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_C DATA FIRST_RESID 6 DATA SEQUENCE QIIAGFTLWH LSLPVTXXXX XXXXXXXXAV 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 0.000 175.992 176.000 -0.014 0.000 1.003 6 Q CA 0.000 55.797 55.803 -0.010 0.000 1.022 6 Q CB 0.000 28.731 28.738 -0.011 0.000 1.108 7 I N -1.319 119.243 120.570 -0.014 0.000 2.676 7 I HA 0.608 4.778 4.170 0.001 0.000 0.309 7 I C -0.689 175.419 176.117 -0.016 0.000 0.990 7 I CA -1.104 60.187 61.300 -0.015 0.000 1.168 7 I CB 1.125 39.117 38.000 -0.013 0.000 1.343 7 I HN 0.673 nan 8.210 nan 0.000 0.482 8 I N 4.588 125.150 120.570 -0.014 0.000 2.363 8 I HA 0.279 4.449 4.170 0.001 0.000 0.292 8 I C 1.026 177.143 176.117 0.001 0.000 1.075 8 I CA 0.061 61.356 61.300 -0.008 0.000 1.333 8 I CB 1.389 39.392 38.000 0.005 0.000 1.415 8 I HN 0.908 nan 8.210 nan 0.000 0.502 9 A N 5.129 127.947 122.820 -0.003 0.000 2.197 9 A HA 0.501 4.822 4.320 0.001 0.000 0.210 9 A C 0.969 178.558 177.584 0.009 0.000 1.180 9 A CA 0.435 52.471 52.037 -0.002 0.000 0.846 9 A CB 0.218 19.214 19.000 -0.008 0.000 0.884 9 A HN 0.719 nan 8.150 nan 0.000 0.487 10 G N -1.677 107.135 108.800 0.020 0.000 2.659 10 G HA2 0.525 4.485 3.960 0.001 0.000 0.296 10 G HA3 0.525 4.485 3.960 0.001 0.000 0.296 10 G C -1.619 173.336 174.900 0.092 0.000 1.369 10 G CA -0.522 44.602 45.100 0.039 0.000 0.937 10 G HN 0.302 nan 8.290 nan 0.000 0.485 11 F N 1.507 121.403 119.950 -0.090 0.000 2.831 11 F HA 0.578 5.105 4.527 0.001 0.000 0.346 11 F C -0.616 175.103 175.800 -0.134 0.000 1.224 11 F CA -0.324 57.615 58.000 -0.101 0.000 1.048 11 F CB 1.953 40.895 39.000 -0.097 0.000 1.339 11 F HN 0.481 nan 8.300 nan 0.000 0.514 12 T N 6.615 121.026 114.554 -0.238 0.000 2.861 12 T HA 0.658 5.008 4.350 0.001 0.000 0.287 12 T C -0.906 173.550 174.700 -0.406 0.000 1.003 12 T CA -0.610 61.301 62.100 -0.316 0.000 0.977 12 T CB 1.944 70.564 68.868 -0.414 0.000 0.996 12 T HN 0.414 nan 8.240 nan 0.000 0.448 13 L N 2.093 123.054 121.223 -0.437 0.000 2.362 13 L HA 0.637 4.977 4.340 0.001 0.000 0.271 13 L C -0.890 175.853 176.870 -0.211 0.000 1.002 13 L CA -0.892 53.821 54.840 -0.210 0.000 0.818 13 L CB 1.964 43.879 42.059 -0.240 0.000 1.298 13 L HN 0.465 nan 8.230 nan 0.000 0.420 14 W N 1.705 123.108 121.300 0.173 0.000 2.656 14 W HA 0.322 4.982 4.660 0.001 0.000 0.327 14 W C -0.455 176.261 176.519 0.329 0.000 1.041 14 W CA -0.669 56.814 57.345 0.231 0.000 1.229 14 W CB 1.739 31.291 29.460 0.153 0.000 1.397 14 W HN 0.568 nan 8.180 nan 0.000 0.479 15 H N 4.018 123.331 119.070 0.406 0.000 2.640 15 H HA 0.448 5.004 4.556 0.001 0.000 0.297 15 H C -0.773 174.679 175.328 0.207 0.000 1.073 15 H CA -0.238 55.972 56.048 0.270 0.000 1.305 15 H CB 0.601 30.415 29.762 0.086 0.000 1.404 15 H HN 0.272 nan 8.280 nan 0.000 0.459 16 L N 3.562 125.028 121.223 0.406 0.000 2.334 16 L HA 0.322 4.662 4.340 0.001 0.000 0.272 16 L C 0.118 177.075 176.870 0.145 0.000 1.020 16 L CA -0.811 54.160 54.840 0.218 0.000 0.812 16 L CB 1.911 44.074 42.059 0.173 0.000 1.264 16 L HN 0.468 nan 8.230 nan 0.000 0.439 17 S N 2.586 118.323 115.700 0.062 0.000 2.596 17 S HA 0.658 5.129 4.470 0.001 0.000 0.318 17 S C -0.899 173.649 174.600 -0.085 0.000 1.097 17 S CA -0.560 57.643 58.200 0.004 0.000 1.080 17 S CB 0.492 63.688 63.200 -0.006 0.000 0.991 17 S HN 0.455 nan 8.310 nan 0.000 0.471 18 L N 6.309 127.411 121.223 -0.201 0.000 2.316 18 L HA 0.473 4.814 4.340 0.001 0.000 0.280 18 L C -2.352 174.308 176.870 -0.349 0.000 1.006 18 L CA -2.230 52.343 54.840 -0.445 0.000 0.836 18 L CB 1.679 43.470 42.059 -0.447 0.000 1.221 18 L HN 0.426 nan 8.230 nan 0.000 0.418 19 P HA 0.030 nan 4.420 nan 0.000 0.267 19 P C -0.660 176.447 177.300 -0.321 0.000 1.200 19 P CA -0.054 62.904 63.100 -0.235 0.000 0.772 19 P CB 0.863 32.484 31.700 -0.132 0.000 0.855 20 V N -0.759 118.940 119.914 -0.358 0.000 3.074 20 V HA 0.775 4.895 4.120 0.001 0.000 0.314 20 V C 0.162 176.016 176.094 -0.399 0.000 1.117 20 V CA -0.772 61.180 62.300 -0.579 0.000 1.014 20 V CB 1.431 32.602 31.823 -1.086 0.000 1.057 20 V HN 0.625 nan 8.190 nan 0.000 0.438 35 V N -0.866 118.973 119.914 -0.125 0.000 2.581 35 V HA 0.862 4.983 4.120 0.001 0.000 0.303 35 V C -0.333 175.750 176.094 -0.018 0.000 1.041 35 V CA -0.606 61.652 62.300 -0.069 0.000 0.907 35 V CB 1.554 33.351 31.823 -0.043 0.000 0.994 35 V HN 0.850 nan 8.190 nan 0.000 0.442 36 E N 2.727 122.958 120.200 0.051 0.000 2.166 36 E HA 0.691 5.042 4.350 0.001 0.000 0.275 36 E C -0.657 176.013 176.600 0.117 0.000 0.941 36 E CA -0.698 55.782 56.400 0.132 0.000 0.784 36 E CB 2.286 32.130 29.700 0.240 0.000 1.115 36 E HN 0.934 nan 8.360 nan 0.000 0.399 37 V N -0.589 119.406 119.914 0.135 0.000 3.160 37 V HA 0.684 4.805 4.120 0.001 0.000 0.310 37 V C -0.766 175.426 176.094 0.164 0.000 1.181 37 V CA -0.875 61.486 62.300 0.101 0.000 1.047 37 V CB 1.996 33.841 31.823 0.037 0.000 1.068 37 V HN 0.364 nan 8.190 nan 0.000 0.441 38 V N 1.693 121.689 119.914 0.138 0.000 2.540 38 V HA 0.626 4.747 4.120 0.001 0.000 0.302 38 V C -0.321 175.872 176.094 0.165 0.000 1.035 38 V CA -0.462 61.956 62.300 0.197 0.000 0.873 38 V CB 1.765 33.687 31.823 0.164 0.000 0.992 38 V HN 0.814 nan 8.190 nan 0.000 0.428 39 V N 5.734 125.797 119.914 0.248 0.000 2.483 39 V HA 0.535 4.655 4.120 0.001 0.000 0.295 39 V C -0.426 175.852 176.094 0.306 0.000 1.035 39 V CA -0.651 61.788 62.300 0.231 0.000 0.896 39 V CB 1.756 33.676 31.823 0.161 0.000 0.986 39 V HN 0.676 nan 8.190 nan 0.000 0.447 40 L N 5.276 126.595 121.223 0.160 0.000 2.322 40 L HA 0.669 5.009 4.340 0.001 0.000 0.281 40 L C -0.288 176.611 176.870 0.049 0.000 1.014 40 L CA -0.208 54.632 54.840 -0.001 0.000 0.815 40 L CB 1.398 43.324 42.059 -0.221 0.000 1.247 40 L HN 0.713 nan 8.230 nan 0.000 0.421 41 R N 5.334 125.850 120.500 0.026 0.000 2.387 41 R HA 0.650 4.991 4.340 0.001 0.000 0.314 41 R C -1.704 174.408 176.300 -0.313 0.000 0.958 41 R CA -0.648 55.327 56.100 -0.208 0.000 0.846 41 R CB 0.992 31.264 30.300 -0.047 0.000 1.147 41 R HN 0.800 nan 8.270 nan 0.000 0.447 42 L N 3.566 124.584 121.223 -0.342 0.000 2.325 42 L HA 0.444 4.785 4.340 0.001 0.000 0.278 42 L C -0.366 176.387 176.870 -0.194 0.000 1.023 42 L CA -0.665 54.032 54.840 -0.239 0.000 0.811 42 L CB 1.965 43.907 42.059 -0.196 0.000 1.249 42 L HN 0.608 nan 8.230 nan 0.000 0.431 43 Q N 2.149 121.883 119.800 -0.110 0.000 2.310 43 Q HA 0.643 4.983 4.340 0.001 0.000 0.270 43 Q C -1.084 174.886 176.000 -0.050 0.000 1.025 43 Q CA -0.593 55.161 55.803 -0.082 0.000 0.772 43 Q CB 2.288 30.992 28.738 -0.056 0.000 1.253 43 Q HN 0.775 nan 8.270 nan 0.000 0.450 44 A N 3.057 125.848 122.820 -0.048 0.000 2.287 44 A HA 0.155 4.476 4.320 0.001 0.000 0.273 44 A C 0.582 178.153 177.584 -0.022 0.000 1.091 44 A CA -0.210 51.807 52.037 -0.033 0.000 0.817 44 A CB 0.370 19.350 19.000 -0.034 0.000 1.069 44 A HN 1.010 nan 8.150 nan 0.000 0.492 45 D N 0.679 121.069 120.400 -0.017 0.000 2.242 45 D HA -0.215 4.425 4.640 0.001 0.000 0.190 45 D C 2.186 178.479 176.300 -0.011 0.000 1.012 45 D CA 2.477 56.469 54.000 -0.012 0.000 0.875 45 D CB -0.154 40.639 40.800 -0.011 0.000 0.922 45 D HN 0.659 nan 8.370 nan 0.000 0.448 46 S N -1.550 114.143 115.700 -0.012 0.000 2.607 46 S HA 0.184 4.655 4.470 0.001 0.000 0.224 46 S C 1.724 176.319 174.600 -0.008 0.000 0.969 46 S CA 1.137 59.331 58.200 -0.009 0.000 0.927 46 S CB 0.481 63.675 63.200 -0.010 0.000 0.772 46 S HN 0.431 nan 8.310 nan 0.000 0.533 47 G N 0.763 109.557 108.800 -0.011 0.000 2.217 47 G HA2 -0.158 3.803 3.960 0.001 0.000 0.246 47 G HA3 -0.158 3.803 3.960 0.001 0.000 0.246 47 G C 0.367 175.259 174.900 -0.014 0.000 0.990 47 G CA -0.045 45.050 45.100 -0.009 0.000 0.627 47 G HN 1.394 nan 8.290 nan 0.000 0.522 48 A N -0.065 122.744 122.820 -0.018 0.000 2.520 48 A HA 0.599 4.919 4.320 0.001 0.000 0.235 48 A C 0.825 178.380 177.584 -0.050 0.000 1.065 48 A CA 0.950 52.972 52.037 -0.024 0.000 0.764 48 A CB 0.380 19.366 19.000 -0.024 0.000 1.002 48 A HN 2.003 nan 8.150 nan 0.000 0.502 49 V N -0.294 119.584 119.914 -0.060 0.000 3.001 49 V HA 0.994 5.114 4.120 0.001 0.000 0.314 49 V C 0.154 176.149 176.094 -0.165 0.000 1.099 49 V CA -0.059 62.150 62.300 -0.152 0.000 0.989 49 V CB 1.656 33.359 31.823 -0.200 0.000 1.040 49 V HN 1.598 nan 8.190 nan 0.000 0.434 50 G N 1.002 109.630 108.800 -0.288 0.000 2.620 50 G HA2 0.722 4.683 3.960 0.001 0.000 0.301 50 G HA3 0.722 4.683 3.960 0.001 0.000 0.301 50 G C -2.158 172.529 174.900 -0.355 0.000 1.347 50 G CA -0.691 44.293 45.100 -0.195 0.000 0.971 50 G HN 0.707 nan 8.290 nan 0.000 0.488 51 Y N -0.463 119.809 120.300 -0.047 0.000 2.524 51 Y HA 0.770 5.320 4.550 0.001 0.000 0.344 51 Y C 0.712 176.583 175.900 -0.049 0.000 1.012 51 Y CA -0.401 57.669 58.100 -0.049 0.000 1.068 51 Y CB 2.974 41.396 38.460 -0.063 0.000 1.249 51 Y HN 0.842 nan 8.280 nan 0.000 0.468 52 G N 0.647 109.517 108.800 0.118 0.000 2.690 52 G HA2 0.532 4.493 3.960 0.001 0.000 0.293 52 G HA3 0.532 4.493 3.960 0.001 0.000 0.293 52 G C -2.116 172.813 174.900 0.048 0.000 1.399 52 G CA -0.812 44.322 45.100 0.057 0.000 0.890 52 G HN 0.508 nan 8.290 nan 0.000 0.485 53 E N -0.045 120.166 120.200 0.019 0.000 2.222 53 E HA 0.654 5.005 4.350 0.001 0.000 0.267 53 E C -0.576 176.031 176.600 0.012 0.000 0.884 53 E CA -0.943 55.460 56.400 0.006 0.000 0.764 53 E CB 1.921 31.592 29.700 -0.049 0.000 1.169 53 E HN 0.704 nan 8.360 nan 0.000 0.413 54 A N 2.735 125.574 122.820 0.032 0.000 2.318 54 A HA 0.535 4.855 4.320 0.001 0.000 0.324 54 A C -0.821 176.785 177.584 0.038 0.000 1.170 54 A CA -0.669 51.392 52.037 0.040 0.000 0.810 54 A CB 1.424 20.460 19.000 0.060 0.000 1.198 54 A HN 0.471 nan 8.150 nan 0.000 0.484 55 S N 4.125 119.842 115.700 0.028 0.000 2.130 55 S HA 0.433 4.903 4.470 0.001 0.000 0.165 55 S C -2.871 171.768 174.600 0.065 0.000 1.677 55 S CA -0.859 57.361 58.200 0.032 0.000 1.227 55 S CB 0.469 63.663 63.200 -0.010 0.000 1.115 55 S HN 0.572 nan 8.310 nan 0.000 0.452 56 P HA 0.310 nan 4.420 nan 0.000 0.278 56 P C -0.948 176.512 177.300 0.267 0.000 1.238 56 P CA -0.412 62.781 63.100 0.155 0.000 0.794 56 P CB 0.506 32.292 31.700 0.144 0.000 0.955 57 W N 4.325 125.666 121.300 0.068 0.000 2.424 57 W HA 0.260 4.920 4.660 0.001 0.000 0.318 57 W C 0.831 177.451 176.519 0.169 0.000 1.016 57 W CA -0.933 56.493 57.345 0.137 0.000 1.268 57 W CB 1.052 30.612 29.460 0.167 0.000 1.297 57 W HN 0.137 nan 8.180 nan 0.000 0.428 58 V N 6.858 126.979 119.914 0.346 0.000 2.392 58 V HA -0.241 3.880 4.120 0.001 0.000 0.249 58 V C 1.666 177.768 176.094 0.012 0.000 1.059 58 V CA 3.493 65.884 62.300 0.151 0.000 1.051 58 V CB -0.407 31.504 31.823 0.147 0.000 0.658 58 V HN 0.541 nan 8.190 nan 0.000 0.455 59 V N -3.132 116.663 119.914 -0.199 0.000 3.306 59 V HA 0.034 4.155 4.120 0.001 0.000 0.264 59 V C 1.910 177.893 176.094 -0.185 0.000 1.149 59 V CA 1.826 63.969 62.300 -0.262 0.000 1.143 59 V CB -0.304 31.267 31.823 -0.419 0.000 0.767 59 V HN 0.510 nan 8.190 nan 0.000 0.476 60 F N 2.453 122.225 119.950 -0.297 0.000 2.495 60 F HA 0.226 4.753 4.527 0.001 0.000 0.271 60 F C 2.327 178.220 175.800 0.155 0.000 0.889 60 F CA 1.775 59.719 58.000 -0.094 0.000 1.129 60 F CB -0.113 38.822 39.000 -0.109 0.000 1.169 60 F HN 0.211 nan 8.300 nan 0.000 0.781 61 T N -1.313 113.564 114.554 0.538 0.000 3.037 61 T HA 0.561 4.911 4.350 0.001 0.000 0.252 61 T C 0.954 175.821 174.700 0.279 0.000 1.073 61 T CA 0.514 62.891 62.100 0.462 0.000 1.091 61 T CB -0.024 68.994 68.868 0.250 0.000 0.935 61 T HN 0.857 nan 8.240 nan 0.000 0.488 62 G N 1.193 110.113 108.800 0.200 0.000 2.355 62 G HA2 0.301 4.261 3.960 0.001 0.000 0.619 62 G HA3 0.301 4.261 3.960 0.001 0.000 0.619 62 G C -0.490 174.492 174.900 0.137 0.000 1.337 62 G CA -0.474 44.702 45.100 0.126 0.000 0.993 62 G HN 0.969 nan 8.290 nan 0.000 0.599 63 S N -1.102 114.663 115.700 0.109 0.000 2.603 63 S HA 0.487 4.957 4.470 0.001 0.000 0.268 63 S C 1.512 176.174 174.600 0.103 0.000 1.317 63 S CA 0.386 58.651 58.200 0.109 0.000 1.012 63 S CB 1.679 64.932 63.200 0.088 0.000 0.926 63 S HN 2.037 nan 8.310 nan 0.000 0.539 64 V N 1.565 121.528 119.914 0.082 0.000 2.515 64 V HA -0.096 4.024 4.120 0.001 0.000 0.250 64 V C 