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 3i6t_1_D DATA FIRST_RESID 6 DATA SEQUENCE QIIAGFTLWH LSLPVTXXXX XXXXXXXGAV EVVVLRLQAD SGAVGYGEAS DATA SEQUENCE PWVVFTGSVE ATYAALDRYL RPLVLGRAVG DHAAIMEDAR AAVAHCTEAK DATA SEQUENCE AALDTALYDL RARIAGVPVW ALLGGRCRDR IPLSCSIADP DFDKDLALMQ DATA SEQUENCE RLQDDDVRII KLKTGFKDHA FDMMRLERLR ADFPAFDIRV DYNQGLHHDV DATA SEQUENCE ALARVRDVAT FKPTFIEQPV KAHLRGLMAR IRDAVDVPLL ADESIFGPED DATA SEQUENCE MAEHPEIADG VSIKIMKSGG LTRAQTVARM AAARGLSAYG GDMFEAGLAH DATA SEQUENCE LAGAHMIAAT PEITLGCEFY QATYFLCDDI LAAPFPVADG HVLVPDTPGL DATA SEQUENCE GVDVDEDALA RFAV 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 6 Q HA 0.000 nan 4.340 nan 0.000 0.214 6 Q C 0.000 175.990 176.000 -0.017 0.000 1.003 6 Q CA 0.000 55.794 55.803 -0.014 0.000 1.022 6 Q CB 0.000 28.727 28.738 -0.018 0.000 1.108 7 I N -1.159 119.401 120.570 -0.016 0.000 2.577 7 I HA 0.540 4.710 4.170 -0.000 0.000 0.300 7 I C -0.395 175.711 176.117 -0.018 0.000 0.990 7 I CA -0.843 60.448 61.300 -0.016 0.000 1.283 7 I CB 0.810 38.802 38.000 -0.014 0.000 1.411 7 I HN 0.555 nan 8.210 nan 0.000 0.515 8 I N 5.269 125.830 120.570 -0.016 0.000 2.363 8 I HA 0.191 4.361 4.170 -0.000 0.000 0.292 8 I C 1.058 177.175 176.117 -0.000 0.000 1.075 8 I CA 0.064 61.358 61.300 -0.010 0.000 1.333 8 I CB 1.393 39.394 38.000 0.002 0.000 1.415 8 I HN 0.874 nan 8.210 nan 0.000 0.502 9 A N 5.192 128.010 122.820 -0.003 0.000 2.140 9 A HA 0.471 4.790 4.320 -0.000 0.000 0.209 9 A C 0.995 178.584 177.584 0.009 0.000 1.181 9 A CA 0.402 52.437 52.037 -0.002 0.000 0.824 9 A CB 0.262 19.257 19.000 -0.009 0.000 0.879 9 A HN 0.720 nan 8.150 nan 0.000 0.480 10 G N -1.517 107.294 108.800 0.017 0.000 2.620 10 G HA2 0.530 4.490 3.960 -0.000 0.000 0.301 10 G HA3 0.530 4.490 3.960 -0.000 0.000 0.301 10 G C -1.558 173.394 174.900 0.088 0.000 1.347 10 G CA -0.528 44.593 45.100 0.035 0.000 0.971 10 G HN 0.283 nan 8.290 nan 0.000 0.488 11 F N 1.681 121.578 119.950 -0.088 0.000 2.730 11 F HA 0.576 5.103 4.527 -0.000 0.000 0.335 11 F C -0.612 175.110 175.800 -0.130 0.000 1.212 11 F CA -0.387 57.554 58.000 -0.098 0.000 1.016 11 F CB 1.999 40.941 39.000 -0.096 0.000 1.290 11 F HN 0.467 nan 8.300 nan 0.000 0.495 12 T N 6.718 121.167 114.554 -0.174 0.000 2.886 12 T HA 0.607 4.956 4.350 -0.000 0.000 0.292 12 T C -0.842 173.649 174.700 -0.349 0.000 1.012 12 T CA -0.602 61.336 62.100 -0.271 0.000 0.982 12 T CB 1.904 70.541 68.868 -0.386 0.000 1.018 12 T HN 0.411 nan 8.240 nan 0.000 0.451 13 L N 2.281 123.287 121.223 -0.362 0.000 2.346 13 L HA 0.623 4.963 4.340 -0.000 0.000 0.274 13 L C -0.767 175.997 176.870 -0.177 0.000 1.007 13 L CA -0.897 53.854 54.840 -0.149 0.000 0.818 13 L CB 1.780 43.738 42.059 -0.168 0.000 1.284 13 L HN 0.472 nan 8.230 nan 0.000 0.424 14 W N 1.817 123.225 121.300 0.180 0.000 2.600 14 W HA 0.315 4.975 4.660 -0.001 0.000 0.325 14 W C -0.337 176.374 176.519 0.321 0.000 1.034 14 W CA -0.697 56.788 57.345 0.234 0.000 1.226 14 W CB 1.565 31.120 29.460 0.158 0.000 1.379 14 W HN 0.578 nan 8.180 nan 0.000 0.466 15 H N 3.866 123.178 119.070 0.403 0.000 2.723 15 H HA 0.418 4.974 4.556 -0.000 0.000 0.294 15 H C -0.680 174.771 175.328 0.205 0.000 1.079 15 H CA -0.182 56.019 56.048 0.256 0.000 1.411 15 H CB 0.646 30.430 29.762 0.036 0.000 1.439 15 H HN 0.276 nan 8.280 nan 0.000 0.474 16 L N 3.798 125.282 121.223 0.435 0.000 2.331 16 L HA 0.299 4.639 4.340 -0.000 0.000 0.275 16 L C 0.072 177.044 176.870 0.170 0.000 1.022 16 L CA -0.767 54.220 54.840 0.246 0.000 0.812 16 L CB 1.915 44.079 42.059 0.175 0.000 1.257 16 L HN 0.485 nan 8.230 nan 0.000 0.435 17 S N 3.037 118.791 115.700 0.091 0.000 2.530 17 S HA 0.647 5.117 4.470 -0.000 0.000 0.322 17 S C -0.827 173.756 174.600 -0.029 0.000 1.085 17 S CA -0.559 57.659 58.200 0.030 0.000 1.096 17 S CB 0.403 63.607 63.200 0.007 0.000 0.988 17 S HN 0.440 nan 8.310 nan 0.000 0.466 18 L N 6.593 127.719 121.223 -0.163 0.000 2.298 18 L HA 0.486 4.826 4.340 -0.000 0.000 0.284 18 L C -2.334 174.352 176.870 -0.306 0.000 1.013 18 L CA -2.228 52.371 54.840 -0.402 0.000 0.824 18 L CB 1.696 43.491 42.059 -0.440 0.000 1.221 18 L HN 0.425 nan 8.230 nan 0.000 0.418 19 P HA 0.110 nan 4.420 nan 0.000 0.269 19 P C -0.790 176.330 177.300 -0.301 0.000 1.215 19 P CA -0.203 62.771 63.100 -0.210 0.000 0.780 19 P CB 1.056 32.694 31.700 -0.104 0.000 0.898 20 V N -0.993 118.704 119.914 -0.361 0.000 3.074 20 V HA 0.820 4.940 4.120 -0.000 0.000 0.314 20 V C -0.001 175.839 176.094 -0.424 0.000 1.117 20 V CA -0.730 61.222 62.300 -0.580 0.000 1.014 20 V CB 1.550 32.679 31.823 -1.156 0.000 1.057 20 V HN 0.638 nan 8.190 nan 0.000 0.438 34 A N -0.356 122.379 122.820 -0.140 0.000 2.604 34 A HA 0.802 5.121 4.320 -0.000 0.000 0.295 34 A C -1.103 176.400 177.584 -0.136 0.000 1.067 34 A CA -0.039 51.908 52.037 -0.149 0.000 0.683 34 A CB 1.389 20.334 19.000 -0.093 0.000 1.281 34 A HN 1.635 nan 8.150 nan 0.000 0.407 35 V N -1.041 118.793 119.914 -0.134 0.000 2.628 35 V HA 0.804 4.923 4.120 -0.000 0.000 0.306 35 V C -0.499 175.577 176.094 -0.030 0.000 1.045 35 V CA -0.638 61.610 62.300 -0.086 0.000 0.905 35 V CB 1.502 33.288 31.823 -0.063 0.000 0.997 35 V HN 0.857 nan 8.190 nan 0.000 0.436 36 E N 2.838 123.057 120.200 0.032 0.000 2.175 36 E HA 0.691 5.041 4.350 -0.000 0.000 0.278 36 E C -0.551 176.109 176.600 0.100 0.000 0.969 36 E CA -0.675 55.794 56.400 0.116 0.000 0.796 36 E CB 2.289 32.123 29.700 0.223 0.000 1.104 36 E HN 0.938 nan 8.360 nan 0.000 0.395 37 V N -0.619 119.367 119.914 0.120 0.000 3.160 37 V HA 0.690 4.809 4.120 -0.000 0.000 0.310 37 V C -0.780 175.397 176.094 0.139 0.000 1.181 37 V CA -0.872 61.479 62.300 0.084 0.000 1.047 37 V CB 1.986 33.823 31.823 0.024 0.000 1.068 37 V HN 0.364 nan 8.190 nan 0.000 0.441 38 V N 1.194 121.179 119.914 0.118 0.000 2.540 38 V HA 0.665 4.785 4.120 -0.000 0.000 0.302 38 V C -0.394 175.793 176.094 0.156 0.000 1.035 38 V CA -0.491 61.918 62.300 0.182 0.000 0.873 38 V CB 1.728 33.648 31.823 0.161 0.000 0.992 38 V HN 0.807 nan 8.190 nan 0.000 0.428 39 V N 5.484 125.542 119.914 0.240 0.000 2.513 39 V HA 0.540 4.660 4.120 -0.000 0.000 0.299 39 V C -0.536 175.754 176.094 0.326 0.000 1.035 39 V CA -0.632 61.802 62.300 0.223 0.000 0.889 39 V CB 1.799 33.705 31.823 0.139 0.000 0.988 39 V HN 0.674 nan 8.190 nan 0.000 0.440 40 L N 5.422 126.749 121.223 0.172 0.000 2.322 40 L HA 0.669 5.008 4.340 -0.000 0.000 0.281 40 L C -0.299 176.604 176.870 0.056 0.000 1.014 40 L CA -0.179 54.672 54.840 0.018 0.000 0.815 40 L CB 1.417 43.345 42.059 -0.219 0.000 1.247 40 L HN 0.691 nan 8.230 nan 0.000 0.421 41 R N 5.269 125.790 120.500 0.036 0.000 2.437 41 R HA 0.633 4.973 4.340 -0.000 0.000 0.310 41 R C -1.675 174.441 176.300 -0.308 0.000 0.955 41 R CA -0.661 55.312 56.100 -0.212 0.000 0.851 41 R CB 1.027 31.315 30.300 -0.019 0.000 1.161 41 R HN 0.771 nan 8.270 nan 0.000 0.446 42 L N 3.605 124.623 121.223 -0.341 0.000 2.309 42 L HA 0.432 4.772 4.340 -0.000 0.000 0.282 42 L C -0.225 176.527 176.870 -0.196 0.000 1.036 42 L CA -0.599 54.095 54.840 -0.243 0.000 0.806 42 L CB 1.887 43.820 42.059 -0.210 0.000 1.220 42 L HN 0.570 nan 8.230 nan 0.000 0.429 43 Q N 2.035 121.768 119.800 -0.112 0.000 2.330 43 Q HA 0.652 4.992 4.340 -0.000 0.000 0.269 43 Q C -0.893 175.076 176.000 -0.053 0.000 1.022 43 Q CA -0.599 55.155 55.803 -0.082 0.000 0.796 43 Q CB 2.294 31.001 28.738 -0.051 0.000 1.271 43 Q HN 0.779 nan 8.270 nan 0.000 0.450 44 A N 2.408 125.197 122.820 -0.052 0.000 2.272 44 A HA 0.165 4.485 4.320 -0.000 0.000 0.275 44 A C 0.520 178.090 177.584 -0.024 0.000 1.096 44 A CA 0.077 52.092 52.037 -0.036 0.000 0.822 44 A CB 0.283 19.260 19.000 -0.037 0.000 1.088 44 A HN 0.994 nan 8.150 nan 0.000 0.495 45 D N 0.115 120.503 120.400 -0.019 0.000 2.218 45 D HA -0.184 4.455 4.640 -0.000 0.000 0.204 45 D C 1.623 177.915 176.300 -0.012 0.000 0.976 45 D CA 1.729 55.720 54.000 -0.014 0.000 0.853 45 D CB -0.667 40.126 40.800 -0.012 0.000 0.939 45 D HN 0.474 nan 8.370 nan 0.000 0.481 46 S N -1.312 114.380 115.700 -0.013 0.000 2.515 46 S HA 0.214 4.684 4.470 -0.000 0.000 0.231 46 S C 1.964 176.558 174.600 -0.010 0.000 0.987 46 S CA 0.732 58.926 58.200 -0.011 0.000 0.936 46 S CB -0.497 62.696 63.200 -0.012 0.000 0.766 46 S HN 0.685 nan 8.310 nan 0.000 0.528 47 G N 0.701 109.493 108.800 -0.012 0.000 2.217 47 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.246 47 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.246 47 G C 0.337 175.228 174.900 -0.016 0.000 0.990 47 G CA -0.009 45.085 45.100 -0.010 0.000 0.627 47 G HN 1.362 nan 8.290 nan 0.000 0.522 48 A N -0.149 122.659 122.820 -0.021 0.000 2.483 48 A HA 0.659 4.979 4.320 -0.000 0.000 0.238 48 A C 0.782 178.334 177.584 -0.054 0.000 1.070 48 A CA 0.830 52.851 52.037 -0.027 0.000 0.770 48 A CB 0.523 19.507 19.000 -0.026 0.000 1.008 48 A HN 1.977 nan 8.150 nan 0.000 0.497 49 V N -0.697 119.178 119.914 -0.065 0.000 3.001 49 V HA 1.000 5.119 4.120 -0.000 0.000 0.314 49 V C 0.086 176.076 176.094 -0.173 0.000 1.099 49 V CA -0.053 62.154 62.300 -0.155 0.000 0.989 49 V CB 1.630 33.334 31.823 -0.199 0.000 1.040 49 V HN 1.662 nan 8.190 nan 0.000 0.434 50 G N 0.955 109.567 108.800 -0.313 0.000 2.706 50 G HA2 0.713 4.673 3.960 -0.000 0.000 0.297 50 G HA3 0.713 4.673 3.960 -0.000 0.000 0.297 50 G C -2.203 172.466 174.900 -0.386 0.000 1.403 50 G CA -0.657 44.314 45.100 -0.214 0.000 0.954 50 G HN 0.719 nan 8.290 nan 0.000 0.500 51 Y N -0.372 119.898 120.300 -0.050 0.000 2.524 51 Y HA 0.786 5.336 4.550 -0.000 0.000 0.344 51 Y C 0.699 176.568 175.900 -0.052 0.000 1.012 51 Y CA -0.522 57.547 58.100 -0.053 0.000 1.068 51 Y CB 2.952 41.372 38.460 -0.067 0.000 1.249 51 Y HN 0.836 nan 8.280 nan 0.000 0.468 52 G N 0.693 109.561 108.800 0.114 0.000 2.696 52 G HA2 0.538 4.497 3.960 -0.000 0.000 0.295 52 G HA3 0.538 4.497 3.960 -0.000 0.000 0.295 52 G C -2.102 172.823 174.900 0.040 0.000 1.398 52 G CA -0.799 44.331 45.100 0.050 0.000 0.920 52 G HN 0.517 nan 8.290 nan 0.000 0.492 53 E N 0.124 120.330 120.200 0.010 0.000 2.222 53 E HA 0.667 5.017 4.350 -0.000 0.000 0.267 53 E C -0.665 175.936 176.600 0.000 0.000 0.884 53 E CA -0.976 55.421 56.400 -0.004 0.000 0.764 53 E CB 1.991 31.655 29.700 -0.060 0.000 1.169 53 E HN 0.701 nan 8.360 nan 0.000 0.413 54 A N 2.611 125.442 122.820 0.018 0.000 2.318 54 A HA 0.534 4.854 4.320 -0.000 0.000 0.317 54 A C -0.876 176.721 177.584 0.022 0.000 1.159 54 A CA -0.671 51.381 52.037 0.026 0.000 0.799 54 A CB 1.450 20.479 19.000 0.049 0.000 1.194 54 A HN 0.458 nan 8.150 nan 0.000 0.479 55 S N 4.033 119.739 115.700 0.009 0.000 2.130 55 S HA 0.413 4.882 4.470 -0.000 0.000 0.165 55 S C -2.895 171.727 174.600 0.036 0.000 1.677 55 S CA -0.866 57.339 58.200 0.008 0.000 1.227 55 S CB 0.395 63.573 63.200 -0.036 0.000 1.115 55 S HN 0.575 nan 8.310 nan 0.000 0.452 56 P HA 0.262 nan 4.420 nan 0.000 0.275 56 P C -0.902 176.542 177.300 0.239 0.000 1.227 56 P CA -0.351 62.827 63.100 0.129 0.000 0.781 56 P CB 0.469 32.246 31.700 0.128 0.000 0.906 57 W N 4.578 125.901 121.300 0.039 0.000 2.424 57 W HA 0.246 4.906 4.660 -0.000 0.000 0.318 57 W C 0.840 177.452 176.519 0.155 0.000 1.016 57 W CA -0.950 56.467 57.345 0.120 0.000 1.268 57 W CB 1.104 30.657 29.460 0.154 0.000 1.297 57 W HN 0.134 nan 8.180 nan 0.000 0.428 58 V N 6.784 126.959 119.914 0.434 0.000 2.392 58 V HA -0.243 3.877 4.120 -0.000 0.000 0.249 58 V C 1.687 177.821 176.094 0.067 0.000 1.059 58 V CA 3.428 65.851 62.300 0.204 0.000 1.051 58 V CB -0.394 31.544 31.823 0.191 0.000 0.658 58 V HN 0.521 nan 8.190 nan 0.000 0.455 59 V N -3.123 116.723 119.914 -0.114 0.000 3.306 59 V HA 0.034 4.153 4.120 -0.000 0.000 0.264 59 V C 1.866 177.889 176.094 -0.119 0.000 1.149 59 V CA 1.831 64.019 62.300 -0.187 0.000 1.143 59 V CB -0.241 31.387 31.823 -0.325 0.000 0.767 59 V HN 0.516 nan 8.190 nan 0.000 0.476 60 F N 2.373 122.178 119.950 -0.242 0.000 2.282 60 F HA 0.232 4.759 4.527 -0.001 0.000 0.255 60 F C 2.294 178.181 175.800 0.145 0.000 0.959 60 F CA 1.767 59.718 58.000 -0.081 0.000 1.170 60 F CB -0.047 38.865 39.000 -0.147 0.000 1.376 60 F HN 0.203 nan 8.300 nan 0.000 0.709 61 T N -1.176 113.669 114.554 0.485 0.000 3.044 61 T HA 0.555 4.904 4.350 -0.000 0.000 0.255 61 T C 0.997 175.848 174.700 0.252 0.000 1.073 61 T CA 0.595 62.938 62.100 0.404 0.000 1.125 61 T CB -0.040 68.923 68.868 0.158 0.000 0.908 61 T HN 0.912 