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 1fc4_1_B DATA FIRST_RESID -2 DATA SEQUENCE GSHXRGEFYQ QLTNDLETAR AEGLFKEERI ITSAQQADIT VADGSHVINF DATA SEQUENCE CANNYLGLAN HPDLIAAAKA GXDSHGFGXA SVRFICGTQD SHKELEQKLA DATA SEQUENCE AFLGXEDAIL YSSCFDANGG LFETLLGAED AIISDALNHA SIIDGVRLCK DATA SEQUENCE AKRYRYANND XQELEARLKE AREAGARHVL IATDGVFSXD GVIANLKGVC DATA SEQUENCE DLADKYDALV XVDDSHAVGF VGENGRGSHE YCDVXGRVDI ITGTLGKALG DATA SEQUENCE GASGGYTAAR KEVVEWLRQR SRPYLFSNSL APAIVAASIK VLEXVEAGSE DATA SEQUENCE LRDRLWANAR QFREQXSAAG FTLAGADHAI IPVXLGDAVV AQKFARELQK DATA SEQUENCE EGIYVTGFFY PVVPKGQARI RTQXSAAHTP EQITRAVEAF TRIGKQLGVI DATA SEQUENCE A 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 -2 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 -2 G C 0.000 174.831 174.900 -0.114 0.000 0.946 -2 G CA 0.000 45.012 45.100 -0.147 0.000 0.502 -1 S N -0.808 114.798 115.700 -0.156 0.000 2.937 -1 S HA 0.319 4.788 4.470 -0.001 0.000 0.252 -1 S C 0.374 175.016 174.600 0.071 0.000 1.022 -1 S CA -0.333 57.852 58.200 -0.025 0.000 1.079 -1 S CB -0.169 63.040 63.200 0.014 0.000 1.035 -1 S HN 0.645 nan 8.310 nan 0.000 0.594 3 G N 1.297 110.251 108.800 0.257 0.000 2.418 3 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.217 3 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.217 3 G C 1.108 176.147 174.900 0.231 0.000 1.158 3 G CA 1.293 46.554 45.100 0.268 0.000 0.771 3 G HN 0.357 nan 8.290 nan 0.000 0.545 4 E N -0.464 119.843 120.200 0.179 0.000 2.106 4 E HA -0.126 4.223 4.350 -0.001 0.000 0.192 4 E C 2.027 178.697 176.600 0.117 0.000 0.984 4 E CA 0.581 57.056 56.400 0.124 0.000 0.806 4 E CB -0.287 29.472 29.700 0.098 0.000 0.750 4 E HN 0.415 nan 8.360 nan 0.000 0.458 5 F N 0.369 120.296 119.950 -0.039 0.000 2.065 5 F HA -0.294 4.232 4.527 -0.001 0.000 0.298 5 F C 1.760 177.459 175.800 -0.168 0.000 1.112 5 F CA 1.933 59.839 58.000 -0.157 0.000 1.212 5 F CB -0.428 38.388 39.000 -0.308 0.000 0.975 5 F HN 0.075 nan 8.300 nan 0.000 0.476 6 Y N -0.221 120.132 120.300 0.088 0.000 2.242 6 Y HA -0.233 4.316 4.550 -0.001 0.000 0.291 6 Y C 2.627 178.484 175.900 -0.072 0.000 1.137 6 Y CA 1.269 59.343 58.100 -0.043 0.000 1.181 6 Y CB -0.689 37.833 38.460 0.102 0.000 0.989 6 Y HN 0.193 nan 8.280 nan 0.000 0.527 7 Q N 0.776 120.649 119.800 0.121 0.000 2.079 7 Q HA -0.205 4.134 4.340 -0.001 0.000 0.200 7 Q C 1.928 177.927 176.000 -0.001 0.000 0.974 7 Q CA 1.831 57.671 55.803 0.061 0.000 0.840 7 Q CB -0.253 28.523 28.738 0.062 0.000 0.898 7 Q HN 0.493 nan 8.270 nan 0.000 0.430 8 Q N -0.401 119.373 119.800 -0.043 0.000 2.124 8 Q HA -0.119 4.220 4.340 -0.001 0.000 0.202 8 Q C 2.168 178.106 176.000 -0.102 0.000 0.977 8 Q CA 1.315 57.077 55.803 -0.068 0.000 0.850 8 Q CB -0.111 28.581 28.738 -0.076 0.000 0.901 8 Q HN 0.398 nan 8.270 nan 0.000 0.429 9 L N -0.033 121.077 121.223 -0.187 0.000 2.046 9 L HA -0.181 4.158 4.340 -0.001 0.000 0.208 9 L C 2.426 179.266 176.870 -0.049 0.000 1.077 9 L CA 1.231 55.968 54.840 -0.171 0.000 0.747 9 L CB -0.549 41.344 42.059 -0.275 0.000 0.896 9 L HN 0.226 nan 8.230 nan 0.000 0.432 10 T N -0.502 114.041 114.554 -0.017 0.000 2.746 10 T HA -0.131 4.218 4.350 -0.001 0.000 0.267 10 T C 1.682 176.389 174.700 0.012 0.000 1.039 10 T CA 1.353 63.462 62.100 0.016 0.000 1.142 10 T CB -0.211 68.672 68.868 0.026 0.000 0.866 10 T HN 0.295 nan 8.240 nan 0.000 0.444 11 N N 1.432 120.133 118.700 0.000 0.000 2.142 11 N HA -0.080 4.660 4.740 -0.001 0.000 0.186 11 N C 1.586 177.102 175.510 0.011 0.000 1.023 11 N CA 1.003 54.055 53.050 0.002 0.000 0.852 11 N CB -0.470 38.015 38.487 -0.003 0.000 0.998 11 N HN 0.362 nan 8.380 nan 0.000 0.424 12 D N 0.544 120.948 120.400 0.006 0.000 2.117 12 D HA -0.099 4.540 4.640 -0.001 0.000 0.197 12 D C 1.950 178.289 176.300 0.065 0.000 0.987 12 D CA 0.452 54.467 54.000 0.025 0.000 0.829 12 D CB -0.144 40.660 40.800 0.005 0.000 0.961 12 D HN 0.074 nan 8.370 nan 0.000 0.460 13 L N 1.272 122.542 121.223 0.078 0.000 2.017 13 L HA -0.130 4.210 4.340 -0.001 0.000 0.208 13 L C 2.253 179.197 176.870 0.123 0.000 1.073 13 L CA 1.538 56.474 54.840 0.159 0.000 0.745 13 L CB -1.178 40.980 42.059 0.164 0.000 0.894 13 L HN 0.095 nan 8.230 nan 0.000 0.432 14 E N -1.251 118.976 120.200 0.046 0.000 2.077 14 E HA -0.188 4.162 4.350 -0.001 0.000 0.193 14 E C 1.980 178.588 176.600 0.014 0.000 0.989 14 E CA 1.704 58.105 56.400 0.003 0.000 0.800 14 E CB -0.022 29.672 29.700 -0.010 0.000 0.746 14 E HN 0.448 nan 8.360 nan 0.000 0.452 15 T N 0.596 115.168 114.554 0.030 0.000 2.821 15 T HA -0.120 4.229 4.350 -0.001 0.000 0.267 15 T C 1.912 176.641 174.700 0.047 0.000 1.046 15 T CA 1.050 63.165 62.100 0.026 0.000 1.139 15 T CB -0.152 68.730 68.868 0.024 0.000 0.871 15 T HN 0.243 nan 8.240 nan 0.000 0.454 16 A N 2.574 125.451 122.820 0.095 0.000 1.877 16 A HA -0.163 4.156 4.320 -0.001 0.000 0.216 16 A C 2.325 179.990 177.584 0.136 0.000 1.186 16 A CA 1.598 53.720 52.037 0.142 0.000 0.620 16 A CB -0.471 18.661 19.000 0.220 0.000 0.822 16 A HN 0.623 nan 8.150 nan 0.000 0.443 17 R N -0.189 120.389 120.500 0.129 0.000 2.115 17 R HA 0.122 4.462 4.340 -0.001 0.000 0.230 17 R C 2.208 178.497 176.300 -0.018 0.000 1.111 17 R CA 1.120 57.245 56.100 0.041 0.000 0.976 17 R CB -0.632 29.576 30.300 -0.154 0.000 0.870 17 R HN 0.370 nan 8.270 nan 0.000 0.445 18 A N 2.139 124.948 122.820 -0.017 0.000 1.972 18 A HA -0.158 4.162 4.320 -0.001 0.000 0.219 18 A C 1.529 179.095 177.584 -0.030 0.000 1.169 18 A CA 1.280 53.300 52.037 -0.028 0.000 0.635 18 A CB -0.207 18.780 19.000 -0.021 0.000 0.810 18 A HN 0.437 nan 8.150 nan 0.000 0.446 19 E N -1.192 118.994 120.200 -0.023 0.000 2.444 19 E HA 0.317 4.666 4.350 -0.001 0.000 0.191 19 E C 0.885 177.433 176.600 -0.086 0.000 1.041 19 E CA 0.144 56.520 56.400 -0.039 0.000 0.883 19 E CB -0.089 29.597 29.700 -0.022 0.000 1.024 19 E HN 0.680 nan 8.360 nan 0.000 0.470 20 G N 1.724 110.458 108.800 -0.109 0.000 2.179 20 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.257 20 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.257 20 G C 0.616 175.217 174.900 -0.498 0.000 1.010 20 G CA 0.235 45.196 45.100 -0.232 0.000 0.736 20 G HN 0.352 nan 8.290 nan 0.000 0.513 21 L N -1.026 120.049 121.223 -0.245 0.000 2.769 21 L HA 0.450 4.789 4.340 -0.001 0.000 0.240 21 L C 0.706 177.695 176.870 0.198 0.000 1.163 21 L CA -0.505 54.246 54.840 -0.148 0.000 0.962 21 L CB 0.241 42.382 42.059 0.137 0.000 1.258 21 L HN 0.244 nan 8.230 nan 0.000 0.513 22 F N 2.193 122.146 119.950 0.005 0.000 2.404 22 F HA 0.299 4.825 4.527 -0.001 0.000 0.358 22 F C 0.523 176.434 175.800 0.184 0.000 1.120 22 F CA -0.703 57.358 58.000 0.101 0.000 1.144 22 F CB 0.536 39.556 39.000 0.033 0.000 1.133 22 F HN -0.157 nan 8.300 nan 0.000 0.495 23 K N 5.757 126.123 120.400 -0.056 0.000 2.276 23 K HA 0.193 4.513 4.320 -0.001 0.000 0.285 23 K C -0.426 176.166 176.600 -0.014 0.000 1.062 23 K CA -0.487 55.824 56.287 0.039 0.000 0.918 23 K CB 0.735 33.165 32.500 -0.118 0.000 1.055 23 K HN 0.531 nan 8.250 nan 0.000 0.477 24 E N 2.890 123.202 120.200 0.187 0.000 2.216 24 E HA 0.129 4.478 4.350 -0.001 0.000 0.279 24 E C -0.535 176.121 176.600 0.093 0.000 0.997 24 E CA -0.387 56.140 56.400 0.211 0.000 0.817 24 E CB 1.610 31.445 29.700 0.224 0.000 1.096 24 E HN 0.477 nan 8.360 nan 0.000 0.393 25 E N 2.081 122.329 120.200 0.079 0.000 2.249 25 E HA 0.304 4.654 4.350 -0.001 0.000 0.280 25 E C -0.315 176.333 176.600 0.079 0.000 1.016 25 E CA -0.420 56.013 56.400 0.056 0.000 0.830 25 E CB 1.432 31.152 29.700 0.034 0.000 1.081 25 E HN 0.047 nan 8.360 nan 0.000 0.395 26 R N 2.349 122.912 120.500 0.106 0.000 2.295 26 R HA 0.288 4.628 4.340 -0.001 0.000 0.324 26 R C -0.573 175.796 176.300 0.115 0.000 0.968 26 R CA -0.932 55.248 56.100 0.134 0.000 0.837 26 R CB 0.712 31.143 30.300 0.219 0.000 1.133 26 R HN 0.347 nan 8.270 nan 0.000 0.450 27 I N 4.581 125.193 120.570 0.070 0.000 2.533 27 I HA 0.063 4.232 4.170 -0.001 0.000 0.284 27 I C 0.380 176.502 176.117 0.008 0.000 1.109 27 I CA 0.217 61.536 61.300 0.032 0.000 1.412 27 I CB 0.357 38.369 38.000 0.019 0.000 1.396 27 I HN 0.435 nan 8.210 nan 0.000 0.543 28 I N 5.737 126.289 120.570 -0.029 0.000 2.377 28 I HA 0.229 4.398 4.170 -0.001 0.000 0.293 28 I C 1.021 177.095 176.117 -0.071 0.000 0.987 28 I CA -0.234 61.017 61.300 -0.081 0.000 1.185 28 I CB 1.638 39.556 38.000 -0.137 0.000 1.341 28 I HN 0.709 nan 8.210 nan 0.000 0.455 29 T N -0.346 114.159 114.554 -0.082 0.000 3.040 29 T HA 0.133 4.482 4.350 -0.001 0.000 0.250 29 T C 0.675 175.329 174.700 -0.076 0.000 1.058 29 T CA -0.165 61.894 62.100 -0.070 0.000 0.988 29 T CB 0.013 68.842 68.868 -0.066 0.000 0.993 29 T HN 0.585 nan 8.240 nan 0.000 0.519 30 S N 0.853 116.494 115.700 -0.097 0.000 2.767 30 S HA 0.850 5.320 4.470 -0.001 0.000 0.300 30 S C 0.295 174.845 174.600 -0.084 0.000 1.123 30 S CA -0.706 57.442 58.200 -0.088 0.000 0.992 30 S CB 1.152 64.291 63.200 -0.101 0.000 1.138 30 S HN 0.563 nan 8.310 nan 0.000 0.550 31 A N 0.416 123.192 122.820 -0.073 0.000 2.346 31 A HA 0.467 4.787 4.320 -0.001 0.000 0.252 31 A C 0.272 177.800 177.584 -0.095 0.000 1.089 31 A CA -0.236 51.757 52.037 -0.072 0.000 0.797 31 A CB -0.327 18.636 19.000 -0.061 0.000 1.047 31 A HN 0.808 nan 8.150 nan 0.000 0.494 32 Q N 0.418 120.160 119.800 -0.098 0.000 2.297 32 Q HA 0.422 4.762 4.340 -0.001 0.000 0.267 32 Q C -0.078 175.843 176.000 -0.132 0.000 1.006 32 Q CA 0.841 56.570 55.803 -0.124 0.000 0.896 32 Q CB 0.141 28.810 28.738 -0.114 0.000 1.186 32 Q HN 0.776 nan 8.270 nan 0.000 0.392 33 Q N 1.813 121.517 119.800 -0.160 0.000 2.894 33 Q HA 0.535 4.874 4.340 -0.001 0.000 0.328 33 Q C -0.628 175.246 176.000 -0.211 0.000 0.807 33 Q CA -0.375 55.323 55.803 -0.174 0.000 0.831 33 Q CB -0.196 28.463 28.738 -0.132 0.000 1.389 33 Q HN 0.414 nan 8.270 nan 0.000 0.489 34 A N 0.312 122.992 122.820 -0.234 0.000 1.855 34 A HA -0.081 4.238 4.320 -0.001 0.000 0.215 34 A C 0.713 178.211 177.584 -0.144 0.000 1.191 34 A CA 2.048 53.930 52.037 -0.258 0.000 0.613 34 A CB -0.518 18.322 19.000 -0.266 0.000 0.829 34 A HN 0.613 nan 8.150 nan 0.000 0.442 35 D N 0.459 120.809 120.400 -0.084 0.000 2.456 35 D HA 0.416 5.055 4.640 -0.001 0.000 0.219 35 D C -0.071 176.230 176.300 0.001 0.000 1.126 35 D CA -0.417 53.581 54.000 -0.003 0.000 0.890 35 D CB -0.042 40.779 40.800 0.036 0.000 1.025 35 D HN 0.458 nan 8.370 nan 0.000 0.511 36 I N -0.359 120.179 120.570 -0.054 0.000 2.793 36 I HA 0.581 4.750 4.170 -0.001 0.000 0.313 36 I C -0.251 175.768 176.117 -0.163 0.000 0.998 36 I CA -0.654 60.572 61.300 -0.124 0.000 1.140 36 I CB 1.963 39.825 38.000 -0.229 0.000 1.327 36 I HN -0.049 nan 8.210 nan 0.000 0.491 37 T N 3.729 118.143 114.554 -0.232 0.000 2.823 37 T HA 0.568 4.917 4.350 -0.001 0.000 0.279 37 T C 0.005 174.590 174.700 -0.192 0.000 0.998 37 T CA -0.577 61.325 62.100 -0.330 0.000 0.994 37 T CB 1.782 70.421 68.868 -0.382 0.000 0.960 37 T HN 0.616 nan 8.240 nan 0.000 0.448 38 V N 0.571 120.402 119.914 -0.139 0.000 3.193 38 V HA 0.859 4.978 4.120 -0.001 0.000 0.320 38 V C 1.651 177.716 176.094 -0.048 0.000 1.112 38 V CA -0.503 61.761 62.300 -0.060 0.000 1.026 38 V CB 0.389 32.224 31.823 0.019 0.000 1.128 38 V HN 0.880 nan 8.190 nan 0.000 0.452 39 A N 1.331 124.141 122.820 -0.015 0.000 1.929 39 A HA -0.284 4.035 4.320 -0.001 0.000 0.221 39 A C 1.558 179.134 177.584 -0.013 0.000 1.211 39 A CA 2.735 54.766 52.037 -0.011 0.000 0.657 39 A CB -1.281 17.723 19.000 0.007 0.000 0.827 39 A HN 1.249 nan 8.150 nan 0.000 0.462 40 D N -2.281 118.116 120.400 -0.005 0.000 2.363 40 D HA 0.293 4.933 4.640 -0.001 0.000 0.226 40 D C 1.168 177.461 176.300 -0.011 0.000 1.020 40 D CA 1.120 55.119 54.000 -0.002 0.000 0.892 40 D CB -0.674 40.132 40.800 0.010 0.000 0.900 40 D HN 1.044 nan 8.370 nan 0.000 0.531 41 G N -0.055 108.722 108.800 -0.038 0.000 2.199 41 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.254 41 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.254 41 G C 0.436 175.289 174.900 -0.078 0.000 0.982 41 G CA 0.405 45.469 45.100 -0.060 0.000 0.632 41 G HN 0.841 nan 8.290 nan 0.000 0.529 42 S N 0.436 116.111 115.700 -0.042 0.000 2.603 42 S HA 0.604 5.074 4.470 -0.001 0.000 0.268 42 S C 0.002 174.556 174.600 -0.077 0.000 1.317 42 S CA -0.537 57.668 58.200 0.009 0.000 1.012 42 S CB 1.073 64.301 63.200 0.047 0.000 0.926 42 S HN 0.394 nan 8.310 nan 0.000 0.539 43 H N 0.278 119.362 119.070 0.024 0.000 2.457 43 H HA 0.632 5.188 4.556 -0.001 0.000 0.335 43 H C -0.171 175.183 175.328 0.042 0.000 1.115 43 H CA -0.538 55.521 56.048 0.019 0.000 1.219 43 H CB 1.708 31.476 29.762 0.010 0.000 1.471 43 H HN 0.700 nan 8.280 nan 0.000 0.491 44 V N 0.847 120.844 119.914 0.138 0.000 3.049 44 V HA 0.480 4.600 4.120 -0.001 0.000 0.309 44 V C -0.229 175.936 176.094 0.118 0.000 1.148 44 V CA -1.129 61.260 62.300 0.148 0.000 0.990 44 V CB 2.160 34.098 31.823 0.192 0.000 1.039 44 V HN 0.569 nan 8.190 nan 0.000 0.430 45 I N 3.022 123.684 120.570 0.153 0.000 2.325 