.000 0.877 402 L CB -0.205 42.011 42.059 0.263 0.000 1.009 402 L HN 0.129 nan 8.230 nan 0.000 0.447 403 Q N 0.946 120.807 119.800 0.102 0.000 2.046 403 Q HA -0.185 4.155 4.340 0.001 0.000 0.200 403 Q C 0.996 177.030 176.000 0.056 0.000 0.975 403 Q CA 1.311 57.154 55.803 0.067 0.000 0.836 403 Q CB 0.199 28.967 28.738 0.051 0.000 0.896 403 Q HN 0.311 nan 8.270 nan 0.000 0.428 404 N N 0.324 119.056 118.700 0.052 0.000 3.271 404 N HA 0.194 4.934 4.740 0.001 0.000 0.303 404 N C -1.961 173.576 175.510 0.044 0.000 1.415 404 N CA -0.114 52.960 53.050 0.041 0.000 1.159 404 N CB 0.633 39.136 38.487 0.028 0.000 1.432 404 N HN -0.072 nan 8.380 nan 0.000 0.521 405 V N 1.229 121.187 119.914 0.072 0.000 2.851 405 V HA 0.415 4.535 4.120 0.001 0.000 0.307 405 V C 0.087 176.250 176.094 0.116 0.000 1.129 405 V CA -1.028 61.314 62.300 0.069 0.000 0.932 405 V CB 2.208 34.063 31.823 0.053 0.000 1.024 405 V HN 0.258 nan 8.190 nan 0.000 0.426 406 R N 2.706 123.246 120.500 0.067 0.000 2.489 406 R HA 0.044 4.384 4.340 0.001 0.000 0.287 406 R C -0.103 176.268 176.300 0.118 0.000 1.053 406 R CA -0.072 56.080 56.100 0.087 0.000 1.036 406 R CB 0.669 30.987 30.300 0.030 0.000 0.966 406 R HN 0.798 nan 8.270 nan 0.000 0.432 407 W N 5.675 126.947 121.300 -0.047 0.000 1.828 407 W HA 0.038 4.698 4.660 0.000 0.000 0.470 407 W C -0.518 175.972 176.519 -0.048 0.000 0.786 407 W CA 0.460 57.770 57.345 -0.059 0.000 1.816 407 W CB 0.378 29.819 29.460 -0.032 0.000 1.798 407 W HN 0.533 nan 8.180 nan 0.000 0.252 411 E N 1.054 121.156 120.200 -0.163 0.000 2.307 411 E HA 0.241 4.592 4.350 0.001 0.000 0.195 411 E C 1.989 178.429 176.600 -0.266 0.000 0.975 411 E CA 0.412 56.710 56.400 -0.171 0.000 0.878 411 E CB 0.591 30.213 29.700 -0.130 0.000 0.845 411 E HN 0.303 nan 8.360 nan 0.000 0.488 412 I N 1.050 121.378 120.570 -0.403 0.000 2.277 412 I HA -0.185 3.985 4.170 0.001 0.000 0.243 412 I C 2.332 178.044 176.117 -0.676 0.000 1.094 412 I CA 1.022 61.928 61.300 -0.657 0.000 1.393 412 I CB -0.287 37.161 38.000 -0.921 0.000 1.078 412 I HN 0.027 nan 8.210 nan 0.000 0.417 413 T N 1.964 116.308 114.554 -0.349 0.000 2.684 413 T HA -0.098 4.252 4.350 0.001 0.000 0.267 413 T C -0.473 174.201 174.700 -0.044 0.000 1.036 413 T CA 1.597 63.653 62.100 -0.072 0.000 1.148 413 T CB -1.522 67.364 68.868 0.031 0.000 0.863 413 T HN 0.299 nan 8.240 nan 0.000 0.436 414 P HA 0.008 nan 4.420 nan 0.000 0.219 414 P C 1.573 178.826 177.300 -0.078 0.000 1.146 414 P CA 0.734 63.798 63.100 -0.059 0.000 0.808 414 P CB -0.271 31.390 31.700 -0.065 0.000 0.779 415 V N -1.030 118.786 119.914 -0.163 0.000 2.427 415 V HA -0.202 3.919 4.120 0.001 0.000 0.248 415 V C 2.431 178.468 176.094 -0.096 0.000 1.051 415 V CA 1.623 63.828 62.300 -0.159 0.000 1.048 415 V CB -1.450 30.232 31.823 -0.234 