nan 8.240 nan 0.000 0.480 62 G N 1.055 109.969 108.800 0.190 0.000 2.347 62 G HA2 0.326 4.285 3.960 -0.000 0.000 0.477 62 G HA3 0.326 4.285 3.960 -0.000 0.000 0.477 62 G C -0.517 174.468 174.900 0.142 0.000 1.349 62 G CA -0.454 44.722 45.100 0.127 0.000 1.000 62 G HN 0.935 nan 8.290 nan 0.000 0.605 63 S N -1.098 114.672 115.700 0.118 0.000 2.614 63 S HA 0.482 4.952 4.470 -0.000 0.000 0.265 63 S C 1.538 176.203 174.600 0.108 0.000 1.303 63 S CA 0.387 58.659 58.200 0.121 0.000 1.000 63 S CB 1.647 64.908 63.200 0.102 0.000 0.935 63 S HN 2.034 nan 8.310 nan 0.000 0.551 64 V N 1.404 121.370 119.914 0.088 0.000 2.515 64 V HA -0.106 4.014 4.120 -0.000 0.000 0.250 64 V C 2.232 178.328 176.094 0.005 0.000 1.058 64 V CA 2.345 64.658 62.300 0.021 0.000 1.064 64 V CB -1.130 30.666 31.823 -0.044 0.000 0.675 64 V HN 0.959 nan 8.190 nan 0.000 0.461 65 E N 0.659 120.884 120.200 0.041 0.000 2.077 65 E HA -0.094 4.255 4.350 -0.000 0.000 0.193 65 E C 2.272 178.957 176.600 0.142 0.000 0.989 65 E CA 1.525 57.972 56.400 0.078 0.000 0.800 65 E CB -0.637 29.112 29.700 0.081 0.000 0.746 65 E HN 0.691 nan 8.360 nan 0.000 0.452 66 A N 0.204 123.099 122.820 0.125 0.000 1.883 66 A HA -0.229 4.090 4.320 -0.000 0.000 0.217 66 A C 2.421 180.096 177.584 0.152 0.000 1.186 66 A CA 2.149 54.268 52.037 0.136 0.000 0.624 66 A CB -1.098 17.972 19.000 0.116 0.000 0.822 66 A HN 0.260 nan 8.150 nan 0.000 0.444 67 T N -1.950 112.687 114.554 0.138 0.000 2.746 67 T HA -0.150 4.200 4.350 -0.000 0.000 0.267 67 T C 1.764 176.548 174.700 0.139 0.000 1.039 67 T CA 1.691 63.869 62.100 0.130 0.000 1.142 67 T CB -0.385 68.547 68.868 0.107 0.000 0.866 67 T HN 0.546 nan 8.240 nan 0.000 0.444 68 Y N 1.568 121.887 120.300 0.033 0.000 2.181 68 Y HA -0.065 4.484 4.550 -0.000 0.000 0.288 68 Y C 2.452 178.406 175.900 0.091 0.000 1.146 68 Y CA 1.205 59.329 58.100 0.040 0.000 1.164 68 Y CB -0.443 38.003 38.460 -0.023 0.000 0.982 68 Y HN 0.193 nan 8.280 nan 0.000 0.515 69 A N 0.147 123.138 122.820 0.285 0.000 1.929 69 A HA -0.056 4.263 4.320 -0.000 0.000 0.216 69 A C 2.391 180.130 177.584 0.259 0.000 1.176 69 A CA 1.457 53.645 52.037 0.253 0.000 0.628 69 A CB -1.430 17.747 19.000 0.296 0.000 0.816 69 A HN 0.575 nan 8.150 nan 0.000 0.444 70 A N 0.029 123.008 122.820 0.265 0.000 1.873 70 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 70 A C 2.201 179.905 177.584 0.200 0.000 1.193 70 A CA 1.803 54.006 52.037 0.278 0.000 0.629 70 A CB -0.714 18.382 19.000 0.160 0.000 0.826 70 A HN 0.482 nan 8.150 nan 0.000 0.447 71 L N -1.078 120.210 121.223 0.108 0.000 2.027 71 L HA -0.158 4.182 4.340 -0.000 0.000 0.206 71 L C 2.485 179.368 176.870 0.021 0.000 1.074 71 L CA 1.736 56.651 54.840 0.125 0.000 0.745 71 L CB -0.503 41.607 42.059 0.086 0.000 0.898 71 L HN 0.440 nan 8.230 nan 0.000 0.433 72 D N -0.400 119.926 120.400 -0.125 0.000 2.117 72 D HA -0.191 4.448 4.640 -0.000 0.000 0.198 72 D C 2.309 178.468 176.300 -0.235 0.000 0.982 72 D CA 1.269 55.152 54.000 -0.194 0.000 0.828 72 D CB 0.244 40.907 40.800 -0.230 0.000 0.967 72 D HN 0.064 nan 8.370 nan 0.000 0.464 73 R N -2.037 118.299 120.500 -0.272 0.000 2.142 73 R HA 0.047 4.387 4.340 -0.000 0.000 0.204 73 R C 1.762 177.708 176.300 -0.589 0.000 1.059 73 R CA 0.318 56.115 56.100 -0.506 0.000 1.055 73 R CB -0.031 29.808 30.300 -0.769 0.000 0.976 73 R HN 0.197 nan 8.270 nan 0.000 0.483 74 Y N -0.058 120.197 120.300 -0.075 0.000 2.343 74 Y HA 0.142 4.692 4.550 -0.000 0.000 0.294 74 Y C 1.920 177.767 175.900 -0.087 0.000 1.122 74 Y CA 0.441 58.503 58.100 -0.063 0.000 1.173 74 Y CB 0.235 38.679 38.460 -0.025 0.000 1.077 74 Y HN -0.056 nan 8.280 nan 0.000 0.542 75 L N -0.464 120.778 121.223 0.031 0.000 2.202 75 L HA 0.002 4.342 4.340 -0.000 0.000 0.205 75 L C 2.538 179.262 176.870 -0.243 0.000 1.083 75 L CA 0.571 55.403 54.840 -0.014 0.000 0.790 75 L CB -0.382 41.741 42.059 0.107 0.000 0.942 75 L HN 0.100 nan 8.230 nan 0.000 0.452 76 R N 1.310 121.458 120.500 -0.588 0.000 2.136 76 R HA -0.202 4.138 4.340 -0.000 0.000 0.242 76 R C -0.590 175.359 176.300 -0.586 0.000 1.131 76 R CA 2.433 57.831 56.100 -1.170 0.000 0.937 76 R CB -1.335 28.324 30.300 -1.069 0.000 0.863 76 R HN 0.231 nan 8.270 nan 0.000 0.435 77 P HA -0.094 nan 4.420 nan 0.000 0.229 77 P C 1.121 178.337 177.300 -0.140 0.000 1.160 77 P CA 1.133 64.105 63.100 -0.213 0.000 0.777 77 P CB 0.005 31.607 31.700 -0.163 0.000 0.814 78 L N -1.267 119.882 121.223 -0.123 0.000 2.509 78 L HA 0.044 4.384 4.340 -0.000 0.000 0.222 78 L C 2.162 179.006 176.870 -0.043 0.000 1.123 78 L CA 0.361 55.165 54.840 -0.059 0.000 0.856 78 L CB 0.039 42.084 42.059 -0.024 0.000 0.985 78 L HN -0.167 nan 8.230 nan 0.000 0.456 79 V N -1.031 118.845 119.914 -0.062 0.000 2.908 79 V HA 0.057 4.177 4.120 -0.000 0.000 0.240 79 V C 1.117 177.213 176.094 0.003 0.000 1.117 79 V CA -0.080 62.226 62.300 0.010 0.000 1.133 79 V CB 0.314 32.231 31.823 0.157 0.000 0.857 79 V HN 0.092 nan 8.190 nan 0.000 0.478 80 L N 1.674 122.865 121.223 -0.053 0.000 2.499 80 L HA 0.383 4.722 4.340 -0.000 0.000 0.273 80 L C 1.431 178.278 176.870 -0.037 0.000 1.195 80 L CA 1.312 56.130 54.840 -0.037 0.000 0.882 80 L CB 0.232 42.238 42.059 -0.088 0.000 1.133 80 L HN 0.526 nan 8.230 nan 0.000 0.483 81 G N 2.152 110.939 108.800 -0.021 0.000 2.195 81 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.246 81 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.246 81 G C 0.413 175.302 174.900 -0.018 0.000 0.984 81 G CA -0.475 44.612 45.100 -0.022 0.000 0.633 81 G HN 0.474 nan 8.290 nan 0.000 0.525 82 R N 0.693 121.183 120.500 -0.016 0.000 2.560 82 R HA 0.681 5.020 4.340 -0.000 0.000 0.270 82 R C 0.705 176.996 176.300 -0.015 0.000 1.074 82 R CA 0.186 56.277 56.100 -0.015 0.000 1.140 82 R CB 0.602 30.894 30.300 -0.013 0.000 1.073 82 R HN 0.689 nan 8.270 nan 0.000 0.527 83 A N 1.560 124.373 122.820 -0.013 0.000 2.450 83 A HA 0.066 4.385 4.320 -0.000 0.000 0.255 83 A C 1.329 178.903 177.584 -0.017 0.000 1.096 83 A CA -0.346 51.684 52.037 -0.013 0.000 0.778 83 A CB 0.549 19.544 19.000 -0.007 0.000 1.031 83 A HN 0.608 nan 8.150 nan 0.000 0.494 84 V N 3.649 123.548 119.914 -0.025 0.000 2.626 84 V HA -0.094 4.026 4.120 -0.000 0.000 0.252 84 V C 2.141 178.224 176.094 -0.018 0.000 1.067 84 V CA 2.723 64.998 62.300 -0.042 0.000 1.081 84 V CB -0.720 31.072 31.823 -0.052 0.000 0.686 84 V HN 1.059 nan 8.190 nan 0.000 0.468 85 G N -0.869 107.931 108.800 -0.001 0.000 2.509 85 G HA2 -0.174 3.785 3.960 -0.000 0.000 0.218 85 G HA3 -0.174 3.785 3.960 -0.000 0.000 0.218 85 G C 0.920 175.838 174.900 0.029 0.000 1.124 85 G CA 0.705 45.816 45.100 0.017 0.000 0.776 85 G HN 0.563 nan 8.290 nan 0.000 0.547 86 D N -0.613 119.801 120.400 0.023 0.000 2.344 86 D HA 0.064 4.704 4.640 -0.000 0.000 0.242 86 D C 1.464 177.801 176.300 0.061 0.000 1.159 86 D CA -0.125 53.892 54.000 0.029 0.000 0.859 86 D CB -0.394 40.414 40.800 0.013 0.000 0.925 86 D HN 0.567 nan 8.370 nan 0.000 0.510 87 H N 0.888 119.915 119.070 -0.072 0.000 2.325 87 H HA -0.291 4.265 4.556 -0.000 0.000 0.293 87 H C 1.922 177.196 175.328 -0.089 0.000 1.106 87 H CA 1.803 57.782 56.048 -0.114 0.000 1.247 87 H CB 0.454 30.098 29.762 -0.196 0.000 1.359 87 H HN 0.215 nan 8.280 nan 0.000 0.488 88 A N 0.511 123.363 122.820 0.053 0.000 1.930 88 A HA -0.014 4.306 4.320 -0.000 0.000 0.217 88 A C 2.549 180.154 177.584 0.035 0.000 1.175 88 A CA 1.289 53.324 52.037 -0.003 0.000 0.627 88 A CB -0.903 18.074 19.000 -0.039 0.000 0.815 88 A HN 0.621 nan 8.150 nan 0.000 0.443 89 A N -0.037 122.803 122.820 0.034 0.000 1.929 89 A HA 0.002 4.322 4.320 -0.000 0.000 0.216 89 A C 2.072 179.676 177.584 0.033 0.000 1.176 89 A CA 1.295 53.349 52.037 0.027 0.000 0.628 89 A CB -0.565 18.446 19.000 0.018 0.000 0.816 89 A HN 0.470 nan 8.150 nan 0.000 0.444 90 I N -0.585 120.010 120.570 0.041 0.000 2.163 90 I HA -0.304 3.866 4.170 -0.000 0.000 0.243 90 I C 2.577 178.722 176.117 0.047 0.000 1.085 90 I CA 1.314 62.634 61.300 0.033 0.000 1.347 90 I CB -0.285 37.722 38.000 0.012 0.000 1.044 90 I HN 0.265 nan 8.210 nan 0.000 0.408 91 M N -0.270 119.376 119.600 0.076 0.000 2.229 91 M HA -0.129 4.351 4.480 -0.000 0.000 0.264 91 M C 2.204 178.539 176.300 0.059 0.000 1.063 91 M CA 1.454 56.802 55.300 0.081 0.000 1.114 91 M CB -1.031 31.641 32.600 0.121 0.000 1.387 91 M HN 0.214 nan 8.290 nan 0.000 0.420 92 E N 0.692 120.920 120.200 0.046 0.000 2.058 92 E HA -0.195 4.155 4.350 -0.000 0.000 0.194 92 E C 1.562 178.178 176.600 0.027 0.000 0.997 92 E CA 1.276 57.696 56.400 0.033 0.000 0.801 92 E CB -0.297 29.418 29.700 0.024 0.000 0.746 92 E HN 0.494 nan 8.360 nan 0.000 0.450 93 D N 0.516 120.932 120.400 0.026 0.000 2.144 93 D HA -0.086 4.554 4.640 -0.000 0.000 0.200 93 D C 1.850 178.165 176.300 0.025 0.000 0.978 93 D CA 1.277 55.289 54.000 0.020 0.000 0.833 93 D CB -0.237 40.573 40.800 0.017 0.000 0.961 93 D HN 0.143 nan 8.370 nan 0.000 0.470 94 A N 1.077 123.918 122.820 0.036 0.000 1.877 94 A HA -0.173 4.147 4.320 -0.000 0.000 0.216 94 A C 2.192 179.799 177.584 0.038 0.000 1.186 94 A CA 1.177 53.241 52.037 0.046 0.000 0.620 94 A CB -0.417 18.619 19.000 0.061 0.000 0.822 94 A HN 0.097 nan 8.150 nan 0.000 0.443 95 R N -0.639 119.883 120.500 0.037 0.000 2.081 95 R HA -0.093 4.247 4.340 -0.000 0.000 0.235 95 R C 2.347 178.647 176.300 -0.001 0.000 1.131 95 R CA 1.254 57.370 56.100 0.025 0.000 0.960 95 R CB -0.394 29.926 30.300 0.033 0.000 0.856 95 R HN 0.514 nan 8.270 nan 0.000 0.436 96 A N 0.618 123.438 122.820 -0.000 0.000 2.067 96 A HA 0.065 4.385 4.320 -0.000 0.000 0.217 96 A C 2.158 179.727 177.584 -0.025 0.000 1.156 96 A CA 1.214 53.242 52.037 -0.015 0.000 0.683 96 A CB -0.194 18.802 19.000 -0.007 0.000 0.808 96 A HN 0.368 nan 8.150 nan 0.000 0.455 97 A N -1.234 121.580 122.820 -0.011 0.000 2.067 97 A HA 0.419 4.739 4.320 -0.000 0.000 0.217 97 A C 0.789 178.335 177.584 -0.063 0.000 1.156 97 A CA 1.249 53.281 52.037 -0.008 0.000 0.683 97 A CB -0.136 18.886 19.000 0.035 0.000 0.808 97 A HN 0.990 nan 8.150 nan 0.000 0.455 98 V N -0.782 119.085 119.914 -0.079 0.000 2.752 98 V HA 0.621 4.741 4.120 -0.000 0.000 0.302 98 V C -0.429 175.584 176.094 -0.136 0.000 1.133 98 V CA -0.528 61.683 62.300 -0.148 0.000 0.919 98 V CB 1.331 33.085 31.823 -0.115 0.000 1.026 98 V HN 0.645 nan 8.190 nan 0.000 0.429 99 A N 5.977 128.674 122.820 -0.205 0.000 2.371 99 A HA 0.780 5.100 4.320 -0.000 0.000 0.257 99 A C 0.583 177.995 177.584 -0.287 0.000 1.089 99 A CA 0.684 52.509 52.037 -0.353 0.000 0.794 99 A CB -0.075 18.621 19.000 -0.506 0.000 1.029 99 A HN 1.595 nan 8.150 nan 0.000 0.488 100 H N -0.307 118.761 119.070 -0.003 0.000 1.452 100 H HA -0.213 4.343 4.556 -0.000 0.000 0.090 100 H C 0.941 176.307 175.328 0.063 0.000 1.710 100 H CA 0.391 56.455 56.048 0.025 0.000 1.901 100 H CB -1.735 28.036 29.762 0.015 0.000 2.257 100 H HN 1.615 nan 8.280 nan 0.000 0.961 101 C N 0.251 119.696 119.300 0.241 0.000 4.235 101 C HA -0.172 4.288 4.460 -0.000 0.000 0.301 101 C C 2.212 177.299 174.990 0.161 0.000 1.409 101 C CA 1.620 60.740 59.018 0.171 0.000 2.024 101 C CB -3.135 24.683 27.740 0.130 0.000 1.286 101 C HN 0.995 nan 8.230 nan 0.000 0.746 102 T N -2.000 112.679 114.554 0.209 0.000 2.881 102 T HA -0.156 4.194 4.350 -0.000 0.000 0.270 102 T C 1.207 175.993 174.700 0.143 0.000 1.068 102 T CA 1.849 64.069 62.100 0.200 0.000 1.131 102 T CB -0.018 69.034 68.868 0.306 0.000 0.871 102 T HN 0.731 nan 8.240 nan 0.000 0.479 103 E N 2.434 122.712 120.200 0.129 0.000 2.072 103 E HA 0.151 4.501 4.350 -0.000 0.000 0.191 103 E C 2.583 179.231 176.600 0.079 0.000 0.985 103 E CA 1.147 57.597 56.400 0.083 0.000 0.801 103 E CB -0.853 28.889 29.700 0.070 0.000 0.750 103 E HN 0.651 nan 8.360 nan 0.000 0.452 104 A N 1.367 124.242 122.820 0.093 0.000 1.908 104 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 104 A C 1.942 179.577 177.584 0.085 0.000 1.181 104 A CA 1.864 53.953 52.037 0.087 0.000 0.627 104 A CB -0.395 18.666 19.000 0.101 0.000 0.818 104 A HN 0.114 nan 8.150 nan 0.000 0.445 105 K N -0.404 120.053 120.400 0.095 0.000 2.103 105 K HA 0.051 4.371 4.320 -0.000 0.000 0.204 105 K C 2.309 178.964 176.600 0.092 0.000 1.052 105 K CA 0.967 57.310 56.287 0.094 0.000 0.945 105 K CB -0.304 32.257 32.500 0.101 0.000 0.722 105 K HN 0.425 nan 8.250 nan 0.000 0.443 106 A N 1.644 124.518 122.820 0.090 0.000 1.902 106 