2.195 178.288 176.094 -0.000 0.000 1.058 64 V CA 2.292 64.604 62.300 0.019 0.000 1.064 64 V CB -1.092 30.705 31.823 -0.044 0.000 0.675 64 V HN 0.963 nan 8.190 nan 0.000 0.461 65 E N 0.621 120.837 120.200 0.027 0.000 2.106 65 E HA -0.071 4.279 4.350 0.001 0.000 0.192 65 E C 2.253 178.930 176.600 0.129 0.000 0.984 65 E CA 1.452 57.890 56.400 0.063 0.000 0.806 65 E CB -0.596 29.143 29.700 0.064 0.000 0.750 65 E HN 0.682 nan 8.360 nan 0.000 0.458 66 A N 0.207 123.098 122.820 0.117 0.000 1.877 66 A HA -0.205 4.116 4.320 0.001 0.000 0.216 66 A C 2.403 180.079 177.584 0.154 0.000 1.186 66 A CA 2.028 54.145 52.037 0.134 0.000 0.620 66 A CB -1.038 18.031 19.000 0.115 0.000 0.822 66 A HN 0.246 nan 8.150 nan 0.000 0.443 67 T N -1.900 112.738 114.554 0.139 0.000 2.746 67 T HA -0.154 4.197 4.350 0.001 0.000 0.267 67 T C 1.738 176.525 174.700 0.145 0.000 1.039 67 T CA 1.713 63.894 62.100 0.134 0.000 1.142 67 T CB -0.369 68.567 68.868 0.113 0.000 0.866 67 T HN 0.570 nan 8.240 nan 0.000 0.444 68 Y N 1.476 121.799 120.300 0.038 0.000 2.163 68 Y HA -0.005 4.546 4.550 0.001 0.000 0.288 68 Y C 2.467 178.421 175.900 0.089 0.000 1.136 68 Y CA 1.135 59.260 58.100 0.043 0.000 1.147 68 Y CB -0.438 38.011 38.460 -0.018 0.000 0.987 68 Y HN 0.186 nan 8.280 nan 0.000 0.509 69 A N 0.430 123.429 122.820 0.297 0.000 1.933 69 A HA -0.126 4.195 4.320 0.001 0.000 0.218 69 A C 2.382 180.120 177.584 0.257 0.000 1.175 69 A CA 1.665 53.855 52.037 0.255 0.000 0.628 69 A CB -1.476 17.696 19.000 0.286 0.000 0.814 69 A HN 0.604 nan 8.150 nan 0.000 0.444 70 A N -0.134 122.844 122.820 0.264 0.000 1.873 70 A HA -0.139 4.182 4.320 0.001 0.000 0.218 70 A C 2.205 179.908 177.584 0.198 0.000 1.193 70 A CA 1.766 53.969 52.037 0.277 0.000 0.629 70 A CB -0.676 18.425 19.000 0.168 0.000 0.826 70 A HN 0.479 nan 8.150 nan 0.000 0.447 71 L N -1.072 120.217 121.223 0.110 0.000 2.044 71 L HA -0.144 4.197 4.340 0.001 0.000 0.205 71 L C 2.463 179.362 176.870 0.048 0.000 1.075 71 L CA 1.702 56.620 54.840 0.130 0.000 0.747 71 L CB -0.502 41.602 42.059 0.076 0.000 0.903 71 L HN 0.432 nan 8.230 nan 0.000 0.435 72 D N -0.327 120.010 120.400 -0.104 0.000 2.117 72 D HA -0.198 4.442 4.640 0.001 0.000 0.198 72 D C 2.332 178.514 176.300 -0.197 0.000 0.982 72 D CA 1.306 55.213 54.000 -0.156 0.000 0.828 72 D CB 0.215 40.914 40.800 -0.167 0.000 0.967 72 D HN 0.040 nan 8.370 nan 0.000 0.464 73 R N -1.986 118.365 120.500 -0.248 0.000 2.103 73 R HA 0.028 4.368 4.340 0.001 0.000 0.212 73 R C 1.802 177.767 176.300 -0.559 0.000 1.107 73 R CA 0.535 56.340 56.100 -0.492 0.000 1.025 73 R CB -0.036 29.770 30.300 -0.824 0.000 0.929 73 R HN 0.235 nan 8.270 nan 0.000 0.456 74 Y N -0.206 120.056 120.300 -0.062 0.000 2.441 74 Y HA 0.134 4.684 4.550 0.001 0.000 0.288 74 Y C 1.914 177.763 175.900 -0.085 0.000 1.118 74 Y CA 0.338 58.403 58.100 -0.057 0.000 1.215 74 Y CB 0.192 38.639 38.460 -0.021 0.000 1.118 74 Y HN -0.061 nan 8.280 nan 0.000 0.547 75 L N -0.357 120.888 121.223 0.036 0.000 2.127 75 L HA -0.029 4.312 4.340 0.001 0.000 0.203 75 L C 2.543 179.247 176.870 -0.277 0.000 1.080 75 L CA 0.725 55.550 54.840 -0.024 0.000 0.768 75 L CB -0.466 41.653 42.059 0.099 0.000 0.924 75 L HN 0.095 nan 8.230 nan 0.000 0.444 76 R N 1.087 121.212 120.500 -0.626 0.000 2.159 76 R HA -0.217 4.124 4.340 0.001 0.000 0.249 76 R C -0.593 175.335 176.300 -0.619 0.000 1.136 76 R CA 2.535 57.903 56.100 -1.221 0.000 0.951 76 R CB -1.341 28.344 30.300 -1.025 0.000 0.876 76 R HN 0.258 nan 8.270 nan 0.000 0.440 77 P HA -0.073 nan 4.420 nan 0.000 0.229 77 P C 1.048 178.260 177.300 -0.145 0.000 1.160 77 P CA 1.123 64.093 63.100 -0.216 0.000 0.777 77 P CB -0.003 31.602 31.700 -0.160 0.000 0.814 78 L N -1.399 119.747 121.223 -0.127 0.000 2.558 78 L HA 0.053 4.393 4.340 0.001 0.000 0.225 78 L C 2.086 178.921 176.870 -0.059 0.000 1.128 78 L CA 0.328 55.128 54.840 -0.068 0.000 0.868 78 L CB -0.096 41.944 42.059 -0.032 0.000 1.006 78 L HN -0.175 nan 8.230 nan 0.000 0.454 79 V N -1.199 118.659 119.914 -0.094 0.000 2.911 79 V HA 0.085 4.205 4.120 0.001 0.000 0.237 79 V C 1.097 177.177 176.094 -0.023 0.000 1.156 79 V CA -0.159 62.127 62.300 -0.023 0.000 1.180 79 V CB 0.397 32.275 31.823 0.092 0.000 0.932 79 V HN 0.087 nan 8.190 nan 0.000 0.483 80 L N 1.676 122.845 121.223 -0.090 0.000 2.499 80 L HA 0.351 4.691 4.340 0.001 0.000 0.273 80 L C 1.463 178.305 176.870 -0.046 0.000 1.195 80 L CA 1.372 56.179 54.840 -0.055 0.000 0.882 80 L CB 0.234 42.230 42.059 -0.105 0.000 1.133 80 L HN 0.547 nan 8.230 nan 0.000 0.483 81 G N 2.188 110.973 108.800 -0.026 0.000 2.199 81 G HA2 -0.222 3.738 3.960 0.001 0.000 0.254 81 G HA3 -0.222 3.738 3.960 0.001 0.000 0.254 81 G C 0.444 175.331 174.900 -0.021 0.000 0.982 81 G CA -0.406 44.679 45.100 -0.025 0.000 0.632 81 G HN 0.480 nan 8.290 nan 0.000 0.529 82 R N 0.760 121.248 120.500 -0.020 0.000 2.582 82 R HA 0.651 4.992 4.340 0.001 0.000 0.271 82 R C 0.767 177.058 176.300 -0.015 0.000 1.078 82 R CA 0.235 56.325 56.100 -0.017 0.000 1.127 82 R CB 0.355 30.645 30.300 -0.016 0.000 1.038 82 R HN 0.726 nan 8.270 nan 0.000 0.500 83 A N 1.661 124.474 122.820 -0.012 0.000 2.450 83 A HA 0.067 4.388 4.320 0.001 0.000 0.255 83 A C 1.386 178.961 177.584 -0.016 0.000 1.096 83 A CA -0.366 51.664 52.037 -0.012 0.000 0.778 83 A CB 0.550 19.546 19.000 -0.006 0.000 1.031 83 A HN 0.605 nan 8.150 nan 0.000 0.494 84 V N 3.562 123.462 119.914 -0.022 0.000 2.594 84 V HA -0.129 3.992 4.120 0.001 0.000 0.253 84 V C 2.149 178.234 176.094 -0.016 0.000 1.069 84 V CA 2.789 65.067 62.300 -0.037 0.000 1.082 84 V CB -0.700 31.098 31.823 -0.043 0.000 0.680 84 V HN 1.060 nan 8.190 nan 0.000 0.469 85 G N -1.131 107.669 108.800 0.001 0.000 2.534 85 G HA2 -0.152 3.809 3.960 0.001 0.000 0.217 85 G HA3 -0.152 3.809 3.960 0.001 0.000 0.217 85 G C 0.907 175.824 174.900 0.029 0.000 1.128 85 G CA 0.625 45.736 45.100 0.017 0.000 0.784 85 G HN 0.547 nan 8.290 nan 0.000 0.542 86 D N -0.610 119.803 120.400 0.022 0.000 2.344 86 D HA 0.083 4.723 4.640 0.001 0.000 0.242 86 D C 1.454 177.790 176.300 0.059 0.000 1.159 86 D CA -0.160 53.857 54.000 0.028 0.000 0.859 86 D CB -0.355 40.453 40.800 0.012 0.000 0.925 86 D HN 0.551 nan 8.370 nan 0.000 0.510 87 H N 0.916 119.943 119.070 -0.071 0.000 2.292 87 H HA -0.302 4.255 4.556 0.001 0.000 0.292 87 H C 1.969 177.244 175.328 -0.089 0.000 1.100 87 H CA 1.880 57.860 56.048 -0.113 0.000 1.238 87 H CB 0.437 30.081 29.762 -0.197 0.000 1.355 87 H HN 0.212 nan 8.280 nan 0.000 0.484 88 A N 0.697 123.552 122.820 0.058 0.000 1.902 88 A HA -0.125 4.195 4.320 0.001 0.000 0.217 88 A C 2.587 180.194 177.584 0.037 0.000 1.181 88 A CA 1.650 53.689 52.037 0.002 0.000 0.623 88 A CB -1.122 17.860 19.000 -0.030 0.000 0.818 88 A HN 0.648 nan 8.150 nan 0.000 0.443 89 A N -0.131 122.710 122.820 0.035 0.000 1.898 89 A HA -0.024 4.297 4.320 0.001 0.000 0.216 89 A C 2.096 179.699 177.584 0.032 0.000 1.181 89 A CA 1.380 53.434 52.037 0.027 0.000 0.620 89 A CB -0.589 18.422 19.000 0.018 0.000 0.819 89 A HN 0.493 nan 8.150 nan 0.000 0.442 90 I N -0.658 119.935 120.570 0.039 0.000 2.163 90 I HA -0.292 3.879 4.170 0.001 0.000 0.243 90 I C 2.552 178.696 176.117 0.045 0.000 1.085 90 I CA 1.257 62.575 61.300 0.030 0.000 1.347 90 I CB -0.313 37.692 38.000 0.009 0.000 1.044 90 I HN 0.256 nan 8.210 nan 0.000 0.408 91 M N -0.209 119.436 119.600 0.075 0.000 2.229 91 M HA -0.123 4.357 4.480 0.001 0.000 0.264 91 M C 2.198 178.532 176.300 0.057 0.000 1.063 91 M CA 1.436 56.783 55.300 0.080 0.000 1.114 91 M CB -1.019 31.653 32.600 0.120 0.000 1.387 91 M HN 0.209 nan 8.290 nan 0.000 0.420 92 E N 0.748 120.975 120.200 0.045 0.000 2.058 92 E HA -0.190 4.160 4.350 0.001 0.000 0.194 92 E C 1.566 178.181 176.600 0.025 0.000 0.997 92 E CA 1.282 57.701 56.400 0.031 0.000 0.801 92 E CB -0.284 29.430 29.700 0.023 0.000 0.746 92 E HN 0.491 nan 8.360 nan 0.000 0.450 93 D N 0.609 121.023 120.400 0.024 0.000 2.117 93 D HA -0.102 4.538 4.640 0.001 0.000 0.197 93 D C 1.865 178.178 176.300 0.022 0.000 0.987 93 D CA 1.338 55.348 54.000 0.017 0.000 0.829 93 D CB -0.313 40.495 40.800 0.013 0.000 0.961 93 D HN 0.144 nan 8.370 nan 0.000 0.460 94 A N 1.181 124.021 122.820 0.033 0.000 1.877 94 A HA -0.202 4.118 4.320 0.001 0.000 0.216 94 A C 2.193 179.797 177.584 0.034 0.000 1.186 94 A CA 1.366 53.428 52.037 0.042 0.000 0.620 94 A CB -0.499 18.536 19.000 0.058 0.000 0.822 94 A HN 0.109 nan 8.150 nan 0.000 0.443 95 R N -0.691 119.828 120.500 0.033 0.000 2.105 95 R HA -0.105 4.236 4.340 0.001 0.000 0.239 95 R C 2.325 178.622 176.300 -0.005 0.000 1.135 95 R CA 1.230 57.342 56.100 0.020 0.000 0.967 95 R CB -0.401 29.916 30.300 0.028 0.000 0.861 95 R HN 0.525 nan 8.270 nan 0.000 0.442 96 A N 0.560 123.378 122.820 -0.004 0.000 2.067 96 A HA 0.065 4.385 4.320 0.001 0.000 0.217 96 A C 2.158 179.726 177.584 -0.027 0.000 1.156 96 A CA 1.223 53.250 52.037 -0.017 0.000 0.683 96 A CB -0.186 18.809 19.000 -0.008 0.000 0.808 96 A HN 0.370 nan 8.150 nan 0.000 0.455 97 A N -1.240 121.571 122.820 -0.016 0.000 2.021 97 A HA 0.427 4.747 4.320 0.001 0.000 0.216 97 A C 0.810 178.349 177.584 -0.075 0.000 1.163 97 A CA 1.299 53.326 52.037 -0.015 0.000 0.676 97 A CB -0.118 18.901 19.000 0.032 0.000 0.818 97 A HN 1.045 nan 8.150 nan 0.000 0.453 98 V N -0.936 118.926 119.914 -0.088 0.000 2.817 98 V HA 0.615 4.735 4.120 0.001 0.000 0.303 98 V C -0.527 175.486 176.094 -0.134 0.000 1.151 98 V CA -0.543 61.664 62.300 -0.155 0.000 0.929 98 V CB 1.333 33.075 31.823 -0.134 0.000 1.030 98 V HN 0.700 nan 8.190 nan 0.000 0.427 99 A N 6.066 128.769 122.820 -0.195 0.000 2.407 99 A HA 0.772 5.092 4.320 0.001 0.000 0.248 99 A C 0.571 177.984 177.584 -0.286 0.000 1.082 99 A CA 0.770 52.604 52.037 -0.339 0.000 0.785 99 A CB -0.127 18.609 19.000 -0.441 0.000 1.020 99 A HN 1.638 nan 8.150 nan 0.000 0.489 100 H N -0.201 118.864 119.070 -0.008 0.000 1.452 100 H HA -0.208 4.349 4.556 0.001 0.000 0.090 100 H C 0.923 176.289 175.328 0.062 0.000 1.372 100 H CA 0.361 56.421 56.048 0.020 0.000 1.901 100 H CB -1.710 28.059 29.762 0.011 0.000 2.257 100 H HN 1.612 nan 8.280 nan 0.000 0.961 101 C N 0.272 119.718 119.300 0.245 0.000 4.235 101 C HA -0.173 4.287 4.460 0.001 0.000 0.301 101 C C 2.215 177.304 174.990 0.166 0.000 1.409 101 C CA 1.632 60.756 59.018 0.178 0.000 2.024 101 C CB -3.150 24.673 27.740 0.138 0.000 1.286 101 C HN 0.988 nan 8.230 nan 0.000 0.746 102 T N -2.053 112.629 114.554 0.212 0.000 2.881 102 T HA -0.157 4.194 4.350 0.001 0.000 0.270 102 T C 1.198 175.992 174.700 0.156 0.000 1.068 102 T CA 1.854 64.078 62.100 0.207 0.000 1.131 102 T CB -0.017 69.041 68.868 0.317 0.000 0.871 102 T HN 0.734 nan 8.240 nan 0.000 0.479 103 E N 2.345 122.633 120.200 0.146 0.000 2.072 103 E HA 0.158 4.509 4.350 0.001 0.000 0.191 103 E C 2.601 179.256 176.600 0.091 0.000 0.985 103 E CA 1.130 57.590 56.400 0.100 0.000 0.801 103 E CB -0.825 28.930 29.700 0.093 0.000 0.750 103 E HN 0.648 nan 8.360 nan 0.000 0.452 104 A N 1.519 124.401 122.820 0.102 0.000 1.883 104 A HA -0.285 4.035 4.320 0.001 0.000 0.217 104 A C 1.961 179.599 177.584 0.090 0.000 1.186 104 A CA 1.998 54.091 52.037 0.093 0.000 0.624 104 A CB -0.451 18.613 19.000 0.106 0.000 0.822 104 A HN 0.123 nan 8.150 nan 0.000 0.444 105 K N -0.310 120.150 120.400 0.101 0.000 2.097 105 K HA 0.018 4.338 4.320 0.001 0.000 0.205 105 K C 2.271 178.929 176.600 0.098 0.000 1.050 105 K CA 1.044 57.391 56.287 0.099 0.000 0.938 105 K CB -0.322 32.240 32.500 0.104 0.000 0.718 105 K HN 0.443 nan 8.250 nan 0.000 0.442 106 A N 1.626 124.505 122.820 0.098 0.000 1.902 106 A HA -0.119 4.201 4.320 0.001 0.000 0.217 106 A C 2.405 180.035 177.584 0.078 0.000 1.181 106 A CA 1.812 53.906 52.037 0.094 0.000 0.623 106 A CB -0.771 18.276 19.000 0.078 0.000 0.818 106 A HN 0.318 nan 8.150 nan 0.000 0.443 107 A N -0.446 122.409 122.820 0.058 0.000 1.908 107 A HA -0.069 4.252 4.320 0.001 0.000 0.218 107 A C 2.146 179.741 177.584 0.017 0.000 1.181 107 A CA 1.843 53.902 52.037 0.035 0.000 0.627 107 A CB -0.644 18.372 19.000 0.027 0.000 0.818 107 A HN 0.706 nan 8.150 nan 0.000 0.445 108 L N 0.171 121.407 121.223 0.023 0.000 2.017 108 L HA -0.141 4.199 4.340 0.001 