0.000 0.666 415 V HN -0.092 nan 8.190 nan 0.000 0.456 416 F N 0.948 120.840 119.950 -0.096 0.000 2.102 416 F HA -0.109 4.418 4.527 0.000 0.000 0.298 416 F C 2.338 177.986 175.800 -0.253 0.000 1.105 416 F CA 1.199 59.069 58.000 -0.215 0.000 1.239 416 F CB -0.947 37.993 39.000 -0.100 0.000 0.991 416 F HN 0.089 nan 8.300 nan 0.000 0.474 417 K N -0.034 120.412 120.400 0.077 0.000 2.063 417 K HA -0.198 4.123 4.320 0.001 0.000 0.208 417 K C 2.252 178.836 176.600 -0.026 0.000 1.048 417 K CA 1.190 57.486 56.287 0.015 0.000 0.928 417 K CB -0.200 32.323 32.500 0.039 0.000 0.713 417 K HN -0.010 nan 8.250 nan 0.000 0.442 418 K N 1.253 121.639 120.400 -0.024 0.000 2.002 418 K HA -0.110 4.210 4.320 0.001 0.000 0.209 418 K C 2.031 178.620 176.600 -0.019 0.000 1.048 418 K CA 1.358 57.631 56.287 -0.022 0.000 0.930 418 K CB -0.368 32.120 32.500 -0.021 0.000 0.714 418 K HN -0.034 nan 8.250 nan 0.000 0.438 419 V N 1.930 121.826 119.914 -0.030 0.000 2.407 419 V HA -0.235 3.885 4.120 0.001 0.000 0.248 419 V C 2.543 178.614 176.094 -0.038 0.000 1.055 419 V CA 1.445 63.743 62.300 -0.004 0.000 1.049 419 V CB -0.371 31.414 31.823 -0.064 0.000 0.662 419 V HN 0.222 nan 8.190 nan 0.000 0.455 420 L N -0.395 120.720 121.223 -0.180 0.000 2.056 420 L HA -0.168 4.173 4.340 0.001 0.000 0.207 420 L C 2.587 179.415 176.870 -0.070 0.000 1.078 420 L CA 1.764 56.478 54.840 -0.209 0.000 0.749 420 L CB -0.557 41.298 42.059 -0.341 0.000 0.901 420 L HN 0.270 nan 8.230 nan 0.000 0.433 421 K N 0.023 120.394 120.400 -0.048 0.000 2.025 421 K HA -0.251 4.069 4.320 0.001 0.000 0.207 421 K C 2.211 178.803 176.600 -0.013 0.000 1.049 421 K CA 1.508 57.781 56.287 -0.022 0.000 0.933 421 K CB -0.057 32.432 32.500 -0.019 0.000 0.714 421 K HN 0.226 nan 8.250 nan 0.000 0.438 422 Q N -0.206 119.588 119.800 -0.009 0.000 2.077 422 Q HA -0.230 4.110 4.340 0.001 0.000 0.206 422 Q C 1.757 177.697 176.000 -0.099 0.000 0.989 422 Q CA 1.692 57.468 55.803 -0.044 0.000 0.853 422 Q CB -0.051 28.673 28.738 -0.023 0.000 0.907 422 Q HN 0.539 nan 8.270 nan 0.000 0.418 423 H N -1.655 117.384 119.070 -0.052 0.000 2.535 423 H HA 0.101 4.657 4.556 0.001 0.000 0.273 423 H C 0.710 176.017 175.328 -0.034 0.000 0.983 423 H CA 0.810 56.833 56.048 -0.041 0.000 1.238 423 H CB 0.531 30.264 29.762 -0.050 0.000 1.412 423 H HN 0.538 nan 8.280 nan 0.000 0.562 424 G N 1.257 110.089 108.800 0.053 0.000 2.341 424 G HA2 -0.217 3.743 3.960 0.001 0.000 0.278 424 G HA3 -0.217 3.743 3.960 0.001 0.000 0.278 424 G C -0.409 174.508 174.900 0.028 0.000 1.111 424 G CA 0.289 45.403 45.100 0.024 0.000 0.982 424 G HN 0.208 nan 8.290 nan 0.000 0.502 425 V N 1.300 121.219 119.914 0.010 0.000 2.540 425 V HA 0.506 4.626 4.120 0.001 0.000 0.302 425 V C 0.246 176.327 176.094 -0.021 0.000 1.035 425 V CA -1.524 60.774 