45 I HA 0.331 4.500 4.170 -0.001 0.000 0.291 45 I C 0.105 176.277 176.117 0.091 0.000 1.019 45 I CA -0.114 61.238 61.300 0.086 0.000 1.302 45 I CB 0.999 39.088 38.000 0.148 0.000 1.401 45 I HN 0.737 nan 8.210 nan 0.000 0.485 46 N N 6.445 125.109 118.700 -0.059 0.000 2.401 46 N HA 0.159 4.898 4.740 -0.001 0.000 0.255 46 N C -0.603 174.849 175.510 -0.097 0.000 1.110 46 N CA 0.137 53.176 53.050 -0.018 0.000 0.949 46 N CB 0.279 38.674 38.487 -0.153 0.000 1.110 46 N HN 0.360 nan 8.380 nan 0.000 0.490 47 F N 1.837 121.884 119.950 0.161 0.000 2.855 47 F HA 0.207 4.734 4.527 -0.001 0.000 0.317 47 F C 0.518 176.353 175.800 0.058 0.000 1.169 47 F CA -0.586 57.443 58.000 0.047 0.000 1.299 47 F CB 0.152 39.084 39.000 -0.114 0.000 0.962 47 F HN 0.578 nan 8.300 nan 0.000 0.506 48 C N -0.999 118.432 119.300 0.218 0.000 3.254 48 C HA 0.876 5.335 4.460 -0.001 0.000 0.264 48 C C 0.229 175.283 174.990 0.106 0.000 2.396 48 C CA -0.840 58.294 59.018 0.193 0.000 1.468 48 C CB -1.482 26.435 27.740 0.295 0.000 2.871 48 C HN 0.289 nan 8.230 nan 0.000 0.480 49 A N 1.097 123.903 122.820 -0.023 0.000 2.354 49 A HA 0.774 5.093 4.320 -0.001 0.000 0.321 49 A C 0.423 177.825 177.584 -0.303 0.000 1.125 49 A CA -0.433 51.533 52.037 -0.119 0.000 0.799 49 A CB 0.888 19.790 19.000 -0.163 0.000 1.293 49 A HN 0.436 nan 8.150 nan 0.000 0.452 50 N N 1.101 119.613 118.700 -0.313 0.000 2.362 50 N HA -0.029 4.711 4.740 -0.001 0.000 0.204 50 N C -0.045 175.080 175.510 -0.642 0.000 1.166 50 N CA 0.171 52.876 53.050 -0.575 0.000 0.831 50 N CB 0.047 38.425 38.487 -0.181 0.000 1.008 50 N HN 0.600 nan 8.380 nan 0.000 0.472 51 N N 0.789 119.189 118.700 -0.499 0.000 3.111 51 N HA -0.002 4.738 4.740 -0.001 0.000 0.302 51 N C 0.591 175.863 175.510 -0.397 0.000 1.317 51 N CA -0.221 52.618 53.050 -0.351 0.000 1.151 51 N CB -0.326 37.999 38.487 -0.270 0.000 1.456 51 N HN 0.099 nan 8.380 nan 0.000 0.547 52 Y N -0.092 119.996 120.300 -0.353 0.000 2.139 52 Y HA -0.206 4.343 4.550 -0.001 0.000 0.282 52 Y C 1.576 177.202 175.900 -0.456 0.000 1.179 52 Y CA 1.314 59.077 58.100 -0.562 0.000 1.161 52 Y CB -0.097 37.678 38.460 -1.142 0.000 0.970 52 Y HN 0.316 nan 8.280 nan 0.000 0.511 53 L N -1.391 119.729 121.223 -0.172 0.000 2.667 53 L HA 0.311 4.650 4.340 -0.001 0.000 0.232 53 L C 1.461 178.259 176.870 -0.120 0.000 1.138 53 L CA 0.404 55.164 54.840 -0.132 0.000 0.921 53 L CB -0.205 41.815 42.059 -0.066 0.000 1.180 53 L HN 0.347 nan 8.230 nan 0.000 0.487 54 G N 0.931 109.635 108.800 -0.161 0.000 2.249 54 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.273 54 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.273 54 G C 0.593 175.458 174.900 -0.057 0.000 1.036 54 G CA 0.376 45.389 45.100 -0.145 0.000 0.824 54 G HN 0.387 nan 8.290 nan 0.000 0.504 55 L N -0.757 120.437 121.223 -0.048 0.000 2.607 55 L HA 0.329 4.669 4.340 -0.001 0.000 0.228 55 L C 2.814 179.687 176.870 0.005 0.000 1.123 55 L CA 0.663 55.509 54.840 0.009 0.000 0.890 55 L CB -0.188 41.845 42.059 -0.044 0.000 1.103 55 L HN 0.336 nan 8.230 nan 0.000 0.468 56 A N 0.746 123.540 122.820 -0.044 0.000 2.024 56 A HA -0.231 4.089 4.320 -0.001 0.000 0.220 56 A C 1.712 179.276 177.584 -0.034 0.000 1.164 56 A CA 2.122 54.129 52.037 -0.050 0.000 0.643 56 A CB -0.418 18.531 19.000 -0.085 0.000 0.806 56 A HN 0.483 nan 8.150 nan 0.000 0.451 57 N N -1.662 117.021 118.700 -0.029 0.000 2.365 57 N HA 0.096 4.836 4.740 -0.001 0.000 0.257 57 N C -0.365 175.129 175.510 -0.026 0.000 1.287 57 N CA -0.381 52.649 53.050 -0.034 0.000 0.882 57 N CB -0.270 38.178 38.487 -0.065 0.000 1.250 57 N HN 0.535 nan 8.380 nan 0.000 0.507 58 H N 0.772 119.808 119.070 -0.057 0.000 2.803 58 H HA 0.149 4.704 4.556 -0.001 0.000 0.330 58 H C -1.250 174.054 175.328 -0.039 0.000 1.057 58 H CA -1.142 54.876 56.048 -0.049 0.000 1.458 58 H CB 1.259 30.991 29.762 -0.050 0.000 1.470 58 H HN 0.146 nan 8.280 nan 0.000 0.560 59 P HA -0.184 nan 4.420 nan 0.000 0.218 59 P C 0.585 177.956 177.300 0.118 0.000 1.148 59 P CA 1.141 64.226 63.100 -0.024 0.000 0.822 59 P CB 0.483 32.115 31.700 -0.114 0.000 0.784 60 D N -0.353 120.264 120.400 0.361 0.000 2.144 60 D HA -0.057 4.583 4.640 -0.001 0.000 0.200 60 D C 2.183 178.531 176.300 0.081 0.000 0.978 60 D CA 0.821 54.933 54.000 0.188 0.000 0.833 60 D CB -0.629 40.247 40.800 0.126 0.000 0.961 60 D HN 0.208 nan 8.370 nan 0.000 0.470 61 L N 0.200 121.476 121.223 0.088 0.000 2.109 61 L HA -0.022 4.318 4.340 -0.001 0.000 0.207 61 L C 2.427 179.309 176.870 0.021 0.000 1.086 61 L CA 0.532 55.385 54.840 0.021 0.000 0.760 61 L CB -0.212 41.854 42.059 0.012 0.000 0.910 61 L HN 0.014 nan 8.230 nan 0.000 0.437 62 I N 0.175 120.766 120.570 0.035 0.000 2.226 62 I HA -0.280 3.889 4.170 -0.001 0.000 0.245 62 I C 2.822 178.948 176.117 0.015 0.000 1.100 62 I CA 1.199 62.510 61.300 0.018 0.000 1.374 62 I CB -0.386 37.620 38.000 0.011 0.000 1.057 62 I HN 0.196 nan 8.210 nan 0.000 0.413 63 A N 0.731 123.563 122.820 0.020 0.000 1.902 63 A HA -0.164 4.156 4.320 -0.001 0.000 0.217 63 A C 2.540 180.129 177.584 0.008 0.000 1.181 63 A CA 1.856 53.901 52.037 0.015 0.000 0.623 63 A CB -0.813 18.199 19.000 0.019 0.000 0.818 63 A HN 0.433 nan 8.150 nan 0.000 0.443 64 A N -0.183 122.638 122.820 0.002 0.000 1.902 64 A HA 0.175 4.494 4.320 -0.001 0.000 0.217 64 A C 2.497 180.071 177.584 -0.016 0.000 1.181 64 A CA 2.041 54.071 52.037 -0.013 0.000 0.623 64 A CB -0.983 18.000 19.000 -0.028 0.000 0.818 64 A HN 1.042 nan 8.150 nan 0.000 0.443 65 A N -0.106 122.708 122.820 -0.009 0.000 1.902 65 A HA -0.169 4.150 4.320 -0.001 0.000 0.217 65 A C 2.122 179.714 177.584 0.013 0.000 1.181 65 A CA 1.829 53.863 52.037 -0.005 0.000 0.623 65 A CB -0.430 18.572 19.000 0.003 0.000 0.818 65 A HN 0.544 nan 8.150 nan 0.000 0.443 66 K N -0.375 120.036 120.400 0.018 0.000 2.026 66 K HA -0.061 4.259 4.320 -0.001 0.000 0.208 66 K C 2.333 178.951 176.600 0.029 0.000 1.048 66 K CA 1.150 57.453 56.287 0.027 0.000 0.929 66 K CB -0.344 32.168 32.500 0.019 0.000 0.713 66 K HN 0.432 nan 8.250 nan 0.000 0.439 67 A N 1.747 124.580 122.820 0.021 0.000 1.933 67 A HA -0.034 4.285 4.320 -0.001 0.000 0.218 67 A C 1.546 179.156 177.584 0.044 0.000 1.175 67 A CA 1.448 53.502 52.037 0.027 0.000 0.628 67 A CB -1.092 17.918 19.000 0.016 0.000 0.814 67 A HN 0.385 nan 8.150 nan 0.000 0.444 71 S N -0.757 114.994 115.700 0.086 0.000 2.497 71 S HA 0.063 4.532 4.470 -0.001 0.000 0.221 71 S C 1.159 175.720 174.600 -0.065 0.000 1.037 71 S CA 0.553 58.783 58.200 0.049 0.000 0.920 71 S CB 0.093 63.375 63.200 0.137 0.000 0.800 71 S HN 0.122 nan 8.310 nan 0.000 0.505 72 H N 1.344 120.418 119.070 0.006 0.000 2.893 72 H HA 0.563 5.119 4.556 -0.001 0.000 0.270 72 H C 1.152 176.492 175.328 0.020 0.000 1.095 72 H CA 0.180 56.232 56.048 0.007 0.000 1.186 72 H CB 0.780 30.534 29.762 -0.013 0.000 1.562 72 H HN 0.656 nan 8.280 nan 0.000 0.536 73 G N 0.182 109.053 108.800 0.118 0.000 2.728 73 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.294 73 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.294 73 G C 0.206 175.204 174.900 0.163 0.000 1.342 73 G CA -0.052 45.120 45.100 0.120 0.000 0.866 73 G HN 0.238 nan 8.290 nan 0.000 0.534 74 F N 1.291 121.256 119.950 0.024 0.000 2.220 74 F HA 0.498 5.024 4.527 -0.001 0.000 0.290 74 F C 1.551 177.364 175.800 0.021 0.000 1.080 74 F CA 2.218 60.229 58.000 0.018 0.000 1.318 74 F CB -0.111 38.894 39.000 0.008 0.000 1.063 74 F HN 1.102 nan 8.300 nan 0.000 0.498 78 S N -0.565 115.064 115.700 -0.118 0.000 2.586 78 S HA 0.566 5.035 4.470 -0.001 0.000 0.277 78 S C -0.358 174.108 174.600 -0.222 0.000 1.131 78 S CA 0.071 58.169 58.200 -0.170 0.000 0.848 78 S CB 0.977 64.064 63.200 -0.188 0.000 1.091 78 S HN 1.803 nan 8.310 nan 0.000 0.453 79 V N 3.213 122.961 119.914 -0.277 0.000 3.133 79 V HA 0.619 4.738 4.120 -0.001 0.000 0.305 79 V C 1.660 177.502 176.094 -0.421 0.000 1.084 79 V CA -0.404 61.696 62.300 -0.333 0.000 1.089 79 V CB 0.557 32.202 31.823 -0.297 0.000 1.073 79 V HN 0.987 nan 8.190 nan 0.000 0.477 80 R N 1.396 121.585 120.500 -0.518 0.000 2.091 80 R HA -0.138 4.202 4.340 -0.001 0.000 0.238 80 R C 1.911 178.057 176.300 -0.257 0.000 1.136 80 R CA 2.367 58.189 56.100 -0.464 0.000 0.959 80 R CB -1.004 28.890 30.300 -0.678 0.000 0.856 80 R HN 1.013 nan 8.270 nan 0.000 0.437 81 F N -0.568 119.212 119.950 -0.284 0.000 2.502 81 F HA 0.069 4.596 4.527 -0.001 0.000 0.298 81 F C 1.673 177.398 175.800 -0.125 0.000 1.111 81 F CA 0.419 58.322 58.000 -0.161 0.000 1.445 81 F CB -0.280 38.636 39.000 -0.139 0.000 1.081 81 F HN -0.156 nan 8.300 nan 0.000 0.558 82 I N 0.404 120.510 120.570 -0.773 0.000 3.284 82 I HA -0.054 4.115 4.170 -0.001 0.000 0.231 82 I C 1.208 177.150 176.117 -0.292 0.000 1.041 82 I CA 0.914 61.851 61.300 -0.606 0.000 1.478 82 I CB -0.298 37.269 38.000 -0.722 0.000 1.340 82 I HN 0.373 nan 8.210 nan 0.000 0.449 83 C N -0.573 118.566 119.300 -0.269 0.000 3.214 83 C HA 0.592 5.052 4.460 -0.001 0.000 0.261 83 C C 1.145 176.034 174.990 -0.169 0.000 2.279 83 C CA -0.472 58.444 59.018 -0.170 0.000 1.606 83 C CB -0.836 26.828 27.740 -0.127 0.000 3.251 83 C HN 0.548 nan 8.230 nan 0.000 0.443 84 G N 0.490 109.152 108.800 -0.231 0.000 3.277 84 G HA2 0.382 4.341 3.960 -0.001 0.000 0.243 84 G HA3 0.382 4.341 3.960 -0.001 0.000 0.243 84 G C 0.208 174.881 174.900 -0.379 0.000 1.107 84 G CA 0.213 45.154 45.100 -0.266 0.000 0.771 84 G HN 0.497 nan 8.290 nan 0.000 0.544 85 T N 1.502 115.899 114.554 -0.261 0.000 2.770 85 T HA 0.462 4.812 4.350 -0.001 0.000 0.297 85 T C -0.111 174.582 174.700 -0.011 0.000 0.997 85 T CA -0.186 61.775 62.100 -0.231 0.000 0.949 85 T CB 1.742 70.540 68.868 -0.117 0.000 0.941 85 T HN 0.204 nan 8.240 nan 0.000 0.457 86 Q N 1.446 121.378 119.800 0.220 0.000 2.241 86 Q HA 0.252 4.592 4.340 -0.001 0.000 0.262 86 Q C 0.749 176.881 176.000 0.220 0.000 1.014 86 Q CA -1.026 54.940 55.803 0.272 0.000 0.885 86 Q CB 1.215 30.195 28.738 0.404 0.000 1.311 86 Q HN 0.652 nan 8.270 nan 0.000 0.461 87 D N -0.149 120.355 120.400 0.173 0.000 2.182 87 D HA -0.165 4.474 4.640 -0.001 0.000 0.201 87 D C 1.198 177.536 176.300 0.065 0.000 0.986 87 D CA 1.472 55.540 54.000 0.114 0.000 0.847 87 D CB -0.272 40.597 40.800 0.115 0.000 0.942 87 D HN 0.241 nan 8.370 nan 0.000 0.467 88 S N -0.356 115.345 115.700 0.001 0.000 2.402 88 S HA -0.141 4.329 4.470 -0.001 0.000 0.229 88 S C 1.733 176.242 174.600 -0.152 0.000 1.021 88 S CA 0.741 58.838 58.200 -0.173 0.000 0.974 88 S CB -0.412 62.509 63.200 -0.466 0.000 0.800 88 S HN 0.448 nan 8.310 nan 0.000 0.484 89 H N 1.394 120.434 119.070 -0.050 0.000 2.353 89 H HA 0.021 4.576 4.556 -0.001 0.000 0.300 89 H C 1.986 177.304 175.328 -0.017 0.000 1.090 89 H CA 1.140 57.170 56.048 -0.030 0.000 1.327 89 H CB -0.026 29.727 29.762 -0.015 0.000 1.383 89 H HN 0.213 nan 8.280 nan 0.000 0.508 90 K N 1.069 121.541 120.400 0.121 0.000 2.097 90 K HA -0.124 4.195 4.320 -0.001 0.000 0.205 90 K C 2.062 178.676 176.600 0.024 0.000 1.050 90 K CA 0.608 56.934 56.287 0.064 0.000 0.938 90 K CB -0.329 32.204 32.500 0.056 0.000 0.718 90 K HN 0.489 nan 8.250 nan 0.000 0.442 91 E N 0.675 120.876 120.200 0.003 0.000 2.051 91 E HA -0.190 4.159 4.350 -0.001 0.000 0.192 91 E C 1.961 178.540 176.600 -0.036 0.000 0.991 91 E CA 0.847 57.234 56.400 -0.021 0.000 0.799 91 E CB -0.027 29.649 29.700 -0.040 0.000 0.748 91 E HN 0.071 nan 8.360 nan 0.000 0.449 92 L N 1.528 122.718 121.223 -0.054 0.000 2.046 92 L HA -0.160 4.180 4.340 -0.001 0.000 0.208 92 L C 1.845 178.682 176.870 -0.055 0.000 1.077 92 L CA 1.874 56.673 54.840 -0.068 0.000 0.747 92 L CB -0.334 41.674 42.059 -0.085 0.000 0.896 92 L HN 0.116 nan 8.230 nan 0.000 0.432 93 E N -0.921 119.267 120.200 -0.020 0.000 2.110 93 E HA -0.255 4.095 4.350 -0.001 0.000 0.193 93 E C 2.132 178.716 176.600 -0.025 0.000 0.988 93 E CA 1.401 57.790 56.400 -0.018 0.000 0.804 93 E CB -0.135 29.575 29.700 0.016 0.000 0.745 93 E HN 0.673 nan 8.360 nan 0.000 0.458 94 Q N 0.410 120.202 119.800 -0.014 0.000 2.119 94 Q HA -0.112 4.227 4.340 -0.001 0.000 0.201 94 Q C 2.035 178.031 176.000 -0.007 0.000 0.972 94 Q CA 0.814 56.613 55.803 -0.007 0.000 0.847 94 Q CB 0.114 28.852 28.738 -0.001 0.000 0.903 94 Q HN 0.013 nan 8.270 nan 0.000 0.433 95 K N 0.808 121.196 120.400 -0.020 0.000 2.057 95 K HA -0.072 4.247 4.320 -0.001 0.000 0.206 95 K C 2.083 178.682 176.600 -0.002 0.000 1.050 95 K CA 0.880 57.160 56.287 -0.012 0.000 0.935 95 K CB -0.386 32.089 32.500 -0.042 0.000 0.715 95 K HN 0.232 nan 8.250 nan 0.000 0.439 96 L N 0.681 121.862 121.223 -0.070 0.000 2.017 96 L HA -0.184 4.155 4.340 -0.001 0.000 0.208 96 L C 2.562 179.417 176.870 -0.025 0.000 1.073 96 L CA 1.337 56.101 54.840 -0.126 0.000 0.745 96 L CB -0.611 41.261 42.059 -0.312 0.000 0.894 96 L HN 0.121 nan 8.230 nan 0.000 0.432 97 A N -0.080 122.724 122.820 -0.027 0.000 1.883 97 A HA -0.251 4.069 4.320 -0.001 0.000 0.217 97 A C 2.494 180.100 177.584 0.037 0.000 1.186 97 A CA 2.041 54.080 52.037 0.003 0.000 0.624 