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 106 A C 2.388 180.014 177.584 0.071 0.000 1.181 106 A CA 1.908 53.997 52.037 0.086 0.000 0.623 106 A CB -0.753 18.286 19.000 0.066 0.000 0.818 106 A HN 0.328 nan 8.150 nan 0.000 0.443 107 A N -0.535 122.316 122.820 0.051 0.000 1.902 107 A HA -0.038 4.282 4.320 -0.000 0.000 0.217 107 A C 2.133 179.722 177.584 0.008 0.000 1.181 107 A CA 1.764 53.817 52.037 0.028 0.000 0.623 107 A CB -0.620 18.391 19.000 0.019 0.000 0.818 107 A HN 0.701 nan 8.150 nan 0.000 0.443 108 L N 0.220 121.451 121.223 0.013 0.000 2.017 108 L HA -0.154 4.185 4.340 -0.000 0.000 0.208 108 L C 1.904 178.758 176.870 -0.028 0.000 1.073 108 L CA 2.791 57.621 54.840 -0.016 0.000 0.745 108 L CB -0.767 41.313 42.059 0.035 0.000 0.894 108 L HN 0.440 nan 8.230 nan 0.000 0.432 109 D N -1.573 118.858 120.400 0.050 0.000 2.117 109 D HA -0.170 4.470 4.640 -0.000 0.000 0.197 109 D C 1.959 178.365 176.300 0.178 0.000 0.987 109 D CA 1.630 55.705 54.000 0.125 0.000 0.829 109 D CB 0.033 40.976 40.800 0.238 0.000 0.961 109 D HN 0.385 nan 8.370 nan 0.000 0.460 110 T N -0.345 114.301 114.554 0.155 0.000 2.708 110 T HA -0.127 4.223 4.350 -0.000 0.000 0.266 110 T C 1.932 176.686 174.700 0.090 0.000 1.037 110 T CA 1.664 63.858 62.100 0.156 0.000 1.146 110 T CB -0.530 68.388 68.868 0.084 0.000 0.865 110 T HN 0.247 nan 8.240 nan 0.000 0.435 111 A N 1.063 123.884 122.820 0.002 0.000 1.933 111 A HA 0.025 4.345 4.320 -0.000 0.000 0.218 111 A C 2.313 179.822 177.584 -0.126 0.000 1.175 111 A CA 1.146 53.143 52.037 -0.067 0.000 0.628 111 A CB -0.843 18.077 19.000 -0.133 0.000 0.814 111 A HN 0.470 nan 8.150 nan 0.000 0.444 112 L N -2.193 118.896 121.223 -0.224 0.000 2.012 112 L HA -0.228 4.111 4.340 -0.000 0.000 0.210 112 L C 2.598 179.302 176.870 -0.278 0.000 1.073 112 L CA 1.584 56.160 54.840 -0.440 0.000 0.748 112 L CB -0.677 40.756 42.059 -1.043 0.000 0.891 112 L HN 0.434 nan 8.230 nan 0.000 0.431 113 Y N -0.048 120.237 120.300 -0.024 0.000 2.200 113 Y HA -0.279 4.271 4.550 -0.001 0.000 0.290 113 Y C 2.466 178.350 175.900 -0.027 0.000 1.137 113 Y CA 1.668 59.815 58.100 0.079 0.000 1.163 113 Y CB -0.497 38.025 38.460 0.103 0.000 0.988 113 Y HN 0.236 nan 8.280 nan 0.000 0.518 114 D N -0.135 120.328 120.400 0.105 0.000 2.104 114 D HA -0.182 4.458 4.640 -0.000 0.000 0.194 114 D C 2.162 178.457 176.300 -0.009 0.000 0.994 114 D CA 1.037 55.048 54.000 0.019 0.000 0.830 114 D CB -0.371 40.447 40.800 0.030 0.000 0.959 114 D HN 0.209 nan 8.370 nan 0.000 0.452 115 L N 0.749 121.949 121.223 -0.039 0.000 2.017 115 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 115 L C 2.294 179.141 176.870 -0.039 0.000 1.073 115 L CA 1.702 56.505 54.840 -0.061 0.000 0.745 115 L CB -0.433 41.564 42.059 -0.104 0.000 0.894 115 L HN -0.036 nan 8.230 nan 0.000 0.432 116 R N -0.718 119.768 120.500 -0.023 0.000 2.092 116 R HA -0.043 4.297 4.340 -0.000 0.000 0.231 116 R C 2.191 178.497 176.300 0.009 0.000 1.119 116 R CA 1.108 57.210 56.100 0.003 0.000 0.970 116 R CB -0.557 29.766 30.300 0.039 0.000 0.864 116 R HN 0.526 nan 8.270 nan 0.000 0.440 117 A N 1.215 124.042 122.820 0.011 0.000 1.930 117 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 117 A C 2.068 179.621 177.584 -0.051 0.000 1.175 117 A CA 1.004 53.022 52.037 -0.033 0.000 0.627 117 A CB -0.236 18.721 19.000 -0.072 0.000 0.815 117 A HN 0.195 nan 8.150 nan 0.000 0.443 118 R N -0.718 119.760 120.500 -0.038 0.000 2.115 118 R HA 0.090 4.429 4.340 -0.000 0.000 0.226 118 R C 1.894 178.179 176.300 -0.026 0.000 1.100 118 R CA 1.209 57.290 56.100 -0.032 0.000 0.980 118 R CB -0.391 29.898 30.300 -0.017 0.000 0.875 118 R HN 0.539 nan 8.270 nan 0.000 0.445 119 I N 0.574 121.130 120.570 -0.024 0.000 2.286 119 I HA -0.246 3.924 4.170 -0.000 0.000 0.248 119 I C 2.304 178.410 176.117 -0.019 0.000 1.115 119 I CA 1.335 62.623 61.300 -0.020 0.000 1.392 119 I CB -0.176 37.813 38.000 -0.019 0.000 1.065 119 I HN 0.172 nan 8.210 nan 0.000 0.418 120 A N -0.006 122.800 122.820 -0.022 0.000 2.178 120 A HA 0.290 4.610 4.320 -0.000 0.000 0.211 120 A C 1.835 179.399 177.584 -0.034 0.000 1.157 120 A CA 0.743 52.766 52.037 -0.024 0.000 0.780 120 A CB -0.485 18.502 19.000 -0.022 0.000 0.828 120 A HN 0.543 nan 8.150 nan 0.000 0.476 121 G N -0.781 107.994 108.800 -0.041 0.000 2.176 121 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.252 121 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.252 121 G C 0.241 175.094 174.900 -0.078 0.000 1.024 121 G CA 0.735 45.807 45.100 -0.048 0.000 0.755 121 G HN 1.816 nan 8.290 nan 0.000 0.507 122 V N -3.540 116.306 119.914 -0.113 0.000 2.960 122 V HA 0.974 5.094 4.120 -0.000 0.000 0.315 122 V C -2.282 173.646 176.094 -0.277 0.000 1.087 122 V CA -2.728 59.455 62.300 -0.196 0.000 0.982 122 V CB 2.378 34.085 31.823 -0.194 0.000 1.039 122 V HN 0.063 nan 8.190 nan 0.000 0.437 123 P HA 0.222 nan 4.420 nan 0.000 0.272 123 P C 1.072 178.039 177.300 -0.555 0.000 1.223 123 P CA -0.003 62.775 63.100 -0.536 0.000 0.784 123 P CB 1.215 32.396 31.700 -0.864 0.000 0.923 124 V N 2.334 121.930 119.914 -0.531 0.000 2.324 124 V HA -0.232 3.887 4.120 -0.000 0.000 0.250 124 V C 2.296 178.307 176.094 -0.137 0.000 1.060 124 V CA 2.193 64.271 62.300 -0.370 0.000 1.042 124 V CB -1.500 30.011 31.823 -0.521 0.000 0.650 124 V HN 0.740 nan 8.190 nan 0.000 0.450 125 W N 0.851 122.260 121.300 0.181 0.000 2.341 125 W HA -0.189 4.470 4.660 -0.001 0.000 0.283 125 W C 2.066 178.613 176.519 0.048 0.000 1.215 125 W CA 0.985 58.409 57.345 0.130 0.000 1.211 125 W CB -1.080 28.479 29.460 0.166 0.000 1.131 125 W HN 0.309 nan 8.180 nan 0.000 0.552 126 A N 1.277 124.020 122.820 -0.127 0.000 2.168 126 A HA 0.056 4.376 4.320 -0.000 0.000 0.215 126 A C 2.077 179.679 177.584 0.030 0.000 1.152 126 A CA 0.898 52.905 52.037 -0.050 0.000 0.716 126 A CB -0.702 18.078 19.000 -0.367 0.000 0.794 126 A HN 0.409 nan 8.150 nan 0.000 0.465 127 L N -1.213 120.021 121.223 0.018 0.000 2.640 127 L HA 0.238 4.577 4.340 -0.000 0.000 0.230 127 L C 0.880 177.789 176.870 0.065 0.000 1.123 127 L CA 0.132 55.021 54.840 0.081 0.000 0.900 127 L CB 0.120 42.289 42.059 0.183 0.000 1.146 127 L HN 0.306 nan 8.230 nan 0.000 0.484 128 L N -0.571 120.669 121.223 0.028 0.000 2.910 128 L HA 0.400 4.740 4.340 -0.000 0.000 0.252 128 L C 1.090 178.001 176.870 0.069 0.000 1.195 128 L CA 0.290 55.129 54.840 -0.002 0.000 1.003 128 L CB 0.490 42.513 42.059 -0.060 0.000 1.328 128 L HN 0.309 nan 8.230 nan 0.000 0.540 129 G N -0.801 108.061 108.800 0.103 0.000 2.192 129 G HA2 0.003 3.962 3.960 -0.000 0.000 0.193 129 G HA3 0.003 3.962 3.960 -0.000 0.000 0.193 129 G C 0.597 175.581 174.900 0.140 0.000 0.999 129 G CA -0.222 44.938 45.100 0.100 0.000 0.659 129 G HN 0.768 nan 8.290 nan 0.000 0.503 130 G N -0.655 108.294 108.800 0.248 0.000 2.681 130 G HA2 0.119 4.079 3.960 -0.000 0.000 0.220 130 G HA3 0.119 4.079 3.960 -0.000 0.000 0.220 130 G C -0.303 174.694 174.900 0.161 0.000 1.353 130 G CA 0.584 45.896 45.100 0.354 0.000 0.872 130 G HN 1.220 nan 8.290 nan 0.000 0.557 131 R N -1.115 119.309 120.500 -0.126 0.000 2.637 131 R HA 0.610 4.950 4.340 -0.000 0.000 0.291 131 R C 1.367 177.511 176.300 -0.260 0.000 0.963 131 R CA -0.283 55.550 56.100 -0.445 0.000 0.901 131 R CB 1.066 30.654 30.300 -1.186 0.000 1.160 131 R HN 1.381 nan 8.270 nan 0.000 0.457 132 C N 1.934 121.104 119.300 -0.216 0.000 3.403 132 C HA 0.460 4.920 4.460 -0.000 0.000 0.317 132 C C 0.103 175.005 174.990 -0.146 0.000 1.346 132 C CA -0.648 58.285 59.018 -0.142 0.000 1.743 132 C CB -0.521 27.172 27.740 -0.079 0.000 2.308 132 C HN 0.834 nan 8.230 nan 0.000 0.675 133 R N 0.733 121.116 120.500 -0.195 0.000 2.643 133 R HA 0.530 4.869 4.340 -0.000 0.000 0.269 133 R C -1.107 175.060 176.300 -0.221 0.000 1.037 133 R CA 0.152 56.157 56.100 -0.158 0.000 0.894 133 R CB 0.768 31.014 30.300 -0.091 0.000 1.238 133 R HN 0.141 nan 8.270 nan 0.000 0.459 134 D N 0.846 121.141 120.400 -0.174 0.000 2.398 134 D HA 0.154 4.793 4.640 -0.000 0.000 0.210 134 D C -0.192 176.046 176.300 -0.103 0.000 1.094 134 D CA -0.119 53.777 54.000 -0.173 0.000 0.839 134 D CB 0.546 41.257 40.800 -0.147 0.000 0.963 134 D HN 0.410 nan 8.370 nan 0.000 0.506 135 R N -0.033 120.430 120.500 -0.062 0.000 2.698 135 R HA 0.660 5.000 4.340 -0.000 0.000 0.275 135 R C -1.002 175.343 176.300 0.076 0.000 1.001 135 R CA -0.794 55.313 56.100 0.011 0.000 0.896 135 R CB 2.336 32.626 30.300 -0.016 0.000 1.218 135 R HN -0.037 nan 8.270 nan 0.000 0.462 136 I N 2.432 123.072 120.570 0.118 0.000 2.478 136 I HA 0.317 4.487 4.170 -0.000 0.000 0.287 136 I C -2.387 173.723 176.117 -0.011 0.000 1.042 136 I CA -2.579 58.762 61.300 0.068 0.000 1.067 136 I CB 2.386 40.407 38.000 0.036 0.000 1.233 136 I HN 0.200 nan 8.210 nan 0.000 0.431 137 P HA 0.076 nan 4.420 nan 0.000 0.265 137 P C -0.853 176.303 177.300 -0.241 0.000 1.193 137 P CA -0.171 62.662 63.100 -0.445 0.000 0.765 137 P CB 0.627 32.142 31.700 -0.309 0.000 0.823 138 L N 2.805 123.888 121.223 -0.233 0.000 2.317 138 L HA 0.601 4.941 4.340 -0.000 0.000 0.281 138 L C -0.089 176.748 176.870 -0.054 0.000 1.024 138 L CA -0.169 54.621 54.840 -0.083 0.000 0.810 138 L CB 1.714 43.789 42.059 0.026 0.000 1.240 138 L HN 0.238 nan 8.230 nan 0.000 0.427 139 S N 4.064 119.762 115.700 -0.003 0.000 2.501 139 S HA 0.621 5.090 4.470 -0.000 0.000 0.301 139 S C -0.939 173.655 174.600 -0.011 0.000 1.096 139 S CA -0.583 57.620 58.200 0.004 0.000 1.063 139 S CB 0.901 64.149 63.200 0.081 0.000 1.042 139 S HN 0.882 nan 8.310 nan 0.000 0.494 140 C N 3.884 123.087 119.300 -0.161 0.000 2.417 140 C HA 0.764 5.224 4.460 -0.000 0.000 0.324 140 C C 0.331 174.972 174.990 -0.583 0.000 1.240 140 C CA -0.396 58.325 59.018 -0.494 0.000 1.632 140 C CB 0.649 28.104 27.740 -0.474 0.000 2.241 140 C HN 0.920 nan 8.230 nan 0.000 0.499 141 S N 4.926 120.038 115.700 -0.980 0.000 2.565 141 S HA 0.528 4.998 4.470 -0.000 0.000 0.274 141 S C -0.289 174.086 174.600 -0.375 0.000 1.309 141 S CA -0.298 57.592 58.200 -0.516 0.000 1.043 141 S CB 0.457 63.447 63.200 -0.349 0.000 0.939 141 S HN 0.604 nan 8.310 nan 0.000 0.504 142 I N 2.859 123.310 120.570 -0.199 0.000 2.371 142 I HA 0.379 4.549 4.170 -0.000 0.000 0.282 142 I C 0.557 176.688 176.117 0.024 0.000 1.031 142 I CA -0.322 60.914 61.300 -0.107 0.000 1.180 142 I CB 0.391 38.322 38.000 -0.115 0.000 1.336 142 I HN 0.788 nan 8.210 nan 0.000 0.467 143 A N 4.064 126.927 122.820 0.072 0.000 2.671 143 A HA 0.173 4.493 4.320 -0.000 0.000 0.265 143 A C 0.339 178.022 177.584 0.165 0.000 1.148 143 A CA -0.253 51.874 52.037 0.151 0.000 0.977 143 A CB 0.159 19.181 19.000 0.037 0.000 1.242 143 A HN 0.513 nan 8.150 nan 0.000 0.591 144 D N 1.414 121.947 120.400 0.223 0.000 2.351 144 D HA 0.218 4.858 4.640 -0.000 0.000 0.251 144 D C -1.315 175.229 176.300 0.407 0.000 1.137 144 D CA -1.534 52.599 54.000 0.222 0.000 0.879 144 D CB 1.667 42.578 40.800 0.184 0.000 1.181 144 D HN 0.061 nan 8.370 nan 0.000 0.448 145 P HA -0.120 nan 4.420 nan 0.000 0.218 145 P C 0.270 177.786 177.300 0.361 0.000 1.148 145 P CA 0.688 64.009 63.100 0.368 0.000 0.822 145 P CB 0.273 32.073 31.700 0.166 0.000 0.784 146 D N -0.491 120.075 120.400 0.276 0.000 2.374 146 D HA -0.007 4.633 4.640 -0.000 0.000 0.240 146 D C 0.566 177.057 176.300 0.318 0.000 1.229 146 D CA -0.667 53.486 54.000 0.256 0.000 0.895 146 D CB -0.252 40.636 40.800 0.146 0.000 1.046 146 D HN -0.163 nan 8.370 nan 0.000 0.498 147 F N 3.371 123.443 119.950 0.204 0.000 2.293 147 F HA -0.096 4.431 4.527 -0.000 0.000 0.300 147 F C 1.486 177.303 175.800 0.028 0.000 1.086 147 F CA 0.923 58.978 58.000 0.092 0.000 1.375 147 F CB 0.230 39.231 39.000 0.002 0.000 1.045 147 F HN 0.343 nan 8.300 nan 0.000 0.516 148 D N 0.247 120.631 120.400 -0.028 0.000 2.144 148 D HA -0.145 4.495 4.640 -0.000 0.000 0.200 148 D C 2.201 178.423 176.300 -0.130 0.000 0.978 148 D CA 0.874 54.787 54.000 -0.144 0.000 0.833 148 D CB -0.139 40.640 40.800 -0.036 0.000 0.961 148 D HN 0.286 nan 8.370 nan 0.000 0.470 149 K N 0.782 121.158 120.400 -0.040 0.000 2.063 149 K HA -0.148 4.171 4.320 -0.000 0.000 0.208 149 K C 1.528 178.081 176.600 -0.079 0.000 1.048 149 K CA 0.953 57.224 56.287 -0.027 0.000 0.928 149 K CB -0.174 32.344 32.500 0.031 0.000 0.713 149 K HN 0.137 nan 8.250 nan 0.000 0.442 150 D N 0.921 121.259 120.400 -0.104 0.000 2.183 150 D HA -0.053 4.587 4.640 -0.000 0.000 0.203 150 D C 