62.300 -0.003 0.000 0.873 425 V CB 1.961 33.764 31.823 -0.033 0.000 0.992 425 V HN 0.319 nan 8.190 nan 0.000 0.428 426 K N 6.077 126.482 120.400 0.009 0.000 2.350 426 K HA 0.257 4.578 4.320 0.001 0.000 0.279 426 K C -1.466 175.152 176.600 0.031 0.000 1.027 426 K CA -1.887 54.413 56.287 0.021 0.000 0.969 426 K CB 1.188 33.710 32.500 0.036 0.000 0.954 426 K HN 0.355 nan 8.250 nan 0.000 0.474 427 P HA -0.171 nan 4.420 nan 0.000 0.219 427 P C 1.172 178.595 177.300 0.204 0.000 1.150 427 P CA 1.180 64.334 63.100 0.091 0.000 0.814 427 P CB 0.382 32.200 31.700 0.198 0.000 0.787 428 K N 0.656 121.160 120.400 0.174 0.000 2.020 428 K HA -0.212 4.108 4.320 0.001 0.000 0.212 428 K C 1.989 178.665 176.600 0.127 0.000 1.050 428 K CA 1.910 58.293 56.287 0.161 0.000 0.929 428 K CB -0.233 32.325 32.500 0.097 0.000 0.714 428 K HN -0.080 nan 8.250 nan 0.000 0.443 429 E N -0.229 120.027 120.200 0.093 0.000 2.150 429 E HA -0.135 4.215 4.350 0.001 0.000 0.193 429 E C 1.543 178.191 176.600 0.079 0.000 0.985 429 E CA 1.007 57.451 56.400 0.072 0.000 0.814 429 E CB -0.234 29.505 29.700 0.065 0.000 0.752 429 E HN 0.379 nan 8.360 nan 0.000 0.466 430 F N 0.127 120.020 119.950 -0.095 0.000 2.113 430 F HA -0.088 4.439 4.527 0.001 0.000 0.297 430 F C 0.549 176.215 175.800 -0.223 0.000 1.103 430 F CA 0.835 58.703 58.000 -0.220 0.000 1.248 430 F CB -0.219 38.472 39.000 -0.515 0.000 0.999 430 F HN -0.121 nan 8.300 nan 0.000 0.475 434 L N 2.433 123.527 121.223 -0.215 0.000 2.083 434 L HA 0.242 4.582 4.340 0.001 0.000 0.209 434 L C 2.383 179.144 176.870 -0.180 0.000 1.083 434 L CA 2.077 56.783 54.840 -0.223 0.000 0.752 434 L CB -0.453 41.322 42.059 -0.475 0.000 0.899 434 L HN 0.203 nan 8.230 nan 0.000 0.433 435 R N -0.615 119.790 120.500 -0.160 0.000 2.073 435 R HA -0.153 4.187 4.340 0.001 0.000 0.234 435 R C 2.397 178.567 176.300 -0.216 0.000 1.134 435 R CA 1.646 57.640 56.100 -0.176 0.000 0.952 435 R CB -0.185 30.030 30.300 -0.142 0.000 0.850 435 R HN 0.341 nan 8.270 nan 0.000 0.433 436 R N -0.202 120.184 120.500 -0.189 0.000 2.120 436 R HA -0.080 4.261 4.340 0.001 0.000 0.234 436 R C 2.238 178.417 176.300 -0.202 0.000 1.123 436 R CA 1.403 57.393 56.100 -0.184 0.000 0.975 436 R CB -0.207 29.996 30.300 -0.162 0.000 0.866 436 R HN 0.147 nan 8.270 nan 0.000 0.446 437 V N 1.264 121.035 119.914 -0.237 0.000 2.379 437 V HA -0.175 3.945 4.120 0.001 0.000 0.245 437 V C 2.186 178.160 176.094 -0.200 0.000 1.044 437 V CA 1.564 63.716 62.300 -0.247 0.000 1.036 437 V CB -0.284 31.342 31.823 -0.328 0.000 0.664 437 V HN 0.245 nan 8.190 nan 0.000 0.453 438 L N -0.847 120.255 121.223 -0.203 0.000 2.168 438 L HA -0.018 4.322 4.340 0.001 0.000 0.203 438 L C 2.389 179.119 176.870 -0.234 0.000 1.078 438 L CA 1.508 56.248 54.840 -0.167 0.000 0.780 438 L CB -0.608 