97 A CB -0.880 18.119 19.000 -0.001 0.000 0.822 97 A HN 0.441 nan 8.150 nan 0.000 0.444 98 A N -1.320 121.527 122.820 0.045 0.000 1.877 98 A HA -0.058 4.262 4.320 -0.001 0.000 0.216 98 A C 2.087 179.714 177.584 0.071 0.000 1.186 98 A CA 1.675 53.740 52.037 0.048 0.000 0.620 98 A CB -0.778 18.249 19.000 0.045 0.000 0.822 98 A HN 0.728 nan 8.150 nan 0.000 0.443 99 F N 0.607 120.541 119.950 -0.027 0.000 2.095 99 F HA -0.147 4.379 4.527 -0.001 0.000 0.298 99 F C 1.760 177.573 175.800 0.022 0.000 1.104 99 F CA 1.917 59.909 58.000 -0.014 0.000 1.232 99 F CB -0.204 38.775 39.000 -0.035 0.000 0.987 99 F HN 0.127 nan 8.300 nan 0.000 0.475 100 L N 0.013 121.312 121.223 0.127 0.000 2.478 100 L HA 0.198 4.537 4.340 -0.001 0.000 0.223 100 L C 1.282 178.224 176.870 0.120 0.000 1.140 100 L CA 0.284 55.199 54.840 0.124 0.000 0.842 100 L CB -1.382 40.768 42.059 0.151 0.000 0.953 100 L HN 0.446 nan 8.230 nan 0.000 0.452 104 D N -0.717 119.685 120.400 0.004 0.000 2.665 104 D HA 0.716 5.355 4.640 -0.001 0.000 0.287 104 D C -1.858 174.444 176.300 0.002 0.000 1.266 104 D CA -0.107 53.894 54.000 0.000 0.000 0.830 104 D CB 2.120 42.919 40.800 -0.003 0.000 1.356 104 D HN 0.127 nan 8.370 nan 0.000 0.437 105 A N 0.669 123.488 122.820 -0.001 0.000 2.549 105 A HA 0.720 5.039 4.320 -0.001 0.000 0.297 105 A C -1.597 175.994 177.584 0.011 0.000 1.061 105 A CA -0.663 51.384 52.037 0.017 0.000 0.690 105 A CB 1.119 20.107 19.000 -0.021 0.000 1.287 105 A HN 0.533 nan 8.150 nan 0.000 0.402 106 I N 2.122 122.715 120.570 0.039 0.000 2.466 106 I HA 0.557 4.726 4.170 -0.001 0.000 0.289 106 I C -1.393 174.756 176.117 0.053 0.000 1.026 106 I CA -1.057 60.206 61.300 -0.062 0.000 1.078 106 I CB 1.151 38.982 38.000 -0.281 0.000 1.249 106 I HN 0.651 nan 8.210 nan 0.000 0.429 107 L N 7.593 128.855 121.223 0.066 0.000 2.371 107 L HA 0.390 4.730 4.340 -0.001 0.000 0.272 107 L C -1.090 175.788 176.870 0.013 0.000 1.124 107 L CA -0.183 54.750 54.840 0.156 0.000 0.816 107 L CB 0.743 42.909 42.059 0.178 0.000 1.129 107 L HN 0.535 nan 8.230 nan 0.000 0.448 108 Y N -1.159 119.253 120.300 0.186 0.000 2.634 108 Y HA 0.149 4.698 4.550 -0.001 0.000 0.340 108 Y C 1.042 177.004 175.900 0.105 0.000 1.058 108 Y CA -0.689 57.503 58.100 0.153 0.000 1.081 108 Y CB 1.897 40.427 38.460 0.117 0.000 1.295 108 Y HN 0.580 nan 8.280 nan 0.000 0.487 109 S N -0.948 114.905 115.700 0.254 0.000 2.561 109 S HA 0.163 4.632 4.470 -0.001 0.000 0.225 109 S C 0.198 174.877 174.600 0.131 0.000 0.977 109 S CA 0.559 58.847 58.200 0.146 0.000 0.926 109 S CB -0.432 62.829 63.200 0.101 0.000 0.769 109 S HN 0.659 nan 8.310 nan 0.000 0.533 110 S N -1.630 114.168 115.700 0.163 0.000 2.595 110 S HA 0.345 4.815 4.470 -0.001 0.000 0.270 110 S C 0.198 174.840 174.600 0.071 0.000 1.145 110 S CA -0.311 57.955 58.200 0.109 0.000 0.825 110 S CB 0.688 63.960 63.200 0.120 0.000 1.107 110 S HN 0.187 nan 8.310 nan 0.000 0.461 111 C N 0.829 120.131 119.300 0.004 0.000 2.448 111 C HA 0.179 4.638 4.460 -0.001 0.000 0.280 111 C C 2.204 177.166 174.990 -0.046 0.000 1.398 111 C CA 0.750 59.706 59.018 -0.105 0.000 1.774 111 C CB -2.029 25.605 27.740 -0.176 0.000 1.888 111 C HN 0.783 nan 8.230 nan 0.000 0.519 112 F N 2.049 121.968 119.950 -0.052 0.000 2.126 112 F HA -0.104 4.423 4.527 -0.001 0.000 0.299 112 F C 1.795 177.574 175.800 -0.035 0.000 1.096 112 F CA 2.434 60.437 58.000 0.005 0.000 1.255 112 F CB -0.305 38.723 39.000 0.046 0.000 0.997 112 F HN 0.230 nan 8.300 nan 0.000 0.479 113 D N -0.310 120.204 120.400 0.189 0.000 2.249 113 D HA 0.019 4.658 4.640 -0.001 0.000 0.205 113 D C 2.252 178.335 176.300 -0.363 0.000 0.962 113 D CA 1.014 55.049 54.000 0.059 0.000 0.860 113 D CB -0.324 40.585 40.800 0.183 0.000 0.955 113 D HN 0.308 nan 8.370 nan 0.000 0.505 114 A N 0.898 123.369 122.820 -0.583 0.000 1.902 114 A HA -0.193 4.127 4.320 -0.001 0.000 0.217 114 A C 1.948 179.157 177.584 -0.624 0.000 1.181 114 A CA 1.297 52.660 52.037 -1.124 0.000 0.623 114 A CB -0.390 18.239 19.000 -0.619 0.000 0.818 114 A HN 0.103 nan 8.150 nan 0.000 0.443 115 N N 0.203 118.689 118.700 -0.358 0.000 2.142 115 N HA -0.088 4.651 4.740 -0.001 0.000 0.186 115 N C 1.864 177.307 175.510 -0.112 0.000 1.023 115 N CA 1.458 54.379 53.050 -0.214 0.000 0.852 115 N CB -0.895 37.523 38.487 -0.115 0.000 0.998 115 N HN 0.452 nan 8.380 nan 0.000 0.424 116 G N -0.166 108.561 108.800 -0.122 0.000 2.442 116 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.219 116 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.219 116 G C 1.205 176.119 174.900 0.024 0.000 1.141 116 G CA 1.049 46.145 45.100 -0.006 0.000 0.763 116 G HN 0.439 nan 8.290 nan 0.000 0.554 117 G N -0.491 108.262 108.800 -0.078 0.000 3.434 117 G HA2 0.344 4.303 3.960 -0.001 0.000 0.258 117 G HA3 0.344 4.303 3.960 -0.001 0.000 0.258 117 G C 1.105 175.973 174.900 -0.054 0.000 1.128 117 G CA 0.190 45.291 45.100 0.002 0.000 0.792 117 G HN 0.331 nan 8.290 nan 0.000 0.539 118 L N -0.840 120.272 121.223 -0.185 0.000 2.194 118 L HA 0.421 4.761 4.340 -0.001 0.000 0.197 118 L C 2.379 179.095 176.870 -0.256 0.000 1.106 118 L CA 1.235 55.876 54.840 -0.332 0.000 0.785 118 L CB -0.667 40.956 42.059 -0.728 0.000 0.960 118 L HN 0.130 nan 8.230 nan 0.000 0.465 119 F N 0.846 120.805 119.950 0.015 0.000 2.065 119 F HA -0.234 4.292 4.527 -0.001 0.000 0.298 119 F C 2.676 178.513 175.800 0.063 0.000 1.112 119 F CA 1.971 59.992 58.000 0.036 0.000 1.212 119 F CB -1.067 37.944 39.000 0.020 0.000 0.975 119 F HN 0.303 nan 8.300 nan 0.000 0.476 120 E N 0.084 120.435 120.200 0.252 0.000 2.171 120 E HA -0.212 4.137 4.350 -0.001 0.000 0.197 120 E C 1.849 178.553 176.600 0.173 0.000 0.997 120 E CA 1.878 58.388 56.400 0.183 0.000 0.810 120 E CB -0.149 29.642 29.700 0.153 0.000 0.738 120 E HN 0.420 nan 8.360 nan 0.000 0.467 121 T N 0.483 115.134 114.554 0.161 0.000 2.951 121 T HA -0.027 4.322 4.350 -0.001 0.000 0.268 121 T C 1.716 176.597 174.700 0.302 0.000 1.073 121 T CA 0.816 63.038 62.100 0.204 0.000 1.134 121 T CB 0.060 69.011 68.868 0.137 0.000 0.884 121 T HN 0.169 nan 8.240 nan 0.000 0.479 122 L N -0.718 120.624 121.223 0.198 0.000 2.575 122 L HA 0.417 4.756 4.340 -0.001 0.000 0.228 122 L C 0.239 177.175 176.870 0.109 0.000 1.075 122 L CA 0.220 55.143 54.840 0.139 0.000 0.867 122 L CB 0.188 42.287 42.059 0.065 0.000 1.097 122 L HN 0.119 nan 8.230 nan 0.000 0.485 123 L N -1.234 120.081 121.223 0.153 0.000 2.333 123 L HA 0.800 5.140 4.340 -0.001 0.000 0.263 123 L C 0.010 176.968 176.870 0.147 0.000 1.014 123 L CA -0.639 54.297 54.840 0.160 0.000 0.820 123 L CB 1.934 44.102 42.059 0.183 0.000 1.352 123 L HN -0.124 nan 8.230 nan 0.000 0.421 124 G N -0.780 108.098 108.800 0.130 0.000 3.086 124 G HA2 0.538 4.498 3.960 -0.001 0.000 0.282 124 G HA3 0.538 4.498 3.960 -0.001 0.000 0.282 124 G C 0.421 175.368 174.900 0.078 0.000 1.343 124 G CA 0.063 45.223 45.100 0.100 0.000 0.895 124 G HN 0.679 nan 8.290 nan 0.000 0.557 125 A N -0.736 122.119 122.820 0.058 0.000 2.032 125 A HA -0.017 4.303 4.320 -0.001 0.000 0.221 125 A C 1.743 179.350 177.584 0.038 0.000 1.165 125 A CA 2.120 54.182 52.037 0.042 0.000 0.645 125 A CB -0.427 18.592 19.000 0.032 0.000 0.807 125 A HN 0.653 nan 8.150 nan 0.000 0.453 126 E N -0.034 120.186 120.200 0.035 0.000 2.489 126 E HA 0.026 4.375 4.350 -0.001 0.000 0.193 126 E C -0.396 176.218 176.600 0.024 0.000 1.057 126 E CA -0.020 56.391 56.400 0.018 0.000 0.866 126 E CB 0.147 29.842 29.700 -0.009 0.000 0.916 126 E HN 0.624 nan 8.360 nan 0.000 0.500 127 D N 0.043 120.479 120.400 0.061 0.000 2.569 127 D HA 0.557 5.196 4.640 -0.001 0.000 0.266 127 D C -0.403 175.970 176.300 0.122 0.000 1.164 127 D CA -0.560 53.496 54.000 0.094 0.000 1.071 127 D CB 1.509 42.397 40.800 0.148 0.000 1.183 127 D HN -0.009 nan 8.370 nan 0.000 0.613 128 A N 0.103 123.015 122.820 0.153 0.000 2.515 128 A HA 0.687 5.006 4.320 -0.001 0.000 0.298 128 A C -1.185 176.512 177.584 0.187 0.000 1.059 128 A CA -0.608 51.552 52.037 0.206 0.000 0.698 128 A CB 1.190 20.365 19.000 0.292 0.000 1.289 128 A HN 0.448 nan 8.150 nan 0.000 0.404 129 I N 2.199 122.882 120.570 0.187 0.000 2.447 129 I HA 0.385 4.554 4.170 -0.001 0.000 0.287 129 I C -1.007 175.220 176.117 0.183 0.000 1.023 129 I CA -0.286 61.095 61.300 0.135 0.000 1.083 129 I CB 1.792 39.799 38.000 0.012 0.000 1.245 129 I HN 0.495 nan 8.210 nan 0.000 0.434 130 I N 5.357 126.040 120.570 0.189 0.000 2.328 130 I HA 0.319 4.488 4.170 -0.001 0.000 0.287 130 I C -0.171 176.105 176.117 0.266 0.000 1.012 130 I CA -0.060 61.389 61.300 0.248 0.000 1.195 130 I CB 1.421 39.531 38.000 0.183 0.000 1.350 130 I HN 0.485 nan 8.210 nan 0.000 0.464 131 S N 4.384 120.184 115.700 0.166 0.000 2.537 131 S HA 0.251 4.721 4.470 -0.001 0.000 0.301 131 S C -0.538 173.843 174.600 -0.364 0.000 1.092 131 S CA -0.735 57.469 58.200 0.007 0.000 1.048 131 S CB 1.847 65.004 63.200 -0.072 0.000 1.053 131 S HN 0.576 nan 8.310 nan 0.000 0.501 132 D N 1.438 121.514 120.400 -0.541 0.000 2.390 132 D HA 0.191 4.831 4.640 -0.001 0.000 0.249 132 D C 1.072 177.109 176.300 -0.438 0.000 1.144 132 D CA -0.213 53.213 54.000 -0.957 0.000 0.880 132 D CB 1.375 41.994 40.800 -0.302 0.000 1.182 132 D HN 0.560 nan 8.370 nan 0.000 0.451 133 A N 4.079 126.637 122.820 -0.436 0.000 2.024 133 A HA -0.190 4.129 4.320 -0.001 0.000 0.220 133 A C 1.809 179.292 177.584 -0.167 0.000 1.164 133 A CA 0.838 52.735 52.037 -0.233 0.000 0.643 133 A CB -0.193 18.694 19.000 -0.189 0.000 0.806 133 A HN 0.533 nan 8.150 nan 0.000 0.451 134 L N 0.108 121.198 121.223 -0.221 0.000 2.629 134 L HA 0.231 4.570 4.340 -0.001 0.000 0.230 134 L C 0.001 176.976 176.870 0.175 0.000 1.151 134 L CA -0.342 54.417 54.840 -0.135 0.000 0.924 134 L CB -0.935 40.841 42.059 -0.471 0.000 1.137 134 L HN 0.167 nan 8.230 nan 0.000 0.457 135 N N 0.316 119.120 118.700 0.174 0.000 2.395 135 N HA -0.100 4.639 4.740 -0.001 0.000 0.246 135 N C 0.103 175.703 175.510 0.150 0.000 1.246 135 N CA 0.261 53.438 53.050 0.211 0.000 0.879 135 N CB 0.121 38.657 38.487 0.081 0.000 1.098 135 N HN 0.275 nan 8.380 nan 0.000 0.444 136 H N 0.876 119.982 119.070 0.060 0.000 2.771 136 H HA 0.033 4.588 4.556 -0.001 0.000 0.364 136 H C 0.872 176.190 175.328 -0.018 0.000 1.133 136 H CA 0.248 56.318 56.048 0.035 0.000 1.423 136 H CB 0.818 30.597 29.762 0.028 0.000 1.425 136 H HN 0.640 nan 8.280 nan 0.000 0.606 137 A N 3.302 125.739 122.820 -0.639 0.000 1.948 137 A HA -0.255 4.064 4.320 -0.001 0.000 0.220 137 A C 2.541 179.920 177.584 -0.342 0.000 1.177 137 A CA 2.264 54.066 52.037 -0.390 0.000 0.636 137 A CB -0.938 17.868 19.000 -0.323 0.000 0.815 137 A HN 0.827 nan 8.150 nan 0.000 0.449 138 S N -0.115 115.354 115.700 -0.385 0.000 2.399 138 S HA -0.103 4.366 4.470 -0.001 0.000 0.231 138 S C 1.851 176.264 174.600 -0.312 0.000 1.022 138 S CA 1.392 59.164 58.200 -0.712 0.000 0.983 138 S CB -0.698 62.135 63.200 -0.613 0.000 0.803 138 S HN 0.515 nan 8.310 nan 0.000 0.480 139 I N 1.284 121.804 120.570 -0.083 0.000 2.233 139 I HA -0.084 4.085 4.170 -0.001 0.000 0.243 139 I C 2.449 178.486 176.117 -0.134 0.000 1.093 139 I CA 1.154 62.456 61.300 0.002 0.000 1.380 139 I CB -0.419 37.607 38.000 0.044 0.000 1.067 139 I HN 0.259 nan 8.210 nan 0.000 0.413 140 I N 1.012 121.496 120.570 -0.143 0.000 2.151 140 I HA -0.344 3.825 4.170 -0.001 0.000 0.243 140 I C 1.949 177.982 176.117 -0.141 0.000 1.080 140 I CA 1.572 62.780 61.300 -0.153 0.000 1.339 140 I CB -0.464 37.465 38.000 -0.117 0.000 1.039 140 I HN 0.253 nan 8.210 nan 0.000 0.409 141 D N 0.593 120.914 120.400 -0.131 0.000 2.224 141 D HA -0.086 4.553 4.640 -0.001 0.000 0.205 141 D C 2.142 178.419 176.300 -0.038 0.000 0.965 141 D CA 1.253 55.210 54.000 -0.072 0.000 0.852 141 D CB -0.395 40.380 40.800 -0.042 0.000 0.947 141 D HN 0.405 nan 8.370 nan 0.000 0.494 142 G N 0.426 109.205 108.800 -0.034 0.000 2.394 142 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.215 142 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.215 142 G C 1.784 176.729 174.900 0.076 0.000 1.165 142 G CA 0.351 45.540 45.100 0.147 0.000 0.784 142 G HN 0.226 nan 8.290 nan 0.000 0.535 143 V N 0.723 120.474 119.914 -0.272 0.000 2.515 143 V HA -0.114 4.005 4.120 -0.001 0.000 0.250 143 V C 2.837 178.843 176.094 -0.147 0.000 1.058 143 V CA 1.528 63.589 62.300 -0.398 0.000 1.064 143 V CB -0.425 31.081 31.823 -0.527 0.000 0.675 143 V HN 0.305 nan 8.190 nan 0.000 0.461 144 R N -0.301 120.142 120.500 -0.096 0.000 2.193 144 R HA -0.030 4.309 4.340 -0.001 0.000 0.229 144 R C 1.972 178.269 176.300 -0.004 0.000 1.110 144 R CA 1.051 57.124 56.100 -0.046 0.000 0.988 144 R CB -0.240 30.041 30.300 -0.032 0.000 0.871 144 R HN 0.445 nan 8.270 nan 0.000 0.458 145 L N -0.375 120.863 121.223 0.026 0.000 2.558 145 L HA 0.076 4.416 4.340 -0.001 0.000 0.225 145 L C 1.007 177.921 176.870 0.074 0.000 1.128 145 L CA -0.330 54.545 54.840 0.059 0.000 0.868 145 L CB 0.320 42.431 42.059 0.086 0.000 1.006 145 L HN 0.150 nan 8.230 nan 0.000 0.454 146 C N 0.555 119.896 