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 3i6e_1_G DATA FIRST_RESID 6 DATA SEQUENCE LEQKIIAMDL WHLALPVXXX XXXXXXXXXX XCEIVVLRLV AEGGAEGFGE DATA SEQUENCE ASPWAVFTGT PEASYAALDR YLRPLVIGRR VGDRVAIMDE AARAVAHCTE DATA SEQUENCE AKAALDSALL DLAGRISNLP VWALLGGKCR DTIPLSCSIA NPDFDADIAL DATA SEQUENCE MERLRADGVG LIKLKTGFRD HAFDIMRLEL IARDFPEFRV RVDYNQGLEI DATA SEQUENCE DEAVPRVLDV AQFQPDFIEQ PVRAHHFELM ARLRGLTDVP LLADESVYGP DATA SEQUENCE EDMVRAAHEG ICDGVSIKIM KSGGLTRAQT VARIAAAHGL MAYGGDMFEA DATA SEQUENCE GLAHLAGTHM IAATPEITLG CEFYQASYFL NEDILETPFR VEAGQVIVPD DATA SEQUENCE GPGLGARADP EKLEHYAVRR 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 L HA 0.000 nan 4.340 nan 0.000 0.249 6 L C 0.000 176.859 176.870 -0.018 0.000 1.165 6 L CA 0.000 54.828 54.840 -0.021 0.000 0.813 6 L CB 0.000 42.046 42.059 -0.022 0.000 0.961 7 E N 0.768 120.959 120.200 -0.016 0.000 2.427 7 E HA 0.030 4.380 4.350 -0.000 0.000 0.196 7 E C 0.402 176.993 176.600 -0.016 0.000 1.028 7 E CA 0.287 56.678 56.400 -0.014 0.000 0.864 7 E CB 0.168 29.861 29.700 -0.012 0.000 0.813 7 E HN 0.547 nan 8.360 nan 0.000 0.514 8 Q N 1.148 120.937 119.800 -0.018 0.000 2.386 8 Q HA 0.050 4.390 4.340 -0.000 0.000 0.282 8 Q C 0.006 175.993 176.000 -0.021 0.000 1.050 8 Q CA 0.824 56.615 55.803 -0.019 0.000 0.918 8 Q CB 0.623 29.348 28.738 -0.021 0.000 1.266 8 Q HN -0.079 nan 8.270 nan 0.000 0.423 9 K N 1.631 122.018 120.400 -0.022 0.000 2.098 9 K HA 0.413 4.733 4.320 -0.000 0.000 0.258 9 K C -0.432 176.150 176.600 -0.029 0.000 0.973 9 K CA -0.634 55.638 56.287 -0.024 0.000 0.898 9 K CB 1.045 33.532 32.500 -0.022 0.000 1.057 9 K HN 0.452 nan 8.250 nan 0.000 0.447 10 I N 4.130 124.680 120.570 -0.033 0.000 2.337 10 I HA 0.045 4.215 4.170 -0.000 0.000 0.291 10 I C 1.448 177.540 176.117 -0.041 0.000 1.046 10 I CA 0.079 61.355 61.300 -0.040 0.000 1.324 10 I CB 0.487 38.461 38.000 -0.043 0.000 1.409 10 I HN 0.646 nan 8.210 nan 0.000 0.494 11 I N 3.322 123.866 120.570 -0.042 0.000 3.645 11 I HA 0.498 4.668 4.170 -0.000 0.000 0.300 11 I C 0.773 176.861 176.117 -0.048 0.000 1.260 11 I CA 0.169 61.445 61.300 -0.040 0.000 1.365 11 I CB 0.285 38.265 38.000 -0.034 0.000 1.077 11 I HN 0.512 nan 8.210 nan 0.000 0.439 12 A N 1.619 124.404 122.820 -0.058 0.000 2.594 12 A HA 0.747 5.067 4.320 -0.000 0.000 0.295 12 A C -1.046 176.485 177.584 -0.088 0.000 1.071 12 A CA -0.559 51.436 52.037 -0.070 0.000 0.685 12 A CB 1.822 20.784 19.000 -0.064 0.000 1.285 12 A HN 0.299 nan 8.150 nan 0.000 0.405 13 M N 2.301 121.839 119.600 -0.105 0.000 2.204 13 M HA 0.445 4.925 4.480 -0.000 0.000 0.293 13 M C -2.072 174.123 176.300 -0.176 0.000 0.994 13 M CA -0.395 54.829 55.300 -0.127 0.000 0.925 13 M CB 1.468 33.996 32.600 -0.119 0.000 1.577 13 M HN 0.707 nan 8.290 nan 0.000 0.439 14 D N 5.972 126.243 120.400 -0.215 0.000 2.498 14 D HA 0.642 5.282 4.640 -0.000 0.000 0.247 14 D C -1.052 174.958 176.300 -0.484 0.000 1.070 14 D CA -0.177 53.581 54.000 -0.404 0.000 0.842 14 D CB 2.548 43.068 40.800 -0.468 0.000 1.361 14 D HN 0.598 nan 8.370 nan 0.000 0.484 15 L N 0.643 121.504 121.223 -0.603 0.000 2.354 15 L HA 0.589 4.929 4.340 -0.000 0.000 0.264 15 L C -0.876 175.806 176.870 -0.313 0.000 1.008 15 L CA -0.867 53.779 54.840 -0.323 0.000 0.819 15 L CB 2.655 44.510 42.059 -0.339 0.000 1.339 15 L HN 0.201 nan 8.230 nan 0.000 0.420 16 W N 1.055 122.516 121.300 0.269 0.000 2.968 16 W HA 0.273 4.933 4.660 -0.000 0.000 0.337 16 W C -0.815 175.909 176.519 0.341 0.000 1.060 16 W CA -0.635 56.883 57.345 0.289 0.000 1.240 16 W CB 1.679 31.260 29.460 0.202 0.000 1.370 16 W HN 0.592 nan 8.180 nan 0.000 0.459 17 H N 3.792 123.088 119.070 0.376 0.000 2.640 17 H HA 0.533 5.089 4.556 -0.000 0.000 0.297 17 H C -0.779 174.656 175.328 0.177 0.000 1.073 17 H CA -0.180 55.998 56.048 0.218 0.000 1.305 17 H CB 0.719 30.470 29.762 -0.019 0.000 1.404 17 H HN 0.291 nan 8.280 nan 0.000 0.459 18 L N 4.115 125.605 121.223 0.445 0.000 2.334 18 L HA 0.611 4.951 4.340 -0.000 0.000 0.272 18 L C -0.274 176.710 176.870 0.189 0.000 1.020 18 L CA -1.114 53.877 54.840 0.252 0.000 0.812 18 L CB 1.868 44.032 42.059 0.174 0.000 1.264 18 L HN 0.666 nan 8.230 nan 0.000 0.439 19 A N 3.752 126.621 122.820 0.082 0.000 2.360 19 A HA 0.662 4.982 4.320 -0.000 0.000 0.309 19 A C -0.770 176.777 177.584 -0.061 0.000 1.311 19 A CA -0.393 51.658 52.037 0.023 0.000 0.805 19 A CB 0.328 19.323 19.000 -0.009 0.000 1.144 19 A HN 0.617 nan 8.150 nan 0.000 0.486 20 L N 3.672 124.804 121.223 -0.151 0.000 2.264 20 L HA 0.368 4.708 4.340 -0.000 0.000 0.289 20 L C -2.283 174.424 176.870 -0.271 0.000 1.044 20 L CA -1.959 52.661 54.840 -0.367 0.000 0.807 20 L CB 1.551 43.400 42.059 -0.351 0.000 1.192 20 L HN 0.407 nan 8.230 nan 0.000 0.425 21 P HA 0.091 nan 4.420 nan 0.000 0.269 21 P C -0.576 176.565 177.300 -0.264 0.000 1.209 21 P CA -0.191 62.799 63.100 -0.184 0.000 0.776 21 P CB 1.041 32.689 31.700 -0.087 0.000 0.876 38 E N 4.831 125.114 120.200 0.139 0.000 2.197 38 E HA 0.768 5.118 4.350 -0.000 0.000 0.281 38 E C -0.093 176.598 176.600 0.153 0.000 0.995 38 E CA -0.352 56.149 56.400 0.167 0.000 0.808 38 E CB 1.624 31.463 29.700 0.232 0.000 1.093 38 E HN 0.748 nan 8.360 nan 0.000 0.394 39 I N -1.712 118.944 120.570 0.144 0.000 3.174 39 I HA 0.643 4.813 4.170 -0.000 0.000 0.313 39 I C -1.132 175.063 176.117 0.130 0.000 1.155 39 I CA -1.283 60.082 61.300 0.108 0.000 0.977 39 I CB 1.946 39.990 38.000 0.074 0.000 1.248 39 I HN 0.139 nan 8.210 nan 0.000 0.453 40 V N 3.572 123.558 119.914 0.120 0.000 2.444 40 V HA 0.466 4.586 4.120 -0.000 0.000 0.294 40 V C -0.105 176.115 176.094 0.211 0.000 1.022 40 V CA -0.609 61.804 62.300 0.189 0.000 0.850 40 V CB 1.626 33.540 31.823 0.151 0.000 0.992 40 V HN 0.543 nan 8.190 nan 0.000 0.426 41 V N 6.010 126.116 119.914 0.320 0.000 2.532 41 V HA 0.561 4.681 4.120 -0.000 0.000 0.295 41 V C -0.323 176.053 176.094 0.469 0.000 1.041 41 V CA -0.588 61.926 62.300 0.357 0.000 0.926 41 V CB 1.765 33.786 31.823 0.329 0.000 0.992 41 V HN 0.697 nan 8.190 nan 0.000 0.457 42 L N 5.078 126.523 121.223 0.370 0.000 2.362 42 L HA 0.766 5.106 4.340 -0.000 0.000 0.271 42 L C -0.501 176.519 176.870 0.250 0.000 1.002 42 L CA -0.328 54.665 54.840 0.255 0.000 0.818 42 L CB 1.683 43.803 42.059 0.103 0.000 1.298 42 L HN 0.733 nan 8.230 nan 0.000 0.420 43 R N 4.937 125.500 120.500 0.104 0.000 2.532 43 R HA 0.707 5.047 4.340 -0.000 0.000 0.297 43 R C -2.064 174.117 176.300 -0.198 0.000 0.984 43 R CA -0.624 55.340 56.100 -0.227 0.000 0.884 43 R CB 1.262 31.454 30.300 -0.179 0.000 1.182 43 R HN 0.809 nan 8.270 nan 0.000 0.442 44 L N 4.501 125.578 121.223 -0.243 0.000 2.346 44 L HA 0.591 4.931 4.340 -0.000 0.000 0.276 44 L C -0.772 176.002 176.870 -0.160 0.000 1.006 44 L CA -1.253 53.494 54.840 -0.155 0.000 0.817 44 L CB 2.212 44.204 42.059 -0.111 0.000 1.272 44 L HN 0.362 nan 8.230 nan 0.000 0.421 45 V N 1.992 121.839 119.914 -0.111 0.000 2.495 45 V HA 0.636 4.756 4.120 -0.000 0.000 0.298 45 V C 0.294 176.351 176.094 -0.062 0.000 1.031 45 V CA -0.626 61.622 62.300 -0.086 0.000 0.871 45 V CB 1.610 33.395 31.823 -0.064 0.000 0.988 45 V HN 0.868 nan 8.190 nan 0.000 0.432 46 A N 3.002 125.791 122.820 -0.052 0.000 2.293 46 A HA 0.511 4.831 4.320 -0.000 0.000 0.302 46 A C 1.198 178.763 177.584 -0.031 0.000 1.119 46 A CA -0.148 51.865 52.037 -0.040 0.000 0.823 46 A CB 0.407 19.385 19.000 -0.037 0.000 1.097 46 A HN 1.031 nan 8.150 nan 0.000 0.491 47 E N 1.596 121.780 120.200 -0.027 0.000 2.209 47 E HA -0.166 4.184 4.350 -0.000 0.000 0.196 47 E C 1.326 177.916 176.600 -0.018 0.000 0.993 47 E CA 1.318 57.705 56.400 -0.022 0.000 0.819 47 E CB -0.380 29.308 29.700 -0.020 0.000 0.745 47 E HN 0.698 nan 8.360 nan 0.000 0.477 48 G N 0.151 108.940 108.800 -0.018 0.000 2.679 48 G HA2 0.113 4.073 3.960 -0.000 0.000 0.212 48 G HA3 0.113 4.073 3.960 -0.000 0.000 0.212 48 G C 1.182 176.074 174.900 -0.012 0.000 1.137 48 G CA 0.395 45.487 45.100 -0.015 0.000 0.787 48 G HN 0.612 nan 8.290 nan 0.000 0.534 49 G N -1.104 107.687 108.800 -0.015 0.000 2.232 49 G HA2 0.105 4.065 3.960 -0.000 0.000 0.226 49 G HA3 0.105 4.065 3.960 -0.000 0.000 0.226 49 G C 0.692 175.585 174.900 -0.012 0.000 0.996 49 G CA 0.371 45.464 45.100 -0.011 0.000 0.626 49 G HN 1.366 nan 8.290 nan 0.000 0.509 50 A N 0.335 123.144 122.820 -0.017 0.000 2.466 50 A HA 0.577 4.897 4.320 -0.000 0.000 0.238 50 A C 0.346 177.907 177.584 -0.038 0.000 1.074 50 A CA 0.819 52.844 52.037 -0.019 0.000 0.774 50 A CB 0.200 19.187 19.000 -0.022 0.000 1.015 50 A HN 0.553 nan 8.150 nan 0.000 0.498 51 E N -0.061 120.115 120.200 -0.040 0.000 2.238 51 E HA 0.575 4.925 4.350 -0.000 0.000 0.267 51 E C -0.232 176.294 176.600 -0.123 0.000 0.887 51 E CA -0.680 55.652 56.400 -0.113 0.000 0.769 51 E CB 2.288 31.916 29.700 -0.120 0.000 1.187 51 E HN 0.784 nan 8.360 nan 0.000 0.416 52 G N 1.740 110.403 108.800 -0.228 0.000 2.566 52 G HA2 0.608 4.568 3.960 -0.000 0.000 0.311 52 G HA3 0.608 4.568 3.960 -0.000 0.000 0.311 52 G C -1.406 173.330 174.900 -0.273 0.000 1.322 52 G CA -0.400 44.614 45.100 -0.143 0.000 0.969 52 G HN 0.257 nan 8.290 nan 0.000 0.490 53 F N 0.462 120.425 119.950 0.021 0.000 2.522 53 F HA 0.797 5.324 4.527 -0.000 0.000 0.324 53 F C 0.734 176.546 175.800 0.020 0.000 1.077 53 F CA -0.343 57.679 58.000 0.037 0.000 0.944 53 F CB 2.979 41.991 39.000 0.020 0.000 1.175 53 F HN 0.696 nan 8.300 nan 0.000 0.468 54 G N 1.181 110.127 108.800 0.244 0.000 2.696 54 G HA2 0.526 4.486 3.960 -0.000 0.000 0.295 54 G HA3 0.526 4.486 3.960 -0.000 0.000 0.295 54 G C -2.216 172.764 174.900 0.133 0.000 1.398 54 G CA -0.612 44.569 45.100 0.135 0.000 0.920 54 G HN 0.558 nan 8.290 nan 0.000 0.492 55 E N 0.199 120.442 120.200 0.071 0.000 2.238 55 E HA 0.667 5.017 4.350 -0.000 0.000 0.267 55 E C -0.717 175.913 176.600 0.049 0.000 0.887 55 E CA -1.019 55.415 56.400 0.056 0.000 0.769 55 E CB 2.012 31.706 29.700 -0.010 0.000 1.187 55 E HN 0.691 nan 8.360 nan 0.000 0.416 56 A N 2.675 125.535 122.820 0.068 0.000 2.304 56 A HA 0.484 4.804 4.320 -0.000 0.000 0.314 56 A C -0.894 176.735 177.584 0.075 0.000 1.187 56 A CA -0.676 51.403 52.037 0.071 0.000 0.810 56 A CB 1.282 20.329 19.000 0.079 0.000 1.183 56 A HN 0.444 nan 8.150 nan 0.000 0.487 57 S N 4.454 120.202 115.700 0.081 0.000 2.252 57 S HA 0.412 4.882 4.470 -0.000 0.000 0.180 57 S C -2.851 171.852 174.600 0.172 0.000 1.534 57 S CA -0.945 57.323 58.200 0.112 0.000 1.141 57 S CB 0.304 63.552 63.200 0.080 0.000 1.122 57 S HN 0.572 nan 8.310 nan 0.000 0.475 58 P HA 0.132 nan 4.420 nan 0.000 0.275 58 P C -0.768 176.745 177.300 0.355 0.000 1.227 58 P CA -0.361 62.871 63.100 0.220 0.000 0.781 58 P CB 0.548 32.327 31.700 0.132 0.000 0.906 59 W N 3.890 125.257 121.300 0.111 0.000 2.338 59 W HA 0.390 5.050 4.660 0.000 0.000 0.315 59 W C 0.639 177.181 176.519 0.038 0.000 1.005 59 W CA -0.775 56.620 57.345 0.082 0.000 1.380 59 W CB 1.542 31.075 29.460 0.121 0.000 1.235 59 W HN 0.544 nan 8.180 nan 0.000 0.409 60 A N 3.260 125.863 122.820 -0.361 0.000 1.929 60 A HA -0.318 4.002 4.320 -0.000 0.000 0.221 60 A C 1.797 179.219 177.584 -0.270 0.000 1.211 60 A CA 3.197 55.049 52.037 -0.308 0.000 0.657 60 A CB -1.003 17.770 19.000 -0.378 0.000 0.827 60 A HN 0.971 nan 8.150 nan 0.000 0.462 61 V N -5.103 114.503 119.914 -0.514 0.000 3.306 61 V HA 0.081 4.201 4.120 -0.000 0.000 0.264 61 V C 1.828 178.032 176.094 0.183 0.000 1.149 61 V CA 1.409 63.559 62.300 -0.251 0.000 1.143 61 V CB -0.796 30.789 31.823 -0.397 0.000 0.767 61 V HN 0.334 nan 8.190 nan 0.000 0.476 62 F N 1.957 122.019 119.950 0.187 0.000 2.534 62 F HA 0.225 4.752 4.527 -0.000 0.000 0.274 62 F C 2.733 178.704 175.800 0.285 0.000 0.917 62 F CA 1.395 59.576 58.000 0.302 0.000 1.145 62 F CB -1.296 37.975 39.000 0.451 0.000 1.145 62 F HN 0.238 nan 8.300 nan 0.000 0.746 63 T N -2.051 112.813 114.554 0.516 0.000 3.035 63 T HA 0.532 4.882 4.350 -0.000 0.000 0.259 63 T C 0.980 175.830 174.700 0.251 0.000 1.078 63 T CA 0.719 63.065 62.100 0.410 0.000 1.132 63 T CB 0.016 69.086 68.868 0.337 0.000 0.900 63 T HN 0.543 nan 8.240 nan 0.000 0.480 64 G N 0.701 109.609 108.800 0.180 0.000 2.369 64 G HA2 0.354 4.314 3.960 -0.000 0.000 0.307 64 G HA3 0.354 4.314 3.960 -0.000 0.000 0.307 64 G C -0.544 174.394 174.900 0.064 0.000 1.327 64 G CA -0.450 44.706 45.100 0.093 0.000 0.963 64 G HN 0.764 nan 8.290 nan 0.000 0.590 65 T N -1.085 113.489 114.554 0.034 0.000 2.918 65 T HA 0.728 5.078 4.350 -0.000 0.000 0.283 65 T C -1.039 173.670 174.700 0.015 0.000 1.001 65 T CA -0.793 