2.032 178.130 176.300 -0.336 0.000 0.969 150 D CA 0.590 54.493 54.000 -0.162 0.000 0.842 150 D CB -0.085 40.701 40.800 -0.023 0.000 0.957 150 D HN 0.104 nan 8.370 nan 0.000 0.484 151 L N 0.528 121.452 121.223 -0.498 0.000 2.131 151 L HA -0.134 4.206 4.340 -0.000 0.000 0.210 151 L C 2.474 179.211 176.870 -0.221 0.000 1.092 151 L CA 0.949 55.529 54.840 -0.434 0.000 0.759 151 L CB -0.305 41.462 42.059 -0.487 0.000 0.903 151 L HN -0.027 nan 8.230 nan 0.000 0.435 152 A N 0.053 122.773 122.820 -0.166 0.000 1.877 152 A HA -0.233 4.086 4.320 -0.000 0.000 0.216 152 A C 2.186 179.710 177.584 -0.100 0.000 1.186 152 A CA 1.668 53.652 52.037 -0.089 0.000 0.620 152 A CB -0.714 18.254 19.000 -0.054 0.000 0.822 152 A HN 0.321 nan 8.150 nan 0.000 0.443 153 L N -0.729 120.412 121.223 -0.136 0.000 2.079 153 L HA -0.152 4.188 4.340 -0.000 0.000 0.210 153 L C 2.254 178.973 176.870 -0.251 0.000 1.081 153 L CA 1.971 56.718 54.840 -0.155 0.000 0.752 153 L CB -0.581 41.385 42.059 -0.155 0.000 0.896 153 L HN 0.317 nan 8.230 nan 0.000 0.433 154 M N -1.115 118.254 119.600 -0.386 0.000 2.213 154 M HA -0.177 4.303 4.480 -0.000 0.000 0.263 154 M C 2.161 178.220 176.300 -0.401 0.000 1.062 154 M CA 1.358 56.257 55.300 -0.667 0.000 1.105 154 M CB -1.129 30.670 32.600 -1.335 0.000 1.385 154 M HN 0.395 nan 8.290 nan 0.000 0.417 155 Q N -0.389 119.332 119.800 -0.131 0.000 2.046 155 Q HA -0.132 4.208 4.340 -0.000 0.000 0.200 155 Q C 2.152 178.179 176.000 0.046 0.000 0.975 155 Q CA 1.320 57.157 55.803 0.058 0.000 0.836 155 Q CB -0.500 28.283 28.738 0.075 0.000 0.896 155 Q HN 0.530 nan 8.270 nan 0.000 0.428 156 R N 0.550 121.055 120.500 0.009 0.000 2.080 156 R HA -0.120 4.220 4.340 -0.000 0.000 0.236 156 R C 2.501 178.839 176.300 0.062 0.000 1.137 156 R CA 1.172 57.305 56.100 0.055 0.000 0.943 156 R CB -0.336 30.005 30.300 0.070 0.000 0.846 156 R HN 0.187 nan 8.270 nan 0.000 0.431 157 L N 0.541 121.741 121.223 -0.038 0.000 2.013 157 L HA -0.277 4.062 4.340 -0.000 0.000 0.212 157 L C 2.916 179.876 176.870 0.150 0.000 1.073 157 L CA 1.911 56.743 54.840 -0.013 0.000 0.753 157 L CB -0.665 41.342 42.059 -0.087 0.000 0.890 157 L HN 0.458 nan 8.230 nan 0.000 0.432 158 Q N 0.043 119.977 119.800 0.223 0.000 2.061 158 Q HA -0.246 4.093 4.340 -0.000 0.000 0.204 158 Q C 1.790 177.886 176.000 0.161 0.000 0.984 158 Q CA 2.013 57.994 55.803 0.297 0.000 0.846 158 Q CB 0.059 29.027 28.738 0.384 0.000 0.902 158 Q HN 0.454 nan 8.270 nan 0.000 0.421 159 D N 0.618 121.098 120.400 0.134 0.000 2.144 159 D HA -0.135 4.505 4.640 -0.000 0.000 0.199 159 D C 0.910 177.268 176.300 0.097 0.000 0.984 159 D CA 1.077 55.139 54.000 0.103 0.000 0.834 159 D CB -0.230 40.625 40.800 0.092 0.000 0.955 159 D HN 0.302 nan 8.370 nan 0.000 0.465 160 D N 0.490 120.962 120.400 0.120 0.000 2.336 160 D HA -0.040 4.599 4.640 -0.000 0.000 0.229 160 D C 0.072 176.432 176.300 0.101 0.000 1.061 160 D CA 0.210 54.290 54.000 0.133 0.000 0.875 160 D CB 0.112 41.050 40.800 0.229 0.000 0.904 160 D HN 0.083 nan 8.370 nan 0.000 0.525 161 D N -0.756 119.682 120.400 0.064 0.000 3.079 161 D HA -0.163 4.477 4.640 -0.000 0.000 0.214 161 D C -0.164 176.113 176.300 -0.038 0.000 1.145 161 D CA 0.301 54.309 54.000 0.014 0.000 0.958 161 D CB -1.356 39.466 40.800 0.036 0.000 1.117 161 D HN 0.150 nan 8.370 nan 0.000 0.416 162 V N 1.188 121.084 119.914 -0.029 0.000 2.529 162 V HA 0.036 4.155 4.120 -0.000 0.000 0.292 162 V C 1.580 177.425 176.094 -0.414 0.000 1.028 162 V CA 0.690 62.926 62.300 -0.106 0.000 1.074 162 V CB 1.354 33.176 31.823 -0.002 0.000 0.958 162 V HN 0.056 nan 8.190 nan 0.000 0.481 163 R N 4.340 124.543 120.500 -0.494 0.000 2.600 163 R HA 0.457 4.797 4.340 -0.000 0.000 0.392 163 R C -0.590 175.422 176.300 -0.479 0.000 1.032 163 R CA 0.058 55.649 56.100 -0.847 0.000 1.139 163 R CB 0.537 30.530 30.300 -0.511 0.000 1.400 163 R HN 0.598 nan 8.270 nan 0.000 0.566 164 I N 1.584 122.029 120.570 -0.208 0.000 2.582 164 I HA 0.477 4.647 4.170 -0.000 0.000 0.292 164 I C -0.165 175.981 176.117 0.049 0.000 1.066 164 I CA -1.196 60.079 61.300 -0.043 0.000 1.053 164 I CB 2.321 40.274 38.000 -0.079 0.000 1.241 164 I HN -0.112 nan 8.210 nan 0.000 0.421 165 I N 1.701 122.294 120.570 0.039 0.000 2.828 165 I HA 0.629 4.798 4.170 -0.000 0.000 0.302 165 I C -0.988 175.043 176.117 -0.143 0.000 1.101 165 I CA -0.870 60.386 61.300 -0.074 0.000 1.031 165 I CB 2.213 40.136 38.000 -0.128 0.000 1.231 165 I HN 0.464 nan 8.210 nan 0.000 0.427 166 K N 4.123 124.427 120.400 -0.159 0.000 2.394 166 K HA 0.506 4.826 4.320 -0.000 0.000 0.260 166 K C -1.429 175.091 176.600 -0.133 0.000 0.967 166 K CA -0.809 55.387 56.287 -0.151 0.000 0.855 166 K CB 1.707 34.164 32.500 -0.072 0.000 1.101 166 K HN 0.698 nan 8.250 nan 0.000 0.433 167 L N 5.056 126.191 121.223 -0.146 0.000 2.361 167 L HA 0.195 4.534 4.340 -0.000 0.000 0.278 167 L C -0.560 176.263 176.870 -0.080 0.000 1.113 167 L CA 0.312 55.074 54.840 -0.131 0.000 0.849 167 L CB 0.372 42.312 42.059 -0.199 0.000 1.155 167 L HN 0.457 nan 8.230 nan 0.000 0.452 168 K N 4.102 124.520 120.400 0.031 0.000 2.297 168 K HA 0.358 4.678 4.320 -0.000 0.000 0.286 168 K C -0.016 176.666 176.600 0.138 0.000 1.053 168 K CA -0.185 56.186 56.287 0.140 0.000 0.940 168 K CB 0.687 33.352 32.500 0.275 0.000 1.019 168 K HN 0.774 nan 8.250 nan 0.000 0.475 169 T N -2.747 111.771 114.554 -0.061 0.000 2.926 169 T HA 0.571 4.921 4.350 -0.000 0.000 0.289 169 T C 0.833 175.506 174.700 -0.045 0.000 1.054 169 T CA -0.194 61.744 62.100 -0.269 0.000 1.015 169 T CB 1.868 70.296 68.868 -0.735 0.000 1.167 169 T HN 0.713 nan 8.240 nan 0.000 0.526 170 G N 0.423 109.241 108.800 0.030 0.000 2.143 170 G HA2 -0.267 3.692 3.960 -0.000 0.000 0.248 170 G HA3 -0.267 3.692 3.960 -0.000 0.000 0.248 170 G C 0.209 175.243 174.900 0.223 0.000 0.991 170 G CA 0.591 45.862 45.100 0.284 0.000 0.689 170 G HN 1.287 nan 8.290 nan 0.000 0.522 171 F N -1.648 118.392 119.950 0.150 0.000 2.717 171 F HA 0.579 5.106 4.527 -0.001 0.000 0.297 171 F C 1.803 177.618 175.800 0.025 0.000 1.113 171 F CA 0.398 58.458 58.000 0.099 0.000 1.319 171 F CB 0.031 39.095 39.000 0.105 0.000 1.097 171 F HN 0.147 nan 8.300 nan 0.000 0.595 172 K N 0.285 120.481 120.400 -0.341 0.000 2.629 172 K HA 0.170 4.490 4.320 -0.000 0.000 0.239 172 K C -0.504 176.015 176.600 -0.135 0.000 1.102 172 K CA 0.590 56.704 56.287 -0.288 0.000 1.019 172 K CB -0.008 32.035 32.500 -0.763 0.000 1.481 172 K HN 0.306 nan 8.250 nan 0.000 0.455 173 D N -1.901 118.435 120.400 -0.106 0.000 2.615 173 D HA 0.022 4.662 4.640 -0.000 0.000 0.267 173 D C 0.386 176.739 176.300 0.089 0.000 1.236 173 D CA -0.492 53.518 54.000 0.017 0.000 0.839 173 D CB 0.638 41.447 40.800 0.014 0.000 1.380 173 D HN 0.141 nan 8.370 nan 0.000 0.433 174 H N 0.623 119.707 119.070 0.025 0.000 2.421 174 H HA 0.123 4.679 4.556 -0.000 0.000 0.298 174 H C 1.833 177.176 175.328 0.025 0.000 1.087 174 H CA 2.804 58.876 56.048 0.040 0.000 1.330 174 H CB -0.140 29.649 29.762 0.045 0.000 1.388 174 H HN 0.491 nan 8.280 nan 0.000 0.526 175 A N 0.041 122.849 122.820 -0.020 0.000 1.908 175 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 175 A C 2.312 179.835 177.584 -0.102 0.000 1.181 175 A CA 1.505 53.494 52.037 -0.079 0.000 0.627 175 A CB -1.292 17.710 19.000 0.003 0.000 0.818 175 A HN 0.545 nan 8.150 nan 0.000 0.445 176 F N 1.361 121.182 119.950 -0.216 0.000 2.161 176 F HA -0.206 4.321 4.527 -0.001 0.000 0.300 176 F C 1.763 177.334 175.800 -0.383 0.000 1.089 176 F CA 2.097 59.926 58.000 -0.285 0.000 1.282 176 F CB -0.133 38.698 39.000 -0.281 0.000 1.010 176 F HN 0.271 nan 8.300 nan 0.000 0.485 177 D N -0.225 120.006 120.400 -0.283 0.000 2.097 177 D HA -0.162 4.478 4.640 -0.000 0.000 0.197 177 D C 2.408 178.428 176.300 -0.467 0.000 0.984 177 D CA 1.255 55.016 54.000 -0.400 0.000 0.826 177 D CB -0.335 40.331 40.800 -0.223 0.000 0.973 177 D HN 0.243 nan 8.370 nan 0.000 0.460 178 M N 0.222 119.568 119.600 -0.423 0.000 2.175 178 M HA -0.064 4.416 4.480 -0.000 0.000 0.264 178 M C 2.141 178.216 176.300 -0.376 0.000 1.063 178 M CA 0.749 55.847 55.300 -0.336 0.000 1.119 178 M CB -0.789 31.661 32.600 -0.249 0.000 1.377 178 M HN 0.089 nan 8.290 nan 0.000 0.415 179 M N 0.432 119.812 119.600 -0.368 0.000 2.065 179 M HA -0.235 4.245 4.480 -0.000 0.000 0.259 179 M C 2.110 178.090 176.300 -0.533 0.000 1.069 179 M CA 1.911 56.990 55.300 -0.369 0.000 1.110 179 M CB -0.566 31.831 32.600 -0.337 0.000 1.328 179 M HN 0.202 nan 8.290 nan 0.000 0.405 180 R N -0.107 119.897 120.500 -0.827 0.000 2.081 180 R HA -0.118 4.222 4.340 -0.000 0.000 0.235 180 R C 2.339 178.279 176.300 -0.600 0.000 1.131 180 R CA 1.468 56.966 56.100 -1.003 0.000 0.960 180 R CB -0.551 28.937 30.300 -1.354 0.000 0.856 180 R HN 0.416 nan 8.270 nan 0.000 0.436 181 L N 0.473 121.289 121.223 -0.678 0.000 2.012 181 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 181 L C 2.526 178.889 176.870 -0.845 0.000 1.073 181 L CA 1.491 55.843 54.840 -0.812 0.000 0.748 181 L CB -0.356 40.983 42.059 -1.200 0.000 0.891 181 L HN 0.254 nan 8.230 nan 0.000 0.431 182 E N -0.235 119.481 120.200 -0.807 0.000 2.051 182 E HA -0.286 4.064 4.350 -0.000 0.000 0.192 182 E C 2.275 178.787 176.600 -0.147 0.000 0.991 182 E CA 1.170 57.376 56.400 -0.324 0.000 0.799 182 E CB 0.090 29.745 29.700 -0.075 0.000 0.748 182 E HN 0.136 nan 8.360 nan 0.000 0.449 183 R N 0.370 120.790 120.500 -0.133 0.000 2.073 183 R HA -0.084 4.255 4.340 -0.000 0.000 0.234 183 R C 2.237 178.565 176.300 0.047 0.000 1.134 183 R CA 1.318 57.421 56.100 0.006 0.000 0.952 183 R CB -0.462 29.926 30.300 0.148 0.000 0.850 183 R HN 0.208 nan 8.270 nan 0.000 0.433 184 L N -0.068 121.171 121.223 0.026 0.000 2.056 184 L HA -0.122 4.218 4.340 -0.000 0.000 0.207 184 L C 2.504 179.405 176.870 0.051 0.000 1.078 184 L CA 1.045 55.927 54.840 0.071 0.000 0.749 184 L CB -0.408 41.616 42.059 -0.058 0.000 0.901 184 L HN 0.109 nan 8.230 nan 0.000 0.433 185 R N 0.185 120.671 120.500 -0.024 0.000 2.096 185 R HA -0.083 4.256 4.340 -0.000 0.000 0.235 185 R C 2.228 178.549 176.300 0.035 0.000 1.127 185 R CA 1.472 57.588 56.100 0.026 0.000 0.968 185 R CB -0.801 29.535 30.300 0.059 0.000 0.861 185 R HN 0.384 nan 8.270 nan 0.000 0.440 186 A N 1.111 123.938 122.820 0.011 0.000 1.855 186 A HA -0.104 4.216 4.320 -0.000 0.000 0.213 186 A C 1.569 179.107 177.584 -0.076 0.000 1.195 186 A CA 1.477 53.505 52.037 -0.015 0.000 0.610 186 A CB -0.228 18.763 19.000 -0.016 0.000 0.837 186 A HN 0.136 nan 8.150 nan 0.000 0.444 187 D N -1.405 118.918 120.400 -0.127 0.000 2.249 187 D HA 0.069 4.708 4.640 -0.000 0.000 0.205 187 D C -0.335 175.574 176.300 -0.652 0.000 0.962 187 D CA 0.846 54.606 54.000 -0.400 0.000 0.860 187 D CB -0.029 40.470 40.800 -0.501 0.000 0.955 187 D HN 0.427 nan 8.370 nan 0.000 0.505 188 F N 0.383 120.292 119.950 -0.067 0.000 2.564 188 F HA 0.253 4.779 4.527 -0.000 0.000 0.329 188 F C -1.676 174.161 175.800 0.063 0.000 1.458 188 F CA -1.552 56.424 58.000 -0.040 0.000 1.117 188 F CB 1.645 40.469 39.000 -0.292 0.000 1.383 188 F HN -0.170 nan 8.300 nan 0.000 0.571 189 P HA -0.096 nan 4.420 nan 0.000 0.226 189 P C 1.339 178.733 177.300 0.157 0.000 1.153 189 P CA 0.927 64.105 63.100 0.129 0.000 0.777 189 P CB 0.351 32.089 31.700 0.062 0.000 0.794 190 A N -1.121 121.830 122.820 0.219 0.000 2.119 190 A HA 0.061 4.381 4.320 -0.000 0.000 0.216 190 A C 0.811 178.466 177.584 0.119 0.000 1.152 190 A CA 0.146 52.267 52.037 0.141 0.000 0.708 190 A CB -1.022 18.041 19.000 0.105 0.000 0.805 190 A HN 0.038 nan 8.150 nan 0.000 0.460 191 F N 0.867 120.834 119.950 0.028 0.000 2.429 191 F HA 0.272 4.798 4.527 -0.001 0.000 0.348 191 F C 0.615 176.387 175.800 -0.046 0.000 1.109 191 F CA -0.948 57.040 58.000 -0.020 0.000 1.232 191 F CB 0.565 39.540 39.000 -0.041 0.000 1.157 191 F HN 0.061 nan 8.300 nan 0.000 0.564 192 D N 4.106 124.539 120.400 0.055 0.000 2.317 192 D HA 0.248 4.888 4.640 -0.000 0.000 0.252 192 D C -0.568 175.710 176.300 -0.037 0.000 1.174 192 D CA 0.039 54.027 54.000 -0.020 0.000 0.866 192 D CB 0.359 41.115 40.800 -0.074 0.000 1.127 192 D HN 0.332 nan 8.370 nan 0.000 0.467 193 I N 3.963 124.485 120.570 -0.080 0.000 2.378 193 I HA 0.362 4.532 4.170 -0.000 0.000 0.291 193 I C 0.368 176.328 176.117 -0.263 0.000 0.992 193 I CA -0.853 60.366 61.300 -0.135 0.000 1.154 193 I CB 1.510 39.449 38.000 -0.101 0.000 1.315 193 I HN 0.119 