119.300 0.068 0.000 2.405 146 C HA 0.215 4.675 4.460 -0.001 0.000 0.365 146 C C 1.799 176.819 174.990 0.051 0.000 1.233 146 C CA -0.716 58.355 59.018 0.089 0.000 2.230 146 C CB 0.698 28.512 27.740 0.122 0.000 2.443 146 C HN 0.250 nan 8.230 nan 0.000 0.556 147 K N 3.153 123.591 120.400 0.062 0.000 2.459 147 K HA 0.131 4.451 4.320 -0.001 0.000 0.193 147 K C 0.961 177.582 176.600 0.035 0.000 1.030 147 K CA 0.323 56.635 56.287 0.042 0.000 1.026 147 K CB -0.579 31.951 32.500 0.049 0.000 0.809 147 K HN 0.780 nan 8.250 nan 0.000 0.504 148 A N 1.968 124.818 122.820 0.049 0.000 2.466 148 A HA 0.069 4.388 4.320 -0.001 0.000 0.238 148 A C 0.251 177.841 177.584 0.010 0.000 1.074 148 A CA -0.218 51.850 52.037 0.052 0.000 0.774 148 A CB 0.111 19.162 19.000 0.086 0.000 1.015 148 A HN 0.090 nan 8.150 nan 0.000 0.498 149 K N 1.047 121.455 120.400 0.014 0.000 2.401 149 K HA 0.204 4.523 4.320 -0.001 0.000 0.278 149 K C -0.141 176.375 176.600 -0.141 0.000 1.018 149 K CA 0.665 56.903 56.287 -0.082 0.000 0.981 149 K CB 0.246 32.719 32.500 -0.044 0.000 0.933 149 K HN 0.643 nan 8.250 nan 0.000 0.477 150 R N 3.327 123.654 120.500 -0.288 0.000 2.474 150 R HA 0.382 4.721 4.340 -0.001 0.000 0.295 150 R C -0.943 175.086 176.300 -0.452 0.000 0.980 150 R CA -0.655 55.301 56.100 -0.239 0.000 0.934 150 R CB 1.044 31.249 30.300 -0.159 0.000 1.101 150 R HN 0.533 nan 8.270 nan 0.000 0.469 151 Y N 0.565 120.864 120.300 -0.003 0.000 2.492 151 Y HA 0.443 4.993 4.550 -0.001 0.000 0.346 151 Y C -0.083 175.838 175.900 0.034 0.000 0.997 151 Y CA -0.997 57.112 58.100 0.016 0.000 1.025 151 Y CB 2.085 40.560 38.460 0.026 0.000 1.263 151 Y HN 0.379 nan 8.280 nan 0.000 0.454 152 R N 2.614 123.221 120.500 0.180 0.000 2.750 152 R HA 0.607 4.946 4.340 -0.001 0.000 0.281 152 R C -2.024 174.368 176.300 0.154 0.000 0.972 152 R CA -0.777 55.377 56.100 0.090 0.000 0.912 152 R CB 1.648 31.944 30.300 -0.006 0.000 1.187 152 R HN 0.780 nan 8.270 nan 0.000 0.464 153 Y N 0.651 120.962 120.300 0.019 0.000 2.477 153 Y HA 0.714 5.263 4.550 -0.001 0.000 0.347 153 Y C -0.521 175.367 175.900 -0.020 0.000 0.981 153 Y CA -1.212 56.888 58.100 0.001 0.000 1.033 153 Y CB 1.297 39.756 38.460 -0.002 0.000 1.245 153 Y HN 0.774 nan 8.280 nan 0.000 0.455 154 A N 2.845 125.706 122.820 0.068 0.000 2.555 154 A HA 0.004 4.323 4.320 -0.001 0.000 0.233 154 A C 0.261 177.805 177.584 -0.066 0.000 1.060 154 A CA 0.101 52.121 52.037 -0.029 0.000 0.759 154 A CB -0.296 18.709 19.000 0.007 0.000 0.995 154 A HN 0.899 nan 8.150 nan 0.000 0.506 155 N N 1.425 120.008 118.700 -0.194 0.000 2.301 155 N HA -0.082 4.657 4.740 -0.001 0.000 0.267 155 N C 0.360 175.799 175.510 -0.118 0.000 1.304 155 N CA 1.319 54.185 53.050 -0.307 0.000 0.851 155 N CB -0.283 37.937 38.487 -0.445 0.000 1.070 155 N HN 0.638 nan 8.380 nan 0.000 0.483 156 N N 0.162 118.859 118.700 -0.004 0.000 2.678 156 N HA -0.252 4.488 4.740 -0.001 0.000 0.250 156 N C -1.007 174.578 175.510 0.125 0.000 1.136 156 N CA 1.280 54.400 53.050 0.116 0.000 0.757 156 N CB -1.013 37.504 38.487 0.049 0.000 1.135 156 N HN 0.739 nan 8.380 nan 0.000 0.565 160 E N 1.000 121.185 120.200 -0.025 0.000 2.152 160 E HA -0.036 4.314 4.350 -0.001 0.000 0.192 160 E C 1.645 178.192 176.600 -0.088 0.000 0.983 160 E CA 0.690 57.084 56.400 -0.010 0.000 0.818 160 E CB -0.003 29.741 29.700 0.074 0.000 0.758 160 E HN 0.235 nan 8.360 nan 0.000 0.467 161 L N 1.211 122.291 121.223 -0.239 0.000 2.017 161 L HA -0.165 4.175 4.340 -0.001 0.000 0.208 161 L C 2.111 178.767 176.870 -0.357 0.000 1.073 161 L CA 2.147 56.661 54.840 -0.544 0.000 0.745 161 L CB -0.630 40.925 42.059 -0.839 0.000 0.894 161 L HN 0.158 nan 8.230 nan 0.000 0.432 162 E N -0.569 119.475 120.200 -0.260 0.000 2.110 162 E HA -0.200 4.150 4.350 -0.001 0.000 0.193 162 E C 2.084 178.486 176.600 -0.330 0.000 0.988 162 E CA 1.165 57.397 56.400 -0.279 0.000 0.804 162 E CB -0.208 29.430 29.700 -0.103 0.000 0.745 162 E HN 0.604 nan 8.360 nan 0.000 0.458 163 A N 1.270 123.969 122.820 -0.202 0.000 1.902 163 A HA -0.179 4.140 4.320 -0.001 0.000 0.217 163 A C 2.166 179.622 177.584 -0.214 0.000 1.181 163 A CA 1.376 53.315 52.037 -0.163 0.000 0.623 163 A CB -0.415 18.537 19.000 -0.080 0.000 0.818 163 A HN 0.130 nan 8.150 nan 0.000 0.443 164 R N -0.476 119.893 120.500 -0.218 0.000 2.090 164 R HA 0.057 4.396 4.340 -0.001 0.000 0.228 164 R C 2.070 178.094 176.300 -0.461 0.000 1.110 164 R CA 0.946 56.882 56.100 -0.274 0.000 0.973 164 R CB -1.060 29.169 30.300 -0.120 0.000 0.869 164 R HN 0.579 nan 8.270 nan 0.000 0.440 165 L N 0.816 121.752 121.223 -0.480 0.000 2.046 165 L HA -0.178 4.162 4.340 -0.001 0.000 0.208 165 L C 2.474 178.973 176.870 -0.618 0.000 1.077 165 L CA 1.531 56.023 54.840 -0.579 0.000 0.747 165 L CB -0.327 41.265 42.059 -0.779 0.000 0.896 165 L HN 0.137 nan 8.230 nan 0.000 0.432 166 K N -0.298 119.711 120.400 -0.651 0.000 2.026 166 K HA -0.242 4.078 4.320 -0.001 0.000 0.208 166 K C 2.066 178.527 176.600 -0.231 0.000 1.048 166 K CA 1.572 57.641 56.287 -0.362 0.000 0.929 166 K CB -0.129 32.234 32.500 -0.228 0.000 0.713 166 K HN 0.275 nan 8.250 nan 0.000 0.439 167 E N 0.487 120.527 120.200 -0.268 0.000 2.038 167 E HA -0.244 4.105 4.350 -0.001 0.000 0.195 167 E C 1.949 178.390 176.600 -0.265 0.000 1.000 167 E CA 1.299 57.569 56.400 -0.216 0.000 0.803 167 E CB -0.067 29.509 29.700 -0.206 0.000 0.750 167 E HN 0.333 nan 8.360 nan 0.000 0.448 168 A N 1.386 123.887 122.820 -0.531 0.000 1.877 168 A HA -0.187 4.132 4.320 -0.001 0.000 0.216 168 A C 2.191 179.692 177.584 -0.137 0.000 1.186 168 A CA 1.405 53.188 52.037 -0.423 0.000 0.620 168 A CB -0.488 18.180 19.000 -0.553 0.000 0.822 168 A HN 0.148 nan 8.150 nan 0.000 0.443 169 R N -0.326 120.099 120.500 -0.125 0.000 2.081 169 R HA -0.119 4.221 4.340 -0.001 0.000 0.235 169 R C 1.943 178.236 176.300 -0.012 0.000 1.131 169 R CA 1.621 57.704 56.100 -0.029 0.000 0.960 169 R CB -0.488 29.832 30.300 0.033 0.000 0.856 169 R HN 0.722 nan 8.270 nan 0.000 0.436 170 E N 0.165 120.349 120.200 -0.026 0.000 2.204 170 E HA -0.076 4.273 4.350 -0.001 0.000 0.194 170 E C 1.682 178.285 176.600 0.004 0.000 0.989 170 E CA 0.870 57.266 56.400 -0.006 0.000 0.824 170 E CB 0.032 29.725 29.700 -0.011 0.000 0.756 170 E HN 0.293 nan 8.360 nan 0.000 0.477 171 A N 0.163 122.988 122.820 0.008 0.000 2.167 171 A HA 0.167 4.486 4.320 -0.001 0.000 0.214 171 A C 1.689 179.293 177.584 0.033 0.000 1.151 171 A CA 0.947 53.007 52.037 0.038 0.000 0.735 171 A CB -0.221 18.834 19.000 0.091 0.000 0.802 171 A HN 0.332 nan 8.150 nan 0.000 0.467 172 G N -2.132 106.680 108.800 0.019 0.000 2.131 172 G HA2 0.171 4.131 3.960 -0.001 0.000 0.201 172 G HA3 0.171 4.131 3.960 -0.001 0.000 0.201 172 G C 0.339 175.245 174.900 0.010 0.000 1.000 172 G CA 0.138 45.245 45.100 0.012 0.000 0.680 172 G HN 1.513 nan 8.290 nan 0.000 0.514 173 A N -0.251 122.581 122.820 0.020 0.000 2.498 173 A HA 0.675 4.994 4.320 -0.001 0.000 0.239 173 A C 1.270 178.845 177.584 -0.016 0.000 1.068 173 A CA 1.333 53.385 52.037 0.024 0.000 0.766 173 A CB 0.332 19.362 19.000 0.049 0.000 1.003 173 A HN 0.737 nan 8.150 nan 0.000 0.497 174 R N 0.839 121.305 120.500 -0.056 0.000 2.029 174 R HA 0.057 4.397 4.340 -0.001 0.000 0.210 174 R C -0.100 176.106 176.300 -0.156 0.000 1.272 174 R CA 0.656 56.647 56.100 -0.182 0.000 0.998 174 R CB -0.256 29.847 30.300 -0.329 0.000 0.823 174 R HN 0.898 nan 8.270 nan 0.000 0.481 175 H N -0.419 118.670 119.070 0.032 0.000 2.502 175 H HA 0.357 4.912 4.556 -0.001 0.000 0.327 175 H C -1.087 174.273 175.328 0.053 0.000 1.099 175 H CA -0.941 55.128 56.048 0.035 0.000 1.323 175 H CB 1.987 31.767 29.762 0.030 0.000 1.450 175 H HN -0.005 nan 8.280 nan 0.000 0.502 176 V N 4.597 124.619 119.914 0.181 0.000 2.588 176 V HA 0.261 4.380 4.120 -0.001 0.000 0.304 176 V C -0.597 175.571 176.094 0.123 0.000 1.042 176 V CA -0.739 61.636 62.300 0.126 0.000 0.877 176 V CB 1.969 33.835 31.823 0.073 0.000 0.996 176 V HN 0.528 nan 8.190 nan 0.000 0.425 177 L N 5.762 127.066 121.223 0.134 0.000 2.385 177 L HA 0.692 5.031 4.340 -0.001 0.000 0.273 177 L C -1.038 175.921 176.870 0.148 0.000 0.990 177 L CA -0.444 54.480 54.840 0.141 0.000 0.821 177 L CB 1.707 43.875 42.059 0.182 0.000 1.279 177 L HN 0.575 nan 8.230 nan 0.000 0.412 178 I N 4.924 125.578 120.570 0.139 0.000 2.315 178 I HA 0.517 4.686 4.170 -0.001 0.000 0.291 178 I C 0.123 176.355 176.117 0.193 0.000 1.006 178 I CA -0.307 61.092 61.300 0.163 0.000 1.265 178 I CB 1.658 39.732 38.000 0.124 0.000 1.387 178 I HN 0.697 nan 8.210 nan 0.000 0.475 179 A N 4.696 127.641 122.820 0.209 0.000 2.303 179 A HA 0.794 5.113 4.320 -0.001 0.000 0.320 179 A C -0.308 177.380 177.584 0.173 0.000 1.192 179 A CA -0.424 51.733 52.037 0.200 0.000 0.821 179 A CB 1.507 20.604 19.000 0.162 0.000 1.188 179 A HN 0.628 nan 8.150 nan 0.000 0.492 180 T N 1.178 115.820 114.554 0.146 0.000 2.889 180 T HA 0.451 4.800 4.350 -0.001 0.000 0.315 180 T C -1.409 173.267 174.700 -0.038 0.000 1.291 180 T CA -0.573 61.598 62.100 0.120 0.000 1.028 180 T CB 1.063 70.061 68.868 0.216 0.000 1.235 180 T HN 0.582 nan 8.240 nan 0.000 0.491 181 D N 1.343 121.594 120.400 -0.247 0.000 2.362 181 D HA 0.415 5.054 4.640 -0.001 0.000 0.242 181 D C 1.388 177.366 176.300 -0.535 0.000 1.132 181 D CA 0.556 54.264 54.000 -0.487 0.000 0.907 181 D CB 1.132 41.384 40.800 -0.914 0.000 1.195 181 D HN 0.668 nan 8.370 nan 0.000 0.429 182 G N 0.236 108.827 108.800 -0.349 0.000 2.426 182 G HA2 0.074 4.034 3.960 -0.001 0.000 0.214 182 G HA3 0.074 4.034 3.960 -0.001 0.000 0.214 182 G C 0.113 174.812 174.900 -0.335 0.000 1.156 182 G CA 0.261 45.216 45.100 -0.241 0.000 0.802 182 G HN 0.361 nan 8.290 nan 0.000 0.534 183 V N 0.858 120.522 119.914 -0.416 0.000 2.569 183 V HA 0.412 4.531 4.120 -0.001 0.000 0.301 183 V C -1.313 174.499 176.094 -0.469 0.000 1.044 183 V CA -1.060 60.993 62.300 -0.412 0.000 0.874 183 V CB 1.769 33.351 31.823 -0.402 0.000 1.002 183 V HN 0.157 nan 8.190 nan 0.000 0.424 184 F N 3.810 123.688 119.950 -0.119 0.000 2.462 184 F HA 0.328 4.854 4.527 -0.001 0.000 0.360 184 F C 1.439 177.153 175.800 -0.143 0.000 1.134 184 F CA 0.034 57.985 58.000 -0.082 0.000 1.148 184 F CB 0.740 39.706 39.000 -0.058 0.000 1.147 184 F HN 0.634 nan 8.300 nan 0.000 0.550 188 G N 1.352 110.148 108.800 -0.007 0.000 2.246 188 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.273 188 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.273 188 G C -0.039 174.872 174.900 0.019 0.000 1.055 188 G CA 0.430 45.533 45.100 0.004 0.000 0.851 188 G HN 0.376 nan 8.290 nan 0.000 0.500 189 V N 0.867 120.807 119.914 0.042 0.000 2.435 189 V HA 0.578 4.698 4.120 -0.001 0.000 0.290 189 V C 0.782 176.947 176.094 0.119 0.000 1.030 189 V CA -0.826 61.538 62.300 0.107 0.000 0.881 189 V CB 1.751 33.663 31.823 0.147 0.000 0.983 189 V HN 0.332 nan 8.190 nan 0.000 0.445 190 I N 4.029 124.635 120.570 0.059 0.000 2.365 190 I HA 0.518 4.688 4.170 -0.001 0.000 0.291 190 I C 0.895 177.090 176.117 0.131 0.000 1.004 190 I CA -0.132 61.169 61.300 0.002 0.000 1.311 190 I CB 1.432 39.380 38.000 -0.088 0.000 1.401 190 I HN 0.716 nan 8.210 nan 0.000 0.491 191 A N 4.752 127.646 122.820 0.124 0.000 2.466 191 A HA 0.068 4.388 4.320 -0.001 0.000 0.238 191 A C 0.408 178.094 177.584 0.170 0.000 1.074 191 A CA -0.160 52.018 52.037 0.236 0.000 0.774 191 A CB 0.022 19.109 19.000 0.145 0.000 1.015 191 A HN 0.760 nan 8.150 nan 0.000 0.498 192 N N 1.972 120.780 118.700 0.180 0.000 3.188 192 N HA 0.187 4.926 4.740 -0.001 0.000 0.279 192 N C 0.634 176.212 175.510 0.113 0.000 1.213 192 N CA -0.078 53.050 53.050 0.130 0.000 1.138 192 N CB -0.489 38.064 38.487 0.111 0.000 1.417 192 N HN 0.603 nan 8.380 nan 0.000 0.526 193 L N 0.320 121.608 121.223 0.108 0.000 2.191 193 L HA -0.141 4.199 4.340 -0.001 0.000 0.212 193 L C 2.159 179.069 176.870 0.067 0.000 1.103 193 L CA 0.843 55.737 54.840 0.091 0.000 0.769 193 L CB -0.256 41.859 42.059 0.093 0.000 0.908 193 L HN 0.341 nan 8.230 nan 0.000 0.438 194 K N 0.998 121.432 120.400 0.056 0.000 2.025 194 K HA -0.097 4.222 4.320 -0.001 0.000 0.207 194 K C 1.969 178.587 176.600 0.030 0.000 1.049 194 K CA 1.659 57.966 56.287 0.034 0.000 0.933 194 K CB -0.742 31.770 32.500 0.020 0.000 0.714 194 K HN 0.163 nan 8.250 nan 0.000 0.438 195 G N -0.083 108.738 108.800 0.035 0.000 2.408 195 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.217 195 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.217 195 G C 1.532 176.443 174.900 0.019 0.000 1.150 195 G CA 0.962 46.077 45.100 0.025 0.000 0.776 195 G HN 0.196 nan 8.290 nan 0.000 0.542 196 V N 0.524 120.458 119.914 0.033 0.000 2.261 196 V HA -0.207 3.913 4.120 -0.001 0.000 0.246 196 V C 3.041 179.152 176.094 0.029 0.000 1.047 196 V CA 1.843 64.158 62.300 0.026 0.000 1.015 196 V CB -0.689 31.176 31.823 0.070 0.000 0.642 196 V HN 0.487 nan 8.190 nan 0.000 0.446 197 C N -0.010 119.313 119.300 0.038 0.000 2.425 197 C HA -0.132 4.328 4.460 -0.001 0.000 0.277 197 C C 2.509 