0.000 0.208 108 L C 1.916 178.775 176.870 -0.019 0.000 1.073 108 L CA 2.776 57.615 54.840 -0.003 0.000 0.745 108 L CB -0.883 41.203 42.059 0.046 0.000 0.894 108 L HN 0.425 nan 8.230 nan 0.000 0.432 109 D N -1.328 119.105 120.400 0.055 0.000 2.116 109 D HA -0.196 4.444 4.640 0.001 0.000 0.193 109 D C 1.983 178.391 176.300 0.180 0.000 0.998 109 D CA 1.810 55.889 54.000 0.131 0.000 0.836 109 D CB -0.042 40.906 40.800 0.245 0.000 0.951 109 D HN 0.406 nan 8.370 nan 0.000 0.449 110 T N -0.366 114.284 114.554 0.160 0.000 2.708 110 T HA -0.129 4.221 4.350 0.001 0.000 0.266 110 T C 1.918 176.673 174.700 0.093 0.000 1.037 110 T CA 1.685 63.880 62.100 0.157 0.000 1.146 110 T CB -0.526 68.393 68.868 0.086 0.000 0.865 110 T HN 0.252 nan 8.240 nan 0.000 0.435 111 A N 0.983 123.810 122.820 0.011 0.000 1.933 111 A HA 0.022 4.342 4.320 0.001 0.000 0.218 111 A C 2.309 179.828 177.584 -0.108 0.000 1.175 111 A CA 1.179 53.184 52.037 -0.053 0.000 0.628 111 A CB -0.816 18.114 19.000 -0.117 0.000 0.814 111 A HN 0.470 nan 8.150 nan 0.000 0.444 112 L N -2.280 118.821 121.223 -0.203 0.000 2.056 112 L HA -0.187 4.154 4.340 0.001 0.000 0.207 112 L C 2.576 179.283 176.870 -0.272 0.000 1.078 112 L CA 1.328 55.917 54.840 -0.419 0.000 0.749 112 L CB -0.579 40.878 42.059 -1.004 0.000 0.901 112 L HN 0.426 nan 8.230 nan 0.000 0.433 113 Y N 0.089 120.380 120.300 -0.016 0.000 2.145 113 Y HA -0.295 4.256 4.550 0.001 0.000 0.286 113 Y C 2.467 178.356 175.900 -0.019 0.000 1.145 113 Y CA 1.714 59.868 58.100 0.090 0.000 1.148 113 Y CB -0.512 38.015 38.460 0.112 0.000 0.981 113 Y HN 0.244 nan 8.280 nan 0.000 0.507 114 D N -0.240 120.227 120.400 0.113 0.000 2.097 114 D HA -0.177 4.463 4.640 0.001 0.000 0.195 114 D C 2.156 178.457 176.300 0.002 0.000 0.989 114 D CA 1.033 55.050 54.000 0.027 0.000 0.827 114 D CB -0.364 40.459 40.800 0.038 0.000 0.966 114 D HN 0.203 nan 8.370 nan 0.000 0.456 115 L N 0.775 121.981 121.223 -0.028 0.000 2.017 115 L HA -0.050 4.290 4.340 0.001 0.000 0.208 115 L C 2.256 179.108 176.870 -0.030 0.000 1.073 115 L CA 1.723 56.532 54.840 -0.051 0.000 0.745 115 L CB -0.540 41.462 42.059 -0.094 0.000 0.894 115 L HN -0.043 nan 8.230 nan 0.000 0.432 116 R N -0.601 119.890 120.500 -0.014 0.000 2.092 116 R HA -0.060 4.280 4.340 0.001 0.000 0.231 116 R C 2.200 178.510 176.300 0.017 0.000 1.119 116 R CA 1.145 57.251 56.100 0.011 0.000 0.970 116 R CB -0.568 29.760 30.300 0.047 0.000 0.864 116 R HN 0.544 nan 8.270 nan 0.000 0.440 117 A N 1.175 124.007 122.820 0.020 0.000 1.898 117 A HA -0.131 4.189 4.320 0.001 0.000 0.216 117 A C 2.078 179.638 177.584 -0.040 0.000 1.181 117 A CA 1.010 53.034 52.037 -0.022 0.000 0.620 117 A CB -0.241 18.724 19.000 -0.058 0.000 0.819 117 A HN 0.194 nan 8.150 nan 0.000 0.442 118 R N -0.589 119.894 120.500 -0.029 0.000 2.073 118 R HA 0.048 4.389 4.340 0.001 0.000 0.229 118 R C 1.970 178.259 176.300 -0.019 0.000 1.120 118 R CA 1.352 57.438 56.100 -0.024 0.000 0.967 118 R CB -0.461 29.832 30.300 -0.011 0.000 0.862 118 R HN 0.542 nan 8.270 nan 0.000 0.436 119 I N 0.701 121.261 120.570 -0.017 0.000 2.194 119 I HA -0.289 3.882 4.170 0.001 0.000 0.246 119 I C 2.351 178.460 176.117 -0.014 0.000 1.093 119 I CA 1.497 62.788 61.300 -0.014 0.000 1.355 119 I CB -0.273 37.719 38.000 -0.014 0.000 1.046 119 I HN 0.203 nan 8.210 nan 0.000 0.413 120 A N 0.168 122.978 122.820 -0.016 0.000 2.169 120 A HA 0.275 4.596 4.320 0.001 0.000 0.212 120 A C 1.766 179.333 177.584 -0.028 0.000 1.153 120 A CA 0.722 52.748 52.037 -0.018 0.000 0.756 120 A CB -0.575 18.416 19.000 -0.015 0.000 0.813 120 A HN 0.562 nan 8.150 nan 0.000 0.471 121 G N -0.483 108.296 108.800 -0.035 0.000 2.298 121 G HA2 -0.015 3.946 3.960 0.001 0.000 0.287 121 G HA3 -0.015 3.946 3.960 0.001 0.000 0.287 121 G C 0.120 174.979 174.900 -0.069 0.000 1.075 121 G CA 0.684 45.759 45.100 -0.042 0.000 0.960 121 G HN 1.820 nan 8.290 nan 0.000 0.502 122 V N -3.526 116.326 119.914 -0.104 0.000 3.040 122 V HA 0.978 5.098 4.120 0.001 0.000 0.312 122 V C -2.309 173.627 176.094 -0.262 0.000 1.115 122 V CA -2.714 59.474 62.300 -0.186 0.000 0.998 122 V CB 2.482 34.194 31.823 -0.184 0.000 1.042 122 V HN 0.102 nan 8.190 nan 0.000 0.433 123 P HA 0.248 nan 4.420 nan 0.000 0.272 123 P C 0.991 177.982 177.300 -0.514 0.000 1.230 123 P CA -0.034 62.769 63.100 -0.495 0.000 0.788 123 P CB 1.233 32.449 31.700 -0.807 0.000 0.949 124 V N 1.768 121.399 119.914 -0.470 0.000 2.407 124 V HA -0.199 3.921 4.120 0.001 0.000 0.248 124 V C 2.219 178.253 176.094 -0.100 0.000 1.055 124 V CA 1.887 63.987 62.300 -0.334 0.000 1.049 124 V CB -1.420 30.087 31.823 -0.526 0.000 0.662 124 V HN 0.731 nan 8.190 nan 0.000 0.455 125 W N 0.679 122.141 121.300 0.270 0.000 2.364 125 W HA -0.109 4.551 4.660 0.000 0.000 0.281 125 W C 2.052 178.606 176.519 0.058 0.000 1.219 125 W CA 0.812 58.246 57.345 0.148 0.000 1.220 125 W CB -0.931 28.618 29.460 0.148 0.000 1.127 125 W HN 0.289 nan 8.180 nan 0.000 0.556 126 A N 1.541 124.287 122.820 -0.124 0.000 2.121 126 A HA 0.006 4.327 4.320 0.001 0.000 0.218 126 A C 2.107 179.711 177.584 0.033 0.000 1.154 126 A CA 0.989 52.996 52.037 -0.050 0.000 0.679 126 A CB -0.755 18.019 19.000 -0.377 0.000 0.795 126 A HN 0.409 nan 8.150 nan 0.000 0.458 127 L N -1.208 120.025 121.223 0.016 0.000 2.567 127 L HA 0.194 4.534 4.340 0.001 0.000 0.225 127 L C 0.988 177.897 176.870 0.064 0.000 1.119 127 L CA 0.195 55.084 54.840 0.081 0.000 0.871 127 L CB 0.025 42.196 42.059 0.187 0.000 1.036 127 L HN 0.313 nan 8.230 nan 0.000 0.459 128 L N -0.706 120.533 121.223 0.026 0.000 2.910 128 L HA 0.392 4.733 4.340 0.001 0.000 0.252 128 L C 1.100 178.013 176.870 0.070 0.000 1.195 128 L CA 0.297 55.135 54.840 -0.004 0.000 1.003 128 L CB 0.498 42.515 42.059 -0.070 0.000 1.328 128 L HN 0.300 nan 8.230 nan 0.000 0.540 129 G N -0.905 107.959 108.800 0.106 0.000 2.205 129 G HA2 0.022 3.983 3.960 0.001 0.000 0.180 129 G HA3 0.022 3.983 3.960 0.001 0.000 0.180 129 G C 0.581 175.564 174.900 0.138 0.000 1.004 129 G CA -0.257 44.904 45.100 0.102 0.000 0.670 129 G HN 0.767 nan 8.290 nan 0.000 0.496 130 G N -0.635 108.312 108.800 0.246 0.000 2.660 130 G HA2 0.152 4.112 3.960 0.001 0.000 0.215 130 G HA3 0.152 4.112 3.960 0.001 0.000 0.215 130 G C -0.342 174.649 174.900 0.150 0.000 1.345 130 G CA 0.531 45.837 45.100 0.343 0.000 0.877 130 G HN 1.196 nan 8.290 nan 0.000 0.549 131 R N -1.002 119.407 120.500 -0.151 0.000 2.589 131 R HA 0.600 4.940 4.340 0.001 0.000 0.293 131 R C 1.397 177.533 176.300 -0.273 0.000 0.963 131 R CA -0.265 55.544 56.100 -0.485 0.000 0.905 131 R CB 0.981 30.552 30.300 -1.215 0.000 1.144 131 R HN 1.379 nan 8.270 nan 0.000 0.459 132 C N 2.270 121.437 119.300 -0.222 0.000 3.230 132 C HA 0.449 4.909 4.460 0.001 0.000 0.300 132 C C 0.146 175.046 174.990 -0.150 0.000 1.292 132 C CA -0.634 58.297 59.018 -0.145 0.000 1.707 132 C CB -0.531 27.160 27.740 -0.082 0.000 2.181 132 C HN 0.837 nan 8.230 nan 0.000 0.655 133 R N 0.730 121.110 120.500 -0.200 0.000 2.604 133 R HA 0.500 4.840 4.340 0.001 0.000 0.270 133 R C -0.944 175.220 176.300 -0.226 0.000 1.052 133 R CA 0.187 56.188 56.100 -0.165 0.000 0.902 133 R CB 0.761 31.003 30.300 -0.096 0.000 1.233 133 R HN 0.161 nan 8.270 nan 0.000 0.455 134 D N 1.398 121.690 120.400 -0.180 0.000 2.398 134 D HA 0.125 4.766 4.640 0.001 0.000 0.210 134 D C -0.195 176.042 176.300 -0.107 0.000 1.094 134 D CA -0.072 53.820 54.000 -0.181 0.000 0.839 134 D CB 0.588 41.295 40.800 -0.155 0.000 0.963 134 D HN 0.422 nan 8.370 nan 0.000 0.506 135 R N 0.089 120.550 120.500 -0.066 0.000 2.621 135 R HA 0.644 4.985 4.340 0.001 0.000 0.284 135 R C -0.930 175.418 176.300 0.080 0.000 0.998 135 R CA -0.726 55.380 56.100 0.009 0.000 0.895 135 R CB 2.404 32.686 30.300 -0.030 0.000 1.195 135 R HN -0.029 nan 8.270 nan 0.000 0.450 136 I N 3.048 123.686 120.570 0.113 0.000 2.466 136 I HA 0.336 4.506 4.170 0.001 0.000 0.289 136 I C -2.331 173.773 176.117 -0.021 0.000 1.026 136 I CA -2.647 58.688 61.300 0.058 0.000 1.078 136 I CB 2.255 40.267 38.000 0.021 0.000 1.249 136 I HN 0.210 nan 8.210 nan 0.000 0.429 137 P HA 0.060 nan 4.420 nan 0.000 0.265 137 P C -0.806 176.348 177.300 -0.244 0.000 1.193 137 P CA -0.139 62.702 63.100 -0.432 0.000 0.765 137 P CB 0.581 32.101 31.700 -0.301 0.000 0.823 138 L N 3.045 124.127 121.223 -0.235 0.000 2.322 138 L HA 0.605 4.945 4.340 0.001 0.000 0.279 138 L C -0.075 176.747 176.870 -0.080 0.000 1.036 138 L CA -0.086 54.697 54.840 -0.095 0.000 0.807 138 L CB 1.633 43.703 42.059 0.019 0.000 1.226 138 L HN 0.234 nan 8.230 nan 0.000 0.433 139 S N 4.063 119.745 115.700 -0.031 0.000 2.482 139 S HA 0.595 5.065 4.470 0.001 0.000 0.303 139 S C -0.924 173.638 174.600 -0.063 0.000 1.091 139 S CA -0.607 57.572 58.200 -0.035 0.000 1.057 139 S CB 0.915 64.137 63.200 0.037 0.000 1.031 139 S HN 0.890 nan 8.310 nan 0.000 0.485 140 C N 3.876 123.041 119.300 -0.226 0.000 2.411 140 C HA 0.792 5.253 4.460 0.001 0.000 0.330 140 C C 0.448 175.053 174.990 -0.643 0.000 1.224 140 C CA -0.323 58.349 59.018 -0.578 0.000 1.770 140 C CB 0.743 28.127 27.740 -0.593 0.000 2.297 140 C HN 0.929 nan 8.230 nan 0.000 0.507 141 S N 4.455 119.521 115.700 -1.058 0.000 2.584 141 S HA 0.564 5.034 4.470 0.001 0.000 0.273 141 S C -0.363 173.998 174.600 -0.398 0.000 1.311 141 S CA -0.331 57.532 58.200 -0.563 0.000 1.034 141 S CB 0.587 63.539 63.200 -0.412 0.000 0.939 141 S HN 0.606 nan 8.310 nan 0.000 0.513 142 I N 2.740 123.175 120.570 -0.226 0.000 2.428 142 I HA 0.378 4.549 4.170 0.001 0.000 0.279 142 I C 0.393 176.501 176.117 -0.014 0.000 1.040 142 I CA -0.253 60.970 61.300 -0.128 0.000 1.171 142 I CB 0.477 38.401 38.000 -0.127 0.000 1.312 142 I HN 0.783 nan 8.210 nan 0.000 0.470 143 A N 4.207 127.036 122.820 0.015 0.000 2.622 143 A HA 0.180 4.501 4.320 0.001 0.000 0.283 143 A C 0.187 177.805 177.584 0.056 0.000 0.998 143 A CA -0.327 51.729 52.037 0.032 0.000 0.985 143 A CB 0.153 19.096 19.000 -0.095 0.000 1.236 143 A HN 0.541 nan 8.150 nan 0.000 0.559 144 D N 1.341 121.861 120.400 0.200 0.000 2.264 144 D HA 0.234 4.875 4.640 0.001 0.000 0.250 144 D C -1.428 175.148 176.300 0.459 0.000 1.113 144 D CA -1.415 52.722 54.000 0.229 0.000 0.871 144 D CB 1.855 42.766 40.800 0.186 0.000 1.167 144 D HN 0.050 nan 8.370 nan 0.000 0.447 145 P HA -0.114 nan 4.420 nan 0.000 0.218 145 P C 0.312 177.782 177.300 0.283 0.000 1.148 145 P CA 0.716 64.038 63.100 0.371 0.000 0.822 145 P CB 0.307 32.140 31.700 0.221 0.000 0.784 146 D N -0.565 119.989 120.400 0.256 0.000 2.393 146 D HA 0.008 4.648 4.640 0.001 0.000 0.232 146 D C 0.578 177.073 176.300 0.325 0.000 1.192 146 D CA -0.659 53.486 54.000 0.242 0.000 0.882 146 D CB -0.206 40.676 40.800 0.137 0.000 1.038 146 D HN -0.160 nan 8.370 nan 0.000 0.499 147 F N 3.476 123.573 119.950 0.246 0.000 2.293 147 F HA -0.114 4.413 4.527 0.001 0.000 0.300 147 F C 1.551 177.385 175.800 0.057 0.000 1.086 147 F CA 0.962 59.049 58.000 0.146 0.000 1.375 147 F CB 0.213 39.269 39.000 0.093 0.000 1.045 147 F HN 0.325 nan 8.300 nan 0.000 0.516 148 D N 0.426 120.813 120.400 -0.022 0.000 2.123 148 D HA -0.192 4.449 4.640 0.001 0.000 0.196 148 D C 2.267 178.481 176.300 -0.144 0.000 0.992 148 D CA 1.106 55.021 54.000 -0.142 0.000 0.833 148 D CB -0.267 40.516 40.800 -0.029 0.000 0.954 148 D HN 0.306 nan 8.370 nan 0.000 0.455 149 K N 0.407 120.777 120.400 -0.051 0.000 2.074 149 K HA -0.160 4.160 4.320 0.001 0.000 0.209 149 K C 1.552 178.097 176.600 -0.091 0.000 1.048 149 K CA 1.107 57.372 56.287 -0.037 0.000 0.926 149 K CB 0.011 32.526 32.500 0.025 0.000 0.713 149 K HN 0.069 nan 8.250 nan 0.000 0.444 150 D N 0.703 121.027 120.400 -0.127 0.000 2.183 150 D HA -0.078 4.562 4.640 0.001 0.000 0.203 150 D C 1.912 178.002 176.300 -0.350 0.000 0.969 150 D CA 0.642 54.535 54.000 -0.178 0.000 0.842 150 D CB -0.042 40.735 40.800 -0.039 0.000 0.957 150 D HN 0.121 nan 8.370 nan 0.000 0.484 151 L N 0.482 121.393 121.223 -0.521 0.000 2.131 151 L HA -0.163 4.177 4.340 0.001 0.000 0.210 151 L C 2.429 179.165 176.870 -0.223 0.000 1.092 151 L CA 1.039 55.614 54.840 -0.443 0.000 0.759 151 L CB -0.268 41.506 42.059 -0.476 0.000 0.903 151 L HN -0.018 nan 8.230 nan 0.000 0.435 152 A N -0.152 