61.313 62.100 0.009 0.000 1.041 65 T CB 2.434 71.300 68.868 -0.002 0.000 1.028 65 T HN 0.365 nan 8.240 nan 0.000 0.511 66 P HA -0.031 nan 4.420 nan 0.000 0.219 66 P C 0.951 178.181 177.300 -0.117 0.000 1.150 66 P CA 0.977 63.995 63.100 -0.136 0.000 0.814 66 P CB 0.198 31.702 31.700 -0.327 0.000 0.787 67 E N 0.609 120.790 120.200 -0.032 0.000 2.077 67 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 67 E C 2.316 178.984 176.600 0.113 0.000 0.989 67 E CA 1.645 58.079 56.400 0.056 0.000 0.800 67 E CB -1.126 28.614 29.700 0.066 0.000 0.746 67 E HN 0.192 nan 8.360 nan 0.000 0.452 68 A N 0.189 123.060 122.820 0.084 0.000 1.898 68 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 68 A C 2.347 179.999 177.584 0.113 0.000 1.181 68 A CA 1.741 53.836 52.037 0.097 0.000 0.620 68 A CB -0.607 18.438 19.000 0.075 0.000 0.819 68 A HN 0.183 nan 8.150 nan 0.000 0.442 69 S N -2.034 113.726 115.700 0.101 0.000 2.402 69 S HA -0.108 4.362 4.470 -0.000 0.000 0.229 69 S C 1.761 176.427 174.600 0.111 0.000 1.021 69 S CA 1.225 59.484 58.200 0.097 0.000 0.974 69 S CB -0.476 62.774 63.200 0.084 0.000 0.800 69 S HN 0.673 nan 8.310 nan 0.000 0.484 70 Y N 2.172 122.479 120.300 0.011 0.000 2.145 70 Y HA -0.125 4.425 4.550 -0.000 0.000 0.286 70 Y C 2.380 178.316 175.900 0.059 0.000 1.145 70 Y CA 1.258 59.372 58.100 0.024 0.000 1.148 70 Y CB -0.605 37.863 38.460 0.012 0.000 0.981 70 Y HN 0.233 nan 8.280 nan 0.000 0.507 71 A N 0.395 123.382 122.820 0.278 0.000 1.930 71 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 71 A C 2.384 180.115 177.584 0.246 0.000 1.175 71 A CA 1.655 53.839 52.037 0.246 0.000 0.627 71 A CB -1.466 17.708 19.000 0.290 0.000 0.815 71 A HN 0.604 nan 8.150 nan 0.000 0.443 72 A N -0.274 122.671 122.820 0.209 0.000 1.908 72 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 72 A C 2.196 179.866 177.584 0.143 0.000 1.181 72 A CA 1.658 53.822 52.037 0.212 0.000 0.627 72 A CB -0.550 18.505 19.000 0.092 0.000 0.818 72 A HN 0.477 nan 8.150 nan 0.000 0.445 73 L N -1.223 120.011 121.223 0.018 0.000 2.049 73 L HA -0.113 4.227 4.340 -0.000 0.000 0.203 73 L C 2.426 179.220 176.870 -0.127 0.000 1.074 73 L CA 1.578 56.381 54.840 -0.062 0.000 0.749 73 L CB -0.503 41.485 42.059 -0.119 0.000 0.907 73 L HN 0.380 nan 8.230 nan 0.000 0.439 74 D N -0.293 119.968 120.400 -0.232 0.000 2.144 74 D HA -0.219 4.421 4.640 -0.000 0.000 0.199 74 D C 2.308 178.504 176.300 -0.173 0.000 0.984 74 D CA 1.334 55.180 54.000 -0.258 0.000 0.834 74 D CB 0.237 40.816 40.800 -0.369 0.000 0.955 74 D HN 0.064 nan 8.370 nan 0.000 0.465 75 R N -2.064 118.332 120.500 -0.173 0.000 2.164 75 R HA 0.038 4.378 4.340 -0.000 0.000 0.198 75 R C 1.644 177.664 176.300 -0.466 0.000 1.028 75 R CA 0.197 56.079 56.100 -0.363 0.000 1.083 75 R CB 0.002 29.962 30.300 -0.567 0.000 1.026 75 R HN 0.191 nan 8.270 nan 0.000 0.514 76 Y N 0.114 120.394 120.300 -0.033 0.000 2.389 76 Y HA 0.142 4.692 4.550 -0.000 0.000 0.292 76 Y C 1.832 177.713 175.900 -0.032 0.000 1.117 76 Y CA 0.555 58.639 58.100 -0.027 0.000 1.195 76 Y CB 0.231 38.681 38.460 -0.018 0.000 1.076 76 Y HN -0.043 nan 8.280 nan 0.000 0.548 77 L N -0.556 120.720 121.223 0.089 0.000 2.416 77 L HA 0.079 4.419 4.340 -0.000 0.000 0.216 77 L C 2.475 179.336 176.870 -0.015 0.000 1.098 77 L CA 0.338 55.199 54.840 0.034 0.000 0.840 77 L CB -0.236 41.839 42.059 0.028 0.000 0.981 77 L HN 0.085 nan 8.230 nan 0.000 0.462 78 R N 1.551 122.023 120.500 -0.048 0.000 2.094 78 R HA -0.156 4.184 4.340 -0.000 0.000 0.239 78 R C -0.503 175.763 176.300 -0.057 0.000 1.137 78 R CA 2.009 58.067 56.100 -0.070 0.000 0.943 78 R CB -1.172 29.067 30.300 -0.101 0.000 0.850 78 R HN 0.202 nan 8.270 nan 0.000 0.433 79 P HA -0.140 nan 4.420 nan 0.000 0.225 79 P C 1.302 178.585 177.300 -0.029 0.000 1.148 79 P CA 0.898 63.971 63.100 -0.045 0.000 0.779 79 P CB -0.024 31.646 31.700 -0.050 0.000 0.780 80 L N -0.789 120.422 121.223 -0.019 0.000 2.307 80 L HA 0.035 4.375 4.340 -0.000 0.000 0.211 80 L C 2.149 179.010 176.870 -0.016 0.000 1.099 80 L CA 1.254 56.087 54.840 -0.010 0.000 0.816 80 L CB -0.604 41.457 42.059 0.003 0.000 0.952 80 L HN -0.260 nan 8.230 nan 0.000 0.455 81 V N -0.457 119.443 119.914 -0.023 0.000 2.575 81 V HA 0.054 4.174 4.120 -0.000 0.000 0.242 81 V C 1.212 177.286 176.094 -0.033 0.000 1.045 81 V CA -0.099 62.184 62.300 -0.027 0.000 1.065 81 V CB -0.220 31.584 31.823 -0.033 0.000 0.717 81 V HN 0.053 nan 8.190 nan 0.000 0.467 82 I N 1.982 122.528 120.570 -0.039 0.000 2.742 82 I HA 0.210 4.380 4.170 -0.000 0.000 0.287 82 I C 1.510 177.607 176.117 -0.033 0.000 1.186 82 I CA 1.698 62.973 61.300 -0.041 0.000 1.417 82 I CB -0.584 37.388 38.000 -0.047 0.000 1.377 82 I HN 0.529 nan 8.210 nan 0.000 0.556 83 G N 6.011 114.793 108.800 -0.031 0.000 2.175 83 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.244 83 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.244 83 G C 0.493 175.380 174.900 -0.022 0.000 0.982 83 G CA -0.475 44.609 45.100 -0.026 0.000 0.641 83 G HN 0.481 nan 8.290 nan 0.000 0.527 84 R N 0.435 120.921 120.500 -0.023 0.000 2.500 84 R HA 0.545 4.885 4.340 -0.000 0.000 0.277 84 R C 0.678 176.965 176.300 -0.021 0.000 1.026 84 R CA -0.665 55.423 56.100 -0.020 0.000 1.058 84 R CB 0.524 30.814 30.300 -0.018 0.000 1.078 84 R HN 0.344 nan 8.270 nan 0.000 0.509 85 R N 0.600 121.089 120.500 -0.018 0.000 2.390 85 R HA 0.114 4.454 4.340 -0.000 0.000 0.291 85 R C 1.393 177.682 176.300 -0.019 0.000 1.070 85 R CA -0.399 55.690 56.100 -0.018 0.000 1.014 85 R CB 0.745 31.036 30.300 -0.015 0.000 1.007 85 R HN 0.299 nan 8.270 nan 0.000 0.466 86 V N 2.609 122.509 119.914 -0.023 0.000 2.324 86 V HA -0.226 3.894 4.120 -0.000 0.000 0.250 86 V C 2.160 178.241 176.094 -0.021 0.000 1.060 86 V CA 2.425 64.710 62.300 -0.025 0.000 1.042 86 V CB -0.632 31.174 31.823 -0.029 0.000 0.650 86 V HN 1.112 nan 8.190 nan 0.000 0.450 87 G N -0.771 108.018 108.800 -0.019 0.000 2.625 87 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.214 87 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.214 87 G C 0.758 175.651 174.900 -0.011 0.000 1.132 87 G CA 0.512 45.603 45.100 -0.015 0.000 0.782 87 G HN 0.512 nan 8.290 nan 0.000 0.538 88 D N -0.330 120.064 120.400 -0.011 0.000 2.460 88 D HA 0.110 4.750 4.640 -0.000 0.000 0.229 88 D C 1.956 178.253 176.300 -0.006 0.000 1.170 88 D CA -0.278 53.717 54.000 -0.008 0.000 0.827 88 D CB 0.211 41.006 40.800 -0.008 0.000 0.973 88 D HN 0.267 nan 8.370 nan 0.000 0.496 89 R N 0.400 120.896 120.500 -0.007 0.000 2.112 89 R HA -0.179 4.161 4.340 -0.000 0.000 0.242 89 R C 1.649 177.949 176.300 0.001 0.000 1.137 89 R CA 1.456 57.554 56.100 -0.004 0.000 0.944 89 R CB -0.243 30.054 30.300 -0.006 0.000 0.857 89 R HN 0.012 nan 8.270 nan 0.000 0.435 90 V N 0.837 120.754 119.914 0.004 0.000 2.282 90 V HA -0.298 3.822 4.120 -0.000 0.000 0.249 90 V C 2.500 178.598 176.094 0.007 0.000 1.057 90 V CA 2.110 64.414 62.300 0.008 0.000 1.032 90 V CB -0.916 30.913 31.823 0.009 0.000 0.645 90 V HN 0.612 nan 8.190 nan 0.000 0.447 91 A N -0.297 122.525 122.820 0.003 0.000 1.898 91 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 91 A C 2.184 179.770 177.584 0.002 0.000 1.181 91 A CA 1.704 53.743 52.037 0.003 0.000 0.620 91 A CB -0.497 18.503 19.000 0.000 0.000 0.819 91 A HN 0.498 nan 8.150 nan 0.000 0.442 92 I N -0.626 119.944 120.570 0.000 0.000 2.127 92 I HA -0.299 3.870 4.170 -0.000 0.000 0.241 92 I C 2.576 178.695 176.117 0.004 0.000 1.075 92 I CA 1.379 62.679 61.300 -0.000 0.000 1.334 92 I CB -0.354 37.644 38.000 -0.004 0.000 1.040 92 I HN 0.260 nan 8.210 nan 0.000 0.405 93 M N -0.185 119.419 119.600 0.007 0.000 2.229 93 M HA -0.192 4.288 4.480 -0.000 0.000 0.264 93 M C 1.879 178.188 176.300 0.014 0.000 1.063 93 M CA 1.534 56.842 55.300 0.013 0.000 1.114 93 M CB -1.338 31.272 32.600 0.017 0.000 1.387 93 M HN 0.226 nan 8.290 nan 0.000 0.420 94 D N 0.406 120.812 120.400 0.011 0.000 2.144 94 D HA -0.143 4.497 4.640 -0.000 0.000 0.200 94 D C 1.776 178.081 176.300 0.007 0.000 0.978 94 D CA 1.339 55.345 54.000 0.011 0.000 0.833 94 D CB 0.192 40.997 40.800 0.009 0.000 0.961 94 D HN 0.430 nan 8.370 nan 0.000 0.470 95 E N -0.254 119.950 120.200 0.006 0.000 2.107 95 E HA -0.014 4.336 4.350 -0.000 0.000 0.191 95 E C 2.141 178.744 176.600 0.006 0.000 0.982 95 E CA 0.745 57.148 56.400 0.005 0.000 0.809 95 E CB -0.108 29.595 29.700 0.004 0.000 0.756 95 E HN 0.318 nan 8.360 nan 0.000 0.459 96 A N 1.612 124.438 122.820 0.009 0.000 1.940 96 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 96 A C 2.405 179.995 177.584 0.010 0.000 1.176 96 A CA 1.734 53.779 52.037 0.013 0.000 0.631 96 A CB -0.705 18.304 19.000 0.016 0.000 0.814 96 A HN 0.297 nan 8.150 nan 0.000 0.446 97 A N -0.375 122.450 122.820 0.009 0.000 1.940 97 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 97 A C 2.237 179.812 177.584 -0.016 0.000 1.176 97 A CA 1.598 53.637 52.037 0.004 0.000 0.631 97 A CB -0.387 18.619 19.000 0.012 0.000 0.814 97 A HN 0.569 nan 8.150 nan 0.000 0.446 98 R N -1.027 119.464 120.500 -0.015 0.000 2.246 98 R HA 0.202 4.542 4.340 -0.000 0.000 0.199 98 R C 2.235 178.518 176.300 -0.028 0.000 0.984 98 R CA 0.671 56.755 56.100 -0.026 0.000 1.015 98 R CB -0.200 30.090 30.300 -0.017 0.000 0.930 98 R HN 0.478 nan 8.270 nan 0.000 0.475 99 A N 0.915 123.728 122.820 -0.011 0.000 2.015 99 A HA 0.001 4.321 4.320 -0.000 0.000 0.219 99 A C 0.950 178.524 177.584 -0.016 0.000 1.163 99 A CA 0.844 52.886 52.037 0.009 0.000 0.646 99 A CB 0.305 19.328 19.000 0.037 0.000 0.806 99 A HN 0.124 nan 8.150 nan 0.000 0.448 100 V N -1.785 118.090 119.914 -0.065 0.000 2.969 100 V HA 0.625 4.745 4.120 -0.000 0.000 0.304 100 V C -0.512 175.481 176.094 -0.169 0.000 1.192 100 V CA -0.591 61.613 62.300 -0.161 0.000 0.962 100 V CB 1.632 33.361 31.823 -0.157 0.000 1.045 100 V HN 0.705 nan 8.190 nan 0.000 0.428 101 A N 4.372 127.042 122.820 -0.250 0.000 2.388 101 A HA 0.717 5.037 4.320 -0.000 0.000 0.257 101 A C 0.367 177.757 177.584 -0.323 0.000 1.095 101 A CA 1.155 52.954 52.037 -0.395 0.000 0.791 101 A CB -0.436 18.235 19.000 -0.549 0.000 1.029 101 A HN 1.688 nan 8.150 nan 0.000 0.489 102 H N -0.303 118.754 119.070 -0.022 0.000 1.452 102 H HA -0.246 4.310 4.556 -0.000 0.000 0.090 102 H C 0.779 176.130 175.328 0.039 0.000 2.395 102 H CA 0.558 56.613 56.048 0.011 0.000 1.901 102 H CB -1.379 28.387 29.762 0.007 0.000 2.257 102 H HN 1.468 nan 8.280 nan 0.000 0.961 103 C N 0.393 119.829 119.300 0.227 0.000 4.167 103 C HA -0.201 4.259 4.460 -0.000 0.000 0.302 103 C C 2.179 177.253 174.990 0.140 0.000 1.384 103 C CA 1.213 60.321 59.018 0.150 0.000 2.041 103 C CB -3.002 24.795 27.740 0.096 0.000 1.303 103 C HN 0.964 nan 8.230 nan 0.000 0.718 104 T N -2.375 112.291 114.554 0.186 0.000 2.929 104 T HA -0.153 4.197 4.350 -0.000 0.000 0.271 104 T C 1.159 175.936 174.700 0.128 0.000 1.085 104 T CA 1.850 64.052 62.100 0.169 0.000 1.125 104 T CB 0.007 69.027 68.868 0.254 0.000 0.874 104 T HN 0.747 nan 8.240 nan 0.000 0.494 105 E N 2.167 122.445 120.200 0.130 0.000 2.047 105 E HA 0.176 4.526 4.350 -0.000 0.000 0.191 105 E C 2.581 179.230 176.600 0.083 0.000 0.987 105 E CA 1.154 57.615 56.400 0.102 0.000 0.799 105 E CB -0.700 29.068 29.700 0.114 0.000 0.752 105 E HN 0.649 nan 8.360 nan 0.000 0.449 106 A N 1.255 124.124 122.820 0.082 0.000 1.933 106 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 106 A C 1.897 179.513 177.584 0.053 0.000 1.175 106 A CA 1.583 53.658 52.037 0.063 0.000 0.628 106 A CB -0.324 18.711 19.000 0.058 0.000 0.814 106 A HN 0.074 nan 8.150 nan 0.000 0.444 107 K N -0.251 120.185 120.400 0.060 0.000 2.097 107 K HA 0.008 4.328 4.320 -0.000 0.000 0.205 107 K C 2.229 178.858 176.600 0.048 0.000 1.050 107 K CA 1.052 57.370 56.287 0.051 0.000 0.938 107 K CB -0.270 32.265 32.500 0.058 0.000 0.718 107 K HN 0.435 nan 8.250 nan 0.000 0.442 108 A N 1.379 124.232 122.820 0.055 0.000 1.929 108 A HA -0.036 4.284 4.320 -0.000 0.000 0.216 108 A C 2.352 179.961 177.584 0.041 0.000 1.176 108 A CA 1.582 53.647 52.037 0.047 0.000 0.628 108 A CB -0.604 18.424 19.000 0.048 0.000 0.816 108 A HN 0.302 nan 8.150 nan 0.000 0.444 109 A N -0.353 122.495 122.820 0.046 0.000 1.902 109 A HA -0.038 4.282 4.320 -0.000 0.000 0.217 109 A C 2.112 179.720 177.584 0.040 0.000 1.181 109 A CA 1.732 53.798 52.037 0.049 0.000 0.623 109 A CB -0.594 18.443 19.000 0.062 0.000 0.818 109 A HN 0.678 nan 8.150 nan 0.000 0.443 110 L N 0.187 121.429 121.223 0.030 0.000 2.046 110 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 