41.384 42.059 -0.113 0.000 0.939 438 L HN 0.298 nan 8.230 nan 0.000 0.451 439 T N -1.278 113.033 114.554 -0.404 0.000 3.034 439 T HA 0.162 4.513 4.350 0.001 0.000 0.248 439 T C 1.291 175.818 174.700 -0.289 0.000 1.040 439 T CA 0.700 62.400 62.100 -0.668 0.000 1.107 439 T CB 0.405 68.679 68.868 -0.990 0.000 0.932 439 T HN 0.469 nan 8.240 nan 0.000 0.474 440 G N 2.328 111.005 108.800 -0.205 0.000 2.176 440 G HA2 -0.252 3.708 3.960 0.001 0.000 0.252 440 G HA3 -0.252 3.708 3.960 0.001 0.000 0.252 440 G C 0.036 174.879 174.900 -0.096 0.000 1.024 440 G CA 0.071 45.102 45.100 -0.115 0.000 0.755 440 G HN 0.512 nan 8.290 nan 0.000 0.507 441 R N -1.452 118.966 120.500 -0.136 0.000 2.799 441 R HA 0.501 4.841 4.340 0.001 0.000 0.270 441 R C 0.509 176.748 176.300 -0.101 0.000 1.010 441 R CA -0.945 55.099 56.100 -0.094 0.000 0.916 441 R CB 0.840 31.093 30.300 -0.078 0.000 1.228 441 R HN 0.006 nan 8.270 nan 0.000 0.469 442 E N 0.725 120.887 120.200 -0.063 0.000 2.216 442 E HA 0.020 4.370 4.350 0.001 0.000 0.192 442 E C 0.058 176.627 176.600 -0.050 0.000 0.988 442 E CA 1.162 57.530 56.400 -0.053 0.000 0.834 442 E CB 0.415 30.096 29.700 -0.032 0.000 0.772 442 E HN 0.302 nan 8.360 nan 0.000 0.479 443 E N -0.974 119.199 120.200 -0.045 0.000 2.433 443 E HA 0.642 4.993 4.350 0.001 0.000 0.273 443 E C -0.188 176.396 176.600 -0.026 0.000 0.950 443 E CA -0.572 55.810 56.400 -0.030 0.000 0.796 443 E CB 2.339 32.036 29.700 -0.005 0.000 1.330 443 E HN 0.078 nan 8.360 nan 0.000 0.455 444 G N 0.644 109.446 108.800 0.003 0.000 2.336 444 G HA2 0.316 4.276 3.960 0.001 0.000 0.286 444 G HA3 0.316 4.276 3.960 0.001 0.000 0.286 444 G C -2.957 172.000 174.900 0.094 0.000 1.269 444 G CA -0.734 44.407 45.100 0.067 0.000 0.873 444 G HN 0.352 nan 8.290 nan 0.000 0.494 445 P HA 0.314 nan 4.420 nan 0.000 0.273 445 P C -0.259 177.106 177.300 0.108 0.000 1.250 445 P CA -0.253 62.947 63.100 0.167 0.000 0.793 445 P CB 0.349 32.221 31.700 0.286 0.000 1.011 446 E N 0.229 120.476 120.200 0.079 0.000 2.529 446 E HA -0.074 4.277 4.350 0.001 0.000 0.259 446 E C 0.867 177.502 176.600 0.057 0.000 0.966 446 E CA -0.232 56.192 56.400 0.040 0.000 0.937 446 E CB 0.142 29.854 29.700 0.021 0.000 0.923 446 E HN 0.301 nan 8.360 nan 0.000 0.468 447 L N 4.754 125.988 121.223 0.018 0.000 2.191 447 L HA -0.185 4.155 4.340 0.001 0.000 0.212 447 L C 1.856 178.773 176.870 0.078 0.000 1.103 447 L CA 1.257 56.124 54.840 0.045 0.000 0.769 447 L CB -0.053 42.014 42.059 0.013 0.000 0.908 447 L HN 0.498 nan 8.230 nan 0.000 0.438 448 V N -0.117 119.816 119.914 0.032 0.000 2.469 448 V HA -0.283 3.837 4.120 0.001 0.000 0.251 448 V C 2.187 178.314 176.094 0.055 0.000 1.064 448 V CA 1.809 64.125 62.300 0.027 0.000 1.066 448 V CB -0.743 31.074 31.823 -0.010 0.000 0.667 448 V HN 0.545 