122.569 122.820 -0.166 0.000 1.873 152 A HA -0.216 4.104 4.320 0.001 0.000 0.215 152 A C 2.174 179.702 177.584 -0.093 0.000 1.186 152 A CA 1.488 53.474 52.037 -0.085 0.000 0.616 152 A CB -0.703 18.267 19.000 -0.050 0.000 0.823 152 A HN 0.302 nan 8.150 nan 0.000 0.442 153 L N -0.636 120.512 121.223 -0.124 0.000 2.043 153 L HA -0.199 4.141 4.340 0.001 0.000 0.212 153 L C 2.377 179.115 176.870 -0.220 0.000 1.075 153 L CA 2.060 56.823 54.840 -0.127 0.000 0.752 153 L CB -0.509 41.469 42.059 -0.135 0.000 0.891 153 L HN 0.323 nan 8.230 nan 0.000 0.432 154 M N -1.097 118.276 119.600 -0.378 0.000 2.108 154 M HA -0.210 4.270 4.480 0.001 0.000 0.261 154 M C 2.207 178.254 176.300 -0.422 0.000 1.066 154 M CA 1.561 56.462 55.300 -0.665 0.000 1.107 154 M CB -1.235 30.581 32.600 -1.306 0.000 1.356 154 M HN 0.399 nan 8.290 nan 0.000 0.406 155 Q N -0.469 119.240 119.800 -0.152 0.000 2.096 155 Q HA -0.178 4.163 4.340 0.001 0.000 0.204 155 Q C 2.170 178.207 176.000 0.062 0.000 0.982 155 Q CA 1.324 57.169 55.803 0.070 0.000 0.850 155 Q CB -0.615 28.181 28.738 0.097 0.000 0.901 155 Q HN 0.529 nan 8.270 nan 0.000 0.422 156 R N 0.624 121.142 120.500 0.031 0.000 2.081 156 R HA -0.089 4.251 4.340 0.001 0.000 0.235 156 R C 2.440 178.808 176.300 0.114 0.000 1.131 156 R CA 0.852 57.004 56.100 0.086 0.000 0.960 156 R CB -0.222 30.148 30.300 0.117 0.000 0.856 156 R HN 0.247 nan 8.270 nan 0.000 0.436 157 L N 0.254 121.499 121.223 0.036 0.000 2.017 157 L HA -0.219 4.121 4.340 0.001 0.000 0.208 157 L C 2.827 179.813 176.870 0.193 0.000 1.073 157 L CA 1.590 56.468 54.840 0.063 0.000 0.745 157 L CB -0.598 41.445 42.059 -0.027 0.000 0.894 157 L HN 0.355 nan 8.230 nan 0.000 0.432 158 Q N 0.056 120.014 119.800 0.264 0.000 2.096 158 Q HA -0.240 4.100 4.340 0.001 0.000 0.204 158 Q C 1.709 177.818 176.000 0.182 0.000 0.982 158 Q CA 1.892 57.892 55.803 0.327 0.000 0.850 158 Q CB 0.089 29.080 28.738 0.421 0.000 0.901 158 Q HN 0.470 nan 8.270 nan 0.000 0.422 159 D N 0.560 121.049 120.400 0.149 0.000 2.178 159 D HA -0.130 4.510 4.640 0.001 0.000 0.201 159 D C 0.906 177.270 176.300 0.105 0.000 0.980 159 D CA 1.022 55.089 54.000 0.112 0.000 0.842 159 D CB -0.209 40.650 40.800 0.097 0.000 0.948 159 D HN 0.292 nan 8.370 nan 0.000 0.472 160 D N 0.341 120.820 120.400 0.131 0.000 2.349 160 D HA -0.039 4.601 4.640 0.001 0.000 0.224 160 D C 0.194 176.558 176.300 0.106 0.000 1.029 160 D CA 0.218 54.300 54.000 0.138 0.000 0.879 160 D CB 0.117 41.056 40.800 0.231 0.000 0.906 160 D HN 0.057 nan 8.370 nan 0.000 0.528 161 D N -1.039 119.406 120.400 0.075 0.000 3.028 161 D HA -0.162 4.479 4.640 0.001 0.000 0.207 161 D C -0.247 176.035 176.300 -0.031 0.000 1.100 161 D CA 0.279 54.294 54.000 0.026 0.000 0.995 161 D CB -1.159 39.668 40.800 0.045 0.000 1.108 161 D HN 0.133 nan 8.370 nan 0.000 0.421 162 V N 1.259 121.162 119.914 -0.018 0.000 2.599 162 V HA 0.014 4.134 4.120 0.001 0.000 0.300 162 V C 1.599 177.457 176.094 -0.393 0.000 1.034 162 V CA 0.860 63.098 62.300 -0.104 0.000 1.115 162 V CB 1.348 33.163 31.823 -0.015 0.000 0.934 162 V HN 0.072 nan 8.190 nan 0.000 0.485 163 R N 4.122 124.316 120.500 -0.509 0.000 2.566 163 R HA 0.443 4.784 4.340 0.001 0.000 0.388 163 R C -0.557 175.406 176.300 -0.562 0.000 0.989 163 R CA 0.064 55.626 56.100 -0.896 0.000 1.164 163 R CB 0.603 30.579 30.300 -0.540 0.000 1.459 163 R HN 0.597 nan 8.270 nan 0.000 0.553 164 I N 1.818 122.225 120.570 -0.272 0.000 2.498 164 I HA 0.480 4.651 4.170 0.001 0.000 0.290 164 I C -0.026 176.094 176.117 0.006 0.000 1.032 164 I CA -1.196 60.047 61.300 -0.095 0.000 1.073 164 I CB 2.243 40.174 38.000 -0.115 0.000 1.251 164 I HN -0.120 nan 8.210 nan 0.000 0.426 165 I N 1.745 122.326 120.570 0.019 0.000 2.934 165 I HA 0.632 4.802 4.170 0.001 0.000 0.306 165 I C -0.961 175.062 176.117 -0.157 0.000 1.110 165 I CA -0.919 60.330 61.300 -0.085 0.000 1.019 165 I CB 2.279 40.211 38.000 -0.114 0.000 1.227 165 I HN 0.481 nan 8.210 nan 0.000 0.434 166 K N 3.913 124.206 120.400 -0.178 0.000 2.507 166 K HA 0.473 4.793 4.320 0.001 0.000 0.253 166 K C -1.440 175.068 176.600 -0.153 0.000 0.969 166 K CA -0.762 55.423 56.287 -0.170 0.000 0.908 166 K CB 1.533 33.975 32.500 -0.096 0.000 1.127 166 K HN 0.691 nan 8.250 nan 0.000 0.437 167 L N 5.008 126.136 121.223 -0.159 0.000 2.433 167 L HA 0.154 4.495 4.340 0.001 0.000 0.275 167 L C -0.494 176.322 176.870 -0.092 0.000 1.128 167 L CA 0.442 55.199 54.840 -0.139 0.000 0.875 167 L CB 0.287 42.231 42.059 -0.192 0.000 1.171 167 L HN 0.452 nan 8.230 nan 0.000 0.463 168 K N 4.185 124.585 120.400 0.000 0.000 2.312 168 K HA 0.314 4.635 4.320 0.001 0.000 0.287 168 K C 0.020 176.738 176.600 0.196 0.000 1.062 168 K CA -0.177 56.167 56.287 0.095 0.000 0.934 168 K CB 0.474 33.051 32.500 0.128 0.000 1.027 168 K HN 0.749 nan 8.250 nan 0.000 0.478 169 T N -2.615 111.956 114.554 0.029 0.000 2.942 169 T HA 0.555 4.905 4.350 0.001 0.000 0.289 169 T C 0.871 175.688 174.700 0.196 0.000 1.044 169 T CA -0.205 61.851 62.100 -0.073 0.000 1.023 169 T CB 1.841 70.350 68.868 -0.598 0.000 1.123 169 T HN 0.724 nan 8.240 nan 0.000 0.512 170 G N 0.590 109.540 108.800 0.250 0.000 2.160 170 G HA2 -0.274 3.686 3.960 0.001 0.000 0.251 170 G HA3 -0.274 3.686 3.960 0.001 0.000 0.251 170 G C 0.191 175.267 174.900 0.293 0.000 1.008 170 G CA 0.577 45.897 45.100 0.367 0.000 0.724 170 G HN 1.277 nan 8.290 nan 0.000 0.514 171 F N -1.744 118.323 119.950 0.196 0.000 2.717 171 F HA 0.577 5.105 4.527 0.001 0.000 0.295 171 F C 1.696 177.548 175.800 0.086 0.000 1.117 171 F CA 0.322 58.409 58.000 0.146 0.000 1.361 171 F CB 0.010 39.099 39.000 0.148 0.000 1.112 171 F HN 0.108 nan 8.300 nan 0.000 0.594 172 K N 0.448 120.581 120.400 -0.444 0.000 3.233 172 K HA 0.222 4.542 4.320 0.001 0.000 0.241 172 K C -0.508 176.004 176.600 -0.147 0.000 1.172 172 K CA 0.649 56.716 56.287 -0.368 0.000 1.272 172 K CB -0.204 31.829 32.500 -0.777 0.000 1.914 172 K HN 0.329 nan 8.250 nan 0.000 0.454 173 D N -2.107 118.239 120.400 -0.091 0.000 2.626 173 D HA 0.074 4.715 4.640 0.001 0.000 0.278 173 D C 0.619 176.981 176.300 0.104 0.000 1.211 173 D CA -0.500 53.516 54.000 0.026 0.000 0.903 173 D CB 0.543 41.354 40.800 0.019 0.000 1.408 173 D HN 0.156 nan 8.370 nan 0.000 0.454 174 H N 0.143 119.232 119.070 0.032 0.000 2.389 174 H HA 0.141 4.697 4.556 0.001 0.000 0.299 174 H C 1.867 177.215 175.328 0.034 0.000 1.081 174 H CA 2.782 58.859 56.048 0.049 0.000 1.345 174 H CB -0.279 29.512 29.762 0.048 0.000 1.393 174 H HN 0.478 nan 8.280 nan 0.000 0.520 175 A N 0.023 122.828 122.820 -0.025 0.000 1.940 175 A HA -0.175 4.146 4.320 0.001 0.000 0.219 175 A C 2.304 179.839 177.584 -0.081 0.000 1.176 175 A CA 1.488 53.475 52.037 -0.082 0.000 0.631 175 A CB -1.268 17.729 19.000 -0.005 0.000 0.814 175 A HN 0.537 nan 8.150 nan 0.000 0.446 176 F N 1.319 121.150 119.950 -0.198 0.000 2.161 176 F HA -0.185 4.343 4.527 0.001 0.000 0.300 176 F C 1.752 177.352 175.800 -0.333 0.000 1.089 176 F CA 1.988 59.831 58.000 -0.262 0.000 1.282 176 F CB -0.135 38.697 39.000 -0.280 0.000 1.010 176 F HN 0.269 nan 8.300 nan 0.000 0.485 177 D N -0.283 119.958 120.400 -0.265 0.000 2.103 177 D HA -0.146 4.494 4.640 0.001 0.000 0.199 177 D C 2.423 178.478 176.300 -0.409 0.000 0.978 177 D CA 1.209 54.992 54.000 -0.362 0.000 0.829 177 D CB -0.306 40.404 40.800 -0.150 0.000 0.981 177 D HN 0.234 nan 8.370 nan 0.000 0.464 178 M N 0.365 119.746 119.600 -0.365 0.000 2.159 178 M HA -0.089 4.391 4.480 0.001 0.000 0.263 178 M C 2.151 178.261 176.300 -0.317 0.000 1.063 178 M CA 0.797 55.936 55.300 -0.267 0.000 1.110 178 M CB -0.826 31.639 32.600 -0.225 0.000 1.374 178 M HN 0.096 nan 8.290 nan 0.000 0.411 179 M N 0.564 119.962 119.600 -0.336 0.000 2.065 179 M HA -0.224 4.256 4.480 0.001 0.000 0.259 179 M C 2.077 178.076 176.300 -0.502 0.000 1.069 179 M CA 1.907 57.005 55.300 -0.337 0.000 1.110 179 M CB -0.575 31.850 32.600 -0.293 0.000 1.328 179 M HN 0.209 nan 8.290 nan 0.000 0.405 180 R N -0.083 119.943 120.500 -0.788 0.000 2.081 180 R HA -0.094 4.246 4.340 0.001 0.000 0.235 180 R C 2.373 178.296 176.300 -0.628 0.000 1.131 180 R CA 1.396 56.892 56.100 -1.008 0.000 0.960 180 R CB -0.544 28.947 30.300 -1.350 0.000 0.856 180 R HN 0.413 nan 8.270 nan 0.000 0.436 181 L N 0.649 121.470 121.223 -0.670 0.000 2.012 181 L HA -0.224 4.117 4.340 0.001 0.000 0.210 181 L C 2.648 178.979 176.870 -0.899 0.000 1.073 181 L CA 1.552 55.907 54.840 -0.808 0.000 0.748 181 L CB -0.396 41.003 42.059 -1.100 0.000 0.891 181 L HN 0.281 nan 8.230 nan 0.000 0.431 182 E N -0.068 119.593 120.200 -0.898 0.000 2.051 182 E HA -0.301 4.050 4.350 0.001 0.000 0.192 182 E C 2.296 178.777 176.600 -0.199 0.000 0.991 182 E CA 1.225 57.362 56.400 -0.439 0.000 0.799 182 E CB 0.074 29.689 29.700 -0.141 0.000 0.748 182 E HN 0.142 nan 8.360 nan 0.000 0.449 183 R N 0.437 120.835 120.500 -0.170 0.000 2.081 183 R HA -0.089 4.252 4.340 0.001 0.000 0.235 183 R C 2.297 178.609 176.300 0.021 0.000 1.131 183 R CA 1.374 57.462 56.100 -0.020 0.000 0.960 183 R CB -0.488 29.879 30.300 0.112 0.000 0.856 183 R HN 0.249 nan 8.270 nan 0.000 0.436 184 L N -0.173 121.041 121.223 -0.016 0.000 2.093 184 L HA -0.079 4.261 4.340 0.001 0.000 0.208 184 L C 2.436 179.323 176.870 0.027 0.000 1.085 184 L CA 0.934 55.800 54.840 0.043 0.000 0.755 184 L CB -0.354 41.667 42.059 -0.063 0.000 0.904 184 L HN 0.070 nan 8.230 nan 0.000 0.435 185 R N 0.202 120.672 120.500 -0.051 0.000 2.115 185 R HA -0.043 4.297 4.340 0.001 0.000 0.230 185 R C 2.236 178.546 176.300 0.017 0.000 1.111 185 R CA 1.341 57.443 56.100 0.002 0.000 0.976 185 R CB -0.882 29.431 30.300 0.022 0.000 0.870 185 R HN 0.367 nan 8.270 nan 0.000 0.445 186 A N 1.115 123.930 122.820 -0.007 0.000 1.841 186 A HA -0.127 4.194 4.320 0.001 0.000 0.214 186 A C 1.451 178.989 177.584 -0.076 0.000 1.195 186 A CA 1.709 53.732 52.037 -0.024 0.000 0.611 186 A CB -0.273 18.712 19.000 -0.026 0.000 0.835 186 A HN 0.141 nan 8.150 nan 0.000 0.443 187 D N -2.063 118.266 120.400 -0.119 0.000 2.346 187 D HA 0.167 4.807 4.640 0.001 0.000 0.206 187 D C -0.467 175.424 176.300 -0.681 0.000 1.001 187 D CA 0.625 54.405 54.000 -0.367 0.000 0.871 187 D CB 0.138 40.704 40.800 -0.390 0.000 0.943 187 D HN 0.393 nan 8.370 nan 0.000 0.518 188 F N 0.291 120.198 119.950 -0.072 0.000 2.593 188 F HA 0.245 4.773 4.527 0.001 0.000 0.336 188 F C -1.738 174.098 175.800 0.059 0.000 1.491 188 F CA -1.384 56.583 58.000 -0.054 0.000 1.114 188 F CB 1.703 40.510 39.000 -0.323 0.000 1.468 188 F HN -0.172 nan 8.300 nan 0.000 0.579 189 P HA -0.065 nan 4.420 nan 0.000 0.233 189 P C 1.247 178.638 177.300 0.152 0.000 1.167 189 P CA 0.840 64.013 63.100 0.123 0.000 0.770 189 P CB 0.360 32.093 31.700 0.055 0.000 0.837 190 A N -1.179 121.771 122.820 0.217 0.000 2.208 190 A HA 0.111 4.432 4.320 0.001 0.000 0.209 190 A C 0.633 178.284 177.584 0.112 0.000 1.161 190 A CA 0.019 52.141 52.037 0.141 0.000 0.782 190 A CB -0.930 18.133 19.000 0.105 0.000 0.816 190 A HN 0.034 nan 8.150 nan 0.000 0.477 191 F N 0.701 120.665 119.950 0.023 0.000 2.396 191 F HA 0.303 4.831 4.527 0.001 0.000 0.343 191 F C 0.474 176.243 175.800 -0.052 0.000 1.104 191 F CA -1.281 56.704 58.000 -0.024 0.000 1.161 191 F CB 0.758 39.732 39.000 -0.043 0.000 1.146 191 F HN 0.043 nan 8.300 nan 0.000 0.522 192 D N 4.608 125.018 120.400 0.018 0.000 2.338 192 D HA 0.197 4.837 4.640 0.001 0.000 0.255 192 D C -0.446 175.823 176.300 -0.052 0.000 1.237 192 D CA 0.108 54.083 54.000 -0.042 0.000 0.883 192 D CB 0.203 40.945 40.800 -0.097 0.000 1.087 192 D HN 0.328 nan 8.370 nan 0.000 0.485 193 I N 4.128 124.651 120.570 -0.078 0.000 2.354 193 I HA 0.362 4.532 4.170 0.001 0.000 0.292 193 I C 0.468 176.432 176.117 -0.255 0.000 0.989 193 I CA -0.855 60.366 61.300 -0.131 0.000 1.188 193 I CB 1.328 39.271 38.000 -0.096 0.000 1.342 193 I HN 0.114 nan 8.210 nan 0.000 0.457 194 R N 3.984 124.270 120.500 -0.358 0.000 2.873 194 R HA 0.792 5.133 4.340 0.001 0.000 0.264 194 R C -1.235 174.876 176.300 -0.315 0.000 1.026 194 R CA -0.773 54.999 56.100 -0.545 0.000 1.002 194 R CB 2.082 31.748 30.300 -1.057 0.000 1.174 194 R HN 0.307 nan 8.270 nan 0.000 0.488 195 V N 0.720 120.501 119.914 -0.222 