177.514 174.990 0.025 0.000 1.280 197 C CA 0.702 59.740 59.018 0.034 0.000 1.744 197 C CB -1.079 26.682 27.740 0.034 0.000 1.989 197 C HN 0.599 nan 8.230 nan 0.000 0.491 198 D N 0.837 121.249 120.400 0.020 0.000 2.117 198 D HA -0.074 4.565 4.640 -0.001 0.000 0.197 198 D C 2.069 178.382 176.300 0.022 0.000 0.987 198 D CA 1.029 55.036 54.000 0.012 0.000 0.829 198 D CB -0.402 40.403 40.800 0.007 0.000 0.961 198 D HN 0.438 nan 8.370 nan 0.000 0.460 199 L N 0.461 121.708 121.223 0.041 0.000 2.141 199 L HA -0.077 4.263 4.340 -0.001 0.000 0.209 199 L C 2.430 179.381 176.870 0.135 0.000 1.094 199 L CA 0.781 55.681 54.840 0.099 0.000 0.763 199 L CB -0.269 41.824 42.059 0.057 0.000 0.908 199 L HN -0.026 nan 8.230 nan 0.000 0.437 200 A N -0.277 122.587 122.820 0.073 0.000 1.933 200 A HA -0.219 4.100 4.320 -0.001 0.000 0.218 200 A C 1.903 179.521 177.584 0.057 0.000 1.175 200 A CA 1.830 53.911 52.037 0.073 0.000 0.628 200 A CB -0.384 18.647 19.000 0.050 0.000 0.814 200 A HN 0.329 nan 8.150 nan 0.000 0.444 201 D N -0.557 119.857 120.400 0.024 0.000 2.117 201 D HA -0.118 4.522 4.640 -0.001 0.000 0.198 201 D C 1.893 178.159 176.300 -0.056 0.000 0.982 201 D CA 1.380 55.374 54.000 -0.009 0.000 0.828 201 D CB -0.227 40.562 40.800 -0.018 0.000 0.967 201 D HN 0.552 nan 8.370 nan 0.000 0.464 202 K N -0.432 119.912 120.400 -0.093 0.000 2.147 202 K HA -0.146 4.173 4.320 -0.001 0.000 0.205 202 K C 0.707 176.991 176.600 -0.527 0.000 1.049 202 K CA 1.028 57.136 56.287 -0.299 0.000 0.936 202 K CB 0.047 32.346 32.500 -0.335 0.000 0.722 202 K HN 0.182 nan 8.250 nan 0.000 0.446 203 Y N 0.310 120.593 120.300 -0.029 0.000 2.660 203 Y HA 0.146 4.695 4.550 -0.001 0.000 0.254 203 Y C -0.453 175.436 175.900 -0.018 0.000 1.176 203 Y CA -0.651 57.430 58.100 -0.031 0.000 1.195 203 Y CB 0.587 39.018 38.460 -0.048 0.000 1.190 203 Y HN 0.089 nan 8.280 nan 0.000 0.535 204 D N 1.292 121.725 120.400 0.056 0.000 2.735 204 D HA -0.177 4.463 4.640 -0.001 0.000 0.235 204 D C -0.366 175.981 176.300 0.079 0.000 1.175 204 D CA 0.889 54.919 54.000 0.051 0.000 0.683 204 D CB -0.740 40.083 40.800 0.039 0.000 1.008 204 D HN 0.386 nan 8.370 nan 0.000 0.416 205 A N 0.932 123.801 122.820 0.081 0.000 2.374 205 A HA 0.758 5.077 4.320 -0.001 0.000 0.317 205 A C 0.151 177.773 177.584 0.062 0.000 1.094 205 A CA -0.731 51.354 52.037 0.080 0.000 0.765 205 A CB 1.126 20.175 19.000 0.081 0.000 1.268 205 A HN 0.231 nan 8.150 nan 0.000 0.438 206 L N 1.206 122.466 121.223 0.062 0.000 2.453 206 L HA 0.537 4.877 4.340 -0.001 0.000 0.261 206 L C -0.020 176.888 176.870 0.063 0.000 1.179 206 L CA -0.322 54.546 54.840 0.046 0.000 0.813 206 L CB 0.945 43.024 42.059 0.034 0.000 1.110 206 L HN 0.479 nan 8.230 nan 0.000 0.466 210 D N 2.843 123.201 120.400 -0.071 0.000 2.396 210 D HA 0.317 4.956 4.640 -0.001 0.000 0.225 210 D C -0.147 176.085 176.300 -0.114 0.000 1.121 210 D CA -0.002 53.938 54.000 -0.100 0.000 0.853 210 D CB 1.668 42.413 40.800 -0.091 0.000 1.043 210 D HN 0.551 nan 8.370 nan 0.000 0.500 211 D N 1.845 122.189 120.400 -0.094 0.000 2.460 211 D HA 0.095 4.735 4.640 -0.001 0.000 0.229 211 D C 1.399 177.673 176.300 -0.043 0.000 1.170 211 D CA 0.049 54.014 54.000 -0.059 0.000 0.827 211 D CB 0.404 41.200 40.800 -0.005 0.000 0.973 211 D HN 0.213 nan 8.370 nan 0.000 0.496 212 S N -0.434 115.207 115.700 -0.098 0.000 2.387 212 S HA -0.175 4.294 4.470 -0.001 0.000 0.230 212 S C 1.247 175.783 174.600 -0.107 0.000 1.035 212 S CA 0.958 59.075 58.200 -0.139 0.000 1.014 212 S CB -0.154 62.901 63.200 -0.241 0.000 0.836 212 S HN 0.519 nan 8.310 nan 0.000 0.466 213 H N -0.411 118.700 119.070 0.068 0.000 2.605 213 H HA 0.573 5.128 4.556 -0.001 0.000 0.308 213 H C 0.941 176.313 175.328 0.073 0.000 1.080 213 H CA 0.541 56.712 56.048 0.204 0.000 1.119 213 H CB 0.142 29.992 29.762 0.146 0.000 1.479 213 H HN 0.396 nan 8.280 nan 0.000 0.537 214 A N -0.095 122.692 122.820 -0.054 0.000 1.827 214 A HA 0.035 4.354 4.320 -0.001 0.000 0.196 214 A C 0.573 177.923 177.584 -0.389 0.000 1.833 214 A CA -0.050 51.702 52.037 -0.474 0.000 1.363 214 A CB 0.198 19.060 19.000 -0.230 0.000 1.439 214 A HN 0.117 nan 8.150 nan 0.000 0.391 215 V N 1.540 121.451 119.914 -0.005 0.000 2.617 215 V HA 0.395 4.515 4.120 -0.001 0.000 0.304 215 V C 1.403 177.652 176.094 0.258 0.000 1.040 215 V CA 2.147 64.554 62.300 0.179 0.000 1.149 215 V CB 0.224 32.213 31.823 0.277 0.000 0.914 215 V HN 1.926 nan 8.190 nan 0.000 0.487 216 G N 5.113 114.103 108.800 0.317 0.000 2.284 216 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.230 216 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.230 216 G C 0.328 175.470 174.900 0.403 0.000 1.021 216 G CA 0.833 46.139 45.100 0.344 0.000 0.619 216 G HN 1.724 nan 8.290 nan 0.000 0.510 217 F N -0.684 119.349 119.950 0.138 0.000 2.912 217 F HA 0.714 5.241 4.527 -0.001 0.000 0.357 217 F C 0.318 176.315 175.800 0.328 0.000 1.003 217 F CA -0.633 57.453 58.000 0.142 0.000 1.132 217 F CB 0.237 39.207 39.000 -0.049 0.000 1.055 217 F HN 0.150 nan 8.300 nan 0.000 0.572 218 V N 2.580 122.320 119.914 -0.291 0.000 2.509 218 V HA 0.734 4.853 4.120 -0.001 0.000 0.284 218 V C 0.584 176.692 176.094 0.023 0.000 1.047 218 V CA 0.070 62.283 62.300 -0.146 0.000 0.952 218 V CB 0.404 31.990 31.823 -0.396 0.000 0.988 218 V HN 0.837 nan 8.190 nan 0.000 0.469 219 G N 4.123 113.001 108.800 0.129 0.000 2.697 219 G HA2 -0.096 3.863 3.960 -0.001 0.000 0.686 219 G HA3 -0.096 3.863 3.960 -0.001 0.000 0.686 219 G C 0.102 175.063 174.900 0.101 0.000 1.179 219 G CA -0.354 44.822 45.100 0.126 0.000 0.765 219 G HN 0.584 nan 8.290 nan 0.000 0.649 220 E N 0.463 120.689 120.200 0.044 0.000 2.160 220 E HA -0.111 4.238 4.350 -0.001 0.000 0.195 220 E C 1.785 178.417 176.600 0.054 0.000 0.991 220 E CA 1.323 57.750 56.400 0.045 0.000 0.810 220 E CB 0.013 29.711 29.700 -0.004 0.000 0.742 220 E HN 0.544 nan 8.360 nan 0.000 0.466 221 N N -0.609 118.100 118.700 0.016 0.000 2.214 221 N HA 0.065 4.804 4.740 -0.001 0.000 0.214 221 N C 0.722 176.261 175.510 0.048 0.000 1.132 221 N CA 0.625 53.679 53.050 0.007 0.000 0.856 221 N CB 1.386 39.826 38.487 -0.077 0.000 1.020 221 N HN 0.170 nan 8.380 nan 0.000 0.509 222 G N 1.788 110.651 108.800 0.105 0.000 2.168 222 G HA2 -0.348 3.612 3.960 -0.001 0.000 0.257 222 G HA3 -0.348 3.612 3.960 -0.001 0.000 0.257 222 G C 1.236 176.258 174.900 0.203 0.000 0.997 222 G CA 0.523 45.740 45.100 0.195 0.000 0.708 222 G HN 0.256 nan 8.290 nan 0.000 0.520 223 R N 0.022 120.503 120.500 -0.032 0.000 2.148 223 R HA 0.435 4.775 4.340 -0.001 0.000 0.223 223 R C 1.888 178.275 176.300 0.144 0.000 1.088 223 R CA 2.065 58.081 56.100 -0.140 0.000 0.985 223 R CB -0.248 29.803 30.300 -0.415 0.000 0.880 223 R HN 1.714 nan 8.270 nan 0.000 0.451 224 G N -2.370 106.475 108.800 0.075 0.000 2.315 224 G HA2 -0.155 3.804 3.960 -0.001 0.000 0.296 224 G HA3 -0.155 3.804 3.960 -0.001 0.000 0.296 224 G C 0.269 175.238 174.900 0.115 0.000 1.289 224 G CA -0.076 45.104 45.100 0.134 0.000 0.996 224 G HN 0.071 nan 8.290 nan 0.000 0.487 225 S N -0.392 115.386 115.700 0.130 0.000 2.423 225 S HA -0.132 4.338 4.470 -0.001 0.000 0.231 225 S C 1.971 176.691 174.600 0.200 0.000 1.014 225 S CA 2.139 60.401 58.200 0.103 0.000 0.965 225 S CB -0.598 62.611 63.200 0.015 0.000 0.785 225 S HN 1.360 nan 8.310 nan 0.000 0.495 226 H N 1.184 120.268 119.070 0.023 0.000 2.423 226 H HA 0.129 4.685 4.556 -0.001 0.000 0.297 226 H C 1.927 177.265 175.328 0.016 0.000 1.075 226 H CA 1.470 57.530 56.048 0.020 0.000 1.342 226 H CB -0.753 29.013 29.762 0.008 0.000 1.395 226 H HN 0.698 nan 8.280 nan 0.000 0.530 227 E N 0.282 120.278 120.200 -0.339 0.000 2.051 227 E HA -0.189 4.161 4.350 -0.001 0.000 0.189 227 E C 2.053 178.604 176.600 -0.081 0.000 0.979 227 E CA 0.292 56.526 56.400 -0.278 0.000 0.803 227 E CB -0.324 29.186 29.700 -0.316 0.000 0.761 227 E HN 0.420 nan 8.360 nan 0.000 0.451 228 Y N 0.678 120.901 120.300 -0.129 0.000 2.151 228 Y HA -0.259 4.291 4.550 -0.001 0.000 0.284 228 Y C 2.041 177.896 175.900 -0.074 0.000 1.166 228 Y CA 1.881 59.920 58.100 -0.101 0.000 1.163 228 Y CB -0.175 38.226 38.460 -0.099 0.000 0.974 228 Y HN 0.194 nan 8.280 nan 0.000 0.511 229 C N 1.288 120.655 119.300 0.112 0.000 2.626 229 C HA 0.063 4.523 4.460 -0.001 0.000 0.266 229 C C 0.004 174.981 174.990 -0.022 0.000 1.317 229 C CA 0.243 59.288 59.018 0.046 0.000 1.716 229 C CB -1.549 26.261 27.740 0.116 0.000 1.819 229 C HN 0.595 nan 8.230 nan 0.000 0.578 230 D N 0.434 120.802 120.400 -0.053 0.000 2.723 230 D HA -0.123 4.517 4.640 -0.001 0.000 0.236 230 D C -0.025 176.261 176.300 -0.023 0.000 1.138 230 D CA 1.315 55.279 54.000 -0.060 0.000 0.676 230 D CB -1.445 39.309 40.800 -0.076 0.000 1.069 230 D HN 0.534 nan 8.370 nan 0.000 0.430 234 R N 0.201 120.727 120.500 0.043 0.000 2.276 234 R HA 0.277 4.616 4.340 -0.001 0.000 0.196 234 R C 0.211 176.529 176.300 0.031 0.000 0.961 234 R CA 0.234 56.353 56.100 0.031 0.000 1.024 234 R CB 0.701 31.019 30.300 0.031 0.000 0.940 234 R HN 0.200 nan 8.270 nan 0.000 0.480 235 V N 2.368 122.302 119.914 0.033 0.000 2.385 235 V HA 0.019 4.138 4.120 -0.001 0.000 0.269 235 V C 0.174 176.266 176.094 -0.004 0.000 1.043 235 V CA 0.018 62.326 62.300 0.012 0.000 0.906 235 V CB 1.361 33.177 31.823 -0.013 0.000 0.995 235 V HN 0.136 nan 8.190 nan 0.000 0.467 236 D N 3.932 124.332 120.400 -0.001 0.000 2.097 236 D HA -0.005 4.634 4.640 -0.001 0.000 0.195 236 D C 0.313 176.600 176.300 -0.022 0.000 0.989 236 D CA 1.460 55.454 54.000 -0.010 0.000 0.827 236 D CB 0.194 40.988 40.800 -0.009 0.000 0.966 236 D HN 0.508 nan 8.370 nan 0.000 0.456 237 I N 0.744 121.297 120.570 -0.028 0.000 2.466 237 I HA 0.345 4.514 4.170 -0.001 0.000 0.289 237 I C -0.926 175.159 176.117 -0.054 0.000 1.026 237 I CA -0.582 60.692 61.300 -0.043 0.000 1.078 237 I CB 2.486 40.447 38.000 -0.065 0.000 1.249 237 I HN -0.171 nan 8.210 nan 0.000 0.429 238 I N 5.170 125.711 120.570 -0.049 0.000 2.436 238 I HA 0.369 4.538 4.170 -0.001 0.000 0.289 238 I C 0.055 176.170 176.117 -0.002 0.000 1.010 238 I CA -0.405 60.862 61.300 -0.055 0.000 1.098 238 I CB 2.292 40.226 38.000 -0.110 0.000 1.266 238 I HN 0.582 nan 8.210 nan 0.000 0.434 239 T N 1.829 116.341 114.554 -0.070 0.000 2.940 239 T HA 0.925 5.275 4.350 -0.001 0.000 0.288 239 T C -0.101 174.421 174.700 -0.296 0.000 1.033 239 T CA -0.804 61.196 62.100 -0.167 0.000 1.033 239 T CB 2.346 71.086 68.868 -0.214 0.000 1.079 239 T HN 0.824 nan 8.240 nan 0.000 0.496 240 G N -0.575 107.747 108.800 -0.796 0.000 2.600 240 G HA2 0.591 4.550 3.960 -0.001 0.000 0.293 240 G HA3 0.591 4.550 3.960 -0.001 0.000 0.293 240 G C -1.273 173.063 174.900 -0.940 0.000 1.408 240 G CA -0.502 44.094 45.100 -0.839 0.000 0.782 240 G HN 0.906 nan 8.290 nan 0.000 0.482 241 T N -0.872 113.438 114.554 -0.406 0.000 2.916 241 T HA 0.580 4.929 4.350 -0.001 0.000 0.292 241 T C 0.406 175.136 174.700 0.050 0.000 1.055 241 T CA -0.631 61.364 62.100 -0.175 0.000 1.009 241 T CB 1.418 70.214 68.868 -0.120 0.000 1.118 241 T HN 0.326 nan 8.240 nan 0.000 0.497 242 L N 2.165 123.434 121.223 0.077 0.000 2.693 242 L HA 0.369 4.708 4.340 -0.001 0.000 0.235 242 L C 2.187 179.081 176.870 0.040 0.000 1.127 242 L CA -0.002 54.895 54.840 0.096 0.000 0.914 242 L CB 0.305 42.425 42.059 0.101 0.000 1.193 242 L HN 0.827 nan 8.230 nan 0.000 0.502 243 G N -0.462 108.349 108.800 0.019 0.000 3.042 243 G HA2 0.017 3.976 3.960 -0.001 0.000 0.212 243 G HA3 0.017 3.976 3.960 -0.001 0.000 0.212 243 G C 1.031 175.924 174.900 -0.011 0.000 1.166 243 G CA 0.114 45.214 45.100 -0.000 0.000 0.767 243 G HN 0.060 nan 8.290 nan 0.000 0.546 244 K N 0.365 120.772 120.400 0.012 0.000 4.447 244 K HA 0.624 4.943 4.320 -0.001 0.000 0.186 244 K C 2.367 179.007 176.600 0.068 0.000 1.136 244 K CA 0.507 56.816 56.287 0.037 0.000 1.893 244 K CB -0.889 31.672 32.500 0.102 0.000 2.651 244 K HN -0.100 nan 8.250 nan 0.000 0.552 245 A N 0.861 123.803 122.820 0.204 0.000 2.015 245 A HA 0.002 4.321 4.320 -0.001 0.000 0.219 245 A C 1.217 178.844 177.584 0.072 0.000 1.163 245 A CA 1.261 53.389 52.037 0.152 0.000 0.646 245 A CB -0.829 18.341 19.000 0.282 0.000 0.806 245 A HN 0.298 nan 8.150 nan 0.000 0.448 246 L N -0.495 120.772 121.223 0.073 0.000 2.922 246 L HA 0.306 4.646 4.340 -0.001 0.000 0.244 246 L C 1.460 178.323 176.870 -0.012 0.000 1.324 246 L CA 0.342 55.190 54.840 0.014 0.000 1.172 246 L CB -0.787 41.284 42.059 0.019 0.000 1.545 246 L HN 0.579 nan 8.230 nan 0.000 0.438 247 G N -0.636 108.152 108.800 -0.020 0.000 2.561 247 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.203 247 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.203 247 G C 0.896 175.779 174.900 -0.028 0.000 1.101 247 G CA -0.284 44.799 45.100 -0.028 0.000 0.711 247 G HN 0.655 nan 8.290 nan 0.000 0.511 248 G N 0.239 109.026 108.800 -0.021 0.000 2.159 248 G HA2 0.123 4.082 3.960 -0.001 0.000 0.256 248 G HA3 0.123 4.082 3.960 -0.001 0.000 0.256 248 G C 1.495 176.381 174.900 -0.023 0.000 0.977 248 G CA 