110 L C 1.874 178.752 176.870 0.013 0.000 1.077 110 L CA 2.755 57.605 54.840 0.016 0.000 0.747 110 L CB -0.735 41.331 42.059 0.012 0.000 0.896 110 L HN 0.428 nan 8.230 nan 0.000 0.432 111 D N -1.300 119.112 120.400 0.020 0.000 2.117 111 D HA -0.148 4.492 4.640 -0.000 0.000 0.197 111 D C 2.125 178.434 176.300 0.014 0.000 0.987 111 D CA 1.395 55.405 54.000 0.017 0.000 0.829 111 D CB 0.116 40.931 40.800 0.026 0.000 0.961 111 D HN 0.397 nan 8.370 nan 0.000 0.460 112 S N -0.264 115.448 115.700 0.021 0.000 2.368 112 S HA -0.125 4.345 4.470 -0.000 0.000 0.225 112 S C 2.099 176.710 174.600 0.018 0.000 1.030 112 S CA 1.107 59.319 58.200 0.021 0.000 0.999 112 S CB -0.437 62.782 63.200 0.032 0.000 0.844 112 S HN 0.442 nan 8.310 nan 0.000 0.459 113 A N 1.394 124.227 122.820 0.021 0.000 1.902 113 A HA 0.020 4.340 4.320 -0.000 0.000 0.217 113 A C 2.129 179.699 177.584 -0.023 0.000 1.181 113 A CA 1.102 53.141 52.037 0.003 0.000 0.623 113 A CB -0.717 18.277 19.000 -0.010 0.000 0.818 113 A HN 0.440 nan 8.150 nan 0.000 0.443 114 L N -0.811 120.400 121.223 -0.019 0.000 2.083 114 L HA -0.155 4.185 4.340 -0.000 0.000 0.209 114 L C 2.535 179.386 176.870 -0.031 0.000 1.083 114 L CA 0.941 55.765 54.840 -0.026 0.000 0.752 114 L CB -0.428 41.621 42.059 -0.018 0.000 0.899 114 L HN 0.369 nan 8.230 nan 0.000 0.433 115 L N -0.626 120.579 121.223 -0.029 0.000 2.072 115 L HA -0.204 4.136 4.340 -0.000 0.000 0.205 115 L C 2.264 179.092 176.870 -0.070 0.000 1.079 115 L CA 1.118 55.929 54.840 -0.048 0.000 0.752 115 L CB -0.459 41.574 42.059 -0.043 0.000 0.906 115 L HN 0.257 nan 8.230 nan 0.000 0.436 116 D N 0.158 120.527 120.400 -0.053 0.000 2.117 116 D HA -0.216 4.424 4.640 -0.000 0.000 0.197 116 D C 2.068 178.341 176.300 -0.044 0.000 0.987 116 D CA 1.089 55.061 54.000 -0.047 0.000 0.829 116 D CB 0.059 40.868 40.800 0.015 0.000 0.961 116 D HN 0.063 nan 8.370 nan 0.000 0.460 117 L N 0.612 121.809 121.223 -0.043 0.000 2.017 117 L HA 0.007 4.347 4.340 -0.000 0.000 0.208 117 L C 2.233 179.074 176.870 -0.049 0.000 1.073 117 L CA 2.252 57.064 54.840 -0.047 0.000 0.745 117 L CB -1.164 40.862 42.059 -0.055 0.000 0.894 117 L HN 0.077 nan 8.230 nan 0.000 0.432 118 A N -0.803 121.985 122.820 -0.052 0.000 1.972 118 A HA -0.059 4.261 4.320 -0.000 0.000 0.219 118 A C 2.301 179.843 177.584 -0.070 0.000 1.169 118 A CA 1.482 53.486 52.037 -0.054 0.000 0.635 118 A CB -1.456 17.514 19.000 -0.051 0.000 0.810 118 A HN 0.545 nan 8.150 nan 0.000 0.446 119 G N -0.712 108.035 108.800 -0.089 0.000 2.408 119 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.217 119 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.217 119 G C 1.692 176.539 174.900 -0.088 0.000 1.150 119 G CA 0.571 45.600 45.100 -0.118 0.000 0.776 119 G HN 0.404 nan 8.290 nan 0.000 0.542 120 R N 0.284 120.748 120.500 -0.061 0.000 2.073 120 R HA 0.023 4.362 4.340 -0.000 0.000 0.234 120 R C 2.501 178.780 176.300 -0.036 0.000 1.134 120 R CA 0.623 56.701 56.100 -0.038 0.000 0.952 120 R CB -0.835 29.454 30.300 -0.019 0.000 0.850 120 R HN 0.304 nan 8.270 nan 0.000 0.433 121 I N 1.340 121.887 120.570 -0.039 0.000 2.127 121 I HA -0.224 3.946 4.170 -0.000 0.000 0.241 121 I C 2.225 178.320 176.117 -0.036 0.000 1.075 121 I CA 1.924 63.204 61.300 -0.033 0.000 1.334 121 I CB -1.336 36.644 38.000 -0.034 0.000 1.040 121 I HN 0.162 nan 8.210 nan 0.000 0.405 122 S N 0.205 115.876 115.700 -0.047 0.000 2.593 122 S HA -0.027 4.443 4.470 -0.000 0.000 0.217 122 S C 0.905 175.471 174.600 -0.057 0.000 0.966 122 S CA 0.383 58.553 58.200 -0.050 0.000 0.914 122 S CB -0.618 62.547 63.200 -0.058 0.000 0.776 122 S HN 0.541 nan 8.310 nan 0.000 0.523 123 N N 0.227 118.891 118.700 -0.060 0.000 2.756 123 N HA -0.133 4.607 4.740 -0.000 0.000 0.248 123 N C -1.048 174.406 175.510 -0.093 0.000 1.062 123 N CA 0.562 53.575 53.050 -0.060 0.000 0.696 123 N CB -1.866 36.597 38.487 -0.039 0.000 0.946 123 N HN 0.671 nan 8.380 nan 0.000 0.548 124 L N -0.263 120.878 121.223 -0.137 0.000 2.371 124 L HA 0.710 5.050 4.340 -0.000 0.000 0.262 124 L C -2.088 174.598 176.870 -0.308 0.000 1.006 124 L CA -1.925 52.780 54.840 -0.227 0.000 0.818 124 L CB 2.331 44.251 42.059 -0.231 0.000 1.354 124 L HN -0.044 nan 8.230 nan 0.000 0.415 125 P HA 0.096 nan 4.420 nan 0.000 0.276 125 P C 0.771 177.679 177.300 -0.652 0.000 1.244 125 P CA -0.368 62.401 63.100 -0.551 0.000 0.801 125 P CB 1.587 32.878 31.700 -0.682 0.000 1.006 126 V N 1.859 121.362 119.914 -0.685 0.000 2.380 126 V HA -0.226 3.894 4.120 -0.000 0.000 0.251 126 V C 2.378 178.375 176.094 -0.163 0.000 1.063 126 V CA 2.220 64.240 62.300 -0.467 0.000 1.055 126 V CB -1.523 29.965 31.823 -0.558 0.000 0.657 126 V HN 0.730 nan 8.190 nan 0.000 0.455 127 W N 0.816 122.205 121.300 0.149 0.000 2.364 127 W HA -0.118 4.542 4.660 -0.000 0.000 0.281 127 W C 2.188 178.763 176.519 0.093 0.000 1.219 127 W CA 0.944 58.403 57.345 0.190 0.000 1.220 127 W CB -1.077 28.536 29.460 0.255 0.000 1.127 127 W HN 0.290 nan 8.180 nan 0.000 0.556 128 A N 1.141 123.781 122.820 -0.300 0.000 2.067 128 A HA -0.039 4.281 4.320 -0.000 0.000 0.219 128 A C 1.912 179.465 177.584 -0.051 0.000 1.158 128 A CA 1.151 53.047 52.037 -0.236 0.000 0.661 128 A CB -0.590 18.032 19.000 -0.631 0.000 0.801 128 A HN 0.212 nan 8.150 nan 0.000 0.452 129 L N -0.944 120.238 121.223 -0.068 0.000 2.592 129 L HA 0.260 4.599 4.340 -0.000 0.000 0.227 129 L C 1.255 178.146 176.870 0.035 0.000 1.127 129 L CA 0.847 55.671 54.840 -0.027 0.000 0.884 129 L CB -0.166 41.855 42.059 -0.063 0.000 1.065 129 L HN 0.337 nan 8.230 nan 0.000 0.457 130 L N -1.568 119.712 121.223 0.095 0.000 2.857 130 L HA 0.430 4.770 4.340 -0.000 0.000 0.249 130 L C 1.189 178.138 176.870 0.133 0.000 1.172 130 L CA 0.490 55.400 54.840 0.117 0.000 0.980 130 L CB 0.250 42.400 42.059 0.152 0.000 1.299 130 L HN 0.348 nan 8.230 nan 0.000 0.535 131 G N -0.700 108.185 108.800 0.141 0.000 2.211 131 G HA2 0.023 3.983 3.960 -0.000 0.000 0.201 131 G HA3 0.023 3.983 3.960 -0.000 0.000 0.201 131 G C 0.527 175.538 174.900 0.185 0.000 0.997 131 G CA -0.261 44.920 45.100 0.134 0.000 0.652 131 G HN 0.782 nan 8.290 nan 0.000 0.500 132 G N -0.431 108.560 108.800 0.318 0.000 2.483 132 G HA2 0.438 4.398 3.960 -0.000 0.000 0.521 132 G HA3 0.438 4.398 3.960 -0.000 0.000 0.521 132 G C -0.375 174.683 174.900 0.263 0.000 1.278 132 G CA 0.394 45.755 45.100 0.436 0.000 0.965 132 G HN 1.593 nan 8.290 nan 0.000 0.504 133 K N -1.909 118.434 120.400 -0.094 0.000 2.340 133 K HA 0.746 5.066 4.320 -0.000 0.000 0.244 133 K C 0.865 177.342 176.600 -0.205 0.000 0.973 133 K CA -0.398 55.687 56.287 -0.337 0.000 0.828 133 K CB 1.862 33.769 32.500 -0.989 0.000 1.226 133 K HN 1.540 nan 8.250 nan 0.000 0.437 134 C N -0.686 118.517 119.300 -0.161 0.000 3.491 134 C HA 0.385 4.845 4.460 -0.000 0.000 0.298 134 C C -0.007 174.918 174.990 -0.109 0.000 1.424 134 C CA -0.564 58.394 59.018 -0.101 0.000 1.772 134 C CB -0.759 26.952 27.740 -0.047 0.000 2.447 134 C HN 0.967 nan 8.230 nan 0.000 0.670 135 R N -0.022 120.384 120.500 -0.156 0.000 2.643 135 R HA 0.517 4.857 4.340 -0.000 0.000 0.269 135 R C -1.162 175.028 176.300 -0.184 0.000 1.037 135 R CA -0.445 55.576 56.100 -0.132 0.000 0.894 135 R CB 0.733 30.984 30.300 -0.082 0.000 1.238 135 R HN -0.099 nan 8.270 nan 0.000 0.459 136 D N 0.687 121.003 120.400 -0.141 0.000 2.366 136 D HA 0.028 4.668 4.640 -0.000 0.000 0.205 136 D C 0.200 176.438 176.300 -0.103 0.000 1.022 136 D CA 1.191 55.105 54.000 -0.143 0.000 0.868 136 D CB 0.890 41.627 40.800 -0.105 0.000 0.953 136 D HN 0.722 nan 8.370 nan 0.000 0.514 137 T N -1.804 112.704 114.554 -0.077 0.000 2.841 137 T HA 0.717 5.066 4.350 -0.000 0.000 0.296 137 T C -0.698 173.982 174.700 -0.033 0.000 1.166 137 T CA -0.850 61.218 62.100 -0.053 0.000 1.007 137 T CB 2.128 70.971 68.868 -0.041 0.000 1.253 137 T HN -0.112 nan 8.240 nan 0.000 0.511 138 I N 0.933 121.495 120.570 -0.012 0.000 2.534 138 I HA 0.420 4.590 4.170 -0.000 0.000 0.288 138 I C -2.858 173.263 176.117 0.007 0.000 1.077 138 I CA -2.794 58.507 61.300 0.003 0.000 1.051 138 I CB 2.718 40.734 38.000 0.027 0.000 1.234 138 I HN 0.392 nan 8.210 nan 0.000 0.425 139 P HA 0.071 nan 4.420 nan 0.000 0.267 139 P C -0.817 176.490 177.300 0.011 0.000 1.205 139 P CA -0.142 62.968 63.100 0.017 0.000 0.765 139 P CB 0.528 32.243 31.700 0.024 0.000 0.828 140 L N 3.427 124.665 121.223 0.026 0.000 2.307 140 L HA 0.576 4.916 4.340 -0.000 0.000 0.282 140 L C -0.030 176.845 176.870 0.008 0.000 1.051 140 L CA 0.044 54.902 54.840 0.030 0.000 0.804 140 L CB 1.377 43.494 42.059 0.097 0.000 1.197 140 L HN 0.222 nan 8.230 nan 0.000 0.431 141 S N 4.403 120.098 115.700 -0.009 0.000 2.482 141 S HA 0.598 5.068 4.470 -0.000 0.000 0.303 141 S C -0.923 173.594 174.600 -0.138 0.000 1.091 141 S CA -0.630 57.525 58.200 -0.075 0.000 1.057 141 S CB 0.927 64.126 63.200 -0.000 0.000 1.031 141 S HN 0.899 nan 8.310 nan 0.000 0.485 142 C N 4.002 123.085 119.300 -0.362 0.000 2.382 142 C HA 0.780 5.240 4.460 -0.000 0.000 0.327 142 C C 0.441 174.944 174.990 -0.812 0.000 1.250 142 C CA -0.339 58.261 59.018 -0.695 0.000 1.707 142 C CB 0.627 27.981 27.740 -0.643 0.000 2.272 142 C HN 0.939 nan 8.230 nan 0.000 0.506 143 S N 4.626 119.594 115.700 -1.220 0.000 2.584 143 S HA 0.571 5.041 4.470 -0.000 0.000 0.273 143 S C -0.348 173.961 174.600 -0.485 0.000 1.311 143 S CA -0.320 57.474 58.200 -0.677 0.000 1.034 143 S CB 0.547 63.453 63.200 -0.492 0.000 0.939 143 S HN 0.615 nan 8.310 nan 0.000 0.513 144 I N 2.543 122.939 120.570 -0.291 0.000 2.437 144 I HA 0.389 4.559 4.170 -0.000 0.000 0.279 144 I C 0.415 176.518 176.117 -0.022 0.000 1.028 144 I CA -0.311 60.894 61.300 -0.159 0.000 1.142 144 I CB 0.433 38.339 38.000 -0.157 0.000 1.266 144 I HN 0.774 nan 8.210 nan 0.000 0.461 145 A N 4.767 127.600 122.820 0.023 0.000 2.661 145 A HA 0.194 4.514 4.320 -0.000 0.000 0.278 145 A C 0.471 178.097 177.584 0.070 0.000 1.090 145 A CA -0.309 51.762 52.037 0.057 0.000 0.969 145 A CB 0.078 19.037 19.000 -0.068 0.000 1.240 145 A HN 0.550 nan 8.150 nan 0.000 0.578 146 N N 1.269 120.079 118.700 0.184 0.000 2.497 146 N HA 0.202 4.942 4.740 -0.000 0.000 0.268 146 N C -1.915 173.833 175.510 0.396 0.000 1.171 146 N CA -1.419 51.758 53.050 0.211 0.000 0.948 146 N CB 1.484 40.083 38.487 0.187 0.000 1.069 146 N HN -0.059 nan 8.380 nan 0.000 0.460 147 P HA -0.087 nan 4.420 nan 0.000 0.218 147 P C -0.386 177.115 177.300 0.336 0.000 1.148 147 P CA 1.136 64.447 63.100 0.352 0.000 0.822 147 P CB 0.179 31.986 31.700 0.179 0.000 0.784 148 D N -1.044 119.527 120.400 0.285 0.000 2.441 148 D HA 0.018 4.658 4.640 -0.000 0.000 0.221 148 D C 0.558 177.056 176.300 0.331 0.000 1.156 148 D CA -0.635 53.523 54.000 0.263 0.000 0.896 148 D CB -0.510 40.384 40.800 0.156 0.000 1.028 148 D HN -0.139 nan 8.370 nan 0.000 0.509 149 F N 2.903 123.001 119.950 0.247 0.000 2.269 149 F HA -0.120 4.407 4.527 -0.000 0.000 0.301 149 F C 1.467 177.313 175.800 0.077 0.000 1.082 149 F CA 1.148 59.235 58.000 0.145 0.000 1.360 149 F CB 0.170 39.221 39.000 0.084 0.000 1.041 149 F HN 0.364 nan 8.300 nan 0.000 0.512 150 D N 0.189 120.609 120.400 0.034 0.000 2.144 150 D HA -0.137 4.503 4.640 -0.000 0.000 0.199 150 D C 2.407 178.649 176.300 -0.096 0.000 0.984 150 D CA 1.327 55.279 54.000 -0.079 0.000 0.834 150 D CB -0.480 40.332 40.800 0.020 0.000 0.955 150 D HN 0.367 nan 8.370 nan 0.000 0.465 151 A N 1.046 123.853 122.820 -0.021 0.000 1.972 151 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 151 A C 1.817 179.360 177.584 -0.068 0.000 1.169 151 A CA 1.455 53.486 52.037 -0.010 0.000 0.635 151 A CB -0.218 18.809 19.000 0.046 0.000 0.810 151 A HN -0.002 nan 8.150 nan 0.000 0.446 152 D N -0.360 119.963 120.400 -0.128 0.000 2.269 152 D HA -0.002 4.638 4.640 -0.000 0.000 0.208 152 D C 1.756 177.824 176.300 -0.387 0.000 0.963 152 D CA 0.586 54.459 54.000 -0.213 0.000 0.864 152 D CB -0.151 40.573 40.800 -0.127 0.000 0.936 152 D HN 0.525 nan 8.370 nan 0.000 0.505 153 I N 0.765 121.055 120.570 -0.467 0.000 2.286 153 I HA -0.201 3.969 4.170 -0.000 0.000 0.245 153 I C 2.388 178.416 176.117 -0.148 0.000 1.104 153 I CA 0.741 61.820 61.300 -0.369 0.000 1.397 153 I CB -0.080 37.760 38.000 -0.266 0.000 1.072 153 I HN -0.082 nan 8.210 nan 0.000 0.417 154 A N 0.715 123.476 122.820 -0.098 0.000 1.933 154 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 154 A C 2.233 179.795 177.584 -0.037 0.000 1.175 154 A CA 1.467 53.490 52.037 -0.023 0.000 0.628 154 A CB -0.721 18.275 19.000 -0.007 0.000 0.814 