nan 8.190 nan 0.000 0.461 449 N N -0.134 118.619 118.700 0.089 0.000 2.290 449 N HA 0.086 4.826 4.740 0.001 0.000 0.179 449 N C 1.799 177.450 175.510 0.235 0.000 1.016 449 N CA 1.116 54.243 53.050 0.127 0.000 0.871 449 N CB -0.090 38.470 38.487 0.123 0.000 0.987 449 N HN 0.407 nan 8.380 nan 0.000 0.431 450 I N 1.270 122.015 120.570 0.291 0.000 2.142 450 I HA -0.203 3.967 4.170 0.001 0.000 0.240 450 I C 2.086 178.430 176.117 0.379 0.000 1.078 450 I CA 0.936 62.478 61.300 0.402 0.000 1.343 450 I CB -0.259 37.879 38.000 0.230 0.000 1.046 450 I HN -0.002 nan 8.210 nan 0.000 0.405 451 I N 0.890 121.637 120.570 0.296 0.000 2.099 451 I HA -0.223 3.947 4.170 0.001 0.000 0.239 451 I C -0.341 175.971 176.117 0.324 0.000 1.066 451 I CA 1.872 63.370 61.300 0.329 0.000 1.324 451 I CB -1.781 36.340 38.000 0.201 0.000 1.037 451 I HN 0.165 nan 8.210 nan 0.000 0.401 452 P HA -0.168 nan 4.420 nan 0.000 0.217 452 P C 1.782 179.297 177.300 0.358 0.000 1.150 452 P CA 1.090 64.270 63.100 0.133 0.000 0.832 452 P CB 0.019 31.726 31.700 0.011 0.000 0.787 453 L N -1.344 120.079 121.223 0.334 0.000 2.017 453 L HA -0.042 4.298 4.340 0.001 0.000 0.208 453 L C 0.669 177.840 176.870 0.502 0.000 1.073 453 L CA 1.487 56.534 54.840 0.345 0.000 0.745 453 L CB -1.359 40.843 42.059 0.239 0.000 0.894 453 L HN -0.168 nan 8.230 nan 0.000 0.432 454 L N 0.074 121.620 121.223 0.538 0.000 2.461 454 L HA 0.298 4.638 4.340 0.001 0.000 0.272 454 L C 1.229 178.318 176.870 0.364 0.000 1.197 454 L CA 0.744 55.860 54.840 0.460 0.000 0.836 454 L CB -0.562 41.765 42.059 0.445 0.000 1.105 454 L HN 0.200 nan 8.230 nan 0.000 0.477 455 G N 1.184 110.063 108.800 0.132 0.000 2.684 455 G HA2 0.117 4.077 3.960 0.001 0.000 0.255 455 G HA3 0.117 4.077 3.960 0.001 0.000 0.255 455 G C 0.797 175.405 174.900 -0.487 0.000 1.219 455 G CA -0.241 44.782 45.100 -0.128 0.000 0.901 455 G HN 0.780 nan 8.290 nan 0.000 0.548 456 K N -0.622 119.168 120.400 -1.018 0.000 2.025 456 K HA -0.117 4.203 4.320 0.001 0.000 0.207 456 K C 2.188 178.480 176.600 -0.513 0.000 1.049 456 K CA 1.741 57.171 56.287 -1.429 0.000 0.933 456 K CB -0.212 31.621 32.500 -1.111 0.000 0.714 456 K HN 0.674 nan 8.250 nan 0.000 0.438 457 E N 0.289 120.310 120.200 -0.299 0.000 2.085 457 E HA -0.202 4.148 4.350 0.001 0.000 0.194 457 E C 1.858 178.429 176.600 -0.049 0.000 0.994 457 E CA 1.362 57.687 56.400 -0.126 0.000 0.801 457 E CB 0.053 29.693 29.700 -0.100 0.000 0.743 457 E HN 0.291 nan 8.360 nan 0.000 0.453 458 I N 0.490 121.041 120.570 -0.032 0.000 2.315 458 I HA -0.188 3.982 4.170 0.001 0.000 0.248 458 I C 2.259 178.449 176.117 0.122 0.000 1.117 458 I CA 0.955 62.283 61.300 0.047 0.000 1.404 458 I CB -1.446 36.599 38.000 0.075 0.000 1.071 458 I HN 0.177 nan 8.210 nan 0.000 0.419 459 F N 1.938 121.905 119.950 