nan 8.210 nan 0.000 0.448 194 R N 3.904 124.185 120.500 -0.366 0.000 2.873 194 R HA 0.802 5.142 4.340 -0.000 0.000 0.264 194 R C -1.245 174.860 176.300 -0.324 0.000 1.026 194 R CA -0.772 54.984 56.100 -0.573 0.000 1.002 194 R CB 2.020 31.654 30.300 -1.109 0.000 1.174 194 R HN 0.305 nan 8.270 nan 0.000 0.488 195 V N 0.700 120.477 119.914 -0.228 0.000 2.656 195 V HA 0.376 4.496 4.120 -0.000 0.000 0.307 195 V C -1.284 174.813 176.094 0.004 0.000 1.051 195 V CA -0.662 61.564 62.300 -0.124 0.000 0.893 195 V CB 2.035 33.792 31.823 -0.109 0.000 0.999 195 V HN 0.657 nan 8.190 nan 0.000 0.426 196 D N 1.883 122.267 120.400 -0.026 0.000 2.620 196 D HA 0.368 5.008 4.640 -0.000 0.000 0.252 196 D C -0.221 176.106 176.300 0.046 0.000 1.207 196 D CA -0.311 53.741 54.000 0.088 0.000 0.884 196 D CB 1.494 42.386 40.800 0.153 0.000 1.262 196 D HN 0.465 nan 8.370 nan 0.000 0.552 197 Y N 2.519 122.896 120.300 0.128 0.000 2.517 197 Y HA 0.109 4.659 4.550 -0.000 0.000 0.281 197 Y C 0.965 176.946 175.900 0.136 0.000 1.125 197 Y CA 0.106 58.282 58.100 0.127 0.000 1.283 197 Y CB -0.038 38.474 38.460 0.085 0.000 1.042 197 Y HN 0.481 nan 8.280 nan 0.000 0.547 198 N N 1.497 120.353 118.700 0.260 0.000 2.716 198 N HA -0.321 4.419 4.740 -0.000 0.000 0.250 198 N C -0.406 175.164 175.510 0.100 0.000 1.033 198 N CA 0.949 54.112 53.050 0.188 0.000 0.727 198 N CB -0.981 37.675 38.487 0.282 0.000 0.950 198 N HN 0.436 nan 8.380 nan 0.000 0.541 199 Q N -4.768 115.075 119.800 0.071 0.000 2.460 199 Q HA -0.222 4.118 4.340 -0.000 0.000 0.248 199 Q C 1.134 177.154 176.000 0.034 0.000 0.847 199 Q CA 0.835 56.636 55.803 -0.003 0.000 1.214 199 Q CB -1.836 26.853 28.738 -0.082 0.000 1.523 199 Q HN 0.671 nan 8.270 nan 0.000 0.602 200 G N -0.078 108.800 108.800 0.129 0.000 2.920 200 G HA2 0.253 4.213 3.960 -0.000 0.000 0.208 200 G HA3 0.253 4.213 3.960 -0.000 0.000 0.208 200 G C 0.401 175.356 174.900 0.092 0.000 1.159 200 G CA -0.116 45.077 45.100 0.156 0.000 0.784 200 G HN 0.159 nan 8.290 nan 0.000 0.535 201 L N 1.374 122.583 121.223 -0.023 0.000 2.272 201 L HA 0.306 4.646 4.340 -0.000 0.000 0.289 201 L C 0.291 177.134 176.870 -0.046 0.000 1.032 201 L CA -1.063 53.724 54.840 -0.089 0.000 0.810 201 L CB 1.229 43.111 42.059 -0.295 0.000 1.205 201 L HN 0.151 nan 8.230 nan 0.000 0.422 202 H N 3.930 122.937 119.070 -0.105 0.000 2.897 202 H HA -0.020 4.536 4.556 -0.000 0.000 0.347 202 H C 1.075 176.298 175.328 -0.175 0.000 1.068 202 H CA 0.216 56.172 56.048 -0.154 0.000 1.426 202 H CB 0.963 30.603 29.762 -0.205 0.000 1.410 202 H HN 0.709 nan 8.280 nan 0.000 0.597 203 H N 2.911 121.799 119.070 -0.303 0.000 2.457 203 H HA -0.142 4.414 4.556 -0.000 0.000 0.297 203 H C 0.692 176.042 175.328 0.036 0.000 1.092 203 H CA 0.998 56.964 56.048 -0.138 0.000 1.309 203 H CB 0.022 29.664 29.762 -0.200 0.000 1.382 203 H HN 0.539 nan 8.280 nan 0.000 0.535 204 D N 1.282 121.734 120.400 0.086 0.000 2.190 204 D HA -0.118 4.522 4.640 -0.000 0.000 0.200 204 D C 2.108 178.415 176.300 0.012 0.000 0.992 204 D CA 2.079 56.121 54.000 0.070 0.000 0.854 204 D CB 0.020 40.804 40.800 -0.027 0.000 0.936 204 D HN 0.569 nan 8.370 nan 0.000 0.462 205 V N -4.080 115.829 119.914 -0.009 0.000 3.398 205 V HA 0.535 4.655 4.120 -0.000 0.000 0.298 205 V C 1.779 177.815 176.094 -0.097 0.000 1.496 205 V CA 0.406 62.668 62.300 -0.064 0.000 1.044 205 V CB 0.286 32.056 31.823 -0.089 0.000 0.880 205 V HN 0.021 nan 8.190 nan 0.000 0.443 206 A N 1.647 124.416 122.820 -0.085 0.000 1.865 206 A HA -0.156 4.163 4.320 -0.000 0.000 0.217 206 A C 2.049 179.554 177.584 -0.132 0.000 1.191 206 A CA 2.472 54.424 52.037 -0.142 0.000 0.623 206 A CB -0.658 18.270 19.000 -0.121 0.000 0.826 206 A HN 0.632 nan 8.150 nan 0.000 0.444 207 L N -0.153 121.022 121.223 -0.080 0.000 1.989 207 L HA -0.127 4.213 4.340 -0.000 0.000 0.211 207 L C 2.710 179.545 176.870 -0.058 0.000 1.071 207 L CA 2.467 57.272 54.840 -0.059 0.000 0.749 207 L CB -1.051 40.986 42.059 -0.036 0.000 0.890 207 L HN 0.392 nan 8.230 nan 0.000 0.431 208 A N -0.198 122.581 122.820 -0.069 0.000 1.873 208 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 208 A C 2.401 179.925 177.584 -0.100 0.000 1.193 208 A CA 2.264 54.255 52.037 -0.076 0.000 0.629 208 A CB -0.625 18.320 19.000 -0.092 0.000 0.826 208 A HN 0.576 nan 8.150 nan 0.000 0.447 209 R N -0.904 119.495 120.500 -0.169 0.000 2.090 209 R HA -0.010 4.329 4.340 -0.000 0.000 0.228 209 R C 2.059 178.382 176.300 0.040 0.000 1.110 209 R CA 1.202 57.185 56.100 -0.195 0.000 0.973 209 R CB -0.657 29.462 30.300 -0.302 0.000 0.869 209 R HN 0.410 nan 8.270 nan 0.000 0.440 210 V N 1.485 121.387 119.914 -0.020 0.000 2.287 210 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 210 V C 2.498 178.645 176.094 0.088 0.000 1.053 210 V CA 1.710 64.046 62.300 0.060 0.000 1.027 210 V CB -0.530 31.290 31.823 -0.005 0.000 0.646 210 V HN 0.299 nan 8.190 nan 0.000 0.447 211 R N -0.269 120.256 120.500 0.041 0.000 2.096 211 R HA -0.205 4.135 4.340 -0.000 0.000 0.240 211 R C 2.117 178.455 176.300 0.063 0.000 1.139 211 R CA 2.003 58.125 56.100 0.038 0.000 0.952 211 R CB -0.651 29.655 30.300 0.011 0.000 0.854 211 R HN 0.545 nan 8.270 nan 0.000 0.436 212 D N 0.017 120.478 120.400 0.102 0.000 2.087 212 D HA -0.150 4.490 4.640 -0.000 0.000 0.192 212 D C 1.938 178.358 176.300 0.201 0.000 0.993 212 D CA 1.759 55.860 54.000 0.168 0.000 0.828 212 D CB -0.330 40.678 40.800 0.347 0.000 0.968 212 D HN 0.197 nan 8.370 nan 0.000 0.448 213 V N -0.664 119.418 119.914 0.280 0.000 2.759 213 V HA -0.032 4.088 4.120 -0.000 0.000 0.256 213 V C 2.129 178.363 176.094 0.233 0.000 1.080 213 V CA 1.716 64.197 62.300 0.303 0.000 1.101 213 V CB -0.930 31.054 31.823 0.269 0.000 0.698 213 V HN 0.123 nan 8.190 nan 0.000 0.477 214 A N 1.737 124.643 122.820 0.143 0.000 2.070 214 A HA -0.128 4.192 4.320 -0.000 0.000 0.220 214 A C 2.462 180.058 177.584 0.020 0.000 1.159 214 A CA 2.214 54.301 52.037 0.084 0.000 0.656 214 A CB -1.251 17.784 19.000 0.059 0.000 0.800 214 A HN 0.852 nan 8.150 nan 0.000 0.453 215 T N -3.351 111.170 114.554 -0.055 0.000 2.929 215 T HA -0.101 4.249 4.350 -0.000 0.000 0.271 215 T C 1.255 175.735 174.700 -0.365 0.000 1.085 215 T CA 1.223 63.184 62.100 -0.231 0.000 1.125 215 T CB -0.660 67.993 68.868 -0.358 0.000 0.874 215 T HN 0.353 nan 8.240 nan 0.000 0.494 216 F N 1.749 121.690 119.950 -0.014 0.000 2.811 216 F HA 0.387 4.914 4.527 -0.001 0.000 0.301 216 F C 1.024 176.808 175.800 -0.028 0.000 1.151 216 F CA -0.395 57.588 58.000 -0.028 0.000 1.412 216 F CB -0.374 38.599 39.000 -0.047 0.000 1.113 216 F HN 0.026 nan 8.300 nan 0.000 0.579 217 K N -0.068 120.385 120.400 0.087 0.000 3.148 217 K HA -0.179 4.141 4.320 -0.000 0.000 0.267 217 K C -2.523 174.100 176.600 0.038 0.000 0.996 217 K CA -0.125 56.191 56.287 0.049 0.000 0.737 217 K CB -1.798 30.717 32.500 0.025 0.000 1.308 217 K HN 0.202 nan 8.250 nan 0.000 0.470 218 P HA -0.042 nan 4.420 nan 0.000 0.269 218 P C 0.790 178.044 177.300 -0.075 0.000 1.217 218 P CA 0.150 63.222 63.100 -0.047 0.000 0.783 218 P CB 0.619 32.284 31.700 -0.059 0.000 0.898 219 T N 0.578 115.023 114.554 -0.181 0.000 2.821 219 T HA 0.041 4.391 4.350 -0.000 0.000 0.267 219 T C 0.634 175.315 174.700 -0.032 0.000 1.046 219 T CA 1.393 63.405 62.100 -0.148 0.000 1.139 219 T CB -0.591 68.134 68.868 -0.238 0.000 0.871 219 T HN 0.650 nan 8.240 nan 0.000 0.454 220 F N -1.372 118.538 119.950 -0.065 0.000 2.668 220 F HA 0.684 5.210 4.527 -0.000 0.000 0.309 220 F C -1.770 174.009 175.800 -0.036 0.000 1.117 220 F CA -1.841 56.126 58.000 -0.055 0.000 0.951 220 F CB 1.158 40.104 39.000 -0.091 0.000 1.323 220 F HN -0.283 nan 8.300 nan 0.000 0.451 221 I N 1.831 122.606 120.570 0.342 0.000 2.382 221 I HA 0.292 4.462 4.170 -0.000 0.000 0.286 221 I C -0.736 175.549 176.117 0.280 0.000 1.002 221 I CA -0.438 61.028 61.300 0.278 0.000 1.135 221 I CB 1.812 39.946 38.000 0.223 0.000 1.288 221 I HN 0.727 nan 8.210 nan 0.000 0.448 222 E N 5.876 126.255 120.200 0.297 0.000 2.197 222 E HA 0.169 4.519 4.350 -0.000 0.000 0.281 222 E C -0.262 176.443 176.600 0.174 0.000 0.995 222 E CA -0.708 55.801 56.400 0.182 0.000 0.808 222 E CB 0.963 30.782 29.700 0.199 0.000 1.093 222 E HN 0.458 nan 8.360 nan 0.000 0.394 223 Q N 3.945 123.796 119.800 0.086 0.000 2.417 223 Q HA -0.171 4.169 4.340 -0.000 0.000 0.368 223 Q C -1.919 174.131 176.000 0.082 0.000 1.359 223 Q CA 0.626 56.459 55.803 0.050 0.000 1.122 223 Q CB -0.223 28.527 28.738 0.020 0.000 1.295 223 Q HN 0.512 nan 8.270 nan 0.000 0.337 224 P HA -0.128 nan 4.420 nan 0.000 0.217 224 P C 0.498 177.723 177.300 -0.125 0.000 1.150 224 P CA 1.741 64.786 63.100 -0.093 0.000 0.832 224 P CB 0.022 31.610 31.700 -0.187 0.000 0.787 225 V N -4.323 115.526 119.914 -0.109 0.000 3.166 225 V HA 0.503 4.622 4.120 -0.000 0.000 0.317 225 V C 0.229 176.229 176.094 -0.156 0.000 1.136 225 V CA -1.846 60.373 62.300 -0.135 0.000 1.035 225 V CB 0.940 32.672 31.823 -0.152 0.000 1.110 225 V HN -0.269 nan 8.190 nan 0.000 0.450 226 K N 0.667 120.940 120.400 -0.211 0.000 2.469 226 K HA 0.365 4.685 4.320 -0.000 0.000 0.274 226 K C 1.486 177.904 176.600 -0.304 0.000 0.983 226 K CA 0.568 56.703 56.287 -0.253 0.000 0.974 226 K CB 0.926 33.237 32.500 -0.316 0.000 0.913 226 K HN 0.906 nan 8.250 nan 0.000 0.493 227 A N 3.035 125.736 122.820 -0.198 0.000 1.927 227 A HA -0.244 4.076 4.320 -0.000 0.000 0.220 227 A C 1.795 179.294 177.584 -0.141 0.000 1.185 227 A CA 2.042 53.996 52.037 -0.138 0.000 0.639 227 A CB -0.916 18.040 19.000 -0.074 0.000 0.820 227 A HN 0.978 nan 8.150 nan 0.000 0.451 228 H N -1.370 117.633 119.070 -0.111 0.000 2.551 228 H HA 0.218 4.773 4.556 -0.001 0.000 0.266 228 H C 0.542 175.796 175.328 -0.123 0.000 0.977 228 H CA 0.386 56.366 56.048 -0.114 0.000 1.163 228 H CB -0.465 29.242 29.762 -0.091 0.000 1.381 228 H HN 0.411 nan 8.280 nan 0.000 0.581 229 L N 2.156 123.116 121.223 -0.438 0.000 2.727 229 L HA 0.225 4.565 4.340 -0.000 0.000 0.237 229 L C 1.506 178.257 176.870 -0.199 0.000 1.370 229 L CA -0.180 54.470 54.840 -0.316 0.000 1.248 229 L CB 0.112 41.941 42.059 -0.384 0.000 1.556 229 L HN 0.112 nan 8.230 nan 0.000 0.420 230 R N 0.455 120.853 120.500 -0.170 0.000 2.115 230 R HA -0.046 4.294 4.340 -0.000 0.000 0.226 230 R C 2.294 178.536 176.300 -0.097 0.000 1.100 230 R CA 1.085 57.084 56.100 -0.169 0.000 0.980 230 R CB -0.113 30.000 30.300 -0.311 0.000 0.875 230 R HN 0.624 nan 8.270 nan 0.000 0.445 231 G N 1.249 110.007 108.800 -0.070 0.000 2.422 231 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.218 231 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.218 231 G C 1.293 176.160 174.900 -0.054 0.000 1.146 231 G CA 0.310 45.384 45.100 -0.043 0.000 0.769 231 G HN 0.155 nan 8.290 nan 0.000 0.547 232 L N 0.378 121.553 121.223 -0.081 0.000 2.093 232 L HA 0.112 4.452 4.340 -0.000 0.000 0.208 232 L C 2.707 179.534 176.870 -0.071 0.000 1.085 232 L CA 1.355 56.147 54.840 -0.081 0.000 0.755 232 L CB -0.388 41.606 42.059 -0.109 0.000 0.904 232 L HN 0.084 nan 8.230 nan 0.000 0.435 233 M N -0.510 119.040 119.600 -0.083 0.000 2.082 233 M HA -0.223 4.257 4.480 -0.000 0.000 0.258 233 M C 2.373 178.649 176.300 -0.040 0.000 1.069 233 M CA 1.976 57.237 55.300 -0.065 0.000 1.102 233 M CB -1.510 31.045 32.600 -0.075 0.000 1.336 233 M HN 0.458 nan 8.290 nan 0.000 0.404 234 A N -0.040 122.759 122.820 -0.034 0.000 1.930 234 A HA -0.154 4.165 4.320 -0.000 0.000 0.217 234 A C 2.277 179.853 177.584 -0.015 0.000 1.175 234 A CA 1.401 53.429 52.037 -0.015 0.000 0.627 234 A CB -0.580 18.417 19.000 -0.005 0.000 0.815 234 A HN 0.462 nan 8.150 nan 0.000 0.443 235 R N -0.624 119.863 120.500 -0.022 0.000 2.081 235 R HA -0.060 4.280 4.340 -0.000 0.000 0.235 235 R C 1.937 178.227 176.300 -0.017 0.000 1.131 235 R CA 1.640 57.729 56.100 -0.019 0.000 0.960 235 R CB -0.463 29.822 30.300 -0.024 0.000 0.856 235 R HN 0.578 nan 8.270 nan 0.000 0.436 236 I N 0.118 120.674 120.570 -0.023 0.000 2.353 236 I HA -0.233 3.937 4.170 -0.000 0.000 0.248 236 I C 2.761 178.874 176.117 -0.006 0.000 1.119 236 I CA 0.860 62.148 61.300 -0.019 0.000 1.417 236 I CB -0.277 37.705 38.000 -0.030 0.000 1.078 236 I HN 0.140 nan 8.210 nan 0.000 0.421 237 R N 1.126 121.622 120.500 -0.006 0.000 2.096 237 R HA -0.234 4.106 4.340 -0.000 0.000 0.240 237 R C 1.465 177.768 176.300 0.005 0.000 1.139 237 R CA 2.287 58.389 56.100 0.003 0.000 