154 A HN 0.389 nan 8.150 nan 0.000 0.444 155 L N -0.652 120.515 121.223 -0.093 0.000 2.056 155 L HA -0.076 4.264 4.340 -0.000 0.000 0.207 155 L C 2.400 179.160 176.870 -0.184 0.000 1.078 155 L CA 2.072 56.846 54.840 -0.110 0.000 0.749 155 L CB -0.527 41.453 42.059 -0.131 0.000 0.901 155 L HN 0.425 nan 8.230 nan 0.000 0.433 156 M N -0.958 118.461 119.600 -0.301 0.000 2.213 156 M HA -0.156 4.324 4.480 -0.000 0.000 0.263 156 M C 2.033 178.308 176.300 -0.042 0.000 1.062 156 M CA 1.367 56.442 55.300 -0.375 0.000 1.105 156 M CB -0.353 31.633 32.600 -1.023 0.000 1.385 156 M HN 0.297 nan 8.290 nan 0.000 0.417 157 E N -0.041 120.208 120.200 0.082 0.000 2.106 157 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 157 E C 1.990 178.676 176.600 0.143 0.000 0.984 157 E CA 0.984 57.535 56.400 0.252 0.000 0.806 157 E CB -0.314 29.503 29.700 0.196 0.000 0.750 157 E HN 0.517 nan 8.360 nan 0.000 0.458 158 R N 0.949 121.498 120.500 0.083 0.000 2.066 158 R HA -0.074 4.266 4.340 -0.000 0.000 0.232 158 R C 2.580 178.937 176.300 0.095 0.000 1.131 158 R CA 0.744 56.901 56.100 0.095 0.000 0.955 158 R CB -0.203 30.160 30.300 0.105 0.000 0.851 158 R HN 0.100 nan 8.270 nan 0.000 0.432 159 L N 0.337 121.564 121.223 0.006 0.000 2.042 159 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 159 L C 2.912 179.896 176.870 0.190 0.000 1.076 159 L CA 1.749 56.581 54.840 -0.013 0.000 0.749 159 L CB -0.504 41.446 42.059 -0.182 0.000 0.893 159 L HN 0.273 nan 8.230 nan 0.000 0.432 160 R N 0.308 120.965 120.500 0.262 0.000 2.081 160 R HA -0.173 4.167 4.340 -0.000 0.000 0.235 160 R C 2.332 178.685 176.300 0.089 0.000 1.131 160 R CA 1.468 57.650 56.100 0.137 0.000 0.960 160 R CB -0.266 30.060 30.300 0.045 0.000 0.856 160 R HN 0.332 nan 8.270 nan 0.000 0.436 161 A N 0.845 123.723 122.820 0.097 0.000 1.933 161 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 161 A C 1.428 179.063 177.584 0.086 0.000 1.175 161 A CA 1.788 53.871 52.037 0.076 0.000 0.628 161 A CB -0.341 18.705 19.000 0.077 0.000 0.814 161 A HN 0.397 nan 8.150 nan 0.000 0.444 162 D N -1.351 119.121 120.400 0.121 0.000 2.363 162 D HA 0.210 4.850 4.640 -0.000 0.000 0.220 162 D C 1.421 177.790 176.300 0.115 0.000 0.994 162 D CA 1.199 55.281 54.000 0.136 0.000 0.890 162 D CB -0.013 40.922 40.800 0.225 0.000 0.906 162 D HN 0.630 nan 8.370 nan 0.000 0.530 163 G N 0.070 108.933 108.800 0.105 0.000 2.157 163 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.239 163 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.239 163 G C 0.371 175.339 174.900 0.113 0.000 0.982 163 G CA 0.123 45.276 45.100 0.088 0.000 0.650 163 G HN 0.280 nan 8.290 nan 0.000 0.527 164 V N 0.857 120.860 119.914 0.149 0.000 2.529 164 V HA 0.481 4.601 4.120 -0.000 0.000 0.292 164 V C 1.622 177.854 176.094 0.230 0.000 1.028 164 V CA 1.341 63.722 62.300 0.135 0.000 1.074 164 V CB 1.379 33.231 31.823 0.048 0.000 0.958 164 V HN 0.675 nan 8.190 nan 0.000 0.481 165 G N 5.289 114.185 108.800 0.161 0.000 3.159 165 G HA2 0.387 4.347 3.960 -0.000 0.000 0.232 165 G HA3 0.387 4.347 3.960 -0.000 0.000 0.232 165 G C 0.009 175.017 174.900 0.179 0.000 1.116 165 G CA -0.105 45.128 45.100 0.222 0.000 0.767 165 G HN 0.501 nan 8.290 nan 0.000 0.547 166 L N 1.179 122.409 121.223 0.012 0.000 2.408 166 L HA 0.686 5.026 4.340 -0.000 0.000 0.268 166 L C -0.644 176.025 176.870 -0.336 0.000 0.986 166 L CA -1.231 53.538 54.840 -0.117 0.000 0.820 166 L CB 2.367 44.378 42.059 -0.080 0.000 1.303 166 L HN 0.114 nan 8.230 nan 0.000 0.411 167 I N -0.647 119.677 120.570 -0.409 0.000 2.865 167 I HA 0.633 4.803 4.170 -0.000 0.000 0.302 167 I C -1.221 174.666 176.117 -0.384 0.000 1.140 167 I CA -0.849 60.144 61.300 -0.512 0.000 1.021 167 I CB 2.497 40.054 38.000 -0.739 0.000 1.233 167 I HN 0.531 nan 8.210 nan 0.000 0.427 168 K N 4.023 124.209 120.400 -0.358 0.000 2.502 168 K HA 0.499 4.819 4.320 -0.000 0.000 0.254 168 K C -1.683 174.763 176.600 -0.257 0.000 0.947 168 K CA -0.760 55.349 56.287 -0.296 0.000 0.834 168 K CB 2.006 34.380 32.500 -0.210 0.000 1.112 168 K HN 0.706 nan 8.250 nan 0.000 0.427 169 L N 4.503 125.580 121.223 -0.243 0.000 2.313 169 L HA 0.235 4.575 4.340 -0.000 0.000 0.282 169 L C -0.270 176.509 176.870 -0.152 0.000 1.092 169 L CA 0.299 55.019 54.840 -0.201 0.000 0.831 169 L CB 0.575 42.486 42.059 -0.247 0.000 1.159 169 L HN 0.517 nan 8.230 nan 0.000 0.442 170 K N 4.024 124.398 120.400 -0.043 0.000 2.310 170 K HA 0.308 4.628 4.320 -0.000 0.000 0.290 170 K C -0.473 176.219 176.600 0.154 0.000 1.077 170 K CA -0.193 56.132 56.287 0.062 0.000 0.922 170 K CB 0.248 32.814 32.500 0.111 0.000 1.057 170 K HN 0.820 nan 8.250 nan 0.000 0.479 171 T N 0.281 114.798 114.554 -0.061 0.000 2.949 171 T HA 0.556 4.906 4.350 -0.000 0.000 0.287 171 T C 0.926 175.650 174.700 0.039 0.000 1.034 171 T CA -0.137 61.841 62.100 -0.204 0.000 1.018 171 T CB 1.671 70.094 68.868 -0.742 0.000 1.135 171 T HN 0.731 nan 8.240 nan 0.000 0.532 172 G N 0.448 109.313 108.800 0.110 0.000 2.184 172 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.264 172 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.264 172 G C 0.354 175.406 174.900 0.253 0.000 0.975 172 G CA 0.586 45.877 45.100 0.319 0.000 0.642 172 G HN 1.201 nan 8.290 nan 0.000 0.536 173 F N -0.380 119.671 119.950 0.170 0.000 2.698 173 F HA 0.585 5.111 4.527 -0.000 0.000 0.295 173 F C 1.540 177.384 175.800 0.072 0.000 1.124 173 F CA -0.043 58.035 58.000 0.130 0.000 1.426 173 F CB -0.054 39.021 39.000 0.125 0.000 1.120 173 F HN 0.213 nan 8.300 nan 0.000 0.583 174 R N 0.713 120.952 120.500 -0.434 0.000 3.287 174 R HA 0.256 4.596 4.340 -0.000 0.000 0.221 174 R C -0.630 175.586 176.300 -0.139 0.000 1.684 174 R CA -0.398 55.501 56.100 -0.335 0.000 0.976 174 R CB 0.079 29.956 30.300 -0.705 0.000 2.102 174 R HN 0.177 nan 8.270 nan 0.000 0.541 175 D N -0.967 119.376 120.400 -0.094 0.000 2.387 175 D HA 0.016 4.656 4.640 -0.000 0.000 0.251 175 D C 0.805 177.147 176.300 0.069 0.000 1.141 175 D CA -0.251 53.758 54.000 0.015 0.000 0.987 175 D CB 0.367 41.180 40.800 0.022 0.000 1.116 175 D HN 0.471 nan 8.370 nan 0.000 0.491 176 H N 0.121 119.200 119.070 0.014 0.000 2.387 176 H HA -0.064 4.492 4.556 -0.000 0.000 0.299 176 H C 1.983 177.310 175.328 -0.002 0.000 1.099 176 H CA 2.481 58.542 56.048 0.021 0.000 1.315 176 H CB -0.402 29.380 29.762 0.033 0.000 1.380 176 H HN 0.486 nan 8.280 nan 0.000 0.513 177 A N -0.060 122.741 122.820 -0.032 0.000 1.940 177 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 177 A C 2.304 179.815 177.584 -0.123 0.000 1.176 177 A CA 1.565 53.547 52.037 -0.090 0.000 0.631 177 A CB -1.249 17.752 19.000 0.002 0.000 0.814 177 A HN 0.558 nan 8.150 nan 0.000 0.446 178 F N 1.162 120.966 119.950 -0.243 0.000 2.216 178 F HA -0.141 4.386 4.527 -0.000 0.000 0.300 178 F C 1.698 177.256 175.800 -0.402 0.000 1.085 178 F CA 1.800 59.617 58.000 -0.306 0.000 1.326 178 F CB -0.123 38.685 39.000 -0.319 0.000 1.027 178 F HN 0.247 nan 8.300 nan 0.000 0.497 179 D N 0.311 120.490 120.400 -0.368 0.000 2.097 179 D HA -0.144 4.496 4.640 -0.000 0.000 0.197 179 D C 2.503 178.447 176.300 -0.593 0.000 0.984 179 D CA 1.239 54.944 54.000 -0.492 0.000 0.826 179 D CB -0.258 40.342 40.800 -0.333 0.000 0.973 179 D HN 0.208 nan 8.370 nan 0.000 0.460 180 I N 1.300 121.532 120.570 -0.564 0.000 2.226 180 I HA -0.193 3.977 4.170 -0.000 0.000 0.245 180 I C 2.364 178.208 176.117 -0.455 0.000 1.100 180 I CA 0.745 61.731 61.300 -0.524 0.000 1.374 180 I CB -0.888 36.914 38.000 -0.330 0.000 1.057 180 I HN 0.104 nan 8.210 nan 0.000 0.413 181 M N 1.273 120.631 119.600 -0.404 0.000 2.080 181 M HA -0.240 4.240 4.480 -0.000 0.000 0.260 181 M C 2.393 178.398 176.300 -0.492 0.000 1.068 181 M CA 1.911 56.998 55.300 -0.355 0.000 1.109 181 M CB -0.617 31.789 32.600 -0.323 0.000 1.342 181 M HN 0.181 nan 8.290 nan 0.000 0.405 182 R N -0.180 119.832 120.500 -0.813 0.000 2.092 182 R HA -0.052 4.288 4.340 -0.000 0.000 0.231 182 R C 2.338 178.344 176.300 -0.491 0.000 1.119 182 R CA 1.226 56.751 56.100 -0.959 0.000 0.970 182 R CB -0.406 29.075 30.300 -1.365 0.000 0.864 182 R HN 0.419 nan 8.270 nan 0.000 0.440 183 L N 0.720 121.601 121.223 -0.570 0.000 2.093 183 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 183 L C 2.195 178.875 176.870 -0.317 0.000 1.085 183 L CA 1.416 55.910 54.840 -0.577 0.000 0.755 183 L CB -0.318 41.009 42.059 -1.220 0.000 0.904 183 L HN 0.253 nan 8.230 nan 0.000 0.435 184 E N 0.079 120.136 120.200 -0.238 0.000 2.047 184 E HA -0.252 4.098 4.350 -0.000 0.000 0.191 184 E C 2.226 178.860 176.600 0.057 0.000 0.987 184 E CA 1.082 57.509 56.400 0.045 0.000 0.799 184 E CB -0.182 29.558 29.700 0.066 0.000 0.752 184 E HN 0.387 nan 8.360 nan 0.000 0.449 185 L N 1.153 122.402 121.223 0.042 0.000 2.046 185 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 185 L C 2.276 179.281 176.870 0.225 0.000 1.077 185 L CA 1.180 56.114 54.840 0.155 0.000 0.747 185 L CB -0.088 42.145 42.059 0.291 0.000 0.896 185 L HN 0.113 nan 8.230 nan 0.000 0.432 186 I N -0.231 120.472 120.570 0.222 0.000 2.226 186 I HA -0.288 3.882 4.170 -0.000 0.000 0.245 186 I C 2.678 178.927 176.117 0.220 0.000 1.100 186 I CA 1.152 62.626 61.300 0.289 0.000 1.374 186 I CB -0.509 37.593 38.000 0.170 0.000 1.057 186 I HN 0.352 nan 8.210 nan 0.000 0.413 187 A N 0.418 123.322 122.820 0.139 0.000 1.972 187 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 187 A C 2.437 180.067 177.584 0.077 0.000 1.169 187 A CA 1.520 53.627 52.037 0.117 0.000 0.635 187 A CB -0.516 18.573 19.000 0.147 0.000 0.810 187 A HN 0.347 nan 8.150 nan 0.000 0.446 188 R N -0.651 119.894 120.500 0.073 0.000 2.052 188 R HA -0.083 4.257 4.340 -0.000 0.000 0.226 188 R C 0.983 177.258 176.300 -0.042 0.000 1.145 188 R CA 1.584 57.697 56.100 0.021 0.000 0.952 188 R CB -0.151 30.166 30.300 0.029 0.000 0.847 188 R HN 0.377 nan 8.270 nan 0.000 0.431 189 D N -0.911 119.457 120.400 -0.054 0.000 2.305 189 D HA -0.007 4.633 4.640 -0.000 0.000 0.206 189 D C -0.145 175.773 176.300 -0.637 0.000 0.974 189 D CA 0.815 54.625 54.000 -0.317 0.000 0.871 189 D CB 0.384 40.975 40.800 -0.348 0.000 0.947 189 D HN 0.160 nan 8.370 nan 0.000 0.516 190 F N 0.606 120.530 119.950 -0.043 0.000 2.577 190 F HA 0.247 4.774 4.527 -0.000 0.000 0.342 190 F C -1.625 174.087 175.800 -0.147 0.000 1.479 190 F CA -1.641 56.273 58.000 -0.143 0.000 1.110 190 F CB 1.459 40.451 39.000 -0.013 0.000 1.306 190 F HN -0.172 nan 8.300 nan 0.000 0.554 191 P HA -0.170 nan 4.420 nan 0.000 0.221 191 P C 0.804 178.070 177.300 -0.057 0.000 1.145 191 P CA 1.379 64.464 63.100 -0.024 0.000 0.795 191 P CB 0.420 32.091 31.700 -0.049 0.000 0.775 192 E N -0.466 119.632 120.200 -0.169 0.000 2.153 192 E HA -0.075 4.274 4.350 -0.000 0.000 0.194 192 E C 0.532 177.068 176.600 -0.105 0.000 0.988 192 E CA 0.675 56.961 56.400 -0.190 0.000 0.811 192 E CB -0.761 28.757 29.700 -0.304 0.000 0.746 192 E HN 0.283 nan 8.360 nan 0.000 0.466 193 F N 1.177 121.141 119.950 0.023 0.000 2.418 193 F HA 0.208 4.735 4.527 -0.000 0.000 0.341 193 F C 1.053 176.826 175.800 -0.044 0.000 1.120 193 F CA -0.388 57.598 58.000 -0.022 0.000 1.232 193 F CB 0.446 39.419 39.000 -0.046 0.000 1.175 193 F HN -0.290 nan 8.300 nan 0.000 0.569 194 R N 1.389 121.976 120.500 0.145 0.000 2.349 194 R HA 0.572 4.912 4.340 -0.000 0.000 0.299 194 R C -1.185 175.082 176.300 -0.054 0.000 1.027 194 R CA -0.705 55.404 56.100 0.016 0.000 0.958 194 R CB 1.422 31.705 30.300 -0.027 0.000 1.047 194 R HN 0.369 nan 8.270 nan 0.000 0.468 195 V N 4.138 123.993 119.914 -0.099 0.000 2.459 195 V HA 0.426 4.546 4.120 -0.000 0.000 0.295 195 V C -0.044 175.863 176.094 -0.313 0.000 1.029 195 V CA -0.833 61.359 62.300 -0.181 0.000 0.874 195 V CB 1.704 33.458 31.823 -0.115 0.000 0.985 195 V HN 0.666 nan 8.190 nan 0.000 0.438 196 R N 2.367 122.607 120.500 -0.434 0.000 2.828 196 R HA 0.868 5.208 4.340 -0.000 0.000 0.264 196 R C -1.174 174.878 176.300 -0.413 0.000 1.022 196 R CA -0.628 55.074 56.100 -0.664 0.000 1.021 196 R CB 2.067 31.704 30.300 -1.105 0.000 1.163 196 R HN 0.500 nan 8.270 nan 0.000 0.494 197 V N 0.664 120.384 119.914 -0.323 0.000 2.789 197 V HA 0.416 4.536 4.120 -0.000 0.000 0.311 197 V C -1.353 174.692 176.094 -0.081 0.000 1.073 197 V CA -0.664 61.512 62.300 -0.206 0.000 0.921 197 V CB 2.195 33.905 31.823 -0.188 0.000 1.009 197 V HN 0.662 nan 8.190 nan 0.000 0.426 198 D N 1.675 122.001 120.400 -0.124 0.000 2.736 198 D HA 0.357 4.997 4.640 -0.000 0.000 0.243 198 D C -0.395 175.882 176.300 -0.039 0.000 1.304 