0.000 2.656 195 V HA 0.393 4.514 4.120 0.001 0.000 0.307 195 V C -1.278 174.793 176.094 -0.040 0.000 1.051 195 V CA -0.635 61.577 62.300 -0.147 0.000 0.893 195 V CB 2.065 33.803 31.823 -0.142 0.000 0.999 195 V HN 0.671 nan 8.190 nan 0.000 0.426 196 D N 1.913 122.267 120.400 -0.075 0.000 2.620 196 D HA 0.361 5.002 4.640 0.001 0.000 0.252 196 D C -0.303 176.003 176.300 0.010 0.000 1.207 196 D CA -0.304 53.722 54.000 0.045 0.000 0.884 196 D CB 1.530 42.400 40.800 0.116 0.000 1.262 196 D HN 0.465 nan 8.370 nan 0.000 0.552 197 Y N 2.465 122.848 120.300 0.139 0.000 2.500 197 Y HA 0.137 4.687 4.550 0.001 0.000 0.270 197 Y C 0.942 176.936 175.900 0.157 0.000 1.134 197 Y CA -0.002 58.184 58.100 0.144 0.000 1.293 197 Y CB 0.007 38.529 38.460 0.104 0.000 1.063 197 Y HN 0.477 nan 8.280 nan 0.000 0.534 198 N N 1.563 120.436 118.700 0.289 0.000 2.727 198 N HA -0.316 4.424 4.740 0.001 0.000 0.249 198 N C -0.388 175.214 175.510 0.154 0.000 1.048 198 N CA 0.911 54.111 53.050 0.249 0.000 0.714 198 N CB -0.939 37.761 38.487 0.355 0.000 0.959 198 N HN 0.431 nan 8.380 nan 0.000 0.544 199 Q N -4.732 115.132 119.800 0.106 0.000 2.460 199 Q HA -0.221 4.119 4.340 0.001 0.000 0.248 199 Q C 1.125 177.153 176.000 0.046 0.000 0.847 199 Q CA 0.861 56.675 55.803 0.017 0.000 1.214 199 Q CB -1.802 26.898 28.738 -0.063 0.000 1.523 199 Q HN 0.681 nan 8.270 nan 0.000 0.602 200 G N -0.115 108.765 108.800 0.134 0.000 2.880 200 G HA2 0.262 4.223 3.960 0.001 0.000 0.209 200 G HA3 0.262 4.223 3.960 0.001 0.000 0.209 200 G C 0.442 175.388 174.900 0.077 0.000 1.157 200 G CA -0.170 45.022 45.100 0.153 0.000 0.779 200 G HN 0.144 nan 8.290 nan 0.000 0.539 201 L N 1.468 122.661 121.223 -0.050 0.000 2.264 201 L HA 0.302 4.643 4.340 0.001 0.000 0.289 201 L C 0.358 177.193 176.870 -0.059 0.000 1.044 201 L CA -1.048 53.722 54.840 -0.116 0.000 0.807 201 L CB 1.108 42.969 42.059 -0.329 0.000 1.192 201 L HN 0.146 nan 8.230 nan 0.000 0.425 202 H N 3.956 122.962 119.070 -0.107 0.000 2.815 202 H HA -0.023 4.533 4.556 0.001 0.000 0.350 202 H C 1.108 176.338 175.328 -0.163 0.000 1.080 202 H CA 0.179 56.141 56.048 -0.144 0.000 1.433 202 H CB 0.964 30.610 29.762 -0.193 0.000 1.432 202 H HN 0.704 nan 8.280 nan 0.000 0.592 203 H N 2.858 121.723 119.070 -0.342 0.000 2.457 203 H HA -0.141 4.415 4.556 0.001 0.000 0.297 203 H C 0.700 176.044 175.328 0.026 0.000 1.092 203 H CA 1.023 56.978 56.048 -0.155 0.000 1.309 203 H CB 0.016 29.652 29.762 -0.209 0.000 1.382 203 H HN 0.534 nan 8.280 nan 0.000 0.535 204 D N 1.215 121.644 120.400 0.048 0.000 2.182 204 D HA -0.114 4.526 4.640 0.001 0.000 0.201 204 D C 2.174 178.476 176.300 0.003 0.000 0.986 204 D CA 2.022 56.051 54.000 0.049 0.000 0.847 204 D CB 0.037 40.821 40.800 -0.027 0.000 0.942 204 D HN 0.557 nan 8.370 nan 0.000 0.467 205 V N -3.855 116.049 119.914 -0.016 0.000 3.502 205 V HA 0.512 4.632 4.120 0.001 0.000 0.288 205 V C 1.835 177.868 176.094 -0.102 0.000 1.461 205 V CA 0.464 62.723 62.300 -0.068 0.000 1.029 205 V CB 0.300 32.068 31.823 -0.092 0.000 0.843 205 V HN 0.019 nan 8.190 nan 0.000 0.438 206 A N 1.505 124.269 122.820 -0.092 0.000 1.883 206 A HA -0.141 4.179 4.320 0.001 0.000 0.217 206 A C 2.056 179.563 177.584 -0.129 0.000 1.186 206 A CA 2.394 54.342 52.037 -0.148 0.000 0.624 206 A CB -0.618 18.304 19.000 -0.130 0.000 0.822 206 A HN 0.615 nan 8.150 nan 0.000 0.444 207 L N -0.175 121.002 121.223 -0.077 0.000 2.012 207 L HA -0.107 4.233 4.340 0.001 0.000 0.210 207 L C 2.698 179.535 176.870 -0.055 0.000 1.073 207 L CA 2.362 57.170 54.840 -0.054 0.000 0.748 207 L CB -0.910 41.129 42.059 -0.033 0.000 0.891 207 L HN 0.363 nan 8.230 nan 0.000 0.431 208 A N -0.407 122.371 122.820 -0.070 0.000 1.908 208 A HA -0.226 4.094 4.320 0.001 0.000 0.218 208 A C 2.420 179.943 177.584 -0.101 0.000 1.181 208 A CA 1.960 53.952 52.037 -0.075 0.000 0.627 208 A CB -0.546 18.400 19.000 -0.090 0.000 0.818 208 A HN 0.537 nan 8.150 nan 0.000 0.445 209 R N -0.861 119.536 120.500 -0.171 0.000 2.090 209 R HA -0.016 4.324 4.340 0.001 0.000 0.228 209 R C 2.060 178.383 176.300 0.040 0.000 1.110 209 R CA 1.239 57.213 56.100 -0.210 0.000 0.973 209 R CB -0.603 29.506 30.300 -0.318 0.000 0.869 209 R HN 0.398 nan 8.270 nan 0.000 0.440 210 V N 1.254 121.166 119.914 -0.003 0.000 2.332 210 V HA -0.270 3.850 4.120 0.001 0.000 0.248 210 V C 2.491 178.642 176.094 0.094 0.000 1.055 210 V CA 1.825 64.177 62.300 0.087 0.000 1.038 210 V CB -0.543 31.294 31.823 0.023 0.000 0.651 210 V HN 0.289 nan 8.190 nan 0.000 0.450 211 R N -0.222 120.305 120.500 0.045 0.000 2.081 211 R HA -0.180 4.160 4.340 0.001 0.000 0.235 211 R C 2.087 178.421 176.300 0.055 0.000 1.131 211 R CA 1.911 58.033 56.100 0.037 0.000 0.960 211 R CB -0.307 29.999 30.300 0.010 0.000 0.856 211 R HN 0.504 nan 8.270 nan 0.000 0.436 212 D N -0.288 120.169 120.400 0.095 0.000 2.084 212 D HA -0.161 4.479 4.640 0.001 0.000 0.194 212 D C 1.884 178.282 176.300 0.164 0.000 0.990 212 D CA 1.841 55.929 54.000 0.148 0.000 0.826 212 D CB -0.253 40.745 40.800 0.329 0.000 0.971 212 D HN 0.251 nan 8.370 nan 0.000 0.453 213 V N -0.792 119.274 119.914 0.253 0.000 2.759 213 V HA -0.016 4.105 4.120 0.001 0.000 0.256 213 V C 2.118 178.328 176.094 0.194 0.000 1.080 213 V CA 1.636 64.099 62.300 0.272 0.000 1.101 213 V CB -0.934 31.051 31.823 0.269 0.000 0.698 213 V HN 0.114 nan 8.190 nan 0.000 0.477 214 A N 1.783 124.675 122.820 0.119 0.000 2.070 214 A HA -0.129 4.191 4.320 0.001 0.000 0.220 214 A C 2.446 180.031 177.584 0.002 0.000 1.159 214 A CA 2.191 54.269 52.037 0.069 0.000 0.656 214 A CB -1.264 17.767 19.000 0.051 0.000 0.800 214 A HN 0.846 nan 8.150 nan 0.000 0.453 215 T N -3.566 110.938 114.554 -0.084 0.000 2.977 215 T HA -0.076 4.274 4.350 0.001 0.000 0.271 215 T C 1.129 175.611 174.700 -0.363 0.000 1.105 215 T CA 1.091 63.040 62.100 -0.252 0.000 1.116 215 T CB -0.645 67.991 68.868 -0.386 0.000 0.878 215 T HN 0.370 nan 8.240 nan 0.000 0.509 216 F N 1.695 121.637 119.950 -0.013 0.000 2.732 216 F HA 0.392 4.919 4.527 0.001 0.000 0.303 216 F C 0.826 176.609 175.800 -0.028 0.000 1.110 216 F CA -0.756 57.228 58.000 -0.028 0.000 1.355 216 F CB -0.248 38.724 39.000 -0.046 0.000 1.081 216 F HN -0.025 nan 8.300 nan 0.000 0.565 217 K N 0.661 121.112 120.400 0.084 0.000 3.540 217 K HA -0.195 4.125 4.320 0.001 0.000 0.274 217 K C -2.494 174.129 176.600 0.038 0.000 0.890 217 K CA -0.180 56.136 56.287 0.048 0.000 0.701 217 K CB -1.692 30.824 32.500 0.026 0.000 1.523 217 K HN 0.210 nan 8.250 nan 0.000 0.450 218 P HA -0.056 nan 4.420 nan 0.000 0.269 218 P C 0.815 178.074 177.300 -0.068 0.000 1.217 218 P CA 0.147 63.222 63.100 -0.041 0.000 0.783 218 P CB 0.611 32.280 31.700 -0.052 0.000 0.898 219 T N 0.881 115.334 114.554 -0.168 0.000 2.746 219 T HA 0.007 4.357 4.350 0.001 0.000 0.267 219 T C 0.694 175.357 174.700 -0.060 0.000 1.039 219 T CA 1.520 63.526 62.100 -0.157 0.000 1.142 219 T CB -0.578 68.132 68.868 -0.263 0.000 0.866 219 T HN 0.650 nan 8.240 nan 0.000 0.444 220 F N -1.327 118.581 119.950 -0.071 0.000 2.662 220 F HA 0.704 5.231 4.527 0.001 0.000 0.312 220 F C -1.595 174.178 175.800 -0.045 0.000 1.113 220 F CA -1.863 56.101 58.000 -0.059 0.000 0.951 220 F CB 1.218 40.163 39.000 -0.092 0.000 1.344 220 F HN -0.271 nan 8.300 nan 0.000 0.462 221 I N 1.681 122.446 120.570 0.325 0.000 2.355 221 I HA 0.293 4.464 4.170 0.001 0.000 0.288 221 I C -0.716 175.563 176.117 0.271 0.000 0.999 221 I CA -0.461 60.998 61.300 0.265 0.000 1.163 221 I CB 1.791 39.922 38.000 0.218 0.000 1.316 221 I HN 0.723 nan 8.210 nan 0.000 0.454 222 E N 5.797 126.166 120.200 0.281 0.000 2.197 222 E HA 0.158 4.508 4.350 0.001 0.000 0.281 222 E C -0.324 176.381 176.600 0.174 0.000 0.995 222 E CA -0.716 55.779 56.400 0.159 0.000 0.808 222 E CB 0.934 30.727 29.700 0.156 0.000 1.093 222 E HN 0.454 nan 8.360 nan 0.000 0.394 223 Q N 3.918 123.774 119.800 0.093 0.000 2.410 223 Q HA -0.167 4.173 4.340 0.001 0.000 0.369 223 Q C -1.970 174.097 176.000 0.111 0.000 1.342 223 Q CA 0.567 56.411 55.803 0.069 0.000 1.133 223 Q CB -0.185 28.580 28.738 0.045 0.000 1.288 223 Q HN 0.498 nan 8.270 nan 0.000 0.320 224 P HA -0.097 nan 4.420 nan 0.000 0.219 224 P C 0.437 177.671 177.300 -0.110 0.000 1.150 224 P CA 1.568 64.635 63.100 -0.055 0.000 0.814 224 P CB 0.090 31.701 31.700 -0.148 0.000 0.787 225 V N -4.498 115.361 119.914 -0.092 0.000 3.158 225 V HA 0.488 4.608 4.120 0.001 0.000 0.315 225 V C 0.191 176.198 176.094 -0.145 0.000 1.148 225 V CA -1.773 60.452 62.300 -0.125 0.000 1.042 225 V CB 1.276 33.014 31.823 -0.143 0.000 1.101 225 V HN -0.263 nan 8.190 nan 0.000 0.448 226 K N 0.561 120.839 120.400 -0.204 0.000 2.469 226 K HA 0.269 4.589 4.320 0.001 0.000 0.274 226 K C 1.505 177.933 176.600 -0.287 0.000 0.983 226 K CA 0.483 56.625 56.287 -0.241 0.000 0.974 226 K CB 0.993 33.304 32.500 -0.315 0.000 0.913 226 K HN 0.928 nan 8.250 nan 0.000 0.493 227 A N 2.884 125.591 122.820 -0.187 0.000 1.948 227 A HA -0.221 4.100 4.320 0.001 0.000 0.220 227 A C 1.812 179.314 177.584 -0.137 0.000 1.177 227 A CA 1.882 53.839 52.037 -0.134 0.000 0.636 227 A CB -0.849 18.107 19.000 -0.073 0.000 0.815 227 A HN 0.935 nan 8.150 nan 0.000 0.449 228 H N -1.272 117.731 119.070 -0.112 0.000 2.555 228 H HA 0.196 4.752 4.556 0.001 0.000 0.269 228 H C 0.567 175.821 175.328 -0.123 0.000 0.988 228 H CA 0.402 56.380 56.048 -0.117 0.000 1.178 228 H CB -0.474 29.231 29.762 -0.095 0.000 1.373 228 H HN 0.405 nan 8.280 nan 0.000 0.588 229 L N 2.157 123.103 121.223 -0.463 0.000 2.727 229 L HA 0.219 4.559 4.340 0.001 0.000 0.237 229 L C 1.496 178.248 176.870 -0.196 0.000 1.370 229 L CA -0.170 54.475 54.840 -0.326 0.000 1.248 229 L CB 0.103 41.926 42.059 -0.392 0.000 1.556 229 L HN 0.116 nan 8.230 nan 0.000 0.420 230 R N 0.365 120.767 120.500 -0.163 0.000 2.115 230 R HA -0.045 4.295 4.340 0.001 0.000 0.226 230 R C 2.297 178.548 176.300 -0.080 0.000 1.100 230 R CA 1.050 57.061 56.100 -0.149 0.000 0.980 230 R CB -0.110 30.028 30.300 -0.270 0.000 0.875 230 R HN 0.618 nan 8.270 nan 0.000 0.445 231 G N 1.404 110.168 108.800 -0.059 0.000 2.418 231 G HA2 -0.257 3.703 3.960 0.001 0.000 0.217 231 G HA3 -0.257 3.703 3.960 0.001 0.000 0.217 231 G C 1.303 176.175 174.900 -0.046 0.000 1.158 231 G CA 0.382 45.462 45.100 -0.033 0.000 0.771 231 G HN 0.168 nan 8.290 nan 0.000 0.545 232 L N 0.334 121.513 121.223 -0.073 0.000 2.056 232 L HA 0.072 4.412 4.340 0.001 0.000 0.207 232 L C 2.721 179.555 176.870 -0.061 0.000 1.078 232 L CA 1.435 56.232 54.840 -0.071 0.000 0.749 232 L CB -0.374 41.626 42.059 -0.098 0.000 0.901 232 L HN 0.084 nan 8.230 nan 0.000 0.433 233 M N -0.463 119.093 119.600 -0.072 0.000 2.082 233 M HA -0.242 4.238 4.480 0.001 0.000 0.258 233 M C 2.396 178.678 176.300 -0.030 0.000 1.069 233 M CA 2.040 57.307 55.300 -0.054 0.000 1.102 233 M CB -1.558 31.004 32.600 -0.064 0.000 1.336 233 M HN 0.469 nan 8.290 nan 0.000 0.404 234 A N -0.094 122.712 122.820 -0.024 0.000 1.933 234 A HA -0.180 4.140 4.320 0.001 0.000 0.218 234 A C 2.282 179.861 177.584 -0.008 0.000 1.175 234 A CA 1.600 53.633 52.037 -0.007 0.000 0.628 234 A CB -0.614 18.388 19.000 0.004 0.000 0.814 234 A HN 0.481 nan 8.150 nan 0.000 0.444 235 R N -0.698 119.793 120.500 -0.015 0.000 2.081 235 R HA -0.046 4.295 4.340 0.001 0.000 0.235 235 R C 1.968 178.261 176.300 -0.011 0.000 1.131 235 R CA 1.603 57.696 56.100 -0.013 0.000 0.960 235 R CB -0.468 29.822 30.300 -0.018 0.000 0.856 235 R HN 0.584 nan 8.270 nan 0.000 0.436 236 I N 0.250 120.811 120.570 -0.015 0.000 2.315 236 I HA -0.254 3.917 4.170 0.001 0.000 0.248 236 I C 2.776 178.894 176.117 0.001 0.000 1.117 236 I CA 0.966 62.259 61.300 -0.010 0.000 1.404 236 I CB -0.283 37.706 38.000 -0.018 0.000 1.071 236 I HN 0.147 nan 8.210 nan 0.000 0.419 237 R N 1.116 121.617 120.500 0.002 0.000 2.096 237 R HA -0.221 4.119 4.340 0.001 0.000 0.240 237 R C 1.420 177.726 176.300 0.010 0.000 1.139 237 R CA 2.175 58.281 56.100 0.009 0.000 0.952 237 R CB -0.196 30.108 30.300 0.007 0.000 0.854 237 R HN 0.307 nan 8.270 nan 0.000 0.436 238 D N -0.585 119.818 120.400 0.006 0.000 2.347 238 D HA 0.010 4.650 4.640 0.001 0.000 0.213 238 D C 1.194 177.497 176.300 0.005 0.000 0.985 238 D