0.952 237 R CB -0.193 30.108 30.300 0.002 0.000 0.854 237 R HN 0.319 nan 8.270 nan 0.000 0.436 238 D N -0.645 119.756 120.400 0.001 0.000 2.323 238 D HA 0.013 4.652 4.640 -0.000 0.000 0.209 238 D C 1.317 177.618 176.300 0.002 0.000 0.973 238 D CA 0.949 54.951 54.000 0.002 0.000 0.874 238 D CB 0.245 41.045 40.800 0.001 0.000 0.930 238 D HN 0.375 nan 8.370 nan 0.000 0.521 239 A N 0.092 122.912 122.820 -0.000 0.000 2.072 239 A HA 0.169 4.489 4.320 -0.000 0.000 0.216 239 A C 0.937 178.522 177.584 0.002 0.000 1.156 239 A CA 0.351 52.388 52.037 -0.001 0.000 0.701 239 A CB 0.496 19.492 19.000 -0.006 0.000 0.816 239 A HN 0.057 nan 8.150 nan 0.000 0.458 240 V N 0.320 120.238 119.914 0.008 0.000 2.656 240 V HA 0.239 4.358 4.120 -0.000 0.000 0.307 240 V C -0.101 176.004 176.094 0.018 0.000 1.051 240 V CA -0.637 61.671 62.300 0.014 0.000 0.893 240 V CB 1.883 33.719 31.823 0.021 0.000 0.999 240 V HN 0.300 nan 8.190 nan 0.000 0.426 241 D N 1.474 121.884 120.400 0.017 0.000 2.183 241 D HA -0.026 4.614 4.640 -0.000 0.000 0.203 241 D C 0.924 177.240 176.300 0.028 0.000 0.969 241 D CA 0.954 54.964 54.000 0.018 0.000 0.842 241 D CB 0.226 41.033 40.800 0.011 0.000 0.957 241 D HN 0.325 nan 8.370 nan 0.000 0.484 242 V N 2.847 122.782 119.914 0.036 0.000 2.673 242 V HA 0.013 4.133 4.120 -0.000 0.000 0.303 242 V C -1.956 174.177 176.094 0.065 0.000 1.046 242 V CA -0.986 61.344 62.300 0.051 0.000 1.126 242 V CB 0.523 32.383 31.823 0.061 0.000 0.934 242 V HN -0.015 nan 8.190 nan 0.000 0.487 243 P HA 0.084 nan 4.420 nan 0.000 0.264 243 P C -0.622 176.740 177.300 0.104 0.000 1.193 243 P CA -0.100 63.053 63.100 0.088 0.000 0.763 243 P CB 0.373 32.144 31.700 0.118 0.000 0.810 244 L N 5.223 126.480 121.223 0.056 0.000 2.275 244 L HA 0.446 4.786 4.340 -0.000 0.000 0.288 244 L C -0.905 175.951 176.870 -0.023 0.000 1.046 244 L CA -0.426 54.438 54.840 0.040 0.000 0.805 244 L CB 0.706 42.779 42.059 0.022 0.000 1.193 244 L HN 0.180 nan 8.230 nan 0.000 0.426 245 L N 5.193 126.375 121.223 -0.068 0.000 2.313 245 L HA 0.753 5.093 4.340 -0.000 0.000 0.283 245 L C -0.094 176.715 176.870 -0.102 0.000 1.013 245 L CA -0.097 54.625 54.840 -0.197 0.000 0.816 245 L CB 1.476 43.191 42.059 -0.574 0.000 1.236 245 L HN 0.789 nan 8.230 nan 0.000 0.419 246 A N 3.131 125.908 122.820 -0.071 0.000 2.401 246 A HA 0.408 4.728 4.320 -0.000 0.000 0.259 246 A C -0.104 177.471 177.584 -0.015 0.000 1.103 246 A CA -0.161 51.857 52.037 -0.031 0.000 0.789 246 A CB 0.502 19.498 19.000 -0.007 0.000 1.035 246 A HN 0.832 nan 8.150 nan 0.000 0.491 247 D N 0.583 120.985 120.400 0.003 0.000 3.012 247 D HA 0.049 4.689 4.640 -0.000 0.000 0.230 247 D C 1.327 177.646 176.300 0.032 0.000 1.477 247 D CA 0.452 54.476 54.000 0.040 0.000 1.329 247 D CB -0.221 40.627 40.800 0.080 0.000 0.951 247 D HN 0.473 nan 8.370 nan 0.000 0.224 248 E N 0.036 120.179 120.200 -0.095 0.000 2.267 248 E HA -0.044 4.305 4.350 -0.000 0.000 0.197 248 E C 1.934 178.608 176.600 0.125 0.000 0.998 248 E CA 0.877 57.197 56.400 -0.134 0.000 0.830 248 E CB -0.080 29.308 29.700 -0.520 0.000 0.751 248 E HN 0.043 nan 8.360 nan 0.000 0.491 249 S N -0.286 115.436 115.700 0.037 0.000 2.481 249 S HA 0.009 4.479 4.470 -0.000 0.000 0.231 249 S C 0.453 175.121 174.600 0.113 0.000 0.996 249 S CA 0.562 58.772 58.200 0.016 0.000 0.942 249 S CB 0.227 63.386 63.200 -0.069 0.000 0.768 249 S HN 0.113 nan 8.310 nan 0.000 0.520 250 I N 0.623 121.315 120.570 0.202 0.000 2.497 250 I HA 0.283 4.453 4.170 -0.000 0.000 0.284 250 I C -0.191 176.127 176.117 0.336 0.000 1.060 250 I CA -0.445 61.005 61.300 0.250 0.000 1.071 250 I CB 1.037 39.129 38.000 0.152 0.000 1.216 250 I HN 0.097 nan 8.210 nan 0.000 0.442 251 F N 3.425 123.451 119.950 0.127 0.000 2.222 251 F HA 0.297 4.823 4.527 -0.000 0.000 0.285 251 F C 1.699 177.569 175.800 0.117 0.000 1.068 251 F CA 0.627 58.713 58.000 0.144 0.000 1.265 251 F CB 0.495 39.588 39.000 0.155 0.000 1.087 251 F HN 0.508 nan 8.300 nan 0.000 0.511 252 G N -1.497 107.488 108.800 0.308 0.000 3.176 252 G HA2 0.341 4.301 3.960 -0.000 0.000 0.272 252 G HA3 0.341 4.301 3.960 -0.000 0.000 0.272 252 G C -2.341 172.644 174.900 0.141 0.000 1.349 252 G CA -0.835 44.381 45.100 0.193 0.000 0.953 252 G HN -0.261 nan 8.290 nan 0.000 0.559 253 P HA -0.006 nan 4.420 nan 0.000 0.220 253 P C 1.231 178.571 177.300 0.068 0.000 1.148 253 P CA 1.131 64.278 63.100 0.079 0.000 0.803 253 P CB 0.336 32.075 31.700 0.065 0.000 0.782 254 E N -0.522 119.721 120.200 0.072 0.000 2.047 254 E HA -0.158 4.192 4.350 -0.000 0.000 0.191 254 E C 1.729 178.358 176.600 0.049 0.000 0.987 254 E CA 1.190 57.618 56.400 0.048 0.000 0.799 254 E CB -0.888 28.839 29.700 0.045 0.000 0.752 254 E HN 0.239 nan 8.360 nan 0.000 0.449 255 D N -0.138 120.327 120.400 0.109 0.000 2.117 255 D HA -0.141 4.499 4.640 -0.000 0.000 0.197 255 D C 1.817 178.209 176.300 0.153 0.000 0.987 255 D CA 0.876 54.981 54.000 0.176 0.000 0.829 255 D CB -0.179 40.775 40.800 0.256 0.000 0.961 255 D HN 0.085 nan 8.370 nan 0.000 0.460 256 M N 0.896 120.567 119.600 0.119 0.000 2.159 256 M HA -0.079 4.400 4.480 -0.000 0.000 0.263 256 M C 1.860 178.189 176.300 0.049 0.000 1.063 256 M CA 1.236 56.592 55.300 0.093 0.000 1.110 256 M CB -0.345 32.302 32.600 0.078 0.000 1.374 256 M HN -0.003 nan 8.290 nan 0.000 0.411 257 A N -0.846 121.985 122.820 0.018 0.000 1.929 257 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 257 A C 2.059 179.598 177.584 -0.075 0.000 1.176 257 A CA 1.617 53.645 52.037 -0.015 0.000 0.628 257 A CB -0.727 18.266 19.000 -0.011 0.000 0.816 257 A HN 0.620 nan 8.150 nan 0.000 0.444 258 E N -0.886 119.218 120.200 -0.161 0.000 2.208 258 E HA -0.103 4.247 4.350 -0.000 0.000 0.193 258 E C -0.054 176.228 176.600 -0.530 0.000 0.988 258 E CA 0.744 56.908 56.400 -0.393 0.000 0.828 258 E CB -0.044 29.297 29.700 -0.599 0.000 0.763 258 E HN 0.670 nan 8.360 nan 0.000 0.478 259 H N -0.483 118.601 119.070 0.024 0.000 2.386 259 H HA 0.141 4.697 4.556 -0.000 0.000 0.232 259 H C -1.844 173.494 175.328 0.018 0.000 1.416 259 H CA -1.569 54.490 56.048 0.019 0.000 1.285 259 H CB 0.674 30.450 29.762 0.024 0.000 1.625 259 H HN 0.146 nan 8.280 nan 0.000 0.521 260 P HA -0.090 nan 4.420 nan 0.000 0.222 260 P C 0.694 178.026 177.300 0.053 0.000 1.147 260 P CA 1.116 64.248 63.100 0.054 0.000 0.790 260 P CB 0.732 32.447 31.700 0.026 0.000 0.780 261 E N -0.569 119.667 120.200 0.059 0.000 2.693 261 E HA 0.146 4.496 4.350 -0.000 0.000 0.214 261 E C 1.565 178.185 176.600 0.035 0.000 0.990 261 E CA -0.136 56.287 56.400 0.040 0.000 1.047 261 E CB 0.025 29.743 29.700 0.031 0.000 1.039 261 E HN 0.443 nan 8.360 nan 0.000 0.475 262 I N -2.647 117.949 120.570 0.043 0.000 3.059 262 I HA 0.281 4.451 4.170 -0.000 0.000 0.270 262 I C 0.906 177.024 176.117 0.001 0.000 1.238 262 I CA 0.120 61.429 61.300 0.016 0.000 1.478 262 I CB 0.277 38.276 38.000 -0.001 0.000 1.097 262 I HN -0.127 nan 8.210 nan 0.000 0.455 263 A N 0.537 123.361 122.820 0.007 0.000 2.599 263 A HA 0.408 4.728 4.320 -0.000 0.000 0.290 263 A C -0.407 177.177 177.584 0.000 0.000 1.101 263 A CA -0.509 51.526 52.037 -0.003 0.000 0.674 263 A CB 0.693 19.683 19.000 -0.016 0.000 1.277 263 A HN 0.113 nan 8.150 nan 0.000 0.419 264 D N -0.020 120.378 120.400 -0.004 0.000 2.347 264 D HA 0.311 4.951 4.640 -0.000 0.000 0.213 264 D C 0.799 177.092 176.300 -0.012 0.000 0.985 264 D CA 1.757 55.758 54.000 0.001 0.000 0.879 264 D CB 0.702 41.510 40.800 0.012 0.000 0.919 264 D HN 0.898 nan 8.370 nan 0.000 0.526 265 G N -0.480 108.297 108.800 -0.037 0.000 2.495 265 G HA2 0.409 4.369 3.960 -0.000 0.000 0.294 265 G HA3 0.409 4.369 3.960 -0.000 0.000 0.294 265 G C -2.039 172.816 174.900 -0.074 0.000 1.397 265 G CA -0.431 44.636 45.100 -0.054 0.000 0.790 265 G HN 0.014 nan 8.290 nan 0.000 0.486 266 V N -0.424 119.453 119.914 -0.061 0.000 2.841 266 V HA 0.780 4.899 4.120 -0.000 0.000 0.310 266 V C -0.219 175.866 176.094 -0.016 0.000 1.090 266 V CA -0.379 61.901 62.300 -0.034 0.000 0.930 266 V CB 2.061 33.891 31.823 0.013 0.000 1.014 266 V HN 1.287 nan 8.190 nan 0.000 0.425 267 S N 6.952 122.657 115.700 0.009 0.000 2.439 267 S HA 0.516 4.985 4.470 -0.000 0.000 0.282 267 S C -0.407 174.214 174.600 0.034 0.000 1.170 267 S CA -0.690 57.559 58.200 0.082 0.000 1.054 267 S CB 0.000 63.286 63.200 0.144 0.000 0.956 267 S HN 0.526 nan 8.310 nan 0.000 0.490 268 I N 5.716 126.285 120.570 -0.001 0.000 2.325 268 I HA 0.379 4.549 4.170 -0.000 0.000 0.291 268 I C 0.152 176.257 176.117 -0.020 0.000 1.019 268 I CA -0.179 61.118 61.300 -0.004 0.000 1.302 268 I CB 0.732 38.731 38.000 -0.000 0.000 1.401 268 I HN 0.639 nan 8.210 nan 0.000 0.485 269 K N 6.368 126.761 120.400 -0.011 0.000 2.443 269 K HA 0.409 4.729 4.320 -0.000 0.000 0.252 269 K C 1.171 177.769 176.600 -0.003 0.000 0.933 269 K CA -0.627 55.652 56.287 -0.013 0.000 0.792 269 K CB 2.931 35.395 32.500 -0.061 0.000 1.185 269 K HN 0.533 nan 8.250 nan 0.000 0.425 270 I N -0.880 119.706 120.570 0.027 0.000 2.361 270 I HA -0.228 3.942 4.170 -0.000 0.000 0.251 270 I C 1.333 177.462 176.117 0.021 0.000 1.133 270 I CA 1.204 62.527 61.300 0.038 0.000 1.413 270 I CB -0.154 37.875 38.000 0.049 0.000 1.073 270 I HN 0.516 nan 8.210 nan 0.000 0.424 271 M N 1.388 120.975 119.600 -0.023 0.000 2.296 271 M HA -0.069 4.411 4.480 -0.000 0.000 0.265 271 M C 2.084 178.350 176.300 -0.057 0.000 1.064 271 M CA 1.568 56.844 55.300 -0.040 0.000 1.109 271 M CB -0.978 31.566 32.600 -0.094 0.000 1.396 271 M HN 0.368 nan 8.290 nan 0.000 0.430 272 K N -0.076 120.237 120.400 -0.145 0.000 2.067 272 K HA -0.001 4.319 4.320 -0.000 0.000 0.203 272 K C 1.986 178.637 176.600 0.085 0.000 1.048 272 K CA 1.527 57.666 56.287 -0.248 0.000 0.954 272 K CB -0.094 32.074 32.500 -0.554 0.000 0.737 272 K HN 0.352 nan 8.250 nan 0.000 0.444 273 S N -0.239 115.502 115.700 0.068 0.000 2.561 273 S HA 0.067 4.536 4.470 -0.000 0.000 0.225 273 S C 1.319 176.002 174.600 0.137 0.000 0.977 273 S CA 0.469 58.745 58.200 0.125 0.000 0.926 273 S CB 0.128 63.384 63.200 0.093 0.000 0.769 273 S HN 0.441 nan 8.310 nan 0.000 0.533 274 G N 0.029 108.907 108.800 0.129 0.000 2.160 274 G HA2 0.275 4.235 3.960 -0.000 0.000 0.244 274 G HA3 0.275 4.235 3.960 -0.000 0.000 0.244 274 G C 0.559 175.532 174.900 0.123 0.000 1.022 274 G CA -0.133 45.044 45.100 0.129 0.000 0.741 274 G HN 1.800 nan 8.290 nan 0.000 0.508 275 G N -2.242 106.629 108.800 0.119 0.000 2.369 275 G HA2 0.349 4.309 3.960 -0.000 0.000 0.307 275 G HA3 0.349 4.309 3.960 -0.000 0.000 0.307 275 G C 0.583 175.568 174.900 0.142 0.000 1.327 275 G CA -0.167 45.020 45.100 0.146 0.000 0.963 275 G HN 0.832 nan 8.290 nan 0.000 0.590 276 L N -0.043 121.289 121.223 0.182 0.000 2.068 276 L HA 0.020 4.360 4.340 -0.000 0.000 0.204 276 L C 3.172 180.098 176.870 0.093 0.000 1.076 276 L CA 2.059 56.961 54.840 0.103 0.000 0.753 276 L CB -1.350 40.703 42.059 -0.010 0.000 0.910 276 L HN 0.712 nan 8.230 nan 0.000 0.439 277 T N -0.113 114.541 114.554 0.167 0.000 2.652 277 T HA -0.211 4.139 4.350 -0.000 0.000 0.267 277 T C 2.073 176.831 174.700 0.096 0.000 1.039 277 T CA 1.495 63.673 62.100 0.130 0.000 1.153 277 T CB -0.299 68.668 68.868 0.166 0.000 0.863 277 T HN 0.262 nan 8.240 nan 0.000 0.428 278 R N 1.010 121.574 120.500 0.106 0.000 2.096 278 R HA 0.057 4.396 4.340 -0.000 0.000 0.235 278 R C 2.885 179.234 176.300 0.081 0.000 1.127 278 R CA 1.153 57.307 56.100 0.091 0.000 0.968 278 R CB -0.561 29.800 30.300 0.102 0.000 0.861 278 R HN 0.414 nan 8.270 nan 0.000 0.440 279 A N 1.241 124.109 122.820 0.079 0.000 1.908 279 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 279 A C 2.043 179.660 177.584 0.055 0.000 1.181 279 A CA 1.423 53.498 52.037 0.065 0.000 0.627 279 A CB -0.437 18.601 19.000 0.063 0.000 0.818 279 A HN 0.362 nan 8.150 nan 0.000 0.445 280 Q N -1.069 118.762 119.800 0.053 0.000 2.084 280 Q HA -0.129 4.210 4.340 -0.000 0.000 0.202 280 Q C 2.177 178.204 176.000 0.044 0.000 0.978 280 Q CA 1.848 57.677 55.803 0.044 0.000 0.844 280 Q CB -0.470 28.291 28.738 0.039 0.000 0.898 280 Q HN 0.667 nan 8.270 nan 0.000 0.426 281 T N 0.760 115.344 114.554 0.050 0.000 2.746 281 T HA -0.113 4.237 4.350 -0.000 0.000 0.267 281 T C 2.074 176.803 174.700 0.048 0.000 1.039 281 T CA 1.237 63.365 62.100 0.048 0.000 1.142 281 T CB -0.213 68.686 68.868 0.052 0.000 0.866 281 T HN 0.049 nan 8.240 nan 0.000 0.444 282 V N 1.816 121.762 