198 D CA -0.317 53.678 54.000 -0.008 0.000 0.934 198 D CB 1.573 42.395 40.800 0.037 0.000 1.382 198 D HN 0.459 nan 8.370 nan 0.000 0.571 199 Y N 2.250 122.601 120.300 0.085 0.000 2.523 199 Y HA 0.085 4.635 4.550 -0.000 0.000 0.279 199 Y C 0.742 176.733 175.900 0.151 0.000 1.139 199 Y CA -0.039 58.130 58.100 0.115 0.000 1.296 199 Y CB -0.060 38.450 38.460 0.084 0.000 1.045 199 Y HN 0.416 nan 8.280 nan 0.000 0.538 200 N N 1.495 120.347 118.700 0.253 0.000 2.705 200 N HA -0.310 4.430 4.740 -0.000 0.000 0.255 200 N C -0.262 175.390 175.510 0.237 0.000 1.008 200 N CA 1.122 54.315 53.050 0.238 0.000 0.742 200 N CB -1.400 37.320 38.487 0.388 0.000 0.906 200 N HN 0.449 nan 8.380 nan 0.000 0.541 201 Q N -4.063 115.816 119.800 0.131 0.000 2.439 201 Q HA -0.277 4.063 4.340 -0.000 0.000 0.247 201 Q C 1.406 177.518 176.000 0.186 0.000 0.899 201 Q CA 1.044 56.909 55.803 0.103 0.000 1.201 201 Q CB -1.769 26.987 28.738 0.030 0.000 1.608 201 Q HN 0.741 nan 8.270 nan 0.000 0.563 202 G N 0.054 109.007 108.800 0.255 0.000 2.534 202 G HA2 0.090 4.050 3.960 -0.000 0.000 0.217 202 G HA3 0.090 4.050 3.960 -0.000 0.000 0.217 202 G C 0.599 175.597 174.900 0.164 0.000 1.128 202 G CA 0.135 45.391 45.100 0.259 0.000 0.784 202 G HN 0.203 nan 8.290 nan 0.000 0.542 203 L N 0.967 122.222 121.223 0.054 0.000 2.334 203 L HA 0.383 4.723 4.340 -0.000 0.000 0.277 203 L C 0.025 176.885 176.870 -0.017 0.000 1.075 203 L CA -0.955 53.866 54.840 -0.033 0.000 0.804 203 L CB 1.206 43.134 42.059 -0.219 0.000 1.174 203 L HN 0.010 nan 8.230 nan 0.000 0.438 204 E N 1.694 121.888 120.200 -0.011 0.000 2.314 204 E HA 0.195 4.545 4.350 -0.000 0.000 0.262 204 E C 1.163 177.725 176.600 -0.064 0.000 1.093 204 E CA -0.353 56.046 56.400 -0.002 0.000 0.908 204 E CB 1.492 31.203 29.700 0.018 0.000 1.091 204 E HN 0.467 nan 8.360 nan 0.000 0.425 205 I N 0.886 121.410 120.570 -0.076 0.000 2.151 205 I HA -0.340 3.830 4.170 -0.000 0.000 0.243 205 I C 1.640 177.697 176.117 -0.099 0.000 1.080 205 I CA 1.835 63.053 61.300 -0.137 0.000 1.339 205 I CB -0.390 37.537 38.000 -0.122 0.000 1.039 205 I HN 0.475 nan 8.210 nan 0.000 0.409 206 D N 0.608 120.972 120.400 -0.060 0.000 2.378 206 D HA -0.209 4.431 4.640 -0.000 0.000 0.227 206 D C 1.360 177.622 176.300 -0.064 0.000 1.012 206 D CA 0.970 54.938 54.000 -0.053 0.000 0.905 206 D CB -0.399 40.383 40.800 -0.030 0.000 0.895 206 D HN 0.716 nan 8.370 nan 0.000 0.532 207 E N -0.969 119.183 120.200 -0.080 0.000 2.572 207 E HA 0.341 4.691 4.350 -0.000 0.000 0.220 207 E C 1.691 178.207 176.600 -0.141 0.000 0.945 207 E CA 0.062 56.403 56.400 -0.098 0.000 1.070 207 E CB 0.018 29.672 29.700 -0.076 0.000 1.090 207 E HN 0.111 nan 8.360 nan 0.000 0.506 208 A N 1.851 124.579 122.820 -0.153 0.000 1.851 208 A HA -0.143 4.176 4.320 -0.000 0.000 0.216 208 A C 2.395 179.873 177.584 -0.176 0.000 1.195 208 A CA 1.906 53.823 52.037 -0.199 0.000 0.622 208 A CB -0.980 17.902 19.000 -0.197 0.000 0.831 208 A HN 0.141 nan 8.150 nan 0.000 0.444 209 V N 1.296 121.130 119.914 -0.132 0.000 2.233 209 V HA -0.179 3.941 4.120 -0.000 0.000 0.247 209 V C 0.100 176.136 176.094 -0.096 0.000 1.050 209 V CA 2.566 64.805 62.300 -0.102 0.000 1.010 209 V CB -1.596 30.179 31.823 -0.080 0.000 0.637 209 V HN 0.517 nan 8.190 nan 0.000 0.444 210 P HA -0.167 nan 4.420 nan 0.000 0.217 210 P C 1.545 178.743 177.300 -0.169 0.000 1.150 210 P CA 1.493 64.522 63.100 -0.118 0.000 0.832 210 P CB -0.119 31.506 31.700 -0.124 0.000 0.787 211 R N -0.322 120.044 120.500 -0.224 0.000 2.073 211 R HA -0.018 4.322 4.340 -0.000 0.000 0.229 211 R C 2.462 178.779 176.300 0.027 0.000 1.120 211 R CA 0.970 56.923 56.100 -0.246 0.000 0.967 211 R CB -1.057 29.128 30.300 -0.192 0.000 0.862 211 R HN 0.064 nan 8.270 nan 0.000 0.436 212 V N 1.724 121.613 119.914 -0.042 0.000 2.343 212 V HA -0.232 3.888 4.120 -0.000 0.000 0.247 212 V C 2.345 178.489 176.094 0.084 0.000 1.051 212 V CA 1.634 63.958 62.300 0.041 0.000 1.036 212 V CB -0.406 31.387 31.823 -0.050 0.000 0.654 212 V HN 0.285 nan 8.190 nan 0.000 0.451 213 L N -0.411 120.831 121.223 0.031 0.000 2.042 213 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 213 L C 2.448 179.370 176.870 0.087 0.000 1.076 213 L CA 1.918 56.782 54.840 0.039 0.000 0.749 213 L CB -0.662 41.400 42.059 0.004 0.000 0.893 213 L HN 0.424 nan 8.230 nan 0.000 0.432 214 D N -0.354 120.121 120.400 0.125 0.000 2.097 214 D HA -0.146 4.494 4.640 -0.000 0.000 0.197 214 D C 2.213 178.708 176.300 0.324 0.000 0.984 214 D CA 1.279 55.412 54.000 0.222 0.000 0.826 214 D CB 0.316 41.317 40.800 0.334 0.000 0.973 214 D HN 0.093 nan 8.370 nan 0.000 0.460 215 V N 1.492 121.612 119.914 0.342 0.000 2.427 215 V HA -0.215 3.905 4.120 -0.000 0.000 0.248 215 V C 2.562 178.838 176.094 0.304 0.000 1.051 215 V CA 1.590 64.088 62.300 0.329 0.000 1.048 215 V CB -0.567 31.412 31.823 0.260 0.000 0.666 215 V HN 0.195 nan 8.190 nan 0.000 0.456 216 A N -0.924 122.018 122.820 0.203 0.000 2.024 216 A HA -0.243 4.077 4.320 -0.000 0.000 0.220 216 A C 2.108 179.751 177.584 0.100 0.000 1.164 216 A CA 1.360 53.476 52.037 0.132 0.000 0.643 216 A CB -0.384 18.667 19.000 0.085 0.000 0.806 216 A HN 0.539 nan 8.150 nan 0.000 0.451 217 Q N -1.258 118.591 119.800 0.082 0.000 2.291 217 Q HA -0.113 4.227 4.340 -0.000 0.000 0.206 217 Q C 1.063 176.949 176.000 -0.190 0.000 0.976 217 Q CA 1.041 56.798 55.803 -0.075 0.000 0.875 217 Q CB -0.364 28.279 28.738 -0.159 0.000 0.927 217 Q HN 0.815 nan 8.270 nan 0.000 0.450 218 F N 0.749 120.693 119.950 -0.011 0.000 2.797 218 F HA 0.043 4.570 4.527 -0.000 0.000 0.302 218 F C 0.557 176.338 175.800 -0.031 0.000 1.130 218 F CA 0.057 58.041 58.000 -0.026 0.000 1.387 218 F CB 0.093 39.067 39.000 -0.042 0.000 1.107 218 F HN 0.029 nan 8.300 nan 0.000 0.577 219 Q N 0.251 120.108 119.800 0.095 0.000 2.452 219 Q HA -0.188 4.152 4.340 -0.000 0.000 0.318 219 Q C -2.280 173.738 176.000 0.029 0.000 1.386 219 Q CA -0.296 55.534 55.803 0.045 0.000 0.872 219 Q CB -1.626 27.119 28.738 0.012 0.000 1.151 219 Q HN 0.243 nan 8.270 nan 0.000 0.417 220 P HA 0.017 nan 4.420 nan 0.000 0.274 220 P C 0.186 177.427 177.300 -0.098 0.000 1.246 220 P CA -0.213 62.849 63.100 -0.065 0.000 0.795 220 P CB 0.694 32.337 31.700 -0.094 0.000 1.006 221 D N -0.175 120.101 120.400 -0.206 0.000 2.182 221 D HA -0.037 4.603 4.640 -0.000 0.000 0.201 221 D C 0.664 176.920 176.300 -0.073 0.000 0.986 221 D CA 1.792 55.679 54.000 -0.187 0.000 0.847 221 D CB -0.302 40.314 40.800 -0.307 0.000 0.942 221 D HN 0.480 nan 8.370 nan 0.000 0.467 222 F N -2.146 117.743 119.950 -0.102 0.000 2.770 222 F HA 0.481 5.008 4.527 -0.000 0.000 0.313 222 F C -1.740 174.008 175.800 -0.086 0.000 1.154 222 F CA -1.570 56.372 58.000 -0.097 0.000 0.923 222 F CB 0.684 39.601 39.000 -0.139 0.000 1.301 222 F HN -0.348 nan 8.300 nan 0.000 0.449 223 I N 1.784 122.546 120.570 0.320 0.000 2.418 223 I HA 0.353 4.522 4.170 -0.000 0.000 0.287 223 I C -0.747 175.506 176.117 0.226 0.000 1.008 223 I CA -0.527 60.917 61.300 0.240 0.000 1.104 223 I CB 1.894 40.013 38.000 0.199 0.000 1.264 223 I HN 0.720 nan 8.210 nan 0.000 0.438 224 E N 5.273 125.609 120.200 0.227 0.000 2.197 224 E HA 0.161 4.511 4.350 -0.000 0.000 0.281 224 E C -0.342 176.329 176.600 0.119 0.000 0.995 224 E CA -0.742 55.720 56.400 0.104 0.000 0.808 224 E CB 0.987 30.747 29.700 0.100 0.000 1.093 224 E HN 0.445 nan 8.360 nan 0.000 0.394 225 Q N 3.773 123.590 119.800 0.028 0.000 2.394 225 Q HA -0.181 4.159 4.340 -0.000 0.000 0.369 225 Q C -2.180 173.862 176.000 0.069 0.000 1.312 225 Q CA 0.217 56.025 55.803 0.008 0.000 1.155 225 Q CB -0.262 28.455 28.738 -0.035 0.000 1.311 225 Q HN 0.464 nan 8.270 nan 0.000 0.315 226 P HA -0.116 nan 4.420 nan 0.000 0.218 226 P C 0.104 177.344 177.300 -0.101 0.000 1.149 226 P CA 1.583 64.618 63.100 -0.108 0.000 0.817 226 P CB 0.157 31.701 31.700 -0.260 0.000 0.785 227 V N -5.186 114.691 119.914 -0.062 0.000 3.158 227 V HA 0.542 4.662 4.120 -0.000 0.000 0.315 227 V C 0.094 176.206 176.094 0.030 0.000 1.148 227 V CA -1.613 60.676 62.300 -0.018 0.000 1.042 227 V CB 1.365 33.145 31.823 -0.071 0.000 1.101 227 V HN -0.304 nan 8.190 nan 0.000 0.448 228 R N 0.907 121.464 120.500 0.095 0.000 2.638 228 R HA 0.173 4.513 4.340 -0.000 0.000 0.268 228 R C 1.595 177.841 176.300 -0.089 0.000 1.006 228 R CA 0.640 56.747 56.100 0.011 0.000 1.088 228 R CB -0.127 30.152 30.300 -0.034 0.000 0.950 228 R HN 1.119 nan 8.270 nan 0.000 0.419 229 A N 3.039 125.844 122.820 -0.024 0.000 1.940 229 A HA -0.285 4.035 4.320 -0.000 0.000 0.221 229 A C 1.764 179.438 177.584 0.151 0.000 1.190 229 A CA 2.329 54.395 52.037 0.050 0.000 0.647 229 A CB -0.896 18.169 19.000 0.108 0.000 0.821 229 A HN 0.947 nan 8.150 nan 0.000 0.457 230 H N -2.867 116.254 119.070 0.085 0.000 2.559 230 H HA 0.041 4.597 4.556 0.000 0.000 0.273 230 H C 0.715 176.126 175.328 0.139 0.000 1.000 230 H CA 0.967 57.063 56.048 0.079 0.000 1.195 230 H CB -0.541 29.162 29.762 -0.098 0.000 1.368 230 H HN 0.542 nan 8.280 nan 0.000 0.592 231 H N 0.875 119.811 119.070 -0.224 0.000 2.966 231 H HA 0.010 4.566 4.556 -0.000 0.000 0.217 231 H C 0.229 175.613 175.328 0.094 0.000 1.906 231 H CA -0.290 55.698 56.048 -0.100 0.000 1.351 231 H CB -0.564 29.063 29.762 -0.224 0.000 1.722 231 H HN 0.389 nan 8.280 nan 0.000 0.562 232 F N 0.850 120.827 119.950 0.045 0.000 2.134 232 F HA -0.157 4.370 4.527 0.000 0.000 0.299 232 F C 2.211 178.023 175.800 0.019 0.000 1.097 232 F CA 1.080 59.094 58.000 0.025 0.000 1.264 232 F CB 0.033 39.047 39.000 0.024 0.000 1.001 232 F HN 0.380 nan 8.300 nan 0.000 0.479 233 E N -0.314 120.025 120.200 0.231 0.000 2.051 233 E HA -0.227 4.123 4.350 -0.000 0.000 0.192 233 E C 2.128 178.757 176.600 0.049 0.000 0.991 233 E CA 1.262 57.733 56.400 0.119 0.000 0.799 233 E CB -0.469 29.297 29.700 0.110 0.000 0.748 233 E HN 0.223 nan 8.360 nan 0.000 0.449 234 L N 0.588 121.832 121.223 0.034 0.000 2.093 234 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 234 L C 2.067 178.898 176.870 -0.063 0.000 1.085 234 L CA 1.542 56.348 54.840 -0.056 0.000 0.755 234 L CB -0.234 41.716 42.059 -0.182 0.000 0.904 234 L HN 0.148 nan 8.230 nan 0.000 0.435 235 M N -0.604 118.965 119.600 -0.052 0.000 2.117 235 M HA -0.162 4.318 4.480 -0.000 0.000 0.262 235 M C 2.395 178.646 176.300 -0.081 0.000 1.065 235 M CA 1.818 57.062 55.300 -0.092 0.000 1.114 235 M CB -1.429 31.077 32.600 -0.157 0.000 1.361 235 M HN 0.451 nan 8.290 nan 0.000 0.408 236 A N 0.047 122.832 122.820 -0.058 0.000 1.902 236 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 236 A C 2.293 179.853 177.584 -0.040 0.000 1.181 236 A CA 1.572 53.581 52.037 -0.047 0.000 0.623 236 A CB -0.599 18.389 19.000 -0.021 0.000 0.818 236 A HN 0.469 nan 8.150 nan 0.000 0.443 237 R N -0.694 119.784 120.500 -0.037 0.000 2.075 237 R HA -0.008 4.332 4.340 -0.000 0.000 0.232 237 R C 2.069 178.342 176.300 -0.044 0.000 1.126 237 R CA 1.357 57.435 56.100 -0.037 0.000 0.963 237 R CB -0.512 29.764 30.300 -0.039 0.000 0.858 237 R HN 0.508 nan 8.270 nan 0.000 0.435 238 L N 0.249 121.438 121.223 -0.056 0.000 2.083 238 L HA -0.175 4.165 4.340 -0.000 0.000 0.209 238 L C 2.790 179.635 176.870 -0.041 0.000 1.083 238 L CA 1.234 56.040 54.840 -0.056 0.000 0.752 238 L CB -0.424 41.591 42.059 -0.074 0.000 0.899 238 L HN 0.198 nan 8.230 nan 0.000 0.433 239 R N 0.455 120.928 120.500 -0.045 0.000 2.105 239 R HA -0.150 4.190 4.340 -0.000 0.000 0.239 239 R C 1.968 178.253 176.300 -0.025 0.000 1.135 239 R CA 1.506 57.584 56.100 -0.036 0.000 0.967 239 R CB -0.374 29.899 30.300 -0.046 0.000 0.861 239 R HN 0.384 nan 8.270 nan 0.000 0.442 240 G N -0.105 108.679 108.800 -0.026 0.000 2.920 240 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.208 240 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.208 240 G C 1.185 176.075 174.900 -0.017 0.000 1.159 240 G CA -0.187 44.901 45.100 -0.019 0.000 0.784 240 G HN 0.213 nan 8.290 nan 0.000 0.535 241 L N 0.414 121.626 121.223 -0.018 0.000 2.446 241 L HA 0.207 4.547 4.340 -0.000 0.000 0.219 241 L C 1.519 178.385 176.870 -0.008 0.000 1.116 241 L CA 0.955 55.785 54.840 -0.015 0.000 0.844 241 L CB -0.082 41.964 42.059 -0.022 0.000 0.970 241 L HN 0.358 nan 8.230 nan 0.000 0.457 242 T N -6.222 108.331 114.554 -0.002 0.000 2.787 242 T HA 0.249 4.599 4.350 -0.000 0.000 0.297 242 T C -0.301 174.402 174.700 0.006 0.000 1.221 242 T CA -0.716 61.386 62.100 0.004 0.000 1.006 242 T CB 2.087 70.964 68.868 0.016 0.000 1.328 242 T HN -0.181 nan 8.240 nan 0.000 0.509 243 D N 0.475 120.880 120.400 