1.513 46.595 45.100 -0.030 0.000 0.652 248 G HN 2.114 nan 8.290 nan 0.000 0.531 249 A N -0.464 122.347 122.820 -0.014 0.000 1.843 249 A HA 0.710 5.030 4.320 -0.001 0.000 0.213 249 A C 1.534 179.117 177.584 -0.003 0.000 1.239 249 A CA 2.293 54.324 52.037 -0.010 0.000 0.606 249 A CB -0.106 18.888 19.000 -0.010 0.000 0.903 249 A HN 2.388 nan 8.150 nan 0.000 0.455 250 S N -4.341 111.362 115.700 0.005 0.000 2.656 250 S HA 0.554 5.024 4.470 -0.001 0.000 0.265 250 S C -0.319 174.302 174.600 0.035 0.000 1.110 250 S CA 0.369 58.579 58.200 0.016 0.000 0.821 250 S CB 0.344 63.551 63.200 0.012 0.000 1.099 250 S HN 2.378 nan 8.310 nan 0.000 0.471 251 G N -0.914 107.919 108.800 0.055 0.000 2.617 251 G HA2 0.508 4.467 3.960 -0.001 0.000 0.686 251 G HA3 0.508 4.467 3.960 -0.001 0.000 0.686 251 G C -0.152 174.806 174.900 0.096 0.000 1.214 251 G CA -0.119 45.036 45.100 0.092 0.000 0.796 251 G HN 2.203 nan 8.290 nan 0.000 0.654 252 G N -0.634 108.253 108.800 0.144 0.000 2.721 252 G HA2 1.151 5.111 3.960 -0.001 0.000 0.296 252 G HA3 1.151 5.111 3.960 -0.001 0.000 0.296 252 G C -1.008 174.010 174.900 0.196 0.000 1.383 252 G CA 0.371 45.493 45.100 0.036 0.000 0.788 252 G HN 2.320 nan 8.290 nan 0.000 0.500 253 Y N -3.154 117.240 120.300 0.156 0.000 2.741 253 Y HA 0.768 5.318 4.550 -0.001 0.000 0.339 253 Y C -0.922 175.049 175.900 0.117 0.000 1.226 253 Y CA -1.411 56.810 58.100 0.201 0.000 1.072 253 Y CB 0.962 39.490 38.460 0.113 0.000 1.331 253 Y HN 0.593 nan 8.280 nan 0.000 0.453 254 T N 1.787 116.568 114.554 0.379 0.000 2.879 254 T HA 0.842 5.192 4.350 -0.001 0.000 0.290 254 T C -0.922 173.905 174.700 0.212 0.000 0.993 254 T CA -0.294 61.928 62.100 0.202 0.000 0.975 254 T CB 1.275 70.209 68.868 0.110 0.000 0.981 254 T HN 1.011 nan 8.240 nan 0.000 0.439 255 A N 2.233 125.155 122.820 0.169 0.000 2.342 255 A HA 1.043 5.362 4.320 -0.001 0.000 0.323 255 A C -0.179 177.424 177.584 0.033 0.000 1.125 255 A CA -0.438 51.653 52.037 0.090 0.000 0.785 255 A CB 1.097 20.145 19.000 0.080 0.000 1.221 255 A HN 1.294 nan 8.150 nan 0.000 0.463 256 A N 1.769 124.599 122.820 0.016 0.000 2.552 256 A HA 0.694 5.013 4.320 -0.001 0.000 0.308 256 A C -0.582 177.002 177.584 -0.000 0.000 1.114 256 A CA -0.821 51.216 52.037 -0.000 0.000 0.610 256 A CB 0.340 19.335 19.000 -0.008 0.000 1.402 256 A HN 0.800 nan 8.150 nan 0.000 0.563 257 R N 0.395 120.891 120.500 -0.006 0.000 2.734 257 R HA 0.131 4.471 4.340 -0.001 0.000 0.266 257 R C 1.277 177.577 176.300 -0.000 0.000 1.044 257 R CA 0.276 56.373 56.100 -0.005 0.000 1.128 257 R CB 0.447 30.739 30.300 -0.012 0.000 1.010 257 R HN 0.798 nan 8.270 nan 0.000 0.461 258 K N 2.195 122.596 120.400 0.001 0.000 2.059 258 K HA -0.244 4.075 4.320 -0.001 0.000 0.212 258 K C 1.661 178.271 176.600 0.016 0.000 1.050 258 K CA 2.218 58.509 56.287 0.006 0.000 0.927 258 K CB 0.066 32.569 32.500 0.006 0.000 0.714 258 K HN 0.647 nan 8.250 nan 0.000 0.447 259 E N 0.416 120.624 120.200 0.015 0.000 2.204 259 E HA -0.122 4.228 4.350 -0.001 0.000 0.194 259 E C 2.014 178.650 176.600 0.060 0.000 0.989 259 E CA 1.068 57.487 56.400 0.032 0.000 0.824 259 E CB -0.363 29.337 29.700 -0.000 0.000 0.756 259 E HN 0.206 nan 8.360 nan 0.000 0.477 260 V N 1.642 121.575 119.914 0.032 0.000 2.323 260 V HA -0.199 3.920 4.120 -0.001 0.000 0.244 260 V C 2.688 178.825 176.094 0.072 0.000 1.041 260 V CA 1.424 63.754 62.300 0.050 0.000 1.025 260 V CB -0.292 31.535 31.823 0.006 0.000 0.656 260 V HN 0.107 nan 8.190 nan 0.000 0.451 261 V N 0.079 120.009 119.914 0.026 0.000 2.343 261 V HA -0.255 3.864 4.120 -0.001 0.000 0.247 261 V C 2.554 178.623 176.094 -0.042 0.000 1.051 261 V CA 2.273 64.563 62.300 -0.016 0.000 1.036 261 V CB -0.614 31.195 31.823 -0.024 0.000 0.654 261 V HN 0.596 nan 8.190 nan 0.000 0.451 262 E N -0.459 119.746 120.200 0.009 0.000 2.106 262 E HA -0.232 4.117 4.350 -0.001 0.000 0.192 262 E C 2.009 178.628 176.600 0.032 0.000 0.984 262 E CA 1.497 57.900 56.400 0.005 0.000 0.806 262 E CB -0.370 29.357 29.700 0.045 0.000 0.750 262 E HN 0.690 nan 8.360 nan 0.000 0.458 263 W N 0.561 121.816 121.300 -0.075 0.000 2.388 263 W HA -0.153 4.507 4.660 -0.001 0.000 0.294 263 W C 1.432 177.903 176.519 -0.080 0.000 1.212 263 W CA 0.968 58.275 57.345 -0.065 0.000 1.271 263 W CB -0.107 29.323 29.460 -0.049 0.000 1.126 263 W HN 0.129 nan 8.180 nan 0.000 0.535 264 L N 0.354 121.544 121.223 -0.054 0.000 2.083 264 L HA -0.218 4.122 4.340 -0.001 0.000 0.209 264 L C 2.751 179.419 176.870 -0.335 0.000 1.083 264 L CA 1.333 56.078 54.840 -0.158 0.000 0.752 264 L CB -0.792 41.217 42.059 -0.083 0.000 0.899 264 L HN -0.121 nan 8.230 nan 0.000 0.433 265 R N -0.536 119.723 120.500 -0.402 0.000 2.096 265 R HA -0.151 4.189 4.340 -0.001 0.000 0.235 265 R C 2.302 178.473 176.300 -0.216 0.000 1.127 265 R CA 0.983 56.814 56.100 -0.449 0.000 0.968 265 R CB -0.165 29.969 30.300 -0.276 0.000 0.861 265 R HN 0.403 nan 8.270 nan 0.000 0.440 266 Q N -0.271 119.327 119.800 -0.336 0.000 2.187 266 Q HA -0.008 4.331 4.340 -0.001 0.000 0.199 266 Q C 1.406 177.083 176.000 -0.537 0.000 0.957 266 Q CA 1.144 56.681 55.803 -0.444 0.000 0.857 266 Q CB 0.367 28.765 28.738 -0.567 0.000 0.929 266 Q HN 0.226 nan 8.270 nan 0.000 0.453 267 R N -0.996 119.152 120.500 -0.585 0.000 2.544 267 R HA 0.190 4.529 4.340 -0.001 0.000 0.303 267 R C 0.338 176.520 176.300 -0.196 0.000 0.939 267 R CA -0.054 55.779 56.100 -0.445 0.000 1.102 267 R CB 0.337 30.258 30.300 -0.632 0.000 1.440 267 R HN -0.075 nan 8.270 nan 0.000 0.532 268 S N 1.403 117.024 115.700 -0.131 0.000 2.481 268 S HA 0.111 4.580 4.470 -0.001 0.000 0.282 268 S C 1.252 175.909 174.600 0.096 0.000 1.243 268 S CA -0.152 58.074 58.200 0.044 0.000 1.078 268 S CB 0.640 63.924 63.200 0.140 0.000 0.916 268 S HN 0.164 nan 8.310 nan 0.000 0.495 269 R N 4.576 125.170 120.500 0.158 0.000 2.091 269 R HA -0.084 4.256 4.340 -0.001 0.000 0.238 269 R C -0.905 175.568 176.300 0.287 0.000 1.136 269 R CA 1.887 58.147 56.100 0.267 0.000 0.959 269 R CB -1.147 29.362 30.300 0.347 0.000 0.856 269 R HN 0.524 nan 8.270 nan 0.000 0.437 270 P HA -0.148 nan 4.420 nan 0.000 0.221 270 P C 0.589 178.050 177.300 0.267 0.000 1.150 270 P CA 0.989 64.286 63.100 0.329 0.000 0.800 270 P CB 0.012 31.950 31.700 0.396 0.000 0.787 271 Y N 0.008 120.353 120.300 0.074 0.000 2.286 271 Y HA -0.047 4.503 4.550 -0.001 0.000 0.293 271 Y C 1.913 177.713 175.900 -0.167 0.000 1.124 271 Y CA 1.329 59.336 58.100 -0.155 0.000 1.178 271 Y CB -0.682 37.608 38.460 -0.283 0.000 1.010 271 Y HN -0.210 nan 8.280 nan 0.000 0.536 272 L N -1.743 119.364 121.223 -0.194 0.000 2.179 272 L HA -0.077 4.263 4.340 -0.001 0.000 0.208 272 L C 0.570 177.091 176.870 -0.582 0.000 1.096 272 L CA 0.784 55.311 54.840 -0.521 0.000 0.779 272 L CB -0.233 41.176 42.059 -1.083 0.000 0.922 272 L HN 0.108 nan 8.230 nan 0.000 0.443 273 F N -1.310 118.689 119.950 0.082 0.000 2.791 273 F HA 0.339 4.865 4.527 -0.001 0.000 0.308 273 F C 0.492 176.311 175.800 0.031 0.000 1.138 273 F CA -0.376 57.660 58.000 0.060 0.000 1.294 273 F CB 0.397 39.437 39.000 0.066 0.000 0.975 273 F HN -0.221 nan 8.300 nan 0.000 0.512 274 S N 0.010 115.769 115.700 0.098 0.000 2.541 274 S HA 0.385 4.855 4.470 -0.001 0.000 0.271 274 S C -0.730 173.848 174.600 -0.036 0.000 1.133 274 S CA -0.735 57.502 58.200 0.062 0.000 0.876 274 S CB 1.031 64.296 63.200 0.109 0.000 1.105 274 S HN 0.154 nan 8.310 nan 0.000 0.470 275 N N 1.733 120.412 118.700 -0.034 0.000 2.294 275 N HA 0.014 4.753 4.740 -0.001 0.000 0.248 275 N C -0.043 175.402 175.510 -0.109 0.000 1.242 275 N CA 0.800 53.802 53.050 -0.079 0.000 0.848 275 N CB 0.646 39.102 38.487 -0.053 0.000 1.084 275 N HN 0.514 nan 8.380 nan 0.000 0.457 276 S N 1.926 117.528 115.700 -0.162 0.000 2.593 276 S HA 0.197 4.666 4.470 -0.001 0.000 0.269 276 S C -0.006 174.573 174.600 -0.036 0.000 1.334 276 S CA -0.779 57.311 58.200 -0.182 0.000 1.015 276 S CB 0.219 63.229 63.200 -0.316 0.000 0.912 276 S HN 0.487 nan 8.310 nan 0.000 0.541 277 L N 3.777 125.045 121.223 0.076 0.000 2.490 277 L HA 0.390 4.729 4.340 -0.001 0.000 0.274 277 L C 0.559 177.498 176.870 0.115 0.000 1.201 277 L CA 0.506 55.414 54.840 0.112 0.000 0.869 277 L CB -0.087 42.056 42.059 0.139 0.000 1.123 277 L HN 0.779 nan 8.230 nan 0.000 0.484 278 A N 6.536 129.345 122.820 -0.019 0.000 2.462 278 A HA 0.346 4.666 4.320 -0.001 0.000 0.243 278 A C -1.569 175.951 177.584 -0.108 0.000 1.076 278 A CA -0.798 51.179 52.037 -0.099 0.000 0.773 278 A CB -0.389 18.493 19.000 -0.197 0.000 1.010 278 A HN 0.810 nan 8.150 nan 0.000 0.493 279 P HA -0.246 nan 4.420 nan 0.000 0.216 279 P C 1.700 178.926 177.300 -0.123 0.000 1.154 279 P CA 2.519 65.543 63.100 -0.127 0.000 0.865 279 P CB 0.144 31.835 31.700 -0.015 0.000 0.789 280 A N -0.798 121.976 122.820 -0.076 0.000 1.908 280 A HA -0.196 4.124 4.320 -0.001 0.000 0.218 280 A C 2.200 179.745 177.584 -0.065 0.000 1.181 280 A CA 1.621 53.631 52.037 -0.045 0.000 0.627 280 A CB -1.577 17.422 19.000 -0.001 0.000 0.818 280 A HN 0.135 nan 8.150 nan 0.000 0.445 281 I N -0.641 119.885 120.570 -0.075 0.000 2.353 281 I HA -0.158 4.011 4.170 -0.001 0.000 0.248 281 I C 2.282 178.344 176.117 -0.091 0.000 1.119 281 I CA 0.776 62.038 61.300 -0.065 0.000 1.417 281 I CB -0.367 37.606 38.000 -0.045 0.000 1.078 281 I HN 0.135 nan 8.210 nan 0.000 0.421 282 V N 1.335 121.160 119.914 -0.148 0.000 2.295 282 V HA -0.290 3.830 4.120 -0.001 0.000 0.246 282 V C 2.795 178.777 176.094 -0.186 0.000 1.049 282 V CA 2.094 64.270 62.300 -0.207 0.000 1.024 282 V CB -0.957 30.621 31.823 -0.408 0.000 0.648 282 V HN 0.478 nan 8.190 nan 0.000 0.447 283 A N 0.027 122.736 122.820 -0.185 0.000 1.877 283 A HA -0.136 4.183 4.320 -0.001 0.000 0.216 283 A C 2.425 179.945 177.584 -0.106 0.000 1.186 283 A CA 2.206 54.150 52.037 -0.154 0.000 0.620 283 A CB -0.915 18.005 19.000 -0.133 0.000 0.822 283 A HN 0.582 nan 8.150 nan 0.000 0.443 284 A N -0.674 122.096 122.820 -0.084 0.000 1.933 284 A HA -0.058 4.261 4.320 -0.001 0.000 0.218 284 A C 2.402 179.940 177.584 -0.077 0.000 1.175 284 A CA 2.044 54.041 52.037 -0.066 0.000 0.628 284 A CB -0.775 18.197 19.000 -0.046 0.000 0.814 284 A HN 0.456 nan 8.150 nan 0.000 0.444 285 S N -0.297 115.353 115.700 -0.084 0.000 2.402 285 S HA -0.054 4.416 4.470 -0.001 0.000 0.229 285 S C 1.742 176.274 174.600 -0.114 0.000 1.021 285 S CA 1.242 59.388 58.200 -0.090 0.000 0.974 285 S CB -0.419 62.737 63.200 -0.073 0.000 0.800 285 S HN 0.562 nan 8.310 nan 0.000 0.484 286 I N 1.230 121.733 120.570 -0.111 0.000 2.252 286 I HA -0.178 3.992 4.170 -0.001 0.000 0.245 286 I C 2.470 178.527 176.117 -0.099 0.000 1.102 286 I CA 1.117 62.353 61.300 -0.107 0.000 1.385 286 I CB -0.173 37.766 38.000 -0.103 0.000 1.064 286 I HN 0.172 nan 8.210 nan 0.000 0.414 287 K N 0.979 121.324 120.400 -0.091 0.000 2.057 287 K HA -0.114 4.206 4.320 -0.001 0.000 0.206 287 K C 1.953 178.491 176.600 -0.104 0.000 1.050 287 K CA 1.271 57.508 56.287 -0.084 0.000 0.935 287 K CB -0.620 31.837 32.500 -0.071 0.000 0.715 287 K HN 0.110 nan 8.250 nan 0.000 0.439 288 V N 0.754 120.598 119.914 -0.116 0.000 2.490 288 V HA -0.157 3.963 4.120 -0.001 0.000 0.250 288 V C 1.980 177.976 176.094 -0.163 0.000 1.061 288 V CA 1.550 63.770 62.300 -0.133 0.000 1.064 288 V CB -0.236 31.517 31.823 -0.117 0.000 0.670 288 V HN 0.364 nan 8.190 nan 0.000 0.461 289 L N -0.503 120.601 121.223 -0.200 0.000 2.093 289 L HA -0.074 4.265 4.340 -0.001 0.000 0.208 289 L C 1.555 178.338 176.870 -0.145 0.000 1.085 289 L CA 0.929 55.594 54.840 -0.291 0.000 0.755 289 L CB -0.425 41.446 42.059 -0.314 0.000 0.904 289 L HN 0.418 nan 8.230 nan 0.000 0.435 293 E N 1.164 121.435 120.200 0.119 0.000 2.216 293 E HA 0.052 4.402 4.350 -0.001 0.000 0.192 293 E C 2.171 178.818 176.600 0.078 0.000 0.988 293 E CA 1.032 57.517 56.400 0.142 0.000 0.834 293 E CB -0.040 29.752 29.700 0.153 0.000 0.772 293 E HN 0.624 nan 8.360 nan 0.000 0.479 294 A N 1.240 124.088 122.820 0.046 0.000 1.958 294 A HA -0.075 4.244 4.320 -0.001 0.000 0.221 294 A C 1.270 178.876 177.584 0.036 0.000 1.178 294 A CA 1.807 53.862 52.037 0.030 0.000 0.642 294 A CB -0.342 18.664 19.000 0.009 0.000 0.816 294 A HN 0.352 nan 8.150 nan 0.000 0.453 295 G N -5.076 103.752 108.800 0.047 0.000 2.349 295 G HA2 0.557 4.517 3.960 -0.001 0.000 0.294 295 G HA3 0.557 4.517 3.960 -0.001 0.000 0.294 295 G C 0.141 175.080 174.900 0.065 0.000 1.380 295 G CA 0.230 45.360 45.100 0.050 0.000 0.811 295 G HN 0.785 nan 8.290 nan 0.000 0.519 296 S N -1.044 114.697 115.700 0.068 0.000 2.556 296 S HA 0.328 4.797 4.470 -0.001 0.000 0.216 296 S C 1.486 176.136 174.600 0.084 0.000 0.970 296 S CA 1.226 59.480 58.200 0.090 0.000 0.912 296 S CB -0.103 63.155 63.200 0.096 0.000 0.790 296 S HN 0.556 nan 8.310 nan 0.000 0.504 297 E N 1.556 121.792 120.200 0.061 0.000 2.049 297 E HA -0.139 4.210 4.350 -0.001 0.000 0.198 297 E C 1.630 178.255 176.600 0.041 0.000 1.007 297 E CA 1.223 57.654 56.400 0.050 0.000 0.809 297 E CB -0.446 29.277 29.700 0.038 