119.914 0.055 0.000 2.295 282 V HA -0.199 3.921 4.120 -0.000 0.000 0.246 282 V C 2.912 179.033 176.094 0.045 0.000 1.049 282 V CA 1.779 64.112 62.300 0.056 0.000 1.024 282 V CB -1.297 30.565 31.823 0.065 0.000 0.648 282 V HN 0.532 nan 8.190 nan 0.000 0.447 283 A N 0.073 122.917 122.820 0.040 0.000 1.883 283 A HA -0.272 4.047 4.320 -0.000 0.000 0.217 283 A C 2.359 179.961 177.584 0.031 0.000 1.186 283 A CA 2.185 54.242 52.037 0.034 0.000 0.624 283 A CB -0.537 18.482 19.000 0.031 0.000 0.822 283 A HN 0.537 nan 8.150 nan 0.000 0.444 284 R N -1.117 119.402 120.500 0.032 0.000 2.096 284 R HA -0.018 4.322 4.340 -0.000 0.000 0.235 284 R C 2.271 178.588 176.300 0.028 0.000 1.127 284 R CA 1.653 57.770 56.100 0.028 0.000 0.968 284 R CB -0.369 29.949 30.300 0.029 0.000 0.861 284 R HN 0.566 nan 8.270 nan 0.000 0.440 285 M N -0.143 119.476 119.600 0.031 0.000 2.175 285 M HA -0.106 4.374 4.480 -0.000 0.000 0.264 285 M C 2.486 178.803 176.300 0.029 0.000 1.063 285 M CA 1.666 56.984 55.300 0.030 0.000 1.119 285 M CB -0.257 32.364 32.600 0.035 0.000 1.377 285 M HN 0.258 nan 8.290 nan 0.000 0.415 286 A N 0.490 123.329 122.820 0.031 0.000 1.858 286 A HA -0.045 4.274 4.320 -0.000 0.000 0.216 286 A C 2.374 179.972 177.584 0.024 0.000 1.190 286 A CA 1.908 53.962 52.037 0.028 0.000 0.617 286 A CB -1.019 17.997 19.000 0.028 0.000 0.827 286 A HN 0.480 nan 8.150 nan 0.000 0.443 287 A N -0.176 122.659 122.820 0.024 0.000 1.972 287 A HA 0.159 4.479 4.320 -0.000 0.000 0.219 287 A C 2.445 180.041 177.584 0.019 0.000 1.169 287 A CA 1.983 54.033 52.037 0.021 0.000 0.635 287 A CB -0.961 18.052 19.000 0.021 0.000 0.810 287 A HN 1.122 nan 8.150 nan 0.000 0.446 288 A N -0.603 122.229 122.820 0.020 0.000 1.978 288 A HA -0.154 4.166 4.320 -0.000 0.000 0.220 288 A C 2.163 179.756 177.584 0.016 0.000 1.170 288 A CA 1.628 53.676 52.037 0.017 0.000 0.636 288 A CB -0.312 18.698 19.000 0.018 0.000 0.810 288 A HN 0.519 nan 8.150 nan 0.000 0.448 289 R N -2.122 118.389 120.500 0.017 0.000 2.397 289 R HA 0.275 4.614 4.340 -0.000 0.000 0.241 289 R C 0.885 177.195 176.300 0.016 0.000 0.914 289 R CA 0.512 56.622 56.100 0.016 0.000 1.071 289 R CB 0.310 30.620 30.300 0.017 0.000 1.116 289 R HN 0.663 nan 8.270 nan 0.000 0.524 290 G N 1.416 110.226 108.800 0.017 0.000 2.142 290 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.225 290 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.225 290 G C -0.123 174.788 174.900 0.018 0.000 1.015 290 G CA -0.302 44.808 45.100 0.017 0.000 0.716 290 G HN 0.123 nan 8.290 nan 0.000 0.508 291 L N 0.931 122.165 121.223 0.018 0.000 2.325 291 L HA 0.562 4.902 4.340 -0.000 0.000 0.279 291 L C 0.965 177.845 176.870 0.016 0.000 1.054 291 L CA -0.768 54.081 54.840 0.015 0.000 0.804 291 L CB 1.598 43.666 42.059 0.016 0.000 1.200 291 L HN 0.156 nan 8.230 nan 0.000 0.436 292 S N 1.310 117.017 115.700 0.011 0.000 2.593 292 S HA 0.598 5.068 4.470 -0.000 0.000 0.269 292 S C -0.006 174.602 174.600 0.013 0.000 1.334 292 S CA -0.592 57.618 58.200 0.017 0.000 1.015 292 S CB 1.427 64.639 63.200 0.019 0.000 0.912 292 S HN 0.704 nan 8.310 nan 0.000 0.541 293 A N 1.659 124.501 122.820 0.037 0.000 2.374 293 A HA 0.676 4.995 4.320 -0.000 0.000 0.305 293 A C -1.545 176.103 177.584 0.107 0.000 1.053 293 A CA -0.532 51.533 52.037 0.047 0.000 0.726 293 A CB 0.914 19.936 19.000 0.036 0.000 1.229 293 A HN 0.744 nan 8.150 nan 0.000 0.431 294 Y N 1.204 121.465 120.300 -0.064 0.000 2.462 294 Y HA 0.597 5.147 4.550 -0.001 0.000 0.346 294 Y C 0.466 176.335 175.900 -0.052 0.000 0.976 294 Y CA -0.761 57.309 58.100 -0.051 0.000 1.044 294 Y CB 1.961 40.359 38.460 -0.103 0.000 1.230 294 Y HN 0.790 nan 8.280 nan 0.000 0.455 295 G N 3.736 112.125 108.800 -0.685 0.000 2.770 295 G HA2 0.432 4.391 3.960 -0.000 0.000 0.307 295 G HA3 0.432 4.391 3.960 -0.000 0.000 0.307 295 G C 0.241 174.532 174.900 -1.016 0.000 0.863 295 G CA 0.063 44.758 45.100 -0.674 0.000 1.595 295 G HN 0.995 nan 8.290 nan 0.000 0.496 296 G N 1.361 109.768 108.800 -0.655 0.000 2.588 296 G HA2 0.553 4.513 3.960 -0.000 0.000 0.281 296 G HA3 0.553 4.513 3.960 -0.000 0.000 0.281 296 G C -0.405 174.400 174.900 -0.158 0.000 1.236 296 G CA -0.152 44.723 45.100 -0.376 0.000 0.969 296 G HN 0.674 nan 8.290 nan 0.000 0.504 297 D N -2.016 118.342 120.400 -0.069 0.000 2.692 297 D HA 0.389 5.028 4.640 -0.000 0.000 0.303 297 D C -0.205 176.015 176.300 -0.133 0.000 1.278 297 D CA -0.662 53.331 54.000 -0.012 0.000 0.852 297 D CB 0.705 41.596 40.800 0.150 0.000 1.375 297 D HN 0.199 nan 8.370 nan 0.000 0.453 298 M N -0.803 118.689 119.600 -0.180 0.000 2.734 298 M HA 0.413 4.892 4.480 -0.000 0.000 0.264 298 M C -0.011 176.018 176.300 -0.452 0.000 1.080 298 M CA -0.689 54.417 55.300 -0.323 0.000 0.981 298 M CB -0.205 32.269 32.600 -0.211 0.000 1.514 298 M HN 0.365 nan 8.290 nan 0.000 0.569 299 F N 1.408 121.232 119.950 -0.211 0.000 2.662 299 F HA 0.135 4.662 4.527 -0.000 0.000 0.343 299 F C 0.605 176.311 175.800 -0.157 0.000 1.302 299 F CA 0.103 57.978 58.000 -0.208 0.000 1.142 299 F CB -0.437 38.401 39.000 -0.269 0.000 1.524 299 F HN 0.338 nan 8.300 nan 0.000 0.668 300 E N 1.001 121.159 120.200 -0.069 0.000 2.235 300 E HA 0.753 5.103 4.350 -0.000 0.000 0.265 300 E C -0.357 176.001 176.600 -0.402 0.000 0.940 300 E CA -1.013 55.261 56.400 -0.209 0.000 0.819 300 E CB 1.828 31.382 29.700 -0.243 0.000 1.206 300 E HN 0.490 nan 8.360 nan 0.000 0.409 301 A N 0.442 122.981 122.820 -0.469 0.000 2.298 301 A HA 0.566 4.886 4.320 -0.000 0.000 0.302 301 A C 1.138 178.203 177.584 -0.864 0.000 1.177 301 A CA 0.086 51.796 52.037 -0.544 0.000 0.912 301 A CB 0.287 19.094 19.000 -0.322 0.000 1.331 301 A HN 0.733 nan 8.150 nan 0.000 0.504 302 G N -1.259 107.181 108.800 -0.600 0.000 2.534 302 G HA2 0.030 3.990 3.960 -0.000 0.000 0.217 302 G HA3 0.030 3.990 3.960 -0.000 0.000 0.217 302 G C 1.181 175.888 174.900 -0.320 0.000 1.128 302 G CA 1.157 45.936 45.100 -0.535 0.000 0.784 302 G HN 0.577 nan 8.290 nan 0.000 0.542 303 L N 1.390 122.452 121.223 -0.267 0.000 2.005 303 L HA 0.226 4.566 4.340 -0.000 0.000 0.207 303 L C 2.987 179.757 176.870 -0.168 0.000 1.072 303 L CA 2.182 56.925 54.840 -0.161 0.000 0.744 303 L CB -0.846 41.126 42.059 -0.144 0.000 0.895 303 L HN 0.183 nan 8.230 nan 0.000 0.433 304 A N -1.405 121.269 122.820 -0.242 0.000 1.902 304 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 304 A C 2.150 179.549 177.584 -0.308 0.000 1.181 304 A CA 1.672 53.577 52.037 -0.220 0.000 0.623 304 A CB -0.976 17.900 19.000 -0.206 0.000 0.818 304 A HN 0.663 nan 8.150 nan 0.000 0.443 305 H N 0.070 118.798 119.070 -0.570 0.000 2.319 305 H HA -0.116 4.440 4.556 -0.001 0.000 0.297 305 H C 2.023 176.938 175.328 -0.688 0.000 1.097 305 H CA 1.691 57.127 56.048 -1.021 0.000 1.285 305 H CB -0.742 28.174 29.762 -1.410 0.000 1.368 305 H HN 0.432 nan 8.280 nan 0.000 0.495 306 L N -0.175 121.016 121.223 -0.053 0.000 2.042 306 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 306 L C 2.770 179.728 176.870 0.146 0.000 1.076 306 L CA 1.042 56.001 54.840 0.198 0.000 0.749 306 L CB -0.541 41.669 42.059 0.252 0.000 0.893 306 L HN 0.267 nan 8.230 nan 0.000 0.432 307 A N 0.204 123.030 122.820 0.009 0.000 1.902 307 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 307 A C 2.403 179.993 177.584 0.010 0.000 1.181 307 A CA 1.787 53.842 52.037 0.029 0.000 0.623 307 A CB -1.266 17.730 19.000 -0.007 0.000 0.818 307 A HN 0.447 nan 8.150 nan 0.000 0.443 308 G N -0.672 108.028 108.800 -0.165 0.000 2.422 308 G HA2 0.031 3.991 3.960 -0.000 0.000 0.218 308 G HA3 0.031 3.991 3.960 -0.000 0.000 0.218 308 G C 1.717 176.678 174.900 0.102 0.000 1.146 308 G CA 1.403 46.450 45.100 -0.089 0.000 0.769 308 G HN 0.789 nan 8.290 nan 0.000 0.547 309 A N 0.111 122.916 122.820 -0.025 0.000 1.898 309 A HA -0.038 4.282 4.320 -0.000 0.000 0.216 309 A C 2.148 179.785 177.584 0.089 0.000 1.181 309 A CA 1.552 53.701 52.037 0.187 0.000 0.620 309 A CB -0.687 18.412 19.000 0.164 0.000 0.819 309 A HN 0.455 nan 8.150 nan 0.000 0.442 310 H N -1.431 117.719 119.070 0.134 0.000 2.353 310 H HA -0.114 4.441 4.556 -0.001 0.000 0.300 310 H C 2.198 177.598 175.328 0.119 0.000 1.090 310 H CA 1.740 57.894 56.048 0.177 0.000 1.327 310 H CB -0.289 29.557 29.762 0.139 0.000 1.383 310 H HN 0.432 nan 8.280 nan 0.000 0.508 311 M N 1.121 120.828 119.600 0.179 0.000 2.073 311 M HA -0.173 4.307 4.480 -0.000 0.000 0.258 311 M C 2.276 178.629 176.300 0.089 0.000 1.070 311 M CA 1.575 56.933 55.300 0.096 0.000 1.103 311 M CB -0.765 31.882 32.600 0.077 0.000 1.321 311 M HN 0.172 nan 8.290 nan 0.000 0.405 312 I N 0.583 121.220 120.570 0.111 0.000 2.286 312 I HA -0.254 3.916 4.170 -0.000 0.000 0.248 312 I C 2.583 178.713 176.117 0.023 0.000 1.115 312 I CA 1.127 62.471 61.300 0.073 0.000 1.392 312 I CB -0.725 37.334 38.000 0.098 0.000 1.065 312 I HN 0.365 nan 8.210 nan 0.000 0.418 313 A N 0.675 123.497 122.820 0.004 0.000 1.978 313 A HA -0.108 4.212 4.320 -0.000 0.000 0.220 313 A C 2.283 179.803 177.584 -0.106 0.000 1.170 313 A CA 1.861 53.834 52.037 -0.107 0.000 0.636 313 A CB -0.572 18.295 19.000 -0.222 0.000 0.810 313 A HN 0.447 nan 8.150 nan 0.000 0.448 314 A N -1.311 121.509 122.820 0.000 0.000 2.345 314 A HA 0.400 4.719 4.320 -0.000 0.000 0.225 314 A C 0.579 178.171 177.584 0.014 0.000 1.243 314 A CA 0.682 52.733 52.037 0.024 0.000 0.875 314 A CB -0.122 18.940 19.000 0.103 0.000 0.929 314 A HN 0.215 nan 8.150 nan 0.000 0.502 315 T N 1.035 115.592 114.554 0.006 0.000 3.068 315 T HA 0.333 4.683 4.350 -0.000 0.000 0.364 315 T C -2.380 172.322 174.700 0.003 0.000 1.161 315 T CA -0.915 61.192 62.100 0.012 0.000 1.155 315 T CB 1.580 70.463 68.868 0.024 0.000 1.060 315 T HN -0.021 nan 8.240 nan 0.000 0.513 316 P HA -0.087 nan 4.420 nan 0.000 0.218 316 P C 1.184 178.488 177.300 0.007 0.000 1.146 316 P CA 0.995 64.093 63.100 -0.003 0.000 0.813 316 P CB 0.313 32.011 31.700 -0.004 0.000 0.778 317 E N -0.724 119.484 120.200 0.013 0.000 2.204 317 E HA -0.030 4.320 4.350 -0.000 0.000 0.194 317 E C 0.691 177.305 176.600 0.024 0.000 0.989 317 E CA 0.420 56.832 56.400 0.019 0.000 0.824 317 E CB -0.541 29.172 29.700 0.022 0.000 0.756 317 E HN 0.304 nan 8.360 nan 0.000 0.477 318 I N 1.940 122.523 120.570 0.021 0.000 2.311 318 I HA -0.000 4.170 4.170 -0.000 0.000 0.297 318 I C 0.796 176.930 176.117 0.029 0.000 1.131 318 I CA 0.144 61.459 61.300 0.025 0.000 1.289 318 I CB 0.493 38.498 38.000 0.008 0.000 1.446 318 I HN 0.085 nan 8.210 nan 0.000 0.524 319 T N 2.327 116.911 114.554 0.050 0.000 2.985 319 T HA 0.243 4.593 4.350 -0.000 0.000 0.254 319 T C 1.094 175.844 174.700 0.083 0.000 1.021 319 T CA -0.050 62.082 62.100 0.052 0.000 0.957 319 T CB 0.115 69.010 68.868 0.045 0.000 1.047 319 T HN 0.432 nan 8.240 nan 0.000 0.511 320 L N 1.623 122.934 121.223 0.147 0.000 2.629 320 L HA 0.463 4.802 4.340 -0.000 0.000 0.230 320 L C 1.470 178.515 176.870 0.290 0.000 1.151 320 L CA 0.128 55.110 54.840 0.236 0.000 0.924 320 L CB -0.823 41.442 42.059 0.344 0.000 1.137 320 L HN 0.675 nan 8.230 nan 0.000 0.457 321 G N -0.005 108.878 108.800 0.140 0.000 2.698 321 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.225 321 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.225 321 G C -0.537 174.290 174.900 -0.121 0.000 1.345 321 G CA -0.581 44.543 45.100 0.039 0.000 0.871 321 G HN 0.364 nan 8.290 nan 0.000 0.540 322 C N -1.894 117.244 119.300 -0.270 0.000 3.154 322 C HA 0.943 5.403 4.460 -0.000 0.000 0.312 322 C C 0.360 175.056 174.990 -0.489 0.000 1.349 322 C CA 0.142 58.757 59.018 -0.671 0.000 1.518 322 C CB 1.597 28.700 27.740 -1.062 0.000 1.934 322 C HN 1.362 nan 8.230 nan 0.000 0.462 323 E N -0.057 119.766 120.200 -0.629 0.000 3.167 323 E HA 0.259 4.609 4.350 -0.000 0.000 0.210 323 E C -1.003 175.496 176.600 -0.168 0.000 1.004 323 E CA -0.333 55.976 56.400 -0.153 0.000 1.256 323 E CB -0.224 29.542 29.700 0.109 0.000 1.193 323 E HN 0.708 nan 8.360 nan 0.000 0.448 324 F N 2.036 121.858 119.950 -0.213 0.000 2.666 324 F HA 0.139 4.665 4.527 -0.001 0.000 0.362 324 F C 0.647 176.135 175.800 -0.521 0.000 1.190 324 F CA -0.902 56.650 58.000 -0.747 0.000 1.328 324 F CB -0.160 38.404 39.000 -0.727 0.000 1.682 324 F HN 0.339 nan 8.300 nan 0.000 0.623 325 Y N -1.657 118.603 120.300 -0.066 0.000 2.481 325 Y HA 0.157 4.706 4.550 -0.001 0.000 0.258 325 Y C 1.692 177.761 175.900 0.282 0.000 