0.008 0.000 2.368 243 D HA 0.258 4.898 4.640 -0.000 0.000 0.218 243 D C 0.230 176.541 176.300 0.017 0.000 1.112 243 D CA 0.087 54.092 54.000 0.009 0.000 0.834 243 D CB 0.531 41.334 40.800 0.005 0.000 0.953 243 D HN 0.337 nan 8.370 nan 0.000 0.505 244 V N 2.607 122.536 119.914 0.026 0.000 2.530 244 V HA 0.157 4.277 4.120 -0.000 0.000 0.282 244 V C -2.003 174.120 176.094 0.048 0.000 1.048 244 V CA -1.466 60.858 62.300 0.040 0.000 0.997 244 V CB 1.249 33.103 31.823 0.052 0.000 0.987 244 V HN -0.093 nan 8.190 nan 0.000 0.477 245 P HA 0.095 nan 4.420 nan 0.000 0.264 245 P C -0.769 176.568 177.300 0.062 0.000 1.193 245 P CA -0.128 63.008 63.100 0.059 0.000 0.763 245 P CB 0.395 32.149 31.700 0.090 0.000 0.810 246 L N 5.166 126.392 121.223 0.005 0.000 2.280 246 L HA 0.359 4.699 4.340 -0.000 0.000 0.287 246 L C -1.036 175.778 176.870 -0.092 0.000 1.023 246 L CA -0.136 54.694 54.840 -0.017 0.000 0.819 246 L CB 0.346 42.386 42.059 -0.031 0.000 1.212 246 L HN 0.227 nan 8.230 nan 0.000 0.420 247 L N 4.837 125.972 121.223 -0.147 0.000 2.322 247 L HA 0.702 5.042 4.340 -0.000 0.000 0.279 247 L C 0.171 176.930 176.870 -0.185 0.000 1.036 247 L CA -0.763 53.922 54.840 -0.258 0.000 0.807 247 L CB 1.734 43.460 42.059 -0.555 0.000 1.226 247 L HN 0.769 nan 8.230 nan 0.000 0.433 248 A N 1.613 124.325 122.820 -0.180 0.000 2.309 248 A HA 0.393 4.713 4.320 -0.000 0.000 0.298 248 A C -0.219 177.286 177.584 -0.133 0.000 1.165 248 A CA -0.338 51.602 52.037 -0.163 0.000 0.821 248 A CB 1.169 20.055 19.000 -0.190 0.000 1.102 248 A HN 0.809 nan 8.150 nan 0.000 0.500 249 D N 0.805 121.138 120.400 -0.110 0.000 3.074 249 D HA 0.017 4.657 4.640 -0.000 0.000 0.227 249 D C 1.234 177.486 176.300 -0.080 0.000 1.553 249 D CA 0.483 54.425 54.000 -0.097 0.000 1.347 249 D CB -0.217 40.528 40.800 -0.092 0.000 1.021 249 D HN 0.456 nan 8.370 nan 0.000 0.260 250 E N 0.229 120.369 120.200 -0.101 0.000 2.267 250 E HA -0.034 4.316 4.350 -0.000 0.000 0.197 250 E C 1.945 178.630 176.600 0.142 0.000 0.998 250 E CA 0.906 57.292 56.400 -0.023 0.000 0.830 250 E CB -0.050 29.532 29.700 -0.196 0.000 0.751 250 E HN 0.059 nan 8.360 nan 0.000 0.491 251 S N -0.369 115.358 115.700 0.045 0.000 2.481 251 S HA 0.004 4.474 4.470 -0.000 0.000 0.231 251 S C 0.392 175.108 174.600 0.194 0.000 0.996 251 S CA 0.334 58.584 58.200 0.083 0.000 0.942 251 S CB 0.383 63.423 63.200 -0.266 0.000 0.768 251 S HN -0.039 nan 8.310 nan 0.000 0.520 252 V N 1.645 121.655 119.914 0.160 0.000 2.409 252 V HA 0.357 4.477 4.120 -0.000 0.000 0.290 252 V C -0.467 175.777 176.094 0.250 0.000 1.017 252 V CA -0.675 61.742 62.300 0.195 0.000 0.841 252 V CB 1.300 33.163 31.823 0.067 0.000 1.003 252 V HN 0.194 nan 8.190 nan 0.000 0.426 253 Y N 3.404 123.743 120.300 0.065 0.000 2.265 253 Y HA 0.551 5.102 4.550 0.000 0.000 0.290 253 Y C 1.631 177.564 175.900 0.056 0.000 1.137 253 Y CA 0.910 59.047 58.100 0.061 0.000 1.147 253 Y CB -0.017 38.488 38.460 0.075 0.000 1.104 253 Y HN 0.646 nan 8.280 nan 0.000 0.514 254 G N -1.608 107.341 108.800 0.248 0.000 3.175 254 G HA2 0.351 4.311 3.960 -0.000 0.000 0.255 254 G HA3 0.351 4.311 3.960 -0.000 0.000 0.255 254 G C -2.116 172.852 174.900 0.113 0.000 1.352 254 G CA -1.224 43.966 45.100 0.150 0.000 1.037 254 G HN -0.164 nan 8.290 nan 0.000 0.556 255 P HA -0.094 nan 4.420 nan 0.000 0.216 255 P C 1.302 178.646 177.300 0.074 0.000 1.150 255 P CA 1.420 64.566 63.100 0.075 0.000 0.843 255 P CB 0.279 32.018 31.700 0.064 0.000 0.787 256 E N -0.614 119.628 120.200 0.071 0.000 2.051 256 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 256 E C 1.789 178.435 176.600 0.077 0.000 0.991 256 E CA 1.298 57.734 56.400 0.059 0.000 0.799 256 E CB -0.934 28.791 29.700 0.043 0.000 0.748 256 E HN 0.277 nan 8.360 nan 0.000 0.449 257 D N -0.184 120.280 120.400 0.108 0.000 2.144 257 D HA -0.131 4.509 4.640 -0.000 0.000 0.200 257 D C 1.843 178.243 176.300 0.166 0.000 0.978 257 D CA 0.849 54.948 54.000 0.165 0.000 0.833 257 D CB -0.172 40.757 40.800 0.215 0.000 0.961 257 D HN 0.093 nan 8.370 nan 0.000 0.470 258 M N 0.436 120.103 119.600 0.112 0.000 2.117 258 M HA -0.120 4.360 4.480 -0.000 0.000 0.262 258 M C 1.958 178.281 176.300 0.037 0.000 1.065 258 M CA 1.037 56.377 55.300 0.068 0.000 1.114 258 M CB -0.314 32.320 32.600 0.058 0.000 1.361 258 M HN -0.174 nan 8.290 nan 0.000 0.408 259 V N 0.099 120.046 119.914 0.055 0.000 2.343 259 V HA -0.286 3.834 4.120 -0.000 0.000 0.247 259 V C 2.572 178.703 176.094 0.062 0.000 1.051 259 V CA 2.284 64.608 62.300 0.041 0.000 1.036 259 V CB -0.879 30.978 31.823 0.057 0.000 0.654 259 V HN 0.539 nan 8.190 nan 0.000 0.451 260 R N 0.118 120.687 120.500 0.115 0.000 2.066 260 R HA -0.138 4.202 4.340 -0.000 0.000 0.232 260 R C 2.324 178.802 176.300 0.296 0.000 1.131 260 R CA 1.645 57.855 56.100 0.184 0.000 0.955 260 R CB -0.445 29.933 30.300 0.129 0.000 0.851 260 R HN 0.470 nan 8.270 nan 0.000 0.432 261 A N 0.895 123.900 122.820 0.309 0.000 1.908 261 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 261 A C 2.372 179.955 177.584 -0.001 0.000 1.181 261 A CA 1.805 53.936 52.037 0.157 0.000 0.627 261 A CB -0.783 18.212 19.000 -0.008 0.000 0.818 261 A HN 0.554 nan 8.150 nan 0.000 0.445 262 A N -1.019 121.743 122.820 -0.096 0.000 1.902 262 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 262 A C 2.050 179.552 177.584 -0.136 0.000 1.181 262 A CA 2.138 54.007 52.037 -0.281 0.000 0.623 262 A CB -0.897 17.571 19.000 -0.888 0.000 0.818 262 A HN 0.763 nan 8.150 nan 0.000 0.443 263 H N 0.118 119.120 119.070 -0.114 0.000 2.387 263 H HA -0.032 4.524 4.556 -0.000 0.000 0.299 263 H C 1.586 176.932 175.328 0.029 0.000 1.090 263 H CA 1.987 58.030 56.048 -0.009 0.000 1.332 263 H CB -0.079 29.697 29.762 0.023 0.000 1.386 263 H HN 0.592 nan 8.280 nan 0.000 0.516 264 E N -0.564 119.607 120.200 -0.050 0.000 2.489 264 E HA 0.106 4.456 4.350 -0.000 0.000 0.193 264 E C 0.768 177.335 176.600 -0.054 0.000 1.057 264 E CA 0.266 56.626 56.400 -0.067 0.000 0.866 264 E CB 0.285 30.078 29.700 0.155 0.000 0.916 264 E HN 0.658 nan 8.360 nan 0.000 0.500 265 G N 2.774 111.536 108.800 -0.063 0.000 2.366 265 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.299 265 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.299 265 G C 0.716 175.573 174.900 -0.071 0.000 1.020 265 G CA 0.705 45.768 45.100 -0.061 0.000 1.026 265 G HN 0.537 nan 8.290 nan 0.000 0.512 266 I N -2.596 117.910 120.570 -0.107 0.000 3.251 266 I HA 0.354 4.524 4.170 -0.000 0.000 0.277 266 I C 1.219 177.240 176.117 -0.159 0.000 1.268 266 I CA 0.332 61.534 61.300 -0.164 0.000 1.449 266 I CB -0.389 37.401 38.000 -0.350 0.000 1.083 266 I HN 0.634 nan 8.210 nan 0.000 0.464 267 C N -1.401 117.822 119.300 -0.130 0.000 3.332 267 C HA 0.511 4.971 4.460 -0.000 0.000 0.329 267 C C 0.331 175.274 174.990 -0.078 0.000 1.434 267 C CA -0.620 58.330 59.018 -0.114 0.000 1.314 267 C CB 1.780 29.433 27.740 -0.145 0.000 1.664 267 C HN 0.282 nan 8.230 nan 0.000 0.457 268 D N 0.131 120.488 120.400 -0.071 0.000 2.417 268 D HA 0.399 5.039 4.640 -0.000 0.000 0.207 268 D C 0.740 177.007 176.300 -0.056 0.000 1.075 268 D CA 1.234 55.207 54.000 -0.046 0.000 0.851 268 D CB 1.291 42.074 40.800 -0.028 0.000 0.976 268 D HN 1.080 nan 8.370 nan 0.000 0.505 269 G N -0.053 108.690 108.800 -0.095 0.000 2.495 269 G HA2 0.424 4.384 3.960 -0.000 0.000 0.294 269 G HA3 0.424 4.384 3.960 -0.000 0.000 0.294 269 G C -2.072 172.741 174.900 -0.145 0.000 1.397 269 G CA -0.405 44.630 45.100 -0.109 0.000 0.790 269 G HN 0.004 nan 8.290 nan 0.000 0.486 270 V N -0.571 119.266 119.914 -0.128 0.000 2.925 270 V HA 0.816 4.936 4.120 -0.000 0.000 0.311 270 V C -0.371 175.665 176.094 -0.096 0.000 1.104 270 V CA -0.325 61.905 62.300 -0.118 0.000 0.954 270 V CB 2.095 33.879 31.823 -0.065 0.000 1.022 270 V HN 1.334 nan 8.190 nan 0.000 0.427 271 S N 6.267 121.915 115.700 -0.086 0.000 2.430 271 S HA 0.610 5.080 4.470 -0.000 0.000 0.289 271 S C -0.503 174.069 174.600 -0.048 0.000 1.143 271 S CA -0.522 57.672 58.200 -0.010 0.000 1.067 271 S CB -0.028 63.181 63.200 0.016 0.000 0.964 271 S HN 0.555 nan 8.310 nan 0.000 0.485 272 I N 5.323 125.858 120.570 -0.059 0.000 2.359 272 I HA 0.446 4.616 4.170 -0.000 0.000 0.294 272 I C -0.080 176.001 176.117 -0.060 0.000 0.987 272 I CA -0.477 60.793 61.300 -0.050 0.000 1.225 272 I CB 1.402 39.388 38.000 -0.023 0.000 1.366 272 I HN 0.508 nan 8.210 nan 0.000 0.466 273 K N 6.267 126.638 120.400 -0.048 0.000 2.513 273 K HA 0.367 4.687 4.320 -0.000 0.000 0.251 273 K C 0.756 177.350 176.600 -0.009 0.000 0.939 273 K CA -0.608 55.661 56.287 -0.029 0.000 0.793 273 K CB 2.738 35.195 32.500 -0.073 0.000 1.241 273 K HN 0.606 nan 8.250 nan 0.000 0.431 274 I N -0.977 119.610 120.570 0.028 0.000 2.493 274 I HA -0.183 3.987 4.170 -0.000 0.000 0.254 274 I C 1.254 177.385 176.117 0.024 0.000 1.160 274 I CA 0.996 62.316 61.300 0.032 0.000 1.445 274 I CB -0.150 37.874 38.000 0.040 0.000 1.086 274 I HN 0.503 nan 8.210 nan 0.000 0.433 275 M N 1.457 121.063 119.600 0.010 0.000 2.374 275 M HA -0.053 4.427 4.480 -0.000 0.000 0.264 275 M C 1.957 178.253 176.300 -0.006 0.000 1.067 275 M CA 1.506 56.818 55.300 0.019 0.000 1.103 275 M CB -0.990 31.626 32.600 0.026 0.000 1.402 275 M HN 0.385 nan 8.290 nan 0.000 0.444 276 K N -0.172 120.167 120.400 -0.101 0.000 2.168 276 K HA 0.047 4.367 4.320 -0.000 0.000 0.201 276 K C 2.015 178.641 176.600 0.044 0.000 1.049 276 K CA 1.252 57.389 56.287 -0.250 0.000 0.974 276 K CB -0.010 32.135 32.500 -0.592 0.000 0.792 276 K HN 0.331 nan 8.250 nan 0.000 0.463 277 S N 0.143 115.866 115.700 0.039 0.000 2.515 277 S HA 0.026 4.496 4.470 -0.000 0.000 0.231 277 S C 1.421 176.080 174.600 0.098 0.000 0.987 277 S CA 0.554 58.808 58.200 0.090 0.000 0.936 277 S CB -0.158 63.078 63.200 0.061 0.000 0.766 277 S HN 0.432 nan 8.310 nan 0.000 0.528 278 G N 0.194 109.049 108.800 0.093 0.000 2.221 278 G HA2 0.237 4.197 3.960 -0.000 0.000 0.265 278 G HA3 0.237 4.197 3.960 -0.000 0.000 0.265 278 G C 0.448 175.386 174.900 0.064 0.000 1.041 278 G CA -0.073 45.079 45.100 0.086 0.000 0.807 278 G HN 1.747 nan 8.290 nan 0.000 0.502 279 G N -2.623 106.211 108.800 0.057 0.000 2.347 279 G HA2 0.455 4.415 3.960 -0.000 0.000 0.303 279 G HA3 0.455 4.415 3.960 -0.000 0.000 0.303 279 G C 0.208 175.138 174.900 0.051 0.000 1.481 279 G CA -0.052 45.077 45.100 0.049 0.000 0.914 279 G HN 0.782 nan 8.290 nan 0.000 0.638 280 L N 0.371 121.625 121.223 0.051 0.000 2.095 280 L HA 0.121 4.461 4.340 -0.000 0.000 0.204 280 L C 3.119 180.026 176.870 0.062 0.000 1.080 280 L CA 2.675 57.551 54.840 0.061 0.000 0.759 280 L CB -0.844 41.256 42.059 0.067 0.000 0.914 280 L HN 0.698 nan 8.230 nan 0.000 0.439 281 T N -0.922 113.665 114.554 0.055 0.000 2.708 281 T HA -0.175 4.175 4.350 -0.000 0.000 0.266 281 T C 2.094 176.826 174.700 0.053 0.000 1.037 281 T CA 1.190 63.322 62.100 0.053 0.000 1.146 281 T CB -0.164 68.731 68.868 0.045 0.000 0.865 281 T HN 0.202 nan 8.240 nan 0.000 0.435 282 R N 0.768 121.300 120.500 0.053 0.000 2.127 282 R HA -0.006 4.334 4.340 -0.000 0.000 0.238 282 R C 2.712 179.047 176.300 0.058 0.000 1.134 282 R CA 1.189 57.323 56.100 0.056 0.000 0.975 282 R CB -0.379 29.958 30.300 0.061 0.000 0.865 282 R HN 0.370 nan 8.270 nan 0.000 0.447 283 A N 0.864 123.718 122.820 0.056 0.000 1.898 283 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 283 A C 1.999 179.614 177.584 0.052 0.000 1.181 283 A CA 1.106 53.173 52.037 0.051 0.000 0.620 283 A CB -0.325 18.707 19.000 0.053 0.000 0.819 283 A HN 0.316 nan 8.150 nan 0.000 0.442 284 Q N -0.818 119.016 119.800 0.057 0.000 2.084 284 Q HA -0.140 4.200 4.340 -0.000 0.000 0.202 284 Q C 2.170 178.202 176.000 0.053 0.000 0.978 284 Q CA 1.951 57.788 55.803 0.056 0.000 0.844 284 Q CB -0.467 28.308 28.738 0.062 0.000 0.898 284 Q HN 0.667 nan 8.270 nan 0.000 0.426 285 T N 0.657 115.243 114.554 0.053 0.000 2.759 285 T HA -0.123 4.227 4.350 -0.000 0.000 0.269 285 T C 2.029 176.764 174.700 0.058 0.000 1.042 285 T CA 1.253 63.385 62.100 0.054 0.000 1.140 285 T CB -0.226 68.674 68.868 0.053 0.000 0.864 285 T HN 0.054 nan 8.240 nan 0.000 0.455 286 V N 1.674 121.621 119.914 0.056 0.000 2.295 286 V HA -0.175 3.945 4.120 -0.000 0.000 0.246 286 V C 2.891 179.016 176.094 0.051 0.000 1.049 286 V CA 1.715 64.048 62.300 0.055 0.000 1.024 286 V CB -1.200 30.653 31.823 0.049 0.000 0.648 286 V HN 0.536 nan 8.190 nan 0.000 0.447 287 A N -0.052 122.795 122.820 0.045 0.000 1.933 287 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 287 A C 2.362 179.976 