0.000 0.749 297 E HN 0.659 nan 8.360 nan 0.000 0.450 298 L N 0.197 121.437 121.223 0.029 0.000 2.056 298 L HA -0.130 4.209 4.340 -0.001 0.000 0.207 298 L C 2.501 179.359 176.870 -0.020 0.000 1.078 298 L CA 1.219 56.059 54.840 -0.002 0.000 0.749 298 L CB -0.335 41.718 42.059 -0.010 0.000 0.901 298 L HN 0.077 nan 8.230 nan 0.000 0.433 299 R N -0.040 120.481 120.500 0.036 0.000 2.081 299 R HA -0.154 4.186 4.340 -0.001 0.000 0.235 299 R C 1.895 178.243 176.300 0.080 0.000 1.131 299 R CA 1.492 57.624 56.100 0.053 0.000 0.960 299 R CB -0.442 29.997 30.300 0.231 0.000 0.856 299 R HN 0.378 nan 8.270 nan 0.000 0.436 300 D N 0.321 120.803 120.400 0.137 0.000 2.104 300 D HA -0.141 4.498 4.640 -0.001 0.000 0.194 300 D C 2.031 178.397 176.300 0.110 0.000 0.994 300 D CA 1.152 55.253 54.000 0.167 0.000 0.830 300 D CB -0.162 40.713 40.800 0.124 0.000 0.959 300 D HN 0.181 nan 8.370 nan 0.000 0.452 301 R N 0.025 120.550 120.500 0.041 0.000 2.081 301 R HA -0.105 4.235 4.340 -0.001 0.000 0.235 301 R C 2.344 178.626 176.300 -0.029 0.000 1.131 301 R CA 0.467 56.579 56.100 0.020 0.000 0.960 301 R CB -0.654 29.646 30.300 0.001 0.000 0.856 301 R HN 0.181 nan 8.270 nan 0.000 0.436 302 L N 0.147 121.273 121.223 -0.162 0.000 1.989 302 L HA -0.150 4.189 4.340 -0.001 0.000 0.211 302 L C 1.807 178.479 176.870 -0.330 0.000 1.071 302 L CA 1.770 56.400 54.840 -0.351 0.000 0.749 302 L CB -0.640 41.020 42.059 -0.665 0.000 0.890 302 L HN 0.189 nan 8.230 nan 0.000 0.431 303 W N -0.852 120.501 121.300 0.087 0.000 2.425 303 W HA -0.058 4.601 4.660 -0.001 0.000 0.277 303 W C 2.461 179.031 176.519 0.086 0.000 1.231 303 W CA 0.630 58.026 57.345 0.086 0.000 1.248 303 W CB -0.365 29.148 29.460 0.088 0.000 1.117 303 W HN 0.296 nan 8.180 nan 0.000 0.568 304 A N 0.736 123.705 122.820 0.249 0.000 1.897 304 A HA -0.186 4.134 4.320 -0.001 0.000 0.215 304 A C 1.824 179.506 177.584 0.164 0.000 1.181 304 A CA 1.700 53.849 52.037 0.185 0.000 0.620 304 A CB -0.779 18.302 19.000 0.135 0.000 0.821 304 A HN 0.216 nan 8.150 nan 0.000 0.443 305 N N 0.725 119.505 118.700 0.133 0.000 2.120 305 N HA -0.102 4.638 4.740 -0.001 0.000 0.188 305 N C 1.889 177.504 175.510 0.173 0.000 1.024 305 N CA 1.615 54.748 53.050 0.138 0.000 0.852 305 N CB -0.632 37.924 38.487 0.116 0.000 1.003 305 N HN 0.456 nan 8.380 nan 0.000 0.424 306 A N 1.728 124.659 122.820 0.185 0.000 1.877 306 A HA -0.118 4.201 4.320 -0.001 0.000 0.216 306 A C 2.246 179.984 177.584 0.257 0.000 1.186 306 A CA 1.176 53.363 52.037 0.249 0.000 0.620 306 A CB -0.438 18.782 19.000 0.366 0.000 0.822 306 A HN 0.222 nan 8.150 nan 0.000 0.443 307 R N -0.843 119.804 120.500 0.246 0.000 2.083 307 R HA -0.204 4.135 4.340 -0.001 0.000 0.237 307 R C 2.581 178.966 176.300 0.142 0.000 1.137 307 R CA 1.737 57.947 56.100 0.183 0.000 0.951 307 R CB -0.412 29.989 30.300 0.168 0.000 0.851 307 R HN 0.797 nan 8.270 nan 0.000 0.434 308 Q N 0.045 119.935 119.800 0.150 0.000 2.020 308 Q HA -0.207 4.132 4.340 -0.001 0.000 0.202 308 Q C 1.958 178.028 176.000 0.118 0.000 0.982 308 Q CA 1.626 57.503 55.803 0.123 0.000 0.838 308 Q CB -0.160 28.658 28.738 0.133 0.000 0.899 308 Q HN 0.228 nan 8.270 nan 0.000 0.423 309 F N 1.206 121.152 119.950 -0.006 0.000 2.095 309 F HA -0.194 4.332 4.527 -0.001 0.000 0.298 309 F C 2.568 178.322 175.800 -0.077 0.000 1.104 309 F CA 2.005 59.957 58.000 -0.080 0.000 1.232 309 F CB -0.267 38.659 39.000 -0.123 0.000 0.987 309 F HN 0.014 nan 8.300 nan 0.000 0.475 310 R N 0.391 120.916 120.500 0.041 0.000 2.083 310 R HA -0.180 4.160 4.340 -0.001 0.000 0.237 310 R C 2.209 178.457 176.300 -0.087 0.000 1.137 310 R CA 2.097 58.170 56.100 -0.044 0.000 0.951 310 R CB -0.379 29.963 30.300 0.072 0.000 0.851 310 R HN 0.397 nan 8.270 nan 0.000 0.434 311 E N 0.231 120.413 120.200 -0.029 0.000 2.051 311 E HA -0.178 4.172 4.350 -0.001 0.000 0.192 311 E C 0.772 177.337 176.600 -0.059 0.000 0.991 311 E CA 0.912 57.298 56.400 -0.024 0.000 0.799 311 E CB -0.006 29.701 29.700 0.013 0.000 0.748 311 E HN 0.486 nan 8.360 nan 0.000 0.449 315 A N 1.517 124.326 122.820 -0.017 0.000 2.015 315 A HA 0.495 4.814 4.320 -0.001 0.000 0.219 315 A C 2.069 179.644 177.584 -0.015 0.000 1.163 315 A CA 1.742 53.771 52.037 -0.013 0.000 0.646 315 A CB -0.850 18.143 19.000 -0.011 0.000 0.806 315 A HN 1.058 nan 8.150 nan 0.000 0.448 316 A N -1.880 120.942 122.820 0.004 0.000 2.206 316 A HA 0.390 4.709 4.320 -0.001 0.000 0.211 316 A C 1.802 179.302 177.584 -0.140 0.000 1.158 316 A CA 1.331 53.364 52.037 -0.007 0.000 0.761 316 A CB -0.746 18.332 19.000 0.130 0.000 0.801 316 A HN 1.802 nan 8.150 nan 0.000 0.473 317 G N -2.443 106.290 108.800 -0.110 0.000 2.179 317 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.220 317 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.220 317 G C 0.001 174.777 174.900 -0.207 0.000 0.990 317 G CA -0.049 44.946 45.100 -0.174 0.000 0.646 317 G HN 0.281 nan 8.290 nan 0.000 0.517 318 F N 1.690 121.621 119.950 -0.033 0.000 2.410 318 F HA 0.526 5.053 4.527 -0.001 0.000 0.334 318 F C 1.294 177.073 175.800 -0.035 0.000 1.134 318 F CA 0.450 58.433 58.000 -0.027 0.000 1.227 318 F CB 0.990 39.942 39.000 -0.080 0.000 1.194 318 F HN -0.085 nan 8.300 nan 0.000 0.571 319 T N 4.730 119.409 114.554 0.208 0.000 2.728 319 T HA 0.556 4.906 4.350 -0.001 0.000 0.296 319 T C -0.228 174.523 174.700 0.085 0.000 0.940 319 T CA -0.437 61.728 62.100 0.108 0.000 1.013 319 T CB -0.014 68.909 68.868 0.091 0.000 0.912 319 T HN 0.258 nan 8.240 nan 0.000 0.484 320 L N 2.247 123.497 121.223 0.045 0.000 2.333 320 L HA 0.860 5.200 4.340 -0.001 0.000 0.269 320 L C 0.308 177.189 176.870 0.018 0.000 1.010 320 L CA -1.339 53.510 54.840 0.014 0.000 0.818 320 L CB 1.641 43.695 42.059 -0.007 0.000 1.306 320 L HN 0.598 nan 8.230 nan 0.000 0.430 321 A N 0.782 123.609 122.820 0.012 0.000 2.281 321 A HA 0.889 5.208 4.320 -0.001 0.000 0.329 321 A C 0.385 177.986 177.584 0.027 0.000 1.122 321 A CA 0.170 52.215 52.037 0.014 0.000 0.850 321 A CB 0.952 19.953 19.000 0.001 0.000 1.207 321 A HN 1.042 nan 8.150 nan 0.000 0.495 322 G N -0.923 107.894 108.800 0.029 0.000 2.692 322 G HA2 0.484 4.444 3.960 -0.001 0.000 0.248 322 G HA3 0.484 4.444 3.960 -0.001 0.000 0.248 322 G C 0.098 175.035 174.900 0.062 0.000 1.340 322 G CA 0.179 45.308 45.100 0.048 0.000 0.896 322 G HN 2.783 nan 8.290 nan 0.000 0.570 323 A N -1.567 121.303 122.820 0.083 0.000 2.590 323 A HA 0.665 4.984 4.320 -0.001 0.000 0.294 323 A C 0.127 177.774 177.584 0.105 0.000 1.046 323 A CA 0.832 52.922 52.037 0.088 0.000 0.684 323 A CB 0.633 19.671 19.000 0.064 0.000 1.279 323 A HN 2.144 nan 8.150 nan 0.000 0.415 324 D N 0.382 120.844 120.400 0.104 0.000 2.911 324 D HA -0.167 4.472 4.640 -0.001 0.000 0.227 324 D C 0.060 176.407 176.300 0.079 0.000 1.164 324 D CA 2.190 56.224 54.000 0.055 0.000 0.782 324 D CB -1.255 39.546 40.800 0.001 0.000 1.094 324 D HN 0.781 nan 8.370 nan 0.000 0.425 325 H N -1.337 117.840 119.070 0.178 0.000 2.946 325 H HA 0.561 5.116 4.556 -0.001 0.000 0.365 325 H C 0.686 176.329 175.328 0.526 0.000 1.197 325 H CA 0.125 56.407 56.048 0.391 0.000 1.131 325 H CB 1.803 31.684 29.762 0.198 0.000 1.849 325 H HN -0.132 nan 8.280 nan 0.000 0.555 326 A N 3.365 126.235 122.820 0.083 0.000 2.121 326 A HA 0.052 4.371 4.320 -0.001 0.000 0.218 326 A C 1.021 178.778 177.584 0.287 0.000 1.154 326 A CA 0.539 52.628 52.037 0.087 0.000 0.679 326 A CB -0.441 18.470 19.000 -0.148 0.000 0.795 326 A HN 0.487 nan 8.150 nan 0.000 0.458 327 I N 0.827 121.714 120.570 0.528 0.000 2.337 327 I HA 0.234 4.403 4.170 -0.001 0.000 0.291 327 I C -0.750 175.501 176.117 0.223 0.000 1.046 327 I CA 0.212 61.726 61.300 0.356 0.000 1.324 327 I CB 0.854 39.044 38.000 0.317 0.000 1.409 327 I HN 0.112 nan 8.210 nan 0.000 0.494 328 I N 9.075 129.722 120.570 0.128 0.000 2.563 328 I HA 0.286 4.455 4.170 -0.001 0.000 0.276 328 I C -2.507 173.626 176.117 0.026 0.000 1.074 328 I CA -1.824 59.543 61.300 0.112 0.000 1.124 328 I CB 1.428 39.560 38.000 0.220 0.000 1.225 328 I HN 0.259 nan 8.210 nan 0.000 0.482 329 P HA 0.231 nan 4.420 nan 0.000 0.281 329 P C -0.202 177.058 177.300 -0.067 0.000 1.252 329 P CA -0.115 62.936 63.100 -0.081 0.000 0.778 329 P CB 1.323 32.967 31.700 -0.094 0.000 0.895 333 G N 1.018 109.895 108.800 0.127 0.000 4.754 333 G HA2 -0.369 3.590 3.960 -0.001 0.000 0.222 333 G HA3 -0.369 3.590 3.960 -0.001 0.000 0.222 333 G C 0.171 175.140 174.900 0.114 0.000 1.377 333 G CA 0.669 45.834 45.100 0.110 0.000 0.942 333 G HN 0.369 nan 8.290 nan 0.000 0.671 334 D N 2.222 122.686 120.400 0.107 0.000 2.343 334 D HA 0.644 5.283 4.640 -0.001 0.000 0.255 334 D C 1.514 177.871 176.300 0.095 0.000 1.187 334 D CA 0.824 54.875 54.000 0.085 0.000 0.875 334 D CB 0.984 41.824 40.800 0.068 0.000 1.136 334 D HN 0.688 nan 8.370 nan 0.000 0.469 335 A N 3.667 126.523 122.820 0.061 0.000 1.940 335 A HA -0.141 4.178 4.320 -0.001 0.000 0.219 335 A C 2.284 179.819 177.584 -0.081 0.000 1.176 335 A CA 1.367 53.397 52.037 -0.012 0.000 0.631 335 A CB -0.503 18.393 19.000 -0.174 0.000 0.814 335 A HN 0.534 nan 8.150 nan 0.000 0.446 336 V N -0.421 119.459 119.914 -0.057 0.000 2.407 336 V HA -0.224 3.896 4.120 -0.001 0.000 0.248 336 V C 2.533 178.644 176.094 0.027 0.000 1.055 336 V CA 1.965 64.241 62.300 -0.041 0.000 1.049 336 V CB -0.703 31.104 31.823 -0.027 0.000 0.662 336 V HN 0.386 nan 8.190 nan 0.000 0.455 337 V N 0.203 120.160 119.914 0.072 0.000 2.427 337 V HA -0.189 3.931 4.120 -0.001 0.000 0.248 337 V C 2.678 178.902 176.094 0.217 0.000 1.051 337 V CA 1.773 64.154 62.300 0.135 0.000 1.048 337 V CB -1.013 30.904 31.823 0.157 0.000 0.666 337 V HN 0.548 nan 8.190 nan 0.000 0.456 338 A N -0.762 122.183 122.820 0.207 0.000 1.902 338 A HA -0.242 4.078 4.320 -0.001 0.000 0.217 338 A C 2.212 179.941 177.584 0.242 0.000 1.181 338 A CA 1.641 53.831 52.037 0.255 0.000 0.623 338 A CB -0.423 18.762 19.000 0.309 0.000 0.818 338 A HN 0.559 nan 8.150 nan 0.000 0.443 339 Q N -0.599 119.301 119.800 0.167 0.000 2.050 339 Q HA -0.219 4.120 4.340 -0.001 0.000 0.202 339 Q C 2.198 178.268 176.000 0.116 0.000 0.980 339 Q CA 1.827 57.707 55.803 0.130 0.000 0.840 339 Q CB -0.314 28.436 28.738 0.020 0.000 0.898 339 Q HN 0.596 nan 8.270 nan 0.000 0.424 340 K N 0.815 121.277 120.400 0.102 0.000 2.057 340 K HA -0.153 4.166 4.320 -0.001 0.000 0.207 340 K C 1.757 178.428 176.600 0.118 0.000 1.049 340 K CA 1.075 57.408 56.287 0.077 0.000 0.931 340 K CB -0.634 31.892 32.500 0.044 0.000 0.714 340 K HN 0.037 nan 8.250 nan 0.000 0.440 341 F N 0.879 120.843 119.950 0.022 0.000 2.095 341 F HA -0.071 4.455 4.527 -0.001 0.000 0.298 341 F C 2.053 177.822 175.800 -0.052 0.000 1.104 341 F CA 1.329 59.330 58.000 0.002 0.000 1.232 341 F CB -0.968 38.062 39.000 0.050 0.000 0.987 341 F HN 0.137 nan 8.300 nan 0.000 0.475 342 A N 0.263 123.232 122.820 0.249 0.000 1.902 342 A HA -0.194 4.125 4.320 -0.001 0.000 0.217 342 A C 2.404 180.005 177.584 0.027 0.000 1.181 342 A CA 1.693 53.780 52.037 0.084 0.000 0.623 342 A CB -0.658 18.375 19.000 0.056 0.000 0.818 342 A HN 0.402 nan 8.150 nan 0.000 0.443 343 R N -0.621 119.904 120.500 0.041 0.000 2.081 343 R HA -0.090 4.250 4.340 -0.001 0.000 0.235 343 R C 1.976 178.281 176.300 0.007 0.000 1.131 343 R CA 1.268 57.374 56.100 0.011 0.000 0.960 343 R CB -0.282 30.029 30.300 0.018 0.000 0.856 343 R HN 0.471 nan 8.270 nan 0.000 0.436 344 E N 0.942 121.148 120.200 0.011 0.000 2.150 344 E HA -0.130 4.220 4.350 -0.001 0.000 0.193 344 E C 2.098 178.690 176.600 -0.015 0.000 0.985 344 E CA 0.830 57.218 56.400 -0.019 0.000 0.814 344 E CB -0.100 29.555 29.700 -0.076 0.000 0.752 344 E HN 0.347 nan 8.360 nan 0.000 0.466 345 L N 0.558 121.781 121.223 0.001 0.000 2.141 345 L HA -0.182 4.157 4.340 -0.001 0.000 0.209 345 L C 2.734 179.600 176.870 -0.007 0.000 1.094 345 L CA 1.022 55.840 54.840 -0.038 0.000 0.763 345 L CB -0.223 41.757 42.059 -0.131 0.000 0.908 345 L HN 0.158 nan 8.230 nan 0.000 0.437 346 Q N 0.362 120.161 119.800 -0.001 0.000 2.167 346 Q HA -0.214 4.125 4.340 -0.001 0.000 0.202 346 Q C 2.023 178.051 176.000 0.047 0.000 0.970 346 Q CA 1.346 57.169 55.803 0.032 0.000 0.855 346 Q CB 0.165 28.910 28.738 0.011 0.000 0.911 346 Q HN 0.386 nan 8.270 nan 0.000 0.438 347 K N 0.027 120.443 120.400 0.027 0.000 2.209 347 K HA -0.106 4.213 4.320 -0.001 0.000 0.204 347 K C 1.270 177.891 176.600 0.035 0.000 1.048 347 K CA 0.904 57.208 56.287 0.028 0.000 0.940 347 K CB 0.203 32.711 32.500 0.013 0.000 0.729 347 K HN 0.189 nan 8.250 nan 0.000 0.451 348 E N -0.391 119.830 120.200 0.035 0.000 2.465 348 E HA 0.035 4.385 4.350 -0.001 0.000 0.191 348 E C 0.871 177.514 176.600 0.073 0.000 1.053 348 E CA 0.364 56.790 56.400 0.045 0.000 0.869 348 E CB 0.794 30.513 29.700 0.032 0.000 0.977 348 E HN 0.469 nan 8.360 nan 0.000 0.483 349 G N 1.359 110.211 108.800 0.086 0.000 2.141 349 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.242 349 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.242 349 G C 0.141 