CA 0.897 54.901 54.000 0.006 0.000 0.879 238 D CB 0.418 41.220 40.800 0.004 0.000 0.919 238 D HN 0.386 nan 8.370 nan 0.000 0.526 239 A N -0.031 122.791 122.820 0.004 0.000 2.095 239 A HA 0.192 4.513 4.320 0.001 0.000 0.212 239 A C 0.930 178.517 177.584 0.006 0.000 1.162 239 A CA 0.239 52.278 52.037 0.002 0.000 0.753 239 A CB 0.628 19.627 19.000 -0.002 0.000 0.840 239 A HN 0.045 nan 8.150 nan 0.000 0.468 240 V N 0.599 120.519 119.914 0.011 0.000 2.604 240 V HA 0.229 4.349 4.120 0.001 0.000 0.305 240 V C 0.023 176.129 176.094 0.020 0.000 1.043 240 V CA -0.632 61.678 62.300 0.017 0.000 0.888 240 V CB 1.805 33.643 31.823 0.026 0.000 0.995 240 V HN 0.325 nan 8.190 nan 0.000 0.429 241 D N 1.635 122.046 120.400 0.017 0.000 2.178 241 D HA -0.048 4.593 4.640 0.001 0.000 0.202 241 D C 0.926 177.243 176.300 0.028 0.000 0.974 241 D CA 1.019 55.030 54.000 0.018 0.000 0.841 241 D CB 0.276 41.083 40.800 0.011 0.000 0.953 241 D HN 0.316 nan 8.370 nan 0.000 0.478 242 V N 2.907 122.842 119.914 0.036 0.000 2.599 242 V HA 0.011 4.131 4.120 0.001 0.000 0.300 242 V C -1.943 174.191 176.094 0.066 0.000 1.034 242 V CA -1.001 61.329 62.300 0.051 0.000 1.115 242 V CB 0.707 32.566 31.823 0.059 0.000 0.934 242 V HN -0.017 nan 8.190 nan 0.000 0.485 243 P HA 0.061 nan 4.420 nan 0.000 0.264 243 P C -0.646 176.716 177.300 0.103 0.000 1.183 243 P CA -0.096 63.056 63.100 0.086 0.000 0.763 243 P CB 0.369 32.138 31.700 0.115 0.000 0.807 244 L N 5.096 126.354 121.223 0.059 0.000 2.275 244 L HA 0.473 4.813 4.340 0.001 0.000 0.288 244 L C -0.959 175.899 176.870 -0.021 0.000 1.046 244 L CA -0.470 54.396 54.840 0.044 0.000 0.805 244 L CB 0.778 42.855 42.059 0.029 0.000 1.193 244 L HN 0.176 nan 8.230 nan 0.000 0.426 245 L N 5.053 126.232 121.223 -0.073 0.000 2.307 245 L HA 0.794 5.134 4.340 0.001 0.000 0.284 245 L C -0.192 176.612 176.870 -0.110 0.000 1.023 245 L CA -0.080 54.632 54.840 -0.214 0.000 0.810 245 L CB 1.545 43.224 42.059 -0.634 0.000 1.231 245 L HN 0.790 nan 8.230 nan 0.000 0.423 246 A N 3.042 125.815 122.820 -0.078 0.000 2.331 246 A HA 0.489 4.809 4.320 0.001 0.000 0.283 246 A C -0.222 177.354 177.584 -0.014 0.000 1.142 246 A CA -0.281 51.738 52.037 -0.030 0.000 0.812 246 A CB 0.717 19.713 19.000 -0.006 0.000 1.074 246 A HN 0.820 nan 8.150 nan 0.000 0.497 247 D N 0.534 120.943 120.400 0.014 0.000 3.040 247 D HA 0.043 4.683 4.640 0.001 0.000 0.221 247 D C 1.297 177.632 176.300 0.058 0.000 1.515 247 D CA 0.479 54.517 54.000 0.063 0.000 1.379 247 D CB -0.184 40.687 40.800 0.118 0.000 0.992 247 D HN 0.478 nan 8.370 nan 0.000 0.234 248 E N 0.060 120.230 120.200 -0.050 0.000 2.265 248 E HA -0.022 4.328 4.350 0.001 0.000 0.196 248 E C 1.933 178.595 176.600 0.104 0.000 0.996 248 E CA 0.814 57.134 56.400 -0.133 0.000 0.832 248 E CB -0.026 29.345 29.700 -0.549 0.000 0.756 248 E HN 0.050 nan 8.360 nan 0.000 0.491 249 S N -0.140 115.580 115.700 0.033 0.000 2.474 249 S HA 0.028 4.498 4.470 0.001 0.000 0.235 249 S C 0.600 175.265 174.600 0.109 0.000 0.997 249 S CA 0.607 58.819 58.200 0.021 0.000 0.949 249 S CB 0.114 63.278 63.200 -0.060 0.000 0.766 249 S HN 0.149 nan 8.310 nan 0.000 0.517 250 I N 0.308 120.993 120.570 0.193 0.000 2.468 250 I HA 0.278 4.449 4.170 0.001 0.000 0.284 250 I C -0.280 176.034 176.117 0.329 0.000 1.038 250 I CA -0.332 61.113 61.300 0.241 0.000 1.083 250 I CB 1.695 39.785 38.000 0.151 0.000 1.223 250 I HN 0.073 nan 8.210 nan 0.000 0.443 251 F N 3.295 123.318 119.950 0.121 0.000 2.208 251 F HA 0.337 4.864 4.527 0.001 0.000 0.282 251 F C 1.658 177.527 175.800 0.115 0.000 1.071 251 F CA 0.407 58.491 58.000 0.140 0.000 1.228 251 F CB 0.316 39.407 39.000 0.151 0.000 1.088 251 F HN 0.468 nan 8.300 nan 0.000 0.512 252 G N -1.437 107.556 108.800 0.321 0.000 3.211 252 G HA2 0.342 4.303 3.960 0.001 0.000 0.262 252 G HA3 0.342 4.303 3.960 0.001 0.000 0.262 252 G C -2.331 172.657 174.900 0.147 0.000 1.352 252 G CA -0.887 44.333 45.100 0.200 0.000 1.004 252 G HN -0.252 nan 8.290 nan 0.000 0.559 253 P HA -0.026 nan 4.420 nan 0.000 0.218 253 P C 1.228 178.572 177.300 0.073 0.000 1.148 253 P CA 1.175 64.324 63.100 0.082 0.000 0.822 253 P CB 0.331 32.071 31.700 0.067 0.000 0.784 254 E N -0.583 119.663 120.200 0.077 0.000 2.047 254 E HA -0.155 4.196 4.350 0.001 0.000 0.191 254 E C 1.734 178.373 176.600 0.065 0.000 0.987 254 E CA 1.161 57.594 56.400 0.055 0.000 0.799 254 E CB -0.899 28.829 29.700 0.048 0.000 0.752 254 E HN 0.238 nan 8.360 nan 0.000 0.449 255 D N -0.036 120.438 120.400 0.123 0.000 2.123 255 D HA -0.161 4.479 4.640 0.001 0.000 0.196 255 D C 1.834 178.241 176.300 0.177 0.000 0.992 255 D CA 0.969 55.090 54.000 0.201 0.000 0.833 255 D CB -0.198 40.754 40.800 0.252 0.000 0.954 255 D HN 0.087 nan 8.370 nan 0.000 0.455 256 M N 0.938 120.616 119.600 0.130 0.000 2.117 256 M HA -0.075 4.406 4.480 0.001 0.000 0.262 256 M C 1.918 178.250 176.300 0.053 0.000 1.065 256 M CA 1.348 56.707 55.300 0.099 0.000 1.114 256 M CB -0.423 32.226 32.600 0.082 0.000 1.361 256 M HN -0.003 nan 8.290 nan 0.000 0.408 257 A N -0.744 122.093 122.820 0.027 0.000 1.902 257 A HA -0.176 4.144 4.320 0.001 0.000 0.217 257 A C 2.104 179.648 177.584 -0.067 0.000 1.181 257 A CA 1.903 53.935 52.037 -0.009 0.000 0.623 257 A CB -0.820 18.177 19.000 -0.005 0.000 0.818 257 A HN 0.646 nan 8.150 nan 0.000 0.443 258 E N -1.110 119.007 120.200 -0.138 0.000 2.152 258 E HA -0.096 4.254 4.350 0.001 0.000 0.192 258 E C -0.020 176.231 176.600 -0.581 0.000 0.983 258 E CA 0.689 56.865 56.400 -0.373 0.000 0.818 258 E CB -0.024 29.352 29.700 -0.541 0.000 0.758 258 E HN 0.681 nan 8.360 nan 0.000 0.467 259 H N -0.432 118.653 119.070 0.025 0.000 2.386 259 H HA 0.148 4.704 4.556 0.001 0.000 0.232 259 H C -1.860 173.480 175.328 0.020 0.000 1.416 259 H CA -1.581 54.479 56.048 0.021 0.000 1.285 259 H CB 0.735 30.513 29.762 0.026 0.000 1.625 259 H HN 0.168 nan 8.280 nan 0.000 0.521 260 P HA -0.059 nan 4.420 nan 0.000 0.225 260 P C 0.726 178.055 177.300 0.049 0.000 1.156 260 P CA 0.988 64.117 63.100 0.048 0.000 0.787 260 P CB 0.802 32.514 31.700 0.020 0.000 0.802 261 E N -0.453 119.780 120.200 0.056 0.000 2.693 261 E HA 0.143 4.493 4.350 0.001 0.000 0.214 261 E C 1.587 178.210 176.600 0.040 0.000 0.990 261 E CA -0.137 56.287 56.400 0.040 0.000 1.047 261 E CB 0.049 29.767 29.700 0.031 0.000 1.039 261 E HN 0.434 nan 8.360 nan 0.000 0.475 262 I N -2.593 118.009 120.570 0.052 0.000 3.111 262 I HA 0.272 4.442 4.170 0.001 0.000 0.272 262 I C 0.852 176.975 176.117 0.010 0.000 1.268 262 I CA 0.139 61.456 61.300 0.028 0.000 1.467 262 I CB 0.223 38.234 38.000 0.018 0.000 1.087 262 I HN -0.135 nan 8.210 nan 0.000 0.467 263 A N 0.577 123.406 122.820 0.014 0.000 2.581 263 A HA 0.401 4.721 4.320 0.001 0.000 0.290 263 A C -0.408 177.179 177.584 0.005 0.000 1.119 263 A CA -0.491 51.547 52.037 0.003 0.000 0.670 263 A CB 0.636 19.629 19.000 -0.011 0.000 1.280 263 A HN 0.128 nan 8.150 nan 0.000 0.425 264 D N -0.099 120.301 120.400 0.000 0.000 2.348 264 D HA 0.322 4.963 4.640 0.001 0.000 0.211 264 D C 0.777 177.073 176.300 -0.007 0.000 0.998 264 D CA 1.707 55.710 54.000 0.005 0.000 0.873 264 D CB 0.766 41.575 40.800 0.017 0.000 0.925 264 D HN 0.903 nan 8.370 nan 0.000 0.524 265 G N -0.075 108.705 108.800 -0.034 0.000 2.495 265 G HA2 0.449 4.410 3.960 0.001 0.000 0.294 265 G HA3 0.449 4.410 3.960 0.001 0.000 0.294 265 G C -1.586 173.269 174.900 -0.074 0.000 1.397 265 G CA -0.413 44.656 45.100 -0.051 0.000 0.790 265 G HN 0.055 nan 8.290 nan 0.000 0.486 266 V N -2.482 117.396 119.914 -0.060 0.000 2.841 266 V HA 0.863 4.984 4.120 0.001 0.000 0.310 266 V C 0.020 176.101 176.094 -0.021 0.000 1.090 266 V CA -0.599 61.680 62.300 -0.036 0.000 0.930 266 V CB 1.445 33.275 31.823 0.012 0.000 1.014 266 V HN 1.275 nan 8.190 nan 0.000 0.425 267 S N 4.892 120.592 115.700 -0.001 0.000 2.474 267 S HA 0.572 5.042 4.470 0.001 0.000 0.276 267 S C -0.214 174.405 174.600 0.032 0.000 1.227 267 S CA -0.622 57.623 58.200 0.075 0.000 1.050 267 S CB -0.150 63.127 63.200 0.129 0.000 0.939 267 S HN 0.614 nan 8.310 nan 0.000 0.490 268 I N 5.870 126.440 120.570 -0.000 0.000 2.304 268 I HA 0.394 4.564 4.170 0.001 0.000 0.291 268 I C 0.128 176.233 176.117 -0.021 0.000 1.018 268 I CA -0.218 61.079 61.300 -0.005 0.000 1.260 268 I CB 0.810 38.807 38.000 -0.004 0.000 1.390 268 I HN 0.634 nan 8.210 nan 0.000 0.475 269 K N 6.537 126.929 120.400 -0.013 0.000 2.471 269 K HA 0.407 4.728 4.320 0.001 0.000 0.252 269 K C 1.156 177.754 176.600 -0.004 0.000 0.938 269 K CA -0.594 55.682 56.287 -0.018 0.000 0.796 269 K CB 2.890 35.345 32.500 -0.075 0.000 1.161 269 K HN 0.548 nan 8.250 nan 0.000 0.425 270 I N -0.710 119.876 120.570 0.027 0.000 2.454 270 I HA -0.201 3.969 4.170 0.001 0.000 0.254 270 I C 1.225 177.359 176.117 0.029 0.000 1.156 270 I CA 1.147 62.472 61.300 0.041 0.000 1.433 270 I CB -0.110 37.922 38.000 0.053 0.000 1.082 270 I HN 0.499 nan 8.210 nan 0.000 0.432 271 M N 1.254 120.845 119.600 -0.015 0.000 2.419 271 M HA -0.011 4.469 4.480 0.001 0.000 0.264 271 M C 1.987 178.272 176.300 -0.026 0.000 1.082 271 M CA 1.397 56.685 55.300 -0.020 0.000 1.119 271 M CB -0.849 31.708 32.600 -0.071 0.000 1.398 271 M HN 0.361 nan 8.290 nan 0.000 0.453 272 K N 0.003 120.334 120.400 -0.116 0.000 2.128 272 K HA 0.015 4.335 4.320 0.001 0.000 0.202 272 K C 2.040 178.717 176.600 0.127 0.000 1.050 272 K CA 1.429 57.587 56.287 -0.215 0.000 0.966 272 K CB -0.030 32.126 32.500 -0.574 0.000 0.759 272 K HN 0.328 nan 8.250 nan 0.000 0.454 273 S N -0.154 115.599 115.700 0.089 0.000 2.522 273 S HA 0.036 4.506 4.470 0.001 0.000 0.227 273 S C 1.409 176.098 174.600 0.148 0.000 0.986 273 S CA 0.620 58.902 58.200 0.138 0.000 0.929 273 S CB 0.017 63.277 63.200 0.100 0.000 0.769 273 S HN 0.437 nan 8.310 nan 0.000 0.529 274 G N -0.041 108.844 108.800 0.141 0.000 2.147 274 G HA2 0.268 4.228 3.960 0.001 0.000 0.244 274 G HA3 0.268 4.228 3.960 0.001 0.000 0.244 274 G C 0.552 175.530 174.900 0.130 0.000 1.005 274 G CA -0.139 45.043 45.100 0.138 0.000 0.713 274 G HN 1.799 nan 8.290 nan 0.000 0.515 275 G N -2.560 106.316 108.800 0.126 0.000 2.368 275 G HA2 0.414 4.374 3.960 0.001 0.000 0.302 275 G HA3 0.414 4.374 3.960 0.001 0.000 0.302 275 G C 0.260 175.248 174.900 0.148 0.000 1.329 275 G CA -0.011 45.181 45.100 0.153 0.000 0.935 275 G HN 0.867 nan 8.290 nan 0.000 0.590 276 L N 0.338 121.675 121.223 0.190 0.000 2.068 276 L HA 0.112 4.453 4.340 0.001 0.000 0.204 276 L C 3.243 180.174 176.870 0.102 0.000 1.076 276 L CA 2.907 57.815 54.840 0.113 0.000 0.753 276 L CB -1.065 41.000 42.059 0.011 0.000 0.910 276 L HN 0.749 nan 8.230 nan 0.000 0.439 277 T N -0.784 113.876 114.554 0.176 0.000 2.684 277 T HA -0.239 4.111 4.350 0.001 0.000 0.267 277 T C 2.075 176.835 174.700 0.100 0.000 1.036 277 T CA 1.505 63.686 62.100 0.135 0.000 1.148 277 T CB -0.294 68.674 68.868 0.168 0.000 0.863 277 T HN 0.223 nan 8.240 nan 0.000 0.436 278 R N 0.884 121.450 120.500 0.110 0.000 2.115 278 R HA 0.126 4.466 4.340 0.001 0.000 0.230 278 R C 2.851 179.202 176.300 0.085 0.000 1.111 278 R CA 1.037 57.194 56.100 0.095 0.000 0.976 278 R CB -0.448 29.915 30.300 0.105 0.000 0.870 278 R HN 0.407 nan 8.270 nan 0.000 0.445 279 A N 1.156 124.025 122.820 0.083 0.000 1.902 279 A HA -0.219 4.101 4.320 0.001 0.000 0.217 279 A C 2.013 179.631 177.584 0.057 0.000 1.181 279 A CA 1.193 53.271 52.037 0.068 0.000 0.623 279 A CB -0.357 18.682 19.000 0.065 0.000 0.818 279 A HN 0.322 nan 8.150 nan 0.000 0.443 280 Q N -0.799 119.034 119.800 0.055 0.000 2.061 280 Q HA -0.159 4.182 4.340 0.001 0.000 0.204 280 Q C 2.208 178.235 176.000 0.045 0.000 0.984 280 Q CA 2.027 57.857 55.803 0.045 0.000 0.846 280 Q CB -0.585 28.177 28.738 0.041 0.000 0.902 280 Q HN 0.678 nan 8.270 nan 0.000 0.421 281 T N 0.921 115.506 114.554 0.052 0.000 2.684 281 T HA -0.136 4.215 4.350 0.001 0.000 0.267 281 T C 2.103 176.833 174.700 0.049 0.000 1.036 281 T CA 1.464 63.594 62.100 0.049 0.000 1.148 281 T CB -0.352 68.548 68.868 0.053 0.000 0.863 281 T HN 0.059 nan 8.240 nan 0.000 0.436 282 V N 1.895 121.843 119.914 0.057 0.000 2.287 282 V HA -0.226 3.894 4.120 0.001 0.000 0.248 282 V C 2.924 179.046 176.094 0.046 0.000 1.053 