177.584 0.049 0.000 1.175 287 A CA 1.833 53.894 52.037 0.041 0.000 0.628 287 A CB -0.453 18.569 19.000 0.037 0.000 0.814 287 A HN 0.533 nan 8.150 nan 0.000 0.444 288 R N -0.614 119.917 120.500 0.052 0.000 2.090 288 R HA 0.068 4.408 4.340 -0.000 0.000 0.228 288 R C 1.928 178.269 176.300 0.068 0.000 1.110 288 R CA 1.411 57.543 56.100 0.052 0.000 0.973 288 R CB -0.384 29.945 30.300 0.048 0.000 0.869 288 R HN 0.552 nan 8.270 nan 0.000 0.440 289 I N 0.515 121.137 120.570 0.087 0.000 2.252 289 I HA -0.216 3.954 4.170 -0.000 0.000 0.245 289 I C 2.557 178.789 176.117 0.192 0.000 1.102 289 I CA 1.003 62.387 61.300 0.141 0.000 1.385 289 I CB -0.385 37.697 38.000 0.136 0.000 1.064 289 I HN 0.192 nan 8.210 nan 0.000 0.414 290 A N 0.995 123.886 122.820 0.120 0.000 1.865 290 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 290 A C 2.565 180.215 177.584 0.110 0.000 1.191 290 A CA 2.075 54.173 52.037 0.102 0.000 0.623 290 A CB -0.951 18.077 19.000 0.047 0.000 0.826 290 A HN 0.426 nan 8.150 nan 0.000 0.444 291 A N -0.242 122.624 122.820 0.076 0.000 1.940 291 A HA 0.122 4.442 4.320 -0.000 0.000 0.219 291 A C 2.462 180.073 177.584 0.046 0.000 1.176 291 A CA 2.175 54.245 52.037 0.054 0.000 0.631 291 A CB -1.009 18.014 19.000 0.039 0.000 0.814 291 A HN 1.185 nan 8.150 nan 0.000 0.446 292 A N -1.829 121.016 122.820 0.042 0.000 2.070 292 A HA -0.153 4.167 4.320 -0.000 0.000 0.220 292 A C 1.786 179.299 177.584 -0.118 0.000 1.159 292 A CA 1.350 53.365 52.037 -0.037 0.000 0.656 292 A CB -0.694 18.271 19.000 -0.058 0.000 0.800 292 A HN 0.686 nan 8.150 nan 0.000 0.453 293 H N -1.371 117.712 119.070 0.023 0.000 2.549 293 H HA 0.254 4.810 4.556 -0.000 0.000 0.279 293 H C 1.408 176.745 175.328 0.016 0.000 1.018 293 H CA 0.468 56.530 56.048 0.023 0.000 1.175 293 H CB 0.137 29.917 29.762 0.029 0.000 1.485 293 H HN 0.599 nan 8.280 nan 0.000 0.543 294 G N 1.558 110.412 108.800 0.090 0.000 2.198 294 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.257 294 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.257 294 G C -0.089 174.844 174.900 0.056 0.000 1.042 294 G CA 0.111 45.245 45.100 0.058 0.000 0.791 294 G HN 0.259 nan 8.290 nan 0.000 0.502 295 L N -0.762 120.499 121.223 0.063 0.000 2.334 295 L HA 0.664 5.004 4.340 -0.000 0.000 0.276 295 L C 1.071 177.952 176.870 0.020 0.000 1.014 295 L CA -1.198 53.661 54.840 0.032 0.000 0.815 295 L CB 1.639 43.714 42.059 0.026 0.000 1.268 295 L HN 0.120 nan 8.230 nan 0.000 0.428 296 M N 1.792 121.392 119.600 -0.001 0.000 2.198 296 M HA 0.496 4.976 4.480 -0.000 0.000 0.315 296 M C -0.011 176.282 176.300 -0.012 0.000 1.134 296 M CA 0.167 55.466 55.300 -0.001 0.000 1.171 296 M CB 1.094 33.687 32.600 -0.012 0.000 1.413 296 M HN 0.728 nan 8.290 nan 0.000 0.467 297 A N 1.745 124.573 122.820 0.013 0.000 2.422 297 A HA 0.677 4.997 4.320 -0.000 0.000 0.302 297 A C -2.031 175.604 177.584 0.084 0.000 1.041 297 A CA -0.490 51.561 52.037 0.022 0.000 0.708 297 A CB 1.036 20.050 19.000 0.024 0.000 1.257 297 A HN 0.742 nan 8.150 nan 0.000 0.414 298 Y N 1.053 121.292 120.300 -0.102 0.000 2.499 298 Y HA 0.609 5.159 4.550 -0.000 0.000 0.347 298 Y C 0.456 176.303 175.900 -0.088 0.000 0.987 298 Y CA -0.746 57.302 58.100 -0.086 0.000 1.044 298 Y CB 2.035 40.405 38.460 -0.150 0.000 1.245 298 Y HN 0.801 nan 8.280 nan 0.000 0.461 299 G N 3.335 111.737 108.800 -0.664 0.000 2.807 299 G HA2 0.448 4.408 3.960 -0.000 0.000 0.316 299 G HA3 0.448 4.408 3.960 -0.000 0.000 0.316 299 G C 0.164 174.456 174.900 -1.013 0.000 0.900 299 G CA 0.027 44.739 45.100 -0.646 0.000 1.499 299 G HN 0.986 nan 8.290 nan 0.000 0.484 300 G N 1.263 109.662 108.800 -0.668 0.000 2.588 300 G HA2 0.574 4.534 3.960 -0.000 0.000 0.281 300 G HA3 0.574 4.534 3.960 -0.000 0.000 0.281 300 G C -0.479 174.275 174.900 -0.244 0.000 1.236 300 G CA -0.198 44.625 45.100 -0.461 0.000 0.969 300 G HN 0.668 nan 8.290 nan 0.000 0.504 301 D N -2.143 118.165 120.400 -0.153 0.000 2.665 301 D HA 0.345 4.985 4.640 -0.000 0.000 0.287 301 D C -0.277 175.928 176.300 -0.159 0.000 1.266 301 D CA -0.628 53.346 54.000 -0.043 0.000 0.830 301 D CB 0.808 41.691 40.800 0.140 0.000 1.356 301 D HN 0.189 nan 8.370 nan 0.000 0.437 302 M N -0.674 118.843 119.600 -0.138 0.000 2.634 302 M HA 0.411 4.891 4.480 -0.000 0.000 0.251 302 M C -0.085 175.998 176.300 -0.363 0.000 1.092 302 M CA -0.602 54.556 55.300 -0.238 0.000 1.015 302 M CB -0.234 32.346 32.600 -0.032 0.000 1.427 302 M HN 0.340 nan 8.290 nan 0.000 0.580 303 F N 1.876 121.743 119.950 -0.138 0.000 2.619 303 F HA 0.162 4.689 4.527 -0.000 0.000 0.350 303 F C 0.799 176.587 175.800 -0.019 0.000 1.259 303 F CA -0.277 57.653 58.000 -0.118 0.000 1.204 303 F CB -0.578 38.356 39.000 -0.110 0.000 1.556 303 F HN 0.325 nan 8.300 nan 0.000 0.650 304 E N 0.782 121.003 120.200 0.035 0.000 2.264 304 E HA 0.878 5.228 4.350 -0.000 0.000 0.260 304 E C -0.636 175.794 176.600 -0.284 0.000 0.961 304 E CA -1.369 54.986 56.400 -0.075 0.000 0.834 304 E CB 1.635 31.272 29.700 -0.105 0.000 1.230 304 E HN 0.306 nan 8.360 nan 0.000 0.412 305 A N 0.255 122.827 122.820 -0.413 0.000 2.452 305 A HA 0.596 4.916 4.320 -0.000 0.000 0.285 305 A C 1.193 178.238 177.584 -0.899 0.000 1.209 305 A CA -0.125 51.593 52.037 -0.532 0.000 0.940 305 A CB 0.246 19.076 19.000 -0.284 0.000 1.440 305 A HN 0.730 nan 8.150 nan 0.000 0.480 306 G N -0.908 107.522 108.800 -0.617 0.000 2.442 306 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.219 306 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.219 306 G C 1.281 175.922 174.900 -0.431 0.000 1.141 306 G CA 1.453 46.224 45.100 -0.549 0.000 0.763 306 G HN 0.592 nan 8.290 nan 0.000 0.554 307 L N 1.365 122.405 121.223 -0.306 0.000 2.017 307 L HA 0.116 4.456 4.340 -0.000 0.000 0.208 307 L C 3.087 179.835 176.870 -0.204 0.000 1.073 307 L CA 2.214 56.940 54.840 -0.189 0.000 0.745 307 L CB -0.879 41.101 42.059 -0.131 0.000 0.894 307 L HN 0.241 nan 8.230 nan 0.000 0.432 308 A N -1.675 120.983 122.820 -0.269 0.000 1.930 308 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 308 A C 2.147 179.508 177.584 -0.372 0.000 1.175 308 A CA 1.704 53.598 52.037 -0.239 0.000 0.627 308 A CB -1.052 17.833 19.000 -0.192 0.000 0.815 308 A HN 0.713 nan 8.150 nan 0.000 0.443 309 H N -0.500 118.170 119.070 -0.667 0.000 2.352 309 H HA -0.086 4.470 4.556 -0.000 0.000 0.299 309 H C 1.995 176.786 175.328 -0.895 0.000 1.097 309 H CA 1.244 56.582 56.048 -1.183 0.000 1.311 309 H CB -0.140 28.643 29.762 -1.631 0.000 1.377 309 H HN 0.372 nan 8.280 nan 0.000 0.504 310 L N 0.233 121.260 121.223 -0.326 0.000 2.046 310 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 310 L C 2.935 179.851 176.870 0.077 0.000 1.077 310 L CA 0.800 55.663 54.840 0.039 0.000 0.747 310 L CB -0.435 41.707 42.059 0.139 0.000 0.896 310 L HN 0.324 nan 8.230 nan 0.000 0.432 311 A N 0.248 123.053 122.820 -0.025 0.000 1.902 311 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 311 A C 2.389 179.973 177.584 0.000 0.000 1.181 311 A CA 1.793 53.846 52.037 0.028 0.000 0.623 311 A CB -1.245 17.747 19.000 -0.014 0.000 0.818 311 A HN 0.453 nan 8.150 nan 0.000 0.443 312 G N -1.410 107.263 108.800 -0.213 0.000 2.408 312 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.217 312 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.217 312 G C 1.548 176.479 174.900 0.051 0.000 1.150 312 G CA 1.576 46.585 45.100 -0.150 0.000 0.776 312 G HN 0.427 nan 8.290 nan 0.000 0.542 313 T N 0.120 114.628 114.554 -0.078 0.000 2.777 313 T HA -0.070 4.280 4.350 -0.000 0.000 0.266 313 T C 2.092 176.848 174.700 0.093 0.000 1.040 313 T CA 1.052 63.239 62.100 0.145 0.000 1.141 313 T CB -0.331 68.622 68.868 0.141 0.000 0.868 313 T HN 0.338 nan 8.240 nan 0.000 0.444 314 H N 0.343 119.511 119.070 0.163 0.000 2.389 314 H HA 0.043 4.598 4.556 -0.000 0.000 0.299 314 H C 2.370 177.813 175.328 0.191 0.000 1.081 314 H CA 1.119 57.303 56.048 0.227 0.000 1.345 314 H CB -0.298 29.588 29.762 0.207 0.000 1.393 314 H HN 0.226 nan 8.280 nan 0.000 0.520 315 M N 0.913 120.662 119.600 0.247 0.000 2.067 315 M HA -0.146 4.334 4.480 -0.000 0.000 0.260 315 M C 2.202 178.592 176.300 0.151 0.000 1.069 315 M CA 1.481 56.889 55.300 0.180 0.000 1.117 315 M CB -0.645 32.040 32.600 0.142 0.000 1.334 315 M HN 0.164 nan 8.290 nan 0.000 0.407 316 I N 0.509 121.170 120.570 0.152 0.000 2.394 316 I HA -0.223 3.947 4.170 -0.000 0.000 0.251 316 I C 2.533 178.690 176.117 0.067 0.000 1.136 316 I CA 0.964 62.328 61.300 0.106 0.000 1.425 316 I CB -0.643 37.431 38.000 0.123 0.000 1.079 316 I HN 0.332 nan 8.210 nan 0.000 0.425 317 A N 0.680 123.538 122.820 0.063 0.000 1.978 317 A HA -0.091 4.229 4.320 -0.000 0.000 0.220 317 A C 2.191 179.767 177.584 -0.013 0.000 1.170 317 A CA 1.853 53.875 52.037 -0.025 0.000 0.636 317 A CB -0.507 18.439 19.000 -0.089 0.000 0.810 317 A HN 0.437 nan 8.150 nan 0.000 0.448 318 A N -1.187 121.683 122.820 0.084 0.000 2.460 318 A HA 0.440 4.760 4.320 -0.000 0.000 0.258 318 A C 0.466 178.094 177.584 0.072 0.000 1.300 318 A CA 0.453 52.549 52.037 0.098 0.000 0.913 318 A CB -0.087 19.023 19.000 0.184 0.000 1.031 318 A HN 0.181 nan 8.150 nan 0.000 0.512 319 T N 1.055 115.641 114.554 0.054 0.000 3.068 319 T HA 0.319 4.669 4.350 -0.000 0.000 0.364 319 T C -2.358 172.360 174.700 0.030 0.000 1.161 319 T CA -0.891 61.237 62.100 0.047 0.000 1.155 319 T CB 1.542 70.443 68.868 0.056 0.000 1.060 319 T HN -0.011 nan 8.240 nan 0.000 0.513 320 P HA -0.097 nan 4.420 nan 0.000 0.217 320 P C 1.220 178.532 177.300 0.021 0.000 1.148 320 P CA 0.988 64.097 63.100 0.015 0.000 0.828 320 P CB 0.272 31.980 31.700 0.013 0.000 0.783 321 E N -0.732 119.484 120.200 0.027 0.000 2.265 321 E HA -0.068 4.282 4.350 -0.000 0.000 0.196 321 E C 0.603 177.221 176.600 0.031 0.000 0.996 321 E CA 0.543 56.960 56.400 0.029 0.000 0.832 321 E CB -0.564 29.155 29.700 0.033 0.000 0.756 321 E HN 0.323 nan 8.360 nan 0.000 0.491 322 I N 1.567 122.155 120.570 0.030 0.000 2.281 322 I HA 0.034 4.204 4.170 -0.000 0.000 0.293 322 I C 0.815 176.954 176.117 0.036 0.000 1.085 322 I CA 0.022 61.341 61.300 0.031 0.000 1.257 322 I CB 0.863 38.873 38.000 0.017 0.000 1.430 322 I HN 0.045 nan 8.210 nan 0.000 0.489 323 T N 2.556 117.142 114.554 0.054 0.000 3.010 323 T HA 0.252 4.602 4.350 -0.000 0.000 0.257 323 T C 1.080 175.833 174.700 0.089 0.000 1.020 323 T CA -0.073 62.061 62.100 0.056 0.000 0.938 323 T CB 0.083 68.979 68.868 0.046 0.000 1.049 323 T HN 0.434 nan 8.240 nan 0.000 0.522 324 L N 1.650 122.964 121.223 0.152 0.000 2.612 324 L HA 0.466 4.806 4.340 -0.000 0.000 0.230 324 L C 1.493 178.549 176.870 0.310 0.000 1.140 324 L CA 0.223 55.208 54.840 0.241 0.000 0.896 324 L CB -0.857 41.401 42.059 0.331 0.000 1.065 324 L HN 0.686 nan 8.230 nan 0.000 0.447 325 G N -0.175 108.730 108.800 0.175 0.000 2.610 325 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.304 325 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.304 325 G C -0.643 174.199 174.900 -0.097 0.000 1.309 325 G CA -0.641 44.512 45.100 0.088 0.000 0.906 325 G HN 0.339 nan 8.290 nan 0.000 0.521 326 C N -1.800 117.355 119.300 -0.242 0.000 3.080 326 C HA 0.939 5.399 4.460 -0.000 0.000 0.307 326 C C 0.258 174.915 174.990 -0.555 0.000 1.311 326 C CA 0.123 58.733 59.018 -0.680 0.000 1.533 326 C CB 1.611 28.819 27.740 -0.886 0.000 1.970 326 C HN 1.413 nan 8.230 nan 0.000 0.467 327 E N 0.185 119.929 120.200 -0.759 0.000 3.388 327 E HA 0.276 4.626 4.350 -0.000 0.000 0.214 327 E C -1.284 175.186 176.600 -0.217 0.000 1.040 327 E CA -0.351 55.895 56.400 -0.257 0.000 1.327 327 E CB -0.090 29.596 29.700 -0.023 0.000 1.243 327 E HN 0.540 nan 8.360 nan 0.000 0.444 328 F N 2.188 122.022 119.950 -0.192 0.000 2.640 328 F HA 0.160 4.687 4.527 -0.000 0.000 0.354 328 F C 0.548 176.064 175.800 -0.472 0.000 1.213 328 F CA -1.154 56.425 58.000 -0.701 0.000 1.314 328 F CB -0.711 37.879 39.000 -0.683 0.000 1.679 328 F HN 0.309 nan 8.300 nan 0.000 0.622 329 Y N -1.698 118.564 120.300 -0.063 0.000 2.462 329 Y HA 0.212 4.761 4.550 -0.000 0.000 0.253 329 Y C 1.614 177.703 175.900 0.316 0.000 1.095 329 Y CA -0.085 58.128 58.100 0.189 0.000 1.283 329 Y CB -0.494 38.073 38.460 0.179 0.000 1.138 329 Y HN 0.147 nan 8.280 nan 0.000 0.522 330 Q N 1.950 121.540 119.800 -0.350 0.000 2.096 330 Q HA -0.093 4.247 4.340 -0.000 0.000 0.204 330 Q C 2.553 178.709 176.000 0.260 0.000 0.982 330 Q CA 2.314 58.137 55.803 0.033 0.000 0.850 330 Q CB -0.536 28.204 28.738 0.003 0.000 0.901 330 Q HN 0.646 nan 8.270 nan 0.000 0.422 331 A N -0.140 122.882 