1.103 325 Y CA -0.126 58.086 58.100 0.186 0.000 1.287 325 Y CB -0.412 38.162 38.460 0.189 0.000 1.108 325 Y HN 0.089 nan 8.280 nan 0.000 0.529 326 Q N 1.817 121.445 119.800 -0.286 0.000 2.084 326 Q HA -0.047 4.293 4.340 -0.000 0.000 0.202 326 Q C 2.544 178.672 176.000 0.212 0.000 0.978 326 Q CA 2.166 57.960 55.803 -0.014 0.000 0.844 326 Q CB -0.436 28.263 28.738 -0.065 0.000 0.898 326 Q HN 0.646 nan 8.270 nan 0.000 0.426 327 A N -0.260 122.690 122.820 0.217 0.000 1.930 327 A HA -0.161 4.158 4.320 -0.000 0.000 0.217 327 A C 2.132 179.770 177.584 0.089 0.000 1.175 327 A CA 1.850 53.925 52.037 0.064 0.000 0.627 327 A CB -0.676 18.317 19.000 -0.011 0.000 0.815 327 A HN 0.375 nan 8.150 nan 0.000 0.443 328 T N -2.092 112.528 114.554 0.109 0.000 2.894 328 T HA 0.003 4.353 4.350 -0.000 0.000 0.258 328 T C 1.106 175.681 174.700 -0.208 0.000 1.043 328 T CA 1.439 63.466 62.100 -0.121 0.000 1.141 328 T CB -0.266 68.423 68.868 -0.300 0.000 0.873 328 T HN 0.613 nan 8.240 nan 0.000 0.449 329 Y N -1.452 119.005 120.300 0.261 0.000 2.527 329 Y HA 0.448 4.998 4.550 -0.001 0.000 0.247 329 Y C 1.117 177.228 175.900 0.352 0.000 1.138 329 Y CA -0.740 57.523 58.100 0.272 0.000 1.228 329 Y CB 0.656 39.288 38.460 0.286 0.000 1.252 329 Y HN 0.144 nan 8.280 nan 0.000 0.531 330 F N -0.632 119.468 119.950 0.249 0.000 2.455 330 F HA 0.385 4.912 4.527 -0.000 0.000 0.278 330 F C 0.090 175.927 175.800 0.061 0.000 0.887 330 F CA -0.298 57.810 58.000 0.181 0.000 1.104 330 F CB 0.118 39.257 39.000 0.231 0.000 0.949 330 F HN -0.343 nan 8.300 nan 0.000 0.750 331 L N 1.235 122.471 121.223 0.021 0.000 2.455 331 L HA 0.019 4.358 4.340 -0.000 0.000 0.272 331 L C 1.253 178.043 176.870 -0.132 0.000 1.174 331 L CA -0.557 54.189 54.840 -0.157 0.000 0.869 331 L CB 0.794 42.776 42.059 -0.129 0.000 1.130 331 L HN 0.330 nan 8.230 nan 0.000 0.474 332 C N 0.865 120.057 119.300 -0.180 0.000 2.436 332 C HA -0.095 4.365 4.460 -0.000 0.000 0.277 332 C C 0.888 175.836 174.990 -0.071 0.000 1.241 332 C CA 0.439 59.394 59.018 -0.105 0.000 1.721 332 C CB -0.704 26.979 27.740 -0.096 0.000 2.043 332 C HN 0.763 nan 8.230 nan 0.000 0.472 333 D N -0.624 119.702 120.400 -0.123 0.000 2.601 333 D HA 0.340 4.980 4.640 -0.000 0.000 0.230 333 D C -1.315 174.872 176.300 -0.189 0.000 1.106 333 D CA -0.228 53.727 54.000 -0.075 0.000 0.873 333 D CB 1.941 42.803 40.800 0.104 0.000 1.515 333 D HN 0.128 nan 8.370 nan 0.000 0.468 334 D N 0.074 120.414 120.400 -0.101 0.000 2.494 334 D HA 0.342 4.982 4.640 -0.000 0.000 0.259 334 D C 0.860 177.110 176.300 -0.084 0.000 1.109 334 D CA -0.624 53.298 54.000 -0.130 0.000 1.040 334 D CB 1.389 42.142 40.800 -0.078 0.000 1.175 334 D HN 0.415 nan 8.370 nan 0.000 0.584 335 I N -1.137 119.364 120.570 -0.116 0.000 3.956 335 I HA 0.303 4.473 4.170 -0.000 0.000 0.333 335 I C -0.049 175.989 176.117 -0.132 0.000 1.302 335 I CA -0.286 60.952 61.300 -0.104 0.000 1.122 335 I CB -0.033 37.876 38.000 -0.152 0.000 1.013 335 I HN -0.044 nan 8.210 nan 0.000 0.405 336 L N 1.405 122.569 121.223 -0.098 0.000 2.399 336 L HA 0.468 4.808 4.340 -0.000 0.000 0.266 336 L C 1.626 178.460 176.870 -0.060 0.000 1.114 336 L CA -0.289 54.501 54.840 -0.085 0.000 0.804 336 L CB 1.579 43.625 42.059 -0.021 0.000 1.146 336 L HN 0.147 nan 8.230 nan 0.000 0.451 337 A N 1.932 124.712 122.820 -0.068 0.000 2.119 337 A HA 0.380 4.700 4.320 -0.000 0.000 0.217 337 A C 0.827 178.396 177.584 -0.025 0.000 1.153 337 A CA 1.195 53.202 52.037 -0.051 0.000 0.692 337 A CB -0.151 18.814 19.000 -0.059 0.000 0.799 337 A HN 0.755 nan 8.150 nan 0.000 0.458 338 A N -1.032 121.780 122.820 -0.013 0.000 2.569 338 A HA 0.694 5.014 4.320 -0.000 0.000 0.290 338 A C -3.113 174.481 177.584 0.016 0.000 1.136 338 A CA -1.685 50.351 52.037 -0.002 0.000 0.710 338 A CB 0.377 19.374 19.000 -0.005 0.000 1.303 338 A HN 0.017 nan 8.150 nan 0.000 0.413 339 P HA 0.255 nan 4.420 nan 0.000 0.271 339 P C -0.534 176.811 177.300 0.074 0.000 1.216 339 P CA 0.067 63.193 63.100 0.044 0.000 0.776 339 P CB 0.108 31.817 31.700 0.016 0.000 0.881 340 F N 6.063 126.011 119.950 -0.003 0.000 2.569 340 F HA 0.086 4.613 4.527 -0.000 0.000 0.395 340 F C -1.738 174.077 175.800 0.025 0.000 1.028 340 F CA -2.075 55.938 58.000 0.023 0.000 1.158 340 F CB -0.215 38.825 39.000 0.067 0.000 1.023 340 F HN 0.225 nan 8.300 nan 0.000 0.547 341 P HA 0.124 nan 4.420 nan 0.000 0.274 341 P C -1.180 175.860 177.300 -0.433 0.000 1.291 341 P CA 0.174 63.023 63.100 -0.417 0.000 0.815 341 P CB 0.848 32.362 31.700 -0.310 0.000 0.897 342 V N 3.336 123.129 119.914 -0.202 0.000 2.638 342 V HA 0.804 4.923 4.120 -0.000 0.000 0.306 342 V C -0.120 175.964 176.094 -0.015 0.000 1.052 342 V CA -0.744 61.512 62.300 -0.072 0.000 0.885 342 V CB 2.006 33.847 31.823 0.029 0.000 0.999 342 V HN 0.689 nan 8.190 nan 0.000 0.424 343 A N 2.549 125.382 122.820 0.022 0.000 2.517 343 A HA 0.728 5.047 4.320 -0.000 0.000 0.297 343 A C -0.422 177.205 177.584 0.072 0.000 1.050 343 A CA -0.450 51.605 52.037 0.030 0.000 0.694 343 A CB 1.205 20.202 19.000 -0.005 0.000 1.277 343 A HN 0.873 nan 8.150 nan 0.000 0.400 344 D N 1.136 121.579 120.400 0.073 0.000 2.772 344 D HA -0.187 4.452 4.640 -0.000 0.000 0.233 344 D C 1.079 177.505 176.300 0.210 0.000 1.143 344 D CA 2.848 56.904 54.000 0.095 0.000 0.700 344 D CB -1.393 39.426 40.800 0.031 0.000 1.076 344 D HN 2.251 nan 8.370 nan 0.000 0.430 345 G N -0.606 108.291 108.800 0.161 0.000 2.143 345 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.248 345 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.248 345 G C -0.028 174.862 174.900 -0.016 0.000 0.991 345 G CA 0.714 45.868 45.100 0.090 0.000 0.689 345 G HN 0.698 nan 8.290 nan 0.000 0.522 346 H N -1.797 117.282 119.070 0.015 0.000 2.768 346 H HA 0.601 5.157 4.556 -0.000 0.000 0.371 346 H C -0.022 175.308 175.328 0.004 0.000 1.151 346 H CA -0.618 55.433 56.048 0.004 0.000 1.165 346 H CB 2.005 31.755 29.762 -0.020 0.000 1.722 346 H HN 0.178 nan 8.280 nan 0.000 0.543 347 V N 3.752 123.733 119.914 0.111 0.000 2.583 347 V HA 0.125 4.245 4.120 -0.000 0.000 0.287 347 V C 0.002 176.093 176.094 -0.006 0.000 1.051 347 V CA -0.407 61.915 62.300 0.037 0.000 1.010 347 V CB 0.469 32.388 31.823 0.160 0.000 0.988 347 V HN 0.463 nan 8.190 nan 0.000 0.478 348 L N 5.560 126.717 121.223 -0.109 0.000 2.262 348 L HA 0.439 4.779 4.340 -0.000 0.000 0.288 348 L C -0.273 176.527 176.870 -0.118 0.000 1.035 348 L CA -0.674 54.111 54.840 -0.093 0.000 0.820 348 L CB 1.272 43.275 42.059 -0.093 0.000 1.204 348 L HN 0.331 nan 8.230 nan 0.000 0.424 349 V N 4.817 124.676 119.914 -0.092 0.000 2.479 349 V HA 0.118 4.238 4.120 -0.000 0.000 0.281 349 V C -1.709 174.375 176.094 -0.017 0.000 1.031 349 V CA -1.069 61.165 62.300 -0.110 0.000 1.038 349 V CB 0.293 32.019 31.823 -0.162 0.000 0.981 349 V HN 0.601 nan 8.190 nan 0.000 0.478 350 P HA 0.187 nan 4.420 nan 0.000 0.272 350 P C -0.152 177.337 177.300 0.314 0.000 1.230 350 P CA -0.174 63.005 63.100 0.131 0.000 0.788 350 P CB 0.485 32.273 31.700 0.147 0.000 0.949 351 D N -1.950 118.602 120.400 0.253 0.000 2.535 351 D HA 0.026 4.666 4.640 -0.000 0.000 0.229 351 D C 0.070 176.438 176.300 0.113 0.000 1.238 351 D CA -0.157 54.026 54.000 0.305 0.000 0.824 351 D CB -0.707 40.298 40.800 0.342 0.000 1.045 351 D HN 0.301 nan 8.370 nan 0.000 0.500 352 T N -3.106 111.495 114.554 0.077 0.000 2.849 352 T HA 0.573 4.923 4.350 -0.000 0.000 0.276 352 T C -2.549 172.135 174.700 -0.028 0.000 0.971 352 T CA -1.771 60.341 62.100 0.020 0.000 0.949 352 T CB 1.060 69.945 68.868 0.029 0.000 1.093 352 T HN -0.249 nan 8.240 nan 0.000 0.545 353 P HA 0.408 nan 4.420 nan 0.000 0.272 353 P C 1.022 178.276 177.300 -0.077 0.000 1.230 353 P CA 1.038 64.091 63.100 -0.077 0.000 0.788 353 P CB -0.086 31.584 31.700 -0.050 0.000 0.949 354 G N 0.783 109.510 108.800 -0.122 0.000 2.564 354 G HA2 -0.311 3.648 3.960 -0.000 0.000 0.273 354 G HA3 -0.311 3.648 3.960 -0.000 0.000 0.273 354 G C 0.801 175.566 174.900 -0.225 0.000 1.242 354 G CA 0.164 45.187 45.100 -0.130 0.000 0.951 354 G HN 0.478 nan 8.290 nan 0.000 0.564 355 L N 1.430 122.557 121.223 -0.160 0.000 2.291 355 L HA 0.278 4.618 4.340 -0.000 0.000 0.214 355 L C 2.659 179.616 176.870 0.145 0.000 1.120 355 L CA 1.685 56.440 54.840 -0.141 0.000 0.799 355 L CB -0.513 41.536 42.059 -0.017 0.000 0.925 355 L HN 1.992 nan 8.230 nan 0.000 0.446 356 G N -0.850 107.999 108.800 0.081 0.000 2.278 356 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.210 356 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.210 356 G C 0.106 175.047 174.900 0.069 0.000 1.000 356 G CA -0.095 45.072 45.100 0.111 0.000 0.635 356 G HN 0.066 nan 8.290 nan 0.000 0.495 357 V N 1.737 121.686 119.914 0.058 0.000 2.656 357 V HA 0.566 4.686 4.120 -0.000 0.000 0.307 357 V C -0.625 175.459 176.094 -0.016 0.000 1.051 357 V CA -1.235 61.078 62.300 0.023 0.000 0.893 357 V CB 1.916 33.762 31.823 0.038 0.000 0.999 357 V HN 0.205 nan 8.190 nan 0.000 0.426 358 D N 2.038 122.415 120.400 -0.039 0.000 2.414 358 D HA 0.244 4.883 4.640 -0.000 0.000 0.242 358 D C -0.018 176.175 176.300 -0.179 0.000 1.129 358 D CA 0.058 54.005 54.000 -0.089 0.000 0.885 358 D CB 1.631 42.392 40.800 -0.066 0.000 1.198 358 D HN 0.238 nan 8.370 nan 0.000 0.437 359 V N 2.321 122.018 119.914 -0.360 0.000 2.555 359 V HA -0.012 4.108 4.120 -0.000 0.000 0.286 359 V C 0.481 176.338 176.094 -0.394 0.000 1.044 359 V CA -0.292 61.696 62.300 -0.519 0.000 1.026 359 V CB 1.323 32.466 31.823 -1.133 0.000 0.981 359 V HN 0.436 nan 8.190 nan 0.000 0.480 360 D N 3.873 124.103 120.400 -0.284 0.000 2.393 360 D HA 0.127 4.767 4.640 -0.000 0.000 0.232 360 D C 1.103 177.265 176.300 -0.230 0.000 1.192 360 D CA -0.076 53.807 54.000 -0.195 0.000 0.882 360 D CB 0.961 41.689 40.800 -0.120 0.000 1.038 360 D HN 0.629 nan 8.370 nan 0.000 0.499 361 E N 2.011 122.088 120.200 -0.205 0.000 2.338 361 E HA -0.128 4.222 4.350 -0.000 0.000 0.197 361 E C 0.568 177.087 176.600 -0.135 0.000 1.007 361 E CA 0.615 56.890 56.400 -0.209 0.000 0.849 361 E CB 0.436 30.098 29.700 -0.063 0.000 0.774 361 E HN 0.537 nan 8.360 nan 0.000 0.506 362 D N 0.573 120.916 120.400 -0.095 0.000 2.194 362 D HA -0.052 4.588 4.640 -0.000 0.000 0.204 362 D C 1.884 178.117 176.300 -0.112 0.000 0.964 362 D CA 0.795 54.750 54.000 -0.075 0.000 0.846 362 D CB -0.016 40.747 40.800 -0.061 0.000 0.962 362 D HN 0.120 nan 8.370 nan 0.000 0.490 363 A N 1.134 123.890 122.820 -0.106 0.000 1.930 363 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 363 A C 2.373 179.937 177.584 -0.035 0.000 1.175 363 A CA 0.707 52.712 52.037 -0.054 0.000 0.627 363 A CB -0.706 18.325 19.000 0.052 0.000 0.815 363 A HN 0.158 nan 8.150 nan 0.000 0.443 364 L N -0.743 120.370 121.223 -0.184 0.000 2.012 364 L HA -0.259 4.081 4.340 -0.000 0.000 0.210 364 L C 3.138 179.961 176.870 -0.078 0.000 1.073 364 L CA 1.369 56.012 54.840 -0.328 0.000 0.748 364 L CB -0.723 40.724 42.059 -1.019 0.000 0.891 364 L HN 0.455 nan 8.230 nan 0.000 0.431 365 A N -0.031 122.776 122.820 -0.022 0.000 1.877 365 A HA -0.250 4.070 4.320 -0.000 0.000 0.216 365 A C 2.436 180.004 177.584 -0.026 0.000 1.186 365 A CA 1.807 53.893 52.037 0.081 0.000 0.620 365 A CB -0.628 18.412 19.000 0.068 0.000 0.822 365 A HN 0.352 nan 8.150 nan 0.000 0.443 366 R N -1.535 118.862 120.500 -0.172 0.000 2.096 366 R HA -0.164 4.176 4.340 -0.000 0.000 0.240 366 R C 1.137 177.187 176.300 -0.418 0.000 1.139 366 R CA 2.118 57.983 56.100 -0.393 0.000 0.952 366 R CB -0.334 29.542 30.300 -0.707 0.000 0.854 366 R HN 0.474 nan 8.270 nan 0.000 0.436 367 F N 0.475 120.417 119.950 -0.014 0.000 2.727 367 F HA 0.368 4.895 4.527 -0.000 0.000 0.302 367 F C 0.787 176.596 175.800 0.014 0.000 1.097 367 F CA -0.182 57.810 58.000 -0.014 0.000 1.330 367 F CB -0.016 38.964 39.000 -0.034 0.000 1.084 367 F HN 0.029 nan 8.300 nan 0.000 0.578 368 A N 1.142 124.067 122.820 0.174 0.000 2.511 368 A HA 0.412 4.731 4.320 -0.000 0.000 0.242 368 A C 0.647 178.263 177.584 0.053 0.000 1.069 368 A CA -0.225 51.913 52.037 0.169 0.000 0.763 368 A CB -0.064 19.077 19.000 0.234 0.000 1.001 368 A HN 0.182 nan 8.150 nan 0.000 0.498 369 V N 0.000 119.887 119.914 -0.044 0.000 2.409 369 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 369 V CA 0.000 62.218 62.300 -0.136 0.000 1.235 369 V CB 0.000 31.593 31.823 -0.382 0.000 1.184 369 V HN 0.000 nan 8.190 nan 0.000 0.556