175.139 174.900 0.162 0.000 0.982 349 G CA -0.141 45.032 45.100 0.120 0.000 0.662 349 G HN 0.172 nan 8.290 nan 0.000 0.527 350 I N 0.441 121.101 120.570 0.150 0.000 2.362 350 I HA 0.390 4.559 4.170 -0.001 0.000 0.289 350 I C -0.391 175.851 176.117 0.208 0.000 0.994 350 I CA -1.715 59.712 61.300 0.211 0.000 1.158 350 I CB 1.239 39.314 38.000 0.126 0.000 1.315 350 I HN 0.136 nan 8.210 nan 0.000 0.451 351 Y N 7.915 128.308 120.300 0.156 0.000 2.434 351 Y HA 0.544 5.093 4.550 -0.001 0.000 0.341 351 Y C -0.262 175.727 175.900 0.149 0.000 0.965 351 Y CA -0.584 57.585 58.100 0.115 0.000 1.205 351 Y CB 0.773 39.279 38.460 0.077 0.000 1.121 351 Y HN 0.356 nan 8.280 nan 0.000 0.507 352 V N 1.864 121.763 119.914 -0.025 0.000 3.160 352 V HA 0.794 4.914 4.120 -0.001 0.000 0.310 352 V C -0.609 175.435 176.094 -0.083 0.000 1.181 352 V CA -0.830 61.517 62.300 0.078 0.000 1.047 352 V CB 1.917 33.826 31.823 0.144 0.000 1.068 352 V HN 0.563 nan 8.190 nan 0.000 0.441 353 T N 0.841 115.447 114.554 0.087 0.000 2.893 353 T HA 0.749 5.099 4.350 -0.001 0.000 0.291 353 T C 0.127 174.931 174.700 0.174 0.000 1.028 353 T CA 0.021 62.137 62.100 0.026 0.000 0.995 353 T CB 1.647 70.470 68.868 -0.075 0.000 1.051 353 T HN 1.361 nan 8.240 nan 0.000 0.470 354 G N 0.943 109.813 108.800 0.117 0.000 2.395 354 G HA2 0.573 4.532 3.960 -0.001 0.000 0.283 354 G HA3 0.573 4.532 3.960 -0.001 0.000 0.283 354 G C -1.195 173.721 174.900 0.026 0.000 1.178 354 G CA -0.271 44.996 45.100 0.277 0.000 0.837 354 G HN 0.469 nan 8.290 nan 0.000 0.518 355 F N 1.574 121.503 119.950 -0.036 0.000 2.467 355 F HA 0.693 5.220 4.527 -0.001 0.000 0.336 355 F C 0.027 175.774 175.800 -0.088 0.000 1.123 355 F CA -0.845 57.002 58.000 -0.255 0.000 0.964 355 F CB 1.641 40.580 39.000 -0.102 0.000 1.136 355 F HN 0.533 nan 8.300 nan 0.000 0.447 356 F N 0.117 120.173 119.950 0.177 0.000 2.831 356 F HA 0.454 4.980 4.527 -0.001 0.000 0.318 356 F C -1.098 174.792 175.800 0.151 0.000 1.174 356 F CA -2.107 55.992 58.000 0.165 0.000 0.918 356 F CB 0.362 39.446 39.000 0.141 0.000 1.364 356 F HN 0.301 nan 8.300 nan 0.000 0.475 357 Y N 4.179 124.667 120.300 0.314 0.000 2.987 357 Y HA 0.107 4.656 4.550 -0.001 0.000 0.339 357 Y C -1.572 174.430 175.900 0.169 0.000 1.272 357 Y CA -0.774 57.438 58.100 0.186 0.000 1.562 357 Y CB 0.637 39.193 38.460 0.160 0.000 1.253 357 Y HN 0.385 nan 8.280 nan 0.000 0.604 358 P HA -0.046 nan 4.420 nan 0.000 0.262 358 P C 1.007 178.130 177.300 -0.296 0.000 1.304 358 P CA 0.925 63.531 63.100 -0.823 0.000 0.859 358 P CB -0.107 31.024 31.700 -0.948 0.000 1.310 359 V N -1.001 118.820 119.914 -0.155 0.000 2.626 359 V HA -0.004 4.115 4.120 -0.001 0.000 0.252 359 V C 0.935 177.050 176.094 0.035 0.000 1.067 359 V CA 1.191 63.458 62.300 -0.055 0.000 1.081 359 V CB -1.081 30.715 31.823 -0.045 0.000 0.686 359 V HN 0.052 nan 8.190 nan 0.000 0.468 360 V N -5.675 114.284 119.914 0.074 0.000 3.114 360 V HA 0.722 4.841 4.120 -0.001 0.000 0.308 360 V C -3.085 173.120 176.094 0.185 0.000 1.168 360 V CA -2.738 59.633 62.300 0.118 0.000 1.015 360 V CB 1.251 33.157 31.823 0.139 0.000 1.050 360 V HN 0.082 nan 8.190 nan 0.000 0.433 361 P HA 0.174 nan 4.420 nan 0.000 0.268 361 P C -0.602 176.831 177.300 0.221 0.000 1.208 361 P CA -0.021 63.208 63.100 0.215 0.000 0.777 361 P CB 0.275 32.048 31.700 0.121 0.000 0.875 362 K N 1.348 121.855 120.400 0.177 0.000 2.448 362 K HA 0.276 4.595 4.320 -0.001 0.000 0.278 362 K C 1.284 177.927 176.600 0.071 0.000 1.009 362 K CA 0.889 57.226 56.287 0.083 0.000 0.995 362 K CB -0.345 32.100 32.500 -0.093 0.000 0.917 362 K HN 0.836 nan 8.250 nan 0.000 0.481 363 G N 2.201 111.049 108.800 0.080 0.000 2.176 363 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.253 363 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.253 363 G C 0.288 175.239 174.900 0.086 0.000 0.979 363 G CA 0.055 45.196 45.100 0.067 0.000 0.641 363 G HN 0.660 nan 8.290 nan 0.000 0.530 364 Q N -0.021 119.847 119.800 0.113 0.000 2.129 364 Q HA 0.636 4.975 4.340 -0.001 0.000 0.274 364 Q C 0.901 176.987 176.000 0.143 0.000 0.854 364 Q CA 0.147 56.016 55.803 0.109 0.000 1.123 364 Q CB 1.213 30.006 28.738 0.091 0.000 1.226 364 Q HN 0.773 nan 8.270 nan 0.000 0.454 365 A N 2.223 125.152 122.820 0.181 0.000 2.448 365 A HA 0.427 4.747 4.320 -0.001 0.000 0.239 365 A C 0.411 178.109 177.584 0.189 0.000 1.080 365 A CA 0.278 52.462 52.037 0.243 0.000 0.779 365 A CB 0.274 19.445 19.000 0.285 0.000 1.026 365 A HN 0.531 nan 8.150 nan 0.000 0.499 366 R N -0.099 120.527 120.500 0.210 0.000 2.741 366 R HA 0.607 4.947 4.340 -0.001 0.000 0.274 366 R C -1.988 174.402 176.300 0.150 0.000 1.029 366 R CA -0.898 55.274 56.100 0.120 0.000 0.880 366 R CB 0.879 31.195 30.300 0.027 0.000 1.264 366 R HN 0.444 nan 8.270 nan 0.000 0.465 367 I N 1.757 122.357 120.570 0.050 0.000 2.390 367 I HA 0.345 4.514 4.170 -0.001 0.000 0.283 367 I C -0.062 176.016 176.117 -0.065 0.000 1.016 367 I CA -0.762 60.592 61.300 0.090 0.000 1.151 367 I CB 1.579 39.607 38.000 0.046 0.000 1.293 367 I HN 0.461 nan 8.210 nan 0.000 0.458 368 R N 5.617 125.925 120.500 -0.320 0.000 2.248 368 R HA 0.241 4.580 4.340 -0.001 0.000 0.337 368 R C 0.008 176.229 176.300 -0.132 0.000 1.085 368 R CA -0.181 55.659 56.100 -0.433 0.000 0.934 368 R CB 0.599 30.274 30.300 -1.042 0.000 1.034 368 R HN 0.681 nan 8.270 nan 0.000 0.465 369 T N 1.050 115.568 114.554 -0.060 0.000 2.918 369 T HA 0.365 4.714 4.350 -0.001 0.000 0.283 369 T C 0.013 174.708 174.700 -0.008 0.000 1.001 369 T CA -0.597 61.485 62.100 -0.029 0.000 1.041 369 T CB 1.942 70.676 68.868 -0.223 0.000 1.028 369 T HN 0.631 nan 8.240 nan 0.000 0.511 373 A N 2.403 125.091 122.820 -0.221 0.000 2.070 373 A HA 0.260 4.580 4.320 -0.001 0.000 0.220 373 A C 2.092 179.593 177.584 -0.138 0.000 1.159 373 A CA 2.021 53.964 52.037 -0.156 0.000 0.656 373 A CB -1.049 17.867 19.000 -0.139 0.000 0.800 373 A HN 1.539 nan 8.150 nan 0.000 0.453 374 A N -1.056 121.623 122.820 -0.234 0.000 2.119 374 A HA 0.064 4.384 4.320 -0.001 0.000 0.216 374 A C 0.965 178.423 177.584 -0.210 0.000 1.152 374 A CA 0.036 51.934 52.037 -0.231 0.000 0.708 374 A CB -0.500 18.322 19.000 -0.296 0.000 0.805 374 A HN 0.576 nan 8.150 nan 0.000 0.460 375 H N 0.941 119.939 119.070 -0.120 0.000 2.790 375 H HA 0.273 4.828 4.556 -0.001 0.000 0.358 375 H C 0.619 175.939 175.328 -0.012 0.000 1.103 375 H CA 1.140 57.132 56.048 -0.093 0.000 1.426 375 H CB 0.618 30.343 29.762 -0.062 0.000 1.424 375 H HN 0.387 nan 8.280 nan 0.000 0.599 376 T N -0.526 114.127 114.554 0.165 0.000 2.945 376 T HA 0.220 4.570 4.350 -0.001 0.000 0.286 376 T C -1.932 172.852 174.700 0.140 0.000 1.025 376 T CA -2.173 59.997 62.100 0.116 0.000 1.039 376 T CB 1.935 70.853 68.868 0.084 0.000 1.068 376 T HN 0.142 nan 8.240 nan 0.000 0.497 377 P HA -0.089 nan 4.420 nan 0.000 0.218 377 P C 1.400 178.770 177.300 0.117 0.000 1.148 377 P CA 0.872 64.040 63.100 0.113 0.000 0.822 377 P CB 0.168 31.921 31.700 0.089 0.000 0.784 378 E N -0.085 120.178 120.200 0.106 0.000 2.072 378 E HA -0.187 4.162 4.350 -0.001 0.000 0.191 378 E C 2.031 178.712 176.600 0.135 0.000 0.985 378 E CA 1.491 57.953 56.400 0.103 0.000 0.801 378 E CB -0.745 29.004 29.700 0.082 0.000 0.750 378 E HN 0.242 nan 8.360 nan 0.000 0.452 379 Q N -0.257 119.644 119.800 0.168 0.000 2.084 379 Q HA -0.105 4.234 4.340 -0.001 0.000 0.202 379 Q C 2.325 178.513 176.000 0.314 0.000 0.978 379 Q CA 1.562 57.512 55.803 0.245 0.000 0.844 379 Q CB -0.135 28.757 28.738 0.258 0.000 0.898 379 Q HN 0.389 nan 8.270 nan 0.000 0.426 380 I N 0.137 120.865 120.570 0.263 0.000 2.252 380 I HA -0.244 3.926 4.170 -0.001 0.000 0.245 380 I C 2.118 178.317 176.117 0.136 0.000 1.102 380 I CA 1.090 62.492 61.300 0.170 0.000 1.385 380 I CB -0.293 37.816 38.000 0.181 0.000 1.064 380 I HN 0.190 nan 8.210 nan 0.000 0.414 381 T N 0.515 115.149 114.554 0.132 0.000 2.746 381 T HA -0.113 4.237 4.350 -0.001 0.000 0.267 381 T C 2.042 176.810 174.700 0.112 0.000 1.039 381 T CA 0.961 63.125 62.100 0.107 0.000 1.142 381 T CB -0.135 68.788 68.868 0.091 0.000 0.866 381 T HN 0.194 nan 8.240 nan 0.000 0.444 382 R N 1.452 122.028 120.500 0.127 0.000 2.081 382 R HA 0.088 4.427 4.340 -0.001 0.000 0.235 382 R C 2.743 179.129 176.300 0.143 0.000 1.131 382 R CA 1.440 57.619 56.100 0.131 0.000 0.960 382 R CB -1.277 29.112 30.300 0.149 0.000 0.856 382 R HN 0.458 nan 8.270 nan 0.000 0.436 383 A N 0.812 123.709 122.820 0.128 0.000 1.865 383 A HA -0.125 4.195 4.320 -0.001 0.000 0.217 383 A C 2.526 180.287 177.584 0.295 0.000 1.191 383 A CA 1.833 53.938 52.037 0.113 0.000 0.623 383 A CB -0.729 18.053 19.000 -0.363 0.000 0.826 383 A HN 0.106 nan 8.150 nan 0.000 0.444 384 V N 0.224 120.258 119.914 0.200 0.000 2.392 384 V HA -0.291 3.828 4.120 -0.001 0.000 0.249 384 V C 2.392 178.606 176.094 0.200 0.000 1.059 384 V CA 2.357 64.736 62.300 0.131 0.000 1.051 384 V CB -0.940 30.890 31.823 0.012 0.000 0.658 384 V HN 0.648 nan 8.190 nan 0.000 0.455 385 E N 0.238 120.537 120.200 0.165 0.000 2.106 385 E HA -0.157 4.192 4.350 -0.001 0.000 0.192 385 E C 2.335 179.039 176.600 0.174 0.000 0.984 385 E CA 1.239 57.729 56.400 0.149 0.000 0.806 385 E CB -0.319 29.447 29.700 0.110 0.000 0.750 385 E HN 0.618 nan 8.360 nan 0.000 0.458 386 A N 0.812 123.740 122.820 0.180 0.000 1.873 386 A HA -0.150 4.169 4.320 -0.001 0.000 0.215 386 A C 1.906 179.607 177.584 0.195 0.000 1.186 386 A CA 1.000 53.120 52.037 0.138 0.000 0.616 386 A CB -0.775 18.276 19.000 0.086 0.000 0.823 386 A HN 0.164 nan 8.150 nan 0.000 0.442 387 F N 0.905 120.967 119.950 0.188 0.000 2.095 387 F HA -0.194 4.332 4.527 -0.001 0.000 0.298 387 F C 2.829 178.936 175.800 0.511 0.000 1.104 387 F CA 2.168 60.348 58.000 0.300 0.000 1.232 387 F CB -0.752 38.213 39.000 -0.057 0.000 0.987 387 F HN 0.172 nan 8.300 nan 0.000 0.475 388 T N -0.368 114.545 114.554 0.599 0.000 2.652 388 T HA -0.254 4.095 4.350 -0.001 0.000 0.267 388 T C 2.082 176.929 174.700 0.247 0.000 1.039 388 T CA 1.611 63.982 62.100 0.452 0.000 1.153 388 T CB -0.363 68.667 68.868 0.269 0.000 0.863 388 T HN 0.188 nan 8.240 nan 0.000 0.428 389 R N 0.560 121.164 120.500 0.172 0.000 2.080 389 R HA -0.102 4.238 4.340 -0.001 0.000 0.236 389 R C 2.277 178.588 176.300 0.017 0.000 1.137 389 R CA 1.566 57.711 56.100 0.076 0.000 0.943 389 R CB -0.349 29.988 30.300 0.061 0.000 0.846 389 R HN 0.267 nan 8.270 nan 0.000 0.431 390 I N 0.572 121.136 120.570 -0.010 0.000 2.252 390 I HA -0.111 4.059 4.170 -0.001 0.000 0.245 390 I C 2.519 178.434 176.117 -0.337 0.000 1.102 390 I CA 1.551 62.716 61.300 -0.226 0.000 1.385 390 I CB -1.778 35.994 38.000 -0.379 0.000 1.064 390 I HN 0.429 nan 8.210 nan 0.000 0.414 391 G N 1.129 109.894 108.800 -0.058 0.000 2.442 391 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.219 391 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.219 391 G C 1.852 176.745 174.900 -0.012 0.000 1.141 391 G CA 0.609 45.778 45.100 0.115 0.000 0.763 391 G HN 0.353 nan 8.290 nan 0.000 0.554 392 K N -0.125 120.265 120.400 -0.017 0.000 2.062 392 K HA -0.023 4.296 4.320 -0.001 0.000 0.205 392 K C 2.731 179.298 176.600 -0.054 0.000 1.051 392 K CA 1.111 57.374 56.287 -0.040 0.000 0.941 392 K CB -0.166 32.319 32.500 -0.025 0.000 0.719 392 K HN 0.309 nan 8.250 nan 0.000 0.440 393 Q N 0.490 120.245 119.800 -0.074 0.000 2.124 393 Q HA -0.098 4.242 4.340 -0.001 0.000 0.202 393 Q C 1.836 177.781 176.000 -0.092 0.000 0.977 393 Q CA 1.130 56.884 55.803 -0.081 0.000 0.850 393 Q CB 0.031 28.711 28.738 -0.096 0.000 0.901 393 Q HN 0.302 nan 8.270 nan 0.000 0.429 394 L N -1.522 119.621 121.223 -0.133 0.000 2.509 394 L HA 0.162 4.501 4.340 -0.001 0.000 0.222 394 L C 1.183 178.028 176.870 -0.042 0.000 1.123 394 L CA 0.429 55.204 54.840 -0.108 0.000 0.856 394 L CB 0.093 42.038 42.059 -0.191 0.000 0.985 394 L HN 0.423 nan 8.230 nan 0.000 0.456 395 G N -0.283 108.496 108.800 -0.035 0.000 2.143 395 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.249 395 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.249 395 G C 0.738 175.647 174.900 0.015 0.000 0.981 395 G CA 0.374 45.467 45.100 -0.013 0.000 0.665 395 G HN 0.121 nan 8.290 nan 0.000 0.528 396 V N 0.482 120.428 119.914 0.052 0.000 2.548 396 V HA 0.166 4.285 4.120 -0.001 0.000 0.249 396 V C 1.575 177.680 176.094 0.018 0.000 1.055 396 V CA 2.182 64.558 62.300 0.126 0.000 1.065 396 V CB -0.427 31.614 31.823 0.363 0.000 0.681 396 V HN 0.798 nan 8.190 nan 0.000 0.462 397 I N -3.372 117.152 120.570 -0.076 0.000 3.042 397 I HA 0.869 5.038 4.170 -0.001 0.000 0.310 397 I C -0.101 175.942 176.117 -0.124 0.000 1.117 397 I CA -1.129 60.057 61.300 -0.190 0.000 1.003 397 I CB 1.855 39.569 38.000 -0.477 0.000 1.228 397 I HN -0.090 nan 8.210 nan 0.000 0.443 398 A N 0.000 122.751 122.820 -0.116 0.000 2.254 398 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 398 A CA 0.000 51.992 52.037 -0.076 0.000 0.836 398 A CB 0.000 18.964 19.000 -0.061 0.000 0.831 398 A HN 0.000 nan 8.150 nan 0.000 0.486