122.820 0.337 0.000 1.940 331 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 331 A C 2.193 179.847 177.584 0.118 0.000 1.176 331 A CA 1.952 54.080 52.037 0.151 0.000 0.631 331 A CB -0.481 18.612 19.000 0.156 0.000 0.814 331 A HN 0.311 nan 8.150 nan 0.000 0.446 332 S N -2.219 113.548 115.700 0.111 0.000 2.404 332 S HA 0.065 4.535 4.470 -0.000 0.000 0.223 332 S C 1.182 175.570 174.600 -0.354 0.000 1.040 332 S CA 1.022 59.102 58.200 -0.201 0.000 0.957 332 S CB -0.275 62.662 63.200 -0.440 0.000 0.826 332 S HN 0.702 nan 8.310 nan 0.000 0.491 333 Y N -1.367 119.096 120.300 0.272 0.000 2.500 333 Y HA 0.446 4.996 4.550 -0.000 0.000 0.246 333 Y C 1.132 177.247 175.900 0.359 0.000 1.146 333 Y CA -0.779 57.487 58.100 0.277 0.000 1.230 333 Y CB 0.230 38.859 38.460 0.283 0.000 1.214 333 Y HN 0.252 nan 8.280 nan 0.000 0.526 334 F N -0.270 119.846 119.950 0.278 0.000 2.549 334 F HA 0.398 4.925 4.527 -0.000 0.000 0.275 334 F C 0.291 176.151 175.800 0.099 0.000 0.990 334 F CA -0.248 57.881 58.000 0.214 0.000 1.274 334 F CB 0.003 39.154 39.000 0.251 0.000 1.064 334 F HN -0.325 nan 8.300 nan 0.000 0.715 335 L N 1.850 123.069 121.223 -0.006 0.000 2.416 335 L HA 0.102 4.442 4.340 -0.000 0.000 0.272 335 L C 1.227 178.016 176.870 -0.134 0.000 1.161 335 L CA 0.009 54.744 54.840 -0.176 0.000 0.845 335 L CB 0.432 42.431 42.059 -0.099 0.000 1.119 335 L HN 0.176 nan 8.230 nan 0.000 0.464 336 N N 1.772 120.368 118.700 -0.173 0.000 2.223 336 N HA -0.140 4.600 4.740 -0.000 0.000 0.185 336 N C 0.081 175.555 175.510 -0.059 0.000 1.016 336 N CA 1.148 54.141 53.050 -0.095 0.000 0.863 336 N CB 0.397 38.833 38.487 -0.085 0.000 0.983 336 N HN 0.713 nan 8.380 nan 0.000 0.429 337 E N -0.737 119.406 120.200 -0.096 0.000 2.335 337 E HA 0.151 4.501 4.350 -0.000 0.000 0.280 337 E C -1.942 174.588 176.600 -0.115 0.000 0.918 337 E CA -0.788 55.577 56.400 -0.058 0.000 0.765 337 E CB 1.026 30.744 29.700 0.029 0.000 1.218 337 E HN 0.059 nan 8.360 nan 0.000 0.425 338 D N 2.279 122.636 120.400 -0.071 0.000 2.387 338 D HA 0.237 4.877 4.640 -0.000 0.000 0.251 338 D C 1.011 177.260 176.300 -0.084 0.000 1.141 338 D CA -0.388 53.554 54.000 -0.095 0.000 0.987 338 D CB 1.079 41.843 40.800 -0.060 0.000 1.116 338 D HN 0.549 nan 8.370 nan 0.000 0.491 339 I N -1.102 119.398 120.570 -0.118 0.000 3.883 339 I HA 0.262 4.432 4.170 -0.000 0.000 0.326 339 I C 0.012 176.042 176.117 -0.144 0.000 1.283 339 I CA -0.315 60.916 61.300 -0.115 0.000 1.161 339 I CB -0.109 37.798 38.000 -0.154 0.000 1.012 339 I HN -0.014 nan 8.210 nan 0.000 0.421 340 L N 1.285 122.439 121.223 -0.115 0.000 2.421 340 L HA 0.307 4.647 4.340 -0.000 0.000 0.263 340 L C 1.277 178.099 176.870 -0.079 0.000 1.122 340 L CA -0.197 54.576 54.840 -0.111 0.000 0.804 340 L CB 0.956 42.982 42.059 -0.054 0.000 1.150 340 L HN 0.138 nan 8.230 nan 0.000 0.457 341 E N -0.069 120.082 120.200 -0.082 0.000 2.299 341 E HA -0.030 4.320 4.350 -0.000 0.000 0.193 341 E C 0.000 176.585 176.600 -0.026 0.000 0.998 341 E CA 0.727 57.093 56.400 -0.056 0.000 0.851 341 E CB 0.257 29.922 29.700 -0.058 0.000 0.795 341 E HN 0.746 nan 8.360 nan 0.000 0.492 342 T N -0.421 114.126 114.554 -0.013 0.000 2.893 342 T HA 0.426 4.776 4.350 -0.000 0.000 0.293 342 T C -2.896 171.820 174.700 0.027 0.000 1.027 342 T CA -2.482 59.621 62.100 0.006 0.000 0.988 342 T CB 1.946 70.821 68.868 0.012 0.000 1.043 342 T HN -0.307 nan 8.240 nan 0.000 0.461 343 P HA 0.132 nan 4.420 nan 0.000 0.265 343 P C -0.675 176.688 177.300 0.106 0.000 1.187 343 P CA -0.384 62.750 63.100 0.056 0.000 0.766 343 P CB 0.102 31.816 31.700 0.023 0.000 0.820 344 F N 4.181 124.132 119.950 0.001 0.000 2.502 344 F HA 0.132 4.659 4.527 0.000 0.000 0.371 344 F C 0.725 176.540 175.800 0.025 0.000 1.083 344 F CA -0.426 57.590 58.000 0.027 0.000 1.174 344 F CB 0.096 39.141 39.000 0.075 0.000 1.096 344 F HN 0.172 nan 8.300 nan 0.000 0.545 345 R N 5.280 125.522 120.500 -0.430 0.000 2.370 345 R HA 0.447 4.787 4.340 -0.000 0.000 0.309 345 R C -1.190 174.826 176.300 -0.473 0.000 1.059 345 R CA -0.336 55.545 56.100 -0.365 0.000 0.981 345 R CB 0.673 30.842 30.300 -0.219 0.000 0.972 345 R HN 0.448 nan 8.270 nan 0.000 0.437 346 V N 3.372 123.132 119.914 -0.255 0.000 2.569 346 V HA 0.256 4.376 4.120 -0.000 0.000 0.301 346 V C -0.460 175.595 176.094 -0.066 0.000 1.044 346 V CA -0.802 61.404 62.300 -0.156 0.000 0.874 346 V CB 1.995 33.780 31.823 -0.064 0.000 1.002 346 V HN 0.761 nan 8.190 nan 0.000 0.424 347 E N 2.982 123.154 120.200 -0.046 0.000 2.224 347 E HA 0.668 5.018 4.350 -0.000 0.000 0.265 347 E C 0.288 176.892 176.600 0.006 0.000 0.878 347 E CA -0.405 55.985 56.400 -0.016 0.000 0.759 347 E CB 1.961 31.645 29.700 -0.027 0.000 1.164 347 E HN 1.107 nan 8.360 nan 0.000 0.414 348 A N 2.932 125.767 122.820 0.025 0.000 2.745 348 A HA -0.198 4.122 4.320 -0.000 0.000 0.296 348 A C 1.259 178.871 177.584 0.046 0.000 1.500 348 A CA 1.179 53.237 52.037 0.035 0.000 0.766 348 A CB -2.282 16.730 19.000 0.020 0.000 1.030 348 A HN 1.414 nan 8.150 nan 0.000 0.489 349 G N -2.617 106.224 108.800 0.067 0.000 2.148 349 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.254 349 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.254 349 G C -0.203 174.730 174.900 0.055 0.000 0.981 349 G CA 0.869 46.017 45.100 0.080 0.000 0.670 349 G HN 1.614 nan 8.290 nan 0.000 0.528 350 Q N 0.017 119.834 119.800 0.028 0.000 2.340 350 Q HA 0.593 4.933 4.340 -0.000 0.000 0.268 350 Q C 0.072 176.057 176.000 -0.026 0.000 1.031 350 Q CA -0.847 54.961 55.803 0.007 0.000 0.804 350 Q CB 2.497 31.233 28.738 -0.004 0.000 1.286 350 Q HN 0.202 nan 8.270 nan 0.000 0.448 351 V N 3.330 123.231 119.914 -0.020 0.000 2.655 351 V HA 0.065 4.184 4.120 -0.000 0.000 0.300 351 V C 0.457 176.482 176.094 -0.114 0.000 1.044 351 V CA -0.050 62.196 62.300 -0.091 0.000 1.095 351 V CB 0.375 32.233 31.823 0.058 0.000 0.952 351 V HN 0.569 nan 8.190 nan 0.000 0.485 352 I N 5.539 125.989 120.570 -0.201 0.000 2.325 352 I HA 0.209 4.379 4.170 -0.000 0.000 0.291 352 I C 0.231 176.274 176.117 -0.123 0.000 1.019 352 I CA -0.308 60.909 61.300 -0.138 0.000 1.302 352 I CB 1.215 39.137 38.000 -0.130 0.000 1.401 352 I HN 0.239 nan 8.210 nan 0.000 0.485 353 V N 9.590 129.448 119.914 -0.093 0.000 2.446 353 V HA 0.120 4.240 4.120 -0.000 0.000 0.276 353 V C -1.889 174.196 176.094 -0.015 0.000 1.030 353 V CA -1.093 61.145 62.300 -0.104 0.000 1.033 353 V CB 0.324 32.046 31.823 -0.169 0.000 0.993 353 V HN 0.611 nan 8.190 nan 0.000 0.477 354 P HA 0.211 nan 4.420 nan 0.000 0.271 354 P C -0.002 177.533 177.300 0.392 0.000 1.218 354 P CA -0.154 63.048 63.100 0.171 0.000 0.780 354 P CB 0.696 32.523 31.700 0.212 0.000 0.901 355 D N 0.623 121.207 120.400 0.307 0.000 2.441 355 D HA 0.095 4.735 4.640 -0.000 0.000 0.210 355 D C 1.220 177.625 176.300 0.176 0.000 1.102 355 D CA 0.236 54.450 54.000 0.355 0.000 0.840 355 D CB 0.367 41.337 40.800 0.282 0.000 0.990 355 D HN 0.431 nan 8.370 nan 0.000 0.505 356 G N 1.834 110.717 108.800 0.139 0.000 2.651 356 G HA2 0.279 4.239 3.960 -0.000 0.000 0.260 356 G HA3 0.279 4.239 3.960 -0.000 0.000 0.260 356 G C -2.533 172.374 174.900 0.012 0.000 1.216 356 G CA -0.689 44.452 45.100 0.068 0.000 0.913 356 G HN -0.103 nan 8.290 nan 0.000 0.535 357 P HA 0.289 nan 4.420 nan 0.000 0.271 357 P C 0.991 178.252 177.300 -0.065 0.000 1.218 357 P CA 1.243 64.307 63.100 -0.060 0.000 0.780 357 P CB 0.808 32.487 31.700 -0.036 0.000 0.901 358 G N 1.565 110.289 108.800 -0.125 0.000 2.566 358 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.280 358 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.280 358 G C 0.804 175.583 174.900 -0.201 0.000 1.225 358 G CA 0.203 45.221 45.100 -0.136 0.000 0.966 358 G HN 0.488 nan 8.290 nan 0.000 0.560 359 L N 1.846 123.012 121.223 -0.095 0.000 2.465 359 L HA 0.297 4.637 4.340 -0.000 0.000 0.224 359 L C 2.532 179.532 176.870 0.218 0.000 1.145 359 L CA 1.376 56.205 54.840 -0.018 0.000 0.834 359 L CB -0.512 41.584 42.059 0.062 0.000 0.944 359 L HN 2.026 nan 8.230 nan 0.000 0.451 360 G N -0.596 108.287 108.800 0.138 0.000 2.176 360 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.232 360 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.232 360 G C 0.128 175.097 174.900 0.115 0.000 0.986 360 G CA -0.064 45.136 45.100 0.166 0.000 0.643 360 G HN 0.665 nan 8.290 nan 0.000 0.522 361 A N -0.886 121.987 122.820 0.089 0.000 2.599 361 A HA 0.828 5.148 4.320 -0.000 0.000 0.294 361 A C -0.468 177.117 177.584 0.003 0.000 1.055 361 A CA -0.435 51.630 52.037 0.046 0.000 0.683 361 A CB 1.027 20.062 19.000 0.058 0.000 1.278 361 A HN 0.530 nan 8.150 nan 0.000 0.412 362 R N 0.330 120.802 120.500 -0.047 0.000 2.668 362 R HA 0.715 5.055 4.340 -0.000 0.000 0.279 362 R C 0.092 176.204 176.300 -0.312 0.000 0.976 362 R CA -0.339 55.676 56.100 -0.142 0.000 0.978 362 R CB 2.052 32.314 30.300 -0.063 0.000 1.133 362 R HN 0.988 nan 8.270 nan 0.000 0.484 363 A N 1.452 123.853 122.820 -0.697 0.000 2.354 363 A HA 0.059 4.379 4.320 -0.000 0.000 0.269 363 A C -0.326 176.953 177.584 -0.508 0.000 1.109 363 A CA -0.360 51.263 52.037 -0.690 0.000 0.800 363 A CB 0.392 18.732 19.000 -1.100 0.000 1.045 363 A HN 0.659 nan 8.150 nan 0.000 0.489 364 D N 2.971 123.181 120.400 -0.317 0.000 2.338 364 D HA 0.202 4.842 4.640 -0.000 0.000 0.255 364 D C -1.610 174.552 176.300 -0.231 0.000 1.237 364 D CA -1.619 52.257 54.000 -0.207 0.000 0.883 364 D CB 1.120 41.846 40.800 -0.124 0.000 1.087 364 D HN 0.136 nan 8.370 nan 0.000 0.485 365 P HA -0.142 nan 4.420 nan 0.000 0.216 365 P C 0.868 178.098 177.300 -0.116 0.000 1.150 365 P CA 1.136 64.146 63.100 -0.150 0.000 0.843 365 P CB 0.335 32.029 31.700 -0.010 0.000 0.787 366 E N -0.283 119.870 120.200 -0.079 0.000 2.106 366 E HA -0.147 4.203 4.350 -0.000 0.000 0.192 366 E C 1.857 178.422 176.600 -0.059 0.000 0.984 366 E CA 0.875 57.241 56.400 -0.057 0.000 0.806 366 E CB -0.279 29.383 29.700 -0.063 0.000 0.750 366 E HN 0.363 nan 8.360 nan 0.000 0.458 367 K N 0.708 121.071 120.400 -0.061 0.000 2.103 367 K HA -0.052 4.268 4.320 -0.000 0.000 0.204 367 K C 2.306 178.922 176.600 0.026 0.000 1.052 367 K CA 0.629 56.937 56.287 0.035 0.000 0.945 367 K CB -0.106 32.446 32.500 0.087 0.000 0.722 367 K HN 0.158 nan 8.250 nan 0.000 0.443 368 L N 0.847 121.957 121.223 -0.189 0.000 2.046 368 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 368 L C 2.567 179.329 176.870 -0.179 0.000 1.077 368 L CA 1.235 55.828 54.840 -0.411 0.000 0.747 368 L CB -0.400 40.957 42.059 -1.169 0.000 0.896 368 L HN 0.157 nan 8.230 nan 0.000 0.432 369 E N -0.280 119.888 120.200 -0.054 0.000 2.072 369 E HA -0.251 4.099 4.350 -0.000 0.000 0.190 369 E C 2.098 178.742 176.600 0.073 0.000 0.982 369 E CA 1.329 57.800 56.400 0.118 0.000 0.803 369 E CB -0.120 29.655 29.700 0.124 0.000 0.755 369 E HN 0.425 nan 8.360 nan 0.000 0.453 370 H N -1.046 117.949 119.070 -0.126 0.000 2.319 370 H HA -0.143 4.413 4.556 -0.000 0.000 0.299 370 H C 1.032 176.177 175.328 -0.306 0.000 1.092 370 H CA 2.115 57.995 56.048 -0.280 0.000 1.302 370 H CB -0.317 29.150 29.762 -0.492 0.000 1.373 370 H HN 0.260 nan 8.280 nan 0.000 0.497 371 Y N -0.090 120.123 120.300 -0.145 0.000 2.466 371 Y HA 0.424 4.974 4.550 -0.000 0.000 0.272 371 Y C 1.196 177.053 175.900 -0.072 0.000 1.169 371 Y CA 0.216 58.203 58.100 -0.189 0.000 1.285 371 Y CB -0.336 38.054 38.460 -0.115 0.000 1.078 371 Y HN 0.261 nan 8.280 nan 0.000 0.523 372 A N 0.750 123.644 122.820 0.124 0.000 2.488 372 A HA 0.332 4.652 4.320 -0.000 0.000 0.249 372 A C 1.322 178.935 177.584 0.048 0.000 1.083 372 A CA 0.279 52.418 52.037 0.169 0.000 0.768 372 A CB 0.155 19.352 19.000 0.328 0.000 1.017 372 A HN 0.333 nan 8.150 nan 0.000 0.496 373 V N 0.274 120.165 119.914 -0.037 0.000 3.590 373 V HA 0.419 4.539 4.120 -0.000 0.000 0.265 373 V C 0.622 176.627 176.094 -0.148 0.000 1.239 373 V CA 0.832 63.043 62.300 -0.149 0.000 1.117 373 V CB -0.859 30.772 31.823 -0.321 0.000 0.818 373 V HN 0.877 nan 8.190 nan 0.000 0.451 374 R N 1.022 121.473 120.500 -0.080 0.000 2.604 374 R HA 0.603 4.943 4.340 -0.000 0.000 0.261 374 R C -1.211 175.121 176.300 0.054 0.000 1.080 374 R CA -0.553 55.498 56.100 -0.082 0.000 0.917 374 R CB 1.882 32.024 30.300 -0.264 0.000 1.252 374 R HN 0.593 nan 8.270 nan 0.000 0.456 375 R N 0.000 120.532 120.500 0.054 0.000 2.786 375 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 375 R CA 0.000 56.123 56.100 0.039 0.000 0.921 375 R CB 0.000 30.274 30.300 -0.043 0.000 0.687 375 R HN 0.000 nan 8.270 nan 0.000 0.535