0.029 0.000 2.084 459 F HA -0.167 4.360 4.527 0.000 0.000 0.296 459 F C 2.377 178.256 175.800 0.131 0.000 1.111 459 F CA 1.703 59.800 58.000 0.163 0.000 1.224 459 F CB -0.251 38.974 39.000 0.375 0.000 0.991 459 F HN -0.117 nan 8.300 nan 0.000 0.471 460 L N -0.037 121.333 121.223 0.245 0.000 2.093 460 L HA -0.163 4.177 4.340 0.001 0.000 0.208 460 L C 2.654 179.543 176.870 0.032 0.000 1.085 460 L CA 1.422 56.350 54.840 0.147 0.000 0.755 460 L CB -0.766 41.386 42.059 0.154 0.000 0.904 460 L HN 0.122 nan 8.230 nan 0.000 0.435 461 R N 0.658 121.167 120.500 0.015 0.000 2.081 461 R HA -0.154 4.186 4.340 0.001 0.000 0.235 461 R C 2.422 178.705 176.300 -0.028 0.000 1.131 461 R CA 1.395 57.493 56.100 -0.004 0.000 0.960 461 R CB -0.042 30.258 30.300 -0.001 0.000 0.856 461 R HN 0.276 nan 8.270 nan 0.000 0.436 462 R N -0.091 120.377 120.500 -0.053 0.000 2.148 462 R HA -0.022 4.318 4.340 0.001 0.000 0.227 462 R C 2.223 178.442 176.300 -0.135 0.000 1.103 462 R CA 1.185 57.230 56.100 -0.091 0.000 0.983 462 R CB -0.138 30.103 30.300 -0.099 0.000 0.874 462 R HN 0.310 nan 8.270 nan 0.000 0.451 463 I N 1.169 121.653 120.570 -0.145 0.000 2.162 463 I HA -0.273 3.898 4.170 0.001 0.000 0.238 463 I C 2.573 178.648 176.117 -0.069 0.000 1.076 463 I CA 1.529 62.762 61.300 -0.112 0.000 1.353 463 I CB -0.427 37.570 38.000 -0.005 0.000 1.063 463 I HN 0.244 nan 8.210 nan 0.000 0.408 464 E N 1.503 121.688 120.200 -0.025 0.000 2.110 464 E HA -0.257 4.093 4.350 0.001 0.000 0.193 464 E C 2.251 178.830 176.600 -0.034 0.000 0.988 464 E CA 1.079 57.471 56.400 -0.013 0.000 0.804 464 E CB -0.361 29.344 29.700 0.008 0.000 0.745 464 E HN 0.435 nan 8.360 nan 0.000 0.458 465 R N 0.590 121.064 120.500 -0.044 0.000 2.092 465 R HA -0.027 4.313 4.340 0.001 0.000 0.231 465 R C 2.612 178.871 176.300 -0.068 0.000 1.119 465 R CA 1.233 57.305 56.100 -0.046 0.000 0.970 465 R CB -0.265 30.012 30.300 -0.038 0.000 0.864 465 R HN 0.138 nan 8.270 nan 0.000 0.440 466 S N 0.021 115.659 115.700 -0.104 0.000 2.368 466 S HA -0.061 4.410 4.470 0.001 0.000 0.225 466 S C 0.316 174.837 174.600 -0.131 0.000 1.030 466 S CA 0.893 59.010 58.200 -0.139 0.000 0.999 466 S CB 0.125 63.195 63.200 -0.217 0.000 0.844 466 S HN 0.087 nan 8.310 nan 0.000 0.459 467 L N -0.678 120.472 121.223 -0.121 0.000 2.611 467 L HA 0.686 5.027 4.340 0.001 0.000 0.260 467 L C -0.479 176.359 176.870 -0.054 0.000 0.924 467 L CA 0.521 55.307 54.840 -0.090 0.000 0.901 467 L CB 1.220 43.211 42.059 -0.113 0.000 1.369 467 L HN 0.149 nan 8.230 nan 0.000 0.415 468 G N 0.000 108.780 108.800 -0.033 0.000 5.446 468 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 468 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 468 G CA 0.000 45.092 45.100 -0.013 0.000 0.502 468 G HN 0.000 nan 8.290 nan 0.000 0.925