282 V CA 1.832 64.166 62.300 0.057 0.000 1.027 282 V CB -1.330 30.533 31.823 0.067 0.000 0.646 282 V HN 0.557 nan 8.190 nan 0.000 0.447 283 A N -0.056 122.788 122.820 0.041 0.000 1.902 283 A HA -0.238 4.082 4.320 0.001 0.000 0.217 283 A C 2.371 179.974 177.584 0.031 0.000 1.181 283 A CA 1.996 54.053 52.037 0.033 0.000 0.623 283 A CB -0.488 18.529 19.000 0.029 0.000 0.818 283 A HN 0.539 nan 8.150 nan 0.000 0.443 284 R N -1.095 119.424 120.500 0.032 0.000 2.092 284 R HA 0.009 4.350 4.340 0.001 0.000 0.231 284 R C 2.261 178.578 176.300 0.028 0.000 1.119 284 R CA 1.638 57.755 56.100 0.028 0.000 0.970 284 R CB -0.359 29.958 30.300 0.029 0.000 0.864 284 R HN 0.544 nan 8.270 nan 0.000 0.440 285 M N -0.062 119.557 119.600 0.032 0.000 2.132 285 M HA -0.100 4.381 4.480 0.001 0.000 0.263 285 M C 2.500 178.818 176.300 0.029 0.000 1.065 285 M CA 1.659 56.977 55.300 0.031 0.000 1.122 285 M CB -0.271 32.351 32.600 0.036 0.000 1.365 285 M HN 0.256 nan 8.290 nan 0.000 0.411 286 A N 0.559 123.397 122.820 0.031 0.000 1.858 286 A HA -0.090 4.230 4.320 0.001 0.000 0.216 286 A C 2.371 179.969 177.584 0.024 0.000 1.190 286 A CA 2.036 54.090 52.037 0.028 0.000 0.617 286 A CB -1.069 17.948 19.000 0.028 0.000 0.827 286 A HN 0.492 nan 8.150 nan 0.000 0.443 287 A N -0.298 122.536 122.820 0.024 0.000 1.972 287 A HA 0.174 4.494 4.320 0.001 0.000 0.219 287 A C 2.417 180.012 177.584 0.019 0.000 1.169 287 A CA 1.928 53.978 52.037 0.021 0.000 0.635 287 A CB -0.905 18.107 19.000 0.021 0.000 0.810 287 A HN 1.124 nan 8.150 nan 0.000 0.446 288 A N -0.642 122.189 122.820 0.019 0.000 2.019 288 A HA -0.109 4.212 4.320 0.001 0.000 0.219 288 A C 2.109 179.703 177.584 0.016 0.000 1.164 288 A CA 1.451 53.498 52.037 0.017 0.000 0.644 288 A CB -0.273 18.737 19.000 0.018 0.000 0.805 288 A HN 0.516 nan 8.150 nan 0.000 0.449 289 R N -2.026 118.485 120.500 0.017 0.000 2.472 289 R HA 0.281 4.621 4.340 0.001 0.000 0.279 289 R C 0.838 177.148 176.300 0.016 0.000 0.953 289 R CA 0.473 56.582 56.100 0.016 0.000 1.088 289 R CB 0.366 30.676 30.300 0.017 0.000 1.197 289 R HN 0.625 nan 8.270 nan 0.000 0.536 290 G N 1.557 110.367 108.800 0.017 0.000 2.149 290 G HA2 -0.239 3.722 3.960 0.001 0.000 0.235 290 G HA3 -0.239 3.722 3.960 0.001 0.000 0.235 290 G C -0.102 174.809 174.900 0.019 0.000 1.018 290 G CA -0.249 44.861 45.100 0.017 0.000 0.728 290 G HN 0.126 nan 8.290 nan 0.000 0.508 291 L N 0.764 121.998 121.223 0.019 0.000 2.343 291 L HA 0.583 4.924 4.340 0.001 0.000 0.275 291 L C 0.929 177.810 176.870 0.018 0.000 1.056 291 L CA -0.774 54.076 54.840 0.017 0.000 0.804 291 L CB 1.625 43.694 42.059 0.017 0.000 1.203 291 L HN 0.169 nan 8.230 nan 0.000 0.440 292 S N 1.086 116.795 115.700 0.015 0.000 2.632 292 S HA 0.671 5.141 4.470 0.001 0.000 0.267 292 S C -0.087 174.524 174.600 0.019 0.000 1.276 292 S CA -0.617 57.597 58.200 0.023 0.000 0.998 292 S CB 1.600 64.819 63.200 0.032 0.000 0.953 292 S HN 0.703 nan 8.310 nan 0.000 0.547 293 A N 1.376 124.221 122.820 0.042 0.000 2.393 293 A HA 0.692 5.012 4.320 0.001 0.000 0.306 293 A C -1.593 176.055 177.584 0.108 0.000 1.050 293 A CA -0.537 51.530 52.037 0.049 0.000 0.724 293 A CB 0.948 19.969 19.000 0.034 0.000 1.248 293 A HN 0.756 nan 8.150 nan 0.000 0.424 294 Y N 1.066 121.330 120.300 -0.060 0.000 2.462 294 Y HA 0.598 5.149 4.550 0.001 0.000 0.346 294 Y C 0.448 176.313 175.900 -0.059 0.000 0.976 294 Y CA -0.634 57.439 58.100 -0.045 0.000 1.044 294 Y CB 1.961 40.379 38.460 -0.070 0.000 1.230 294 Y HN 0.809 nan 8.280 nan 0.000 0.455 295 G N 3.610 111.951 108.800 -0.765 0.000 2.770 295 G HA2 0.430 4.390 3.960 0.001 0.000 0.307 295 G HA3 0.430 4.390 3.960 0.001 0.000 0.307 295 G C 0.235 174.510 174.900 -1.042 0.000 0.863 295 G CA 0.054 44.719 45.100 -0.726 0.000 1.595 295 G HN 0.997 nan 8.290 nan 0.000 0.496 296 G N 1.421 109.843 108.800 -0.630 0.000 2.616 296 G HA2 0.541 4.501 3.960 0.001 0.000 0.268 296 G HA3 0.541 4.501 3.960 0.001 0.000 0.268 296 G C -0.378 174.438 174.900 -0.140 0.000 1.213 296 G CA -0.113 44.790 45.100 -0.328 0.000 0.926 296 G HN 0.688 nan 8.290 nan 0.000 0.523 297 D N -1.872 118.486 120.400 -0.070 0.000 2.692 297 D HA 0.385 5.025 4.640 0.001 0.000 0.303 297 D C -0.207 175.989 176.300 -0.174 0.000 1.278 297 D CA -0.673 53.309 54.000 -0.030 0.000 0.852 297 D CB 0.664 41.547 40.800 0.138 0.000 1.375 297 D HN 0.195 nan 8.370 nan 0.000 0.453 298 M N -0.830 118.642 119.600 -0.213 0.000 2.734 298 M HA 0.421 4.901 4.480 0.001 0.000 0.264 298 M C -0.048 175.977 176.300 -0.457 0.000 1.080 298 M CA -0.663 54.426 55.300 -0.351 0.000 0.981 298 M CB -0.251 32.221 32.600 -0.214 0.000 1.514 298 M HN 0.373 nan 8.290 nan 0.000 0.569 299 F N 1.329 121.163 119.950 -0.193 0.000 2.619 299 F HA 0.181 4.708 4.527 0.001 0.000 0.350 299 F C 0.506 176.235 175.800 -0.118 0.000 1.259 299 F CA -0.050 57.850 58.000 -0.166 0.000 1.204 299 F CB -0.385 38.496 39.000 -0.198 0.000 1.556 299 F HN 0.346 nan 8.300 nan 0.000 0.650 300 E N 0.837 121.014 120.200 -0.037 0.000 2.232 300 E HA 0.771 5.122 4.350 0.001 0.000 0.264 300 E C -0.303 176.090 176.600 -0.345 0.000 0.973 300 E CA -1.019 55.289 56.400 -0.152 0.000 0.849 300 E CB 1.733 31.334 29.700 -0.165 0.000 1.198 300 E HN 0.464 nan 8.360 nan 0.000 0.407 301 A N 0.280 122.836 122.820 -0.439 0.000 2.420 301 A HA 0.592 4.912 4.320 0.001 0.000 0.291 301 A C 1.144 178.219 177.584 -0.849 0.000 1.228 301 A CA 0.077 51.794 52.037 -0.533 0.000 0.933 301 A CB 0.146 18.957 19.000 -0.314 0.000 1.428 301 A HN 0.713 nan 8.150 nan 0.000 0.493 302 G N -1.279 107.166 108.800 -0.592 0.000 2.448 302 G HA2 0.051 4.011 3.960 0.001 0.000 0.218 302 G HA3 0.051 4.011 3.960 0.001 0.000 0.218 302 G C 1.235 175.938 174.900 -0.328 0.000 1.135 302 G CA 1.163 45.937 45.100 -0.544 0.000 0.784 302 G HN 0.589 nan 8.290 nan 0.000 0.543 303 L N 1.571 122.639 121.223 -0.259 0.000 1.994 303 L HA 0.168 4.508 4.340 0.001 0.000 0.208 303 L C 3.018 179.789 176.870 -0.163 0.000 1.071 303 L CA 2.266 57.011 54.840 -0.158 0.000 0.745 303 L CB -0.925 41.049 42.059 -0.142 0.000 0.892 303 L HN 0.200 nan 8.230 nan 0.000 0.431 304 A N -1.189 121.494 122.820 -0.229 0.000 1.917 304 A HA -0.285 4.036 4.320 0.001 0.000 0.219 304 A C 2.177 179.586 177.584 -0.293 0.000 1.182 304 A CA 1.967 53.877 52.037 -0.210 0.000 0.633 304 A CB -1.075 17.805 19.000 -0.200 0.000 0.819 304 A HN 0.697 nan 8.150 nan 0.000 0.448 305 H N -0.133 118.595 119.070 -0.570 0.000 2.319 305 H HA -0.085 4.472 4.556 0.001 0.000 0.299 305 H C 2.048 177.008 175.328 -0.613 0.000 1.092 305 H CA 1.611 57.068 56.048 -0.986 0.000 1.302 305 H CB -0.727 28.226 29.762 -1.348 0.000 1.373 305 H HN 0.442 nan 8.280 nan 0.000 0.497 306 L N -0.129 121.079 121.223 -0.025 0.000 2.017 306 L HA -0.169 4.172 4.340 0.001 0.000 0.208 306 L C 2.814 179.783 176.870 0.164 0.000 1.073 306 L CA 1.058 56.025 54.840 0.211 0.000 0.745 306 L CB -0.606 41.596 42.059 0.239 0.000 0.894 306 L HN 0.256 nan 8.230 nan 0.000 0.432 307 A N 0.336 123.172 122.820 0.027 0.000 1.892 307 A HA -0.212 4.109 4.320 0.001 0.000 0.218 307 A C 2.379 179.981 177.584 0.030 0.000 1.188 307 A CA 2.079 54.135 52.037 0.032 0.000 0.631 307 A CB -1.401 17.599 19.000 -0.000 0.000 0.822 307 A HN 0.476 nan 8.150 nan 0.000 0.447 308 G N -1.039 107.686 108.800 -0.126 0.000 2.422 308 G HA2 0.078 4.039 3.960 0.001 0.000 0.218 308 G HA3 0.078 4.039 3.960 0.001 0.000 0.218 308 G C 1.683 176.687 174.900 0.173 0.000 1.140 308 G CA 1.323 46.403 45.100 -0.034 0.000 0.775 308 G HN 0.815 nan 8.290 nan 0.000 0.545 309 A N 0.187 123.056 122.820 0.082 0.000 1.898 309 A HA -0.034 4.286 4.320 0.001 0.000 0.216 309 A C 2.133 179.809 177.584 0.153 0.000 1.181 309 A CA 1.492 53.690 52.037 0.267 0.000 0.620 309 A CB -0.682 18.466 19.000 0.247 0.000 0.819 309 A HN 0.451 nan 8.150 nan 0.000 0.442 310 H N -1.534 117.627 119.070 0.151 0.000 2.357 310 H HA -0.106 4.450 4.556 0.001 0.000 0.301 310 H C 2.201 177.605 175.328 0.126 0.000 1.082 310 H CA 1.691 57.851 56.048 0.186 0.000 1.342 310 H CB -0.255 29.593 29.762 0.144 0.000 1.389 310 H HN 0.413 nan 8.280 nan 0.000 0.511 311 M N 1.139 120.853 119.600 0.190 0.000 2.073 311 M HA -0.183 4.298 4.480 0.001 0.000 0.258 311 M C 2.262 178.617 176.300 0.092 0.000 1.070 311 M CA 1.590 56.953 55.300 0.104 0.000 1.103 311 M CB -0.787 31.863 32.600 0.082 0.000 1.321 311 M HN 0.186 nan 8.290 nan 0.000 0.405 312 I N 0.381 121.018 120.570 0.112 0.000 2.361 312 I HA -0.243 3.927 4.170 0.001 0.000 0.251 312 I C 2.524 178.652 176.117 0.017 0.000 1.133 312 I CA 1.040 62.379 61.300 0.065 0.000 1.413 312 I CB -0.670 37.378 38.000 0.080 0.000 1.073 312 I HN 0.354 nan 8.210 nan 0.000 0.424 313 A N 0.631 123.454 122.820 0.004 0.000 1.972 313 A HA -0.060 4.260 4.320 0.001 0.000 0.219 313 A C 2.287 179.805 177.584 -0.110 0.000 1.169 313 A CA 1.768 53.740 52.037 -0.107 0.000 0.635 313 A CB -0.499 18.373 19.000 -0.214 0.000 0.810 313 A HN 0.433 nan 8.150 nan 0.000 0.446 314 A N -1.330 121.488 122.820 -0.004 0.000 2.345 314 A HA 0.394 4.714 4.320 0.001 0.000 0.225 314 A C 0.594 178.186 177.584 0.012 0.000 1.243 314 A CA 0.646 52.696 52.037 0.021 0.000 0.875 314 A CB -0.071 18.989 19.000 0.101 0.000 0.929 314 A HN 0.208 nan 8.150 nan 0.000 0.502 315 T N 1.238 115.795 114.554 0.004 0.000 3.064 315 T HA 0.341 4.692 4.350 0.001 0.000 0.367 315 T C -2.353 172.347 174.700 -0.000 0.000 1.202 315 T CA -0.970 61.136 62.100 0.010 0.000 1.133 315 T CB 1.591 70.471 68.868 0.021 0.000 1.074 315 T HN -0.007 nan 8.240 nan 0.000 0.519 316 P HA -0.079 nan 4.420 nan 0.000 0.218 316 P C 1.191 178.492 177.300 0.003 0.000 1.148 316 P CA 0.968 64.064 63.100 -0.007 0.000 0.822 316 P CB 0.303 32.000 31.700 -0.006 0.000 0.784 317 E N -0.664 119.542 120.200 0.010 0.000 2.265 317 E HA -0.054 4.297 4.350 0.001 0.000 0.196 317 E C 0.634 177.246 176.600 0.020 0.000 0.996 317 E CA 0.479 56.889 56.400 0.016 0.000 0.832 317 E CB -0.586 29.126 29.700 0.020 0.000 0.756 317 E HN 0.318 nan 8.360 nan 0.000 0.491 318 I N 1.844 122.423 120.570 0.015 0.000 2.278 318 I HA 0.015 4.186 4.170 0.001 0.000 0.296 318 I C 0.764 176.893 176.117 0.019 0.000 1.121 318 I CA 0.059 61.368 61.300 0.016 0.000 1.267 318 I CB 0.565 38.562 38.000 -0.004 0.000 1.447 318 I HN 0.058 nan 8.210 nan 0.000 0.509 319 T N 2.292 116.871 114.554 0.042 0.000 3.023 319 T HA 0.254 4.604 4.350 0.001 0.000 0.253 319 T C 1.047 175.790 174.700 0.072 0.000 1.038 319 T CA -0.039 62.087 62.100 0.043 0.000 0.962 319 T CB 0.109 69.000 68.868 0.040 0.000 1.018 319 T HN 0.434 nan 8.240 nan 0.000 0.521 320 L N 1.616 122.919 121.223 0.133 0.000 2.629 320 L HA 0.466 4.807 4.340 0.001 0.000 0.230 320 L C 1.471 178.499 176.870 0.264 0.000 1.151 320 L CA 0.052 55.027 54.840 0.224 0.000 0.924 320 L CB -0.831 41.440 42.059 0.353 0.000 1.137 320 L HN 0.660 nan 8.230 nan 0.000 0.457 321 G N 0.134 108.997 108.800 0.106 0.000 2.660 321 G HA2 -0.220 3.740 3.960 0.001 0.000 0.215 321 G HA3 -0.220 3.740 3.960 0.001 0.000 0.215 321 G C -0.543 174.254 174.900 -0.172 0.000 1.345 321 G CA -0.532 44.570 45.100 0.004 0.000 0.877 321 G HN 0.396 nan 8.290 nan 0.000 0.549 322 C N -1.821 117.298 119.300 -0.301 0.000 3.080 322 C HA 0.923 5.384 4.460 0.001 0.000 0.307 322 C C 0.311 174.988 174.990 -0.522 0.000 1.311 322 C CA 0.196 58.791 59.018 -0.706 0.000 1.533 322 C CB 1.586 28.698 27.740 -1.046 0.000 1.970 322 C HN 1.460 nan 8.230 nan 0.000 0.467 323 E N 0.203 120.004 120.200 -0.665 0.000 2.939 323 E HA 0.258 4.608 4.350 0.001 0.000 0.215 323 E C -0.937 175.565 176.600 -0.163 0.000 1.025 323 E CA -0.402 55.896 56.400 -0.170 0.000 1.259 323 E CB -0.220 29.532 29.700 0.086 0.000 1.228 323 E HN 0.723 nan 8.360 nan 0.000 0.443 324 F N 2.035 121.841 119.950 -0.241 0.000 2.666 324 F HA 0.128 4.655 4.527 0.001 0.000 0.362 324 F C 0.607 176.118 175.800 -0.482 0.000 1.190 324 F CA -0.867 56.698 58.000 -0.725 0.000 1.328 324 F CB -0.169 38.444 39.000 -0.645 0.000 1.682 324 F HN 0.358 nan 8.300 nan 0.000 0.623 325 Y N -1.734 118.531 120.300 -0.057 0.000 2.458 325 Y HA 0.169 4.719 4.550 0.001 0.000 0.254 325 Y C 1.638 177.723 175.900 0.309 0.000 1.120 325 Y CA -0.136 58.075 58.100 0.185 0.000 1.282 325 Y CB -0.354 38.171 38.460 0.109 0.000 1.109 325 Y HN 0.068 nan 8.280 nan 0.000 0.526 326 Q N 1.761 121.416 119.800 -0.242 0.000 2.123 326 Q HA 0.032 4.373 4.340 0.001 0.000 0.199 326 Q C 2.463 178.600 176.000 0.229 0.000 0.966 326 Q CA 1.841 57.658 55.803 0.024 0.000 0.845 326 Q CB -0.373 28.352 28.738 -0.022 0.000 0.907 326 Q HN 0.631 nan 8.270 nan 0.000 0.439 327 A N -0.373 122.575 122.820 0.213 0.000 2.067 327 A HA -0.125 4.195 4.320 0.001 0.000 0.219 327 A C 1.905 179.557 177.584 0.113 0.000 1.158 327 A CA 1.712 53.778 52.037 0.049 0.000 0.661 327 A CB -0.355 18.588 19.000 -0.096 0.000 0.801 327 A HN 0.334 nan 8.150 nan 0.000 0.452 328 T N -2.452 112.207 114.554 0.175 0.000 3.021 328 T HA 0.102 4.452 4.350 0.001 0.000 0.245 328 T C 1.035 175.644 174.700 -0.152 0.000 1.028 328 T CA 1.054 63.141 62.100 -0.022 0.000 1.139 328 T CB -0.174 68.642 68.868 -0.086 0.000 0.884 328 T HN 0.550 nan 8.240 nan 0.000 0.457 329 Y N -0.984 119.473 120.300 0.263 0.000 2.500 329 Y HA 0.472 5.023 4.550 0.001 0.000 0.246 329 Y C 1.098 177.204 175.900 0.344 0.000 1.146 329 Y CA -0.732 57.529 58.100 0.267 0.000 1.230 329 Y CB 0.536 39.160 38.460 0.274 0.000 1.214 329 Y HN 0.178 nan 8.280 nan 0.000 0.526 330 F N -0.891 119.205 119.950 0.243 0.000 2.570 330 F HA 0.388 4.915 4.527 0.001 0.000 0.290 330 F C 0.062 175.898 175.800 0.061 0.000 0.910 330 F CA -0.325 57.782 58.000 0.178 0.000 1.119 330 F CB 0.183 39.329 39.000 0.244 0.000 0.922 330 F HN -0.344 nan 8.300 nan 0.000 0.703 331 L N 1.023 122.224 121.223 -0.036 0.000 2.380 331 L HA 0.058 4.398 4.340 0.001 0.000 0.273 331 L C 1.212 177.989 176.870 -0.155 0.000 1.138 331 L CA -0.566 54.154 54.840 -0.200 0.000 0.832 331 L CB 1.054 43.020 42.059 -0.154 0.000 1.124 331 L HN 0.304 nan 8.230 nan 0.000 0.454 332 C N 0.596 119.778 119.300 -0.197 0.000 2.436 332 C HA -0.078 4.382 4.460 0.001 0.000 0.277 332 C C 0.817 175.764 174.990 -0.072 0.000 1.241 332 C CA 0.421 59.372 59.018 -0.113 0.000 1.721 332 C CB -0.629 27.051 27.740 -0.100 0.000 2.043 332 C HN 0.742 nan 8.230 nan 0.000 0.472 333 D N -0.390 119.941 120.400 -0.114 0.000 2.819 333 D HA 0.286 4.926 4.640 0.001 0.000 0.232 333 D C -1.261 174.953 176.300 -0.143 0.000 1.160 333 D CA -0.225 53.748 54.000 -0.046 0.000 0.858 333 D CB 1.905 42.794 40.800 0.149 0.000 1.610 333 D HN 0.134 nan 8.370 nan 0.000 0.481 334 D N 0.371 120.729 120.400 -0.070 0.000 2.466 334 D HA 0.326 4.966 4.640 0.001 0.000 0.262 334 D C 0.930 177.199 176.300 -0.053 0.000 1.177 334 D CA -0.493 53.444 54.000 -0.104 0.000 1.035 334 D CB 1.159 41.916 40.800 -0.071 0.000 1.105 334 D HN 0.438 nan 8.370 nan 0.000 0.551 335 I N -1.334 119.179 120.570 -0.095 0.000 4.025 335 I HA 0.318 4.488 4.170 0.001 0.000 0.336 335 I C -0.243 175.793 176.117 -0.134 0.000 1.390 335 I CA -0.374 60.871 61.300 -0.090 0.000 1.099 335 I CB 0.006 37.925 38.000 -0.134 0.000 1.049 335 I HN -0.051 nan 8.210 nan 0.000 0.394 336 L N 1.229 122.392 121.223 -0.100 0.000 2.379 336 L HA 0.554 4.895 4.340 0.001 0.000 0.269 336 L C 1.586 178.416 176.870 -0.066 0.000 1.084 336 L CA -0.361 54.424 54.840 -0.091 0.000 0.802 336 L CB 1.556 43.597 42.059 -0.031 0.000 1.175 336 L HN 0.157 nan 8.230 nan 0.000 0.448 337 A N 1.660 124.436 122.820 -0.073 0.000 2.119 337 A HA 0.428 4.748 4.320 0.001 0.000 0.216 337 A C 0.813 178.380 177.584 -0.029 0.000 1.152 337 A CA 1.125 53.129 52.037 -0.055 0.000 0.708 337 A CB -0.159 18.803 19.000 -0.063 0.000 0.805 337 A HN 0.753 nan 8.150 nan 0.000 0.460 338 A N -0.940 121.870 122.820 -0.016 0.000 2.566 338 A HA 0.692 5.012 4.320 0.001 0.000 0.292 338 A C -3.128 174.466 177.584 0.016 0.000 1.112 338 A CA -1.688 50.347 52.037 -0.003 0.000 0.707 338 A CB 0.388 19.385 19.000 -0.005 0.000 1.302 338 A HN 0.018 nan 8.150 nan 0.000 0.409 339 P HA 0.252 nan 4.420 nan 0.000 0.268 339 P C -0.488 176.864 177.300 0.086 0.000 1.205 339 P CA 0.059 63.190 63.100 0.051 0.000 0.771 339 P CB 0.113 31.828 31.700 0.025 0.000 0.858 340 F N 5.818 125.771 119.950 0.005 0.000 2.602 340 F HA 0.117 4.644 4.527 0.001 0.000 0.385 340 F C -1.853 173.974 175.800 0.045 0.000 1.063 340 F CA -2.035 55.986 58.000 0.035 0.000 1.233 340 F CB -0.160 38.885 39.000 0.076 0.000 1.067 340 F HN 0.231 nan 8.300 nan 0.000 0.564 341 P HA 0.192 nan 4.420 nan 0.000 0.279 341 P C -1.261 175.774 177.300 -0.443 0.000 1.318 341 P CA 0.057 62.900 63.100 -0.430 0.000 0.819 341 P CB 1.082 32.602 31.700 -0.300 0.000 0.927 342 V N 3.019 122.817 119.914 -0.193 0.000 2.789 342 V HA 0.860 4.980 4.120 0.001 0.000 0.311 342 V C -0.235 175.857 176.094 -0.003 0.000 1.073 342 V CA -0.775 61.491 62.300 -0.056 0.000 0.921 342 V CB 2.108 33.973 31.823 0.069 0.000 1.009 342 V HN 0.720 nan 8.190 nan 0.000 0.426 343 A N 2.204 125.044 122.820 0.033 0.000 2.555 343 A HA 0.697 5.018 4.320 0.001 0.000 0.297 343 A C -0.443 177.187 177.584 0.076 0.000 1.060 343 A CA -0.275 51.785 52.037 0.038 0.000 0.710 343 A CB 1.097 20.098 19.000 0.003 0.000 1.282 343 A HN 0.956 nan 8.150 nan 0.000 0.399 344 D N 0.986 121.434 120.400 0.080 0.000 2.772 344 D HA -0.059 4.581 4.640 0.001 0.000 0.233 344 D C 1.071 177.504 176.300 0.222 0.000 1.143 344 D CA 2.793 56.854 54.000 0.102 0.000 0.700 344 D CB -1.057 39.765 40.800 0.038 0.000 1.076 344 D HN 2.328 nan 8.370 nan 0.000 0.430 345 G N -0.636 108.261 108.800 0.162 0.000 2.179 345 G HA2 -0.330 3.631 3.960 0.001 0.000 0.257 345 G HA3 -0.330 3.631 3.960 0.001 0.000 0.257 345 G C -0.093 174.795 174.900 -0.019 0.000 1.010 345 G CA 0.599 45.749 45.100 0.084 0.000 0.736 345 G HN 0.662 nan 8.290 nan 0.000 0.513 346 H N -2.057 117.022 119.070 0.015 0.000 2.768 346 H HA 0.587 5.143 4.556 0.001 0.000 0.371 346 H C 0.026 175.360 175.328 0.010 0.000 1.151 346 H CA -0.645 55.405 56.048 0.005 0.000 1.165 346 H CB 1.907 31.657 29.762 -0.021 0.000 1.722 346 H HN 0.177 nan 8.280 nan 0.000 0.543 347 V N 3.467 123.454 119.914 0.122 0.000 2.614 347 V HA 0.101 4.221 4.120 0.001 0.000 0.291 347 V C 0.061 176.161 176.094 0.011 0.000 1.049 347 V CA -0.288 62.046 62.300 0.056 0.000 1.038 347 V CB 0.392 32.320 31.823 0.175 0.000 0.980 347 V HN 0.458 nan 8.190 nan 0.000 0.481 348 L N 5.491 126.659 121.223 -0.093 0.000 2.276 348 L HA 0.423 4.764 4.340 0.001 0.000 0.286 348 L C -0.306 176.502 176.870 -0.103 0.000 1.024 348 L CA -0.634 54.157 54.840 -0.082 0.000 0.826 348 L CB 1.448 43.455 42.059 -0.086 0.000 1.211 348 L HN 0.351 nan 8.230 nan 0.000 0.422 349 V N 5.021 124.887 119.914 -0.080 0.000 2.479 349 V HA 0.131 4.251 4.120 0.001 0.000 0.281 349 V C -1.704 174.378 176.094 -0.020 0.000 1.031 349 V CA -1.150 61.092 62.300 -0.097 0.000 1.038 349 V CB 0.369 32.099 31.823 -0.156 0.000 0.981 349 V HN 0.595 nan 8.190 nan 0.000 0.478 350 P HA 0.196 nan 4.420 nan 0.000 0.272 350 P C -0.148 177.323 177.300 0.286 0.000 1.230 350 P CA -0.214 62.959 63.100 0.120 0.000 0.788 350 P CB 0.509 32.295 31.700 0.144 0.000 0.949 351 D N -2.121 118.423 120.400 0.240 0.000 2.513 351 D HA 0.020 4.661 4.640 0.001 0.000 0.222 351 D C 0.108 176.474 176.300 0.111 0.000 1.210 351 D CA -0.104 54.077 54.000 0.301 0.000 0.825 351 D CB -0.712 40.288 40.800 0.334 0.000 1.037 351 D HN 0.333 nan 8.370 nan 0.000 0.506 352 T N -2.805 111.797 114.554 0.079 0.000 2.824 352 T HA 0.575 4.925 4.350 0.001 0.000 0.277 352 T C -2.600 172.090 174.700 -0.017 0.000 0.975 352 T CA -1.726 60.389 62.100 0.025 0.000 0.966 352 T CB 1.199 70.086 68.868 0.032 0.000 1.054 352 T HN -0.250 nan 8.240 nan 0.000 0.533 353 P HA 0.433 nan 4.420 nan 0.000 0.272 353 P C 0.985 178.247 177.300 -0.064 0.000 1.223 353 P CA 0.976 64.037 63.100 -0.065 0.000 0.784 353 P CB 0.008 31.682 31.700 -0.044 0.000 0.923 354 G N 0.861 109.598 108.800 -0.106 0.000 2.575 354 G HA2 -0.307 3.653 3.960 0.001 0.000 0.267 354 G HA3 -0.307 3.653 3.960 0.001 0.000 0.267 354 G C 0.762 175.531 174.900 -0.218 0.000 1.264 354 G CA 0.113 45.142 45.100 -0.119 0.000 0.935 354 G HN 0.476 nan 8.290 nan 0.000 0.568 355 L N 1.519 122.636 121.223 -0.177 0.000 2.362 355 L HA 0.260 4.600 4.340 0.001 0.000 0.219 355 L C 2.672 179.613 176.870 0.117 0.000 1.134 355 L CA 1.640 56.372 54.840 -0.180 0.000 0.807 355 L CB -0.560 41.468 42.059 -0.051 0.000 0.927 355 L HN 2.081 nan 8.230 nan 0.000 0.447 356 G N -0.754 108.088 108.800 0.070 0.000 2.213 356 G HA2 -0.227 3.734 3.960 0.001 0.000 0.226 356 G HA3 -0.227 3.734 3.960 0.001 0.000 0.226 356 G C 0.128 175.068 174.900 0.068 0.000 0.992 356 G CA -0.048 45.115 45.100 0.105 0.000 0.632 356 G HN 0.098 nan 8.290 nan 0.000 0.511 357 V N 1.292 121.240 119.914 0.055 0.000 2.656 357 V HA 0.552 4.672 4.120 0.001 0.000 0.307 357 V C -0.592 175.490 176.094 -0.020 0.000 1.051 357 V CA -1.178 61.135 62.300 0.022 0.000 0.893 357 V CB 1.929 33.775 31.823 0.038 0.000 0.999 357 V HN 0.188 nan 8.190 nan 0.000 0.426 358 D N 2.120 122.494 120.400 -0.042 0.000 2.424 358 D HA 0.256 4.897 4.640 0.001 0.000 0.244 358 D C -0.062 176.131 176.300 -0.178 0.000 1.134 358 D CA 0.160 54.105 54.000 -0.091 0.000 0.881 358 D CB 1.581 42.342 40.800 -0.066 0.000 1.191 358 D HN 0.240 nan 8.370 nan 0.000 0.445 359 V N 2.591 122.294 119.914 -0.351 0.000 2.530 359 V HA 0.024 4.144 4.120 0.001 0.000 0.282 359 V C 0.405 176.261 176.094 -0.398 0.000 1.048 359 V CA -0.344 61.645 62.300 -0.518 0.000 0.997 359 V CB 1.410 32.536 31.823 -1.161 0.000 0.987 359 V HN 0.438 nan 8.190 nan 0.000 0.477 360 D N 3.708 123.931 120.400 -0.295 0.000 2.411 360 D HA 0.158 4.799 4.640 0.001 0.000 0.225 360 D C 1.115 177.270 176.300 -0.242 0.000 1.156 360 D CA -0.179 53.699 54.000 -0.204 0.000 0.874 360 D CB 1.015 41.736 40.800 -0.131 0.000 1.034 360 D HN 0.618 nan 8.370 nan 0.000 0.502 361 E N 2.076 122.147 120.200 -0.215 0.000 2.265 361 E HA -0.152 4.198 4.350 0.001 0.000 0.196 361 E C 0.596 177.108 176.600 -0.146 0.000 0.996 361 E CA 0.730 57.000 56.400 -0.217 0.000 0.832 361 E CB 0.365 30.026 29.700 -0.065 0.000 0.756 361 E HN 0.536 nan 8.360 nan 0.000 0.491 362 D N 0.832 121.169 120.400 -0.105 0.000 2.144 362 D HA -0.103 4.537 4.640 0.001 0.000 0.200 362 D C 1.894 178.115 176.300 -0.133 0.000 0.978 362 D CA 1.145 55.090 54.000 -0.091 0.000 0.833 362 D CB -0.199 40.556 40.800 -0.075 0.000 0.961 362 D HN 0.147 nan 8.370 nan 0.000 0.470 363 A N 0.707 123.448 122.820 -0.132 0.000 1.969 363 A HA -0.093 4.227 4.320 0.001 0.000 0.218 363 A C 2.354 179.897 177.584 -0.070 0.000 1.169 363 A CA 0.725 52.703 52.037 -0.097 0.000 0.635 363 A CB -0.637 18.368 19.000 0.009 0.000 0.810 363 A HN 0.180 nan 8.150 nan 0.000 0.445 364 L N -0.828 120.282 121.223 -0.189 0.000 1.994 364 L HA -0.217 4.123 4.340 0.001 0.000 0.208 364 L C 3.159 179.981 176.870 -0.081 0.000 1.071 364 L CA 1.269 55.926 54.840 -0.305 0.000 0.745 364 L CB -0.748 40.733 42.059 -0.963 0.000 0.892 364 L HN 0.441 nan 8.230 nan 0.000 0.431 365 A N 0.096 122.899 122.820 -0.029 0.000 1.883 365 A HA -0.272 4.049 4.320 0.001 0.000 0.217 365 A C 2.439 180.007 177.584 -0.027 0.000 1.186 365 A CA 1.979 54.061 52.037 0.075 0.000 0.624 365 A CB -0.683 18.353 19.000 0.061 0.000 0.822 365 A HN 0.368 nan 8.150 nan 0.000 0.444 366 R N -1.719 118.675 120.500 -0.177 0.000 2.091 366 R HA -0.147 4.193 4.340 0.001 0.000 0.238 366 R C 0.952 177.015 176.300 -0.396 0.000 1.136 366 R CA 1.949 57.819 56.100 -0.382 0.000 0.959 366 R CB -0.281 29.604 30.300 -0.691 0.000 0.856 366 R HN 0.473 nan 8.270 nan 0.000 0.437 367 F N 0.298 120.237 119.950 -0.017 0.000 2.695 367 F HA 0.390 4.917 4.527 0.001 0.000 0.303 367 F C 0.707 176.513 175.800 0.009 0.000 1.091 367 F CA -0.319 57.670 58.000 -0.018 0.000 1.300 367 F CB 0.098 39.076 39.000 -0.038 0.000 1.071 367 F HN 0.003 nan 8.300 nan 0.000 0.578 368 A N 1.089 124.016 122.820 0.178 0.000 2.462 368 A HA 0.446 4.766 4.320 0.001 0.000 0.243 368 A C 0.656 178.275 177.584 0.058 0.000 1.076 368 A CA -0.282 51.860 52.037 0.175 0.000 0.773 368 A CB -0.014 19.136 19.000 0.249 0.000 1.010 368 A HN 0.170 nan 8.150 nan 0.000 0.493 369 V N 0.000 119.885 119.914 -0.049 0.000 2.409 369 V HA 0.000 4.120 4.120 0.001 0.000 0.244 369 V CA 0.000 62.214 62.300 -0.144 0.000 1.235 369 V CB 0.000 31.575 31.823 -0.414 0.000 1.184 369 V HN 0.000 nan 8.190 nan 0.000 0.556