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 1i3r_1_E DATA FIRST_RESID 1 DATA SEQUENCE IKEEHTIIQA QFYLLPDKRG EFMFDFDGDE IFHVDIEKSE TIWRLEEFAK DATA SEQUENCE FASFEAQGAL ANIAVNKANL DVMKERSNNT PDANVAPEVT VLSRSPVNLG DATA SEQUENCE EPNILIcFID KFSPPVVNVT WLRNGRPVTE GVSETVFLPR DDHLFRKFHY DATA SEQUENCE LTFLPSTDDF YDcEVDHWGL EEPLRKHWEF EE 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 1 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 1 I C 0.000 176.114 176.117 -0.005 0.000 1.063 1 I CA 0.000 61.297 61.300 -0.006 0.000 1.566 1 I CB 0.000 37.994 38.000 -0.009 0.000 1.214 2 K N 2.210 122.600 120.400 -0.017 0.000 2.207 2 K HA 0.418 4.745 4.320 0.010 0.000 0.255 2 K C -0.058 176.520 176.600 -0.037 0.000 0.941 2 K CA -0.330 55.947 56.287 -0.016 0.000 0.825 2 K CB 1.213 33.701 32.500 -0.020 0.000 1.119 2 K HN -0.042 8.208 8.250 -0.000 0.000 0.430 3 E N 2.870 123.067 120.200 -0.004 0.000 1.775 3 E HA 0.015 4.372 4.350 0.010 0.000 0.266 3 E C -0.748 175.800 176.600 -0.087 0.000 1.191 3 E CA 0.085 56.488 56.400 0.004 0.000 1.048 3 E CB -0.043 29.749 29.700 0.152 0.000 1.081 3 E HN 0.410 8.770 8.360 -0.000 0.000 0.434 4 E N 2.570 122.586 120.200 -0.307 0.000 2.197 4 E HA 0.364 4.721 4.350 0.010 0.000 0.281 4 E C -0.048 176.187 176.600 -0.608 0.000 0.995 4 E CA -0.421 55.808 56.400 -0.285 0.000 0.808 4 E CB 1.522 31.110 29.700 -0.187 0.000 1.093 4 E HN 0.360 8.720 8.360 -0.000 0.000 0.394 5 H N 0.478 119.520 119.070 -0.047 0.000 2.990 5 H HA 0.427 4.990 4.556 0.010 0.000 0.336 5 H C -0.887 174.359 175.328 -0.136 0.000 1.306 5 H CA -0.721 55.249 56.048 -0.130 0.000 1.118 5 H CB 2.425 32.155 29.762 -0.053 0.000 1.856 5 H HN 0.372 8.652 8.280 -0.000 0.000 0.538 6 T N 2.087 116.579 114.554 -0.103 0.000 2.921 6 T HA 0.499 4.855 4.350 0.010 0.000 0.297 6 T C -0.017 174.613 174.700 -0.116 0.000 1.013 6 T CA -0.557 61.483 62.100 -0.099 0.000 0.990 6 T CB 1.149 69.943 68.868 -0.123 0.000 1.023 6 T HN 0.277 8.517 8.240 -0.000 0.000 0.447 7 I N 3.846 124.403 120.570 -0.023 0.000 2.433 7 I HA 0.568 4.744 4.170 0.010 0.000 0.292 7 I C -0.714 175.331 176.117 -0.121 0.000 1.001 7 I CA -0.925 60.385 61.300 0.017 0.000 1.119 7 I CB 1.714 39.799 38.000 0.141 0.000 1.289 7 I HN 0.449 8.659 8.210 -0.000 0.000 0.438 8 I N 5.402 125.838 120.570 -0.223 0.000 2.533 8 I HA 0.312 4.488 4.170 0.010 0.000 0.290 8 I C -0.578 175.160 176.117 -0.633 0.000 1.056 8 I CA -0.611 60.486 61.300 -0.338 0.000 1.057 8 I CB 2.237 40.099 38.000 -0.229 0.000 1.240 8 I HN 0.564 8.774 8.210 -0.000 0.000 0.423 9 Q N 5.173 124.548 119.800 -0.708 0.000 2.347 9 Q HA 0.737 5.083 4.340 0.010 0.000 0.262 9 Q C -1.311 174.371 176.000 -0.531 0.000 0.980 9 Q CA -0.600 54.645 55.803 -0.930 0.000 0.867 9 Q CB 1.777 30.012 28.738 -0.838 0.000 1.242 9 Q HN 0.812 9.082 8.270 -0.000 0.000 0.453 10 A N 4.735 127.259 122.820 -0.493 0.000 2.343 10 A HA 0.609 4.935 4.320 0.010 0.000 0.316 10 A C -1.250 176.198 177.584 -0.227 0.000 1.104 10 A CA -0.603 51.285 52.037 -0.249 0.000 0.768 10 A CB 1.321 20.249 19.000 -0.120 0.000 1.213 10 A HN 0.823 8.973 8.150 -0.000 0.000 0.456 11 Q N 0.910 120.681 119.800 -0.048 0.000 2.418 11 Q HA 0.837 5.184 4.340 0.010 0.000 0.282 11 Q C -1.370 174.766 176.000 0.225 0.000 1.044 11 Q CA -0.781 55.032 55.803 0.017 0.000 0.813 11 Q CB 2.010 30.779 28.738 0.053 0.000 1.428 11 Q HN 1.249 9.519 8.270 -0.000 0.000 0.402 12 F N -1.334 118.720 119.950 0.173 0.000 2.773 12 F HA 0.767 5.300 4.527 0.010 0.000 0.314 12 F C -2.373 173.566 175.800 0.231 0.000 1.160 12 F CA -1.204 56.903 58.000 0.179 0.000 0.920 12 F CB 1.291 40.388 39.000 0.161 0.000 1.323 12 F HN 0.624 8.924 8.300 -0.000 0.000 0.457 13 Y N 2.102 122.646 120.300 0.405 0.000 2.421 13 Y HA 0.752 5.307 4.550 0.010 0.000 0.339 13 Y C -2.106 173.970 175.900 0.292 0.000 0.996 13 Y CA -1.474 56.785 58.100 0.264 0.000 1.046 13 Y CB 1.992 40.532 38.460 0.133 0.000 1.226 13 Y HN 0.929 9.209 8.280 -0.000 0.000 0.445 14 L N 6.556 127.551 121.223 -0.380 0.000 2.362 14 L HA 0.742 5.088 4.340 0.010 0.000 0.275 14 L C -2.000 174.624 176.870 -0.410 0.000 0.998 14 L CA -0.533 54.136 54.840 -0.284 0.000 0.820 14 L CB 1.515 43.468 42.059 -0.178 0.000 1.270 14 L HN 0.695 8.925 8.230 -0.000 0.000 0.415 15 L N 5.757 126.851 121.223 -0.215 0.000 2.341 15 L HA 0.616 4.963 4.340 0.010 0.000 0.267 15 L C -1.443 175.347 176.870 -0.134 0.000 1.009 15 L CA -1.397 53.356 54.840 -0.145 0.000 0.819 15 L CB 2.318 44.352 42.059 -0.042 0.000 1.323 15 L HN 0.549 8.779 8.230 -0.000 0.000 0.425 16 P HA 0.019 4.439 4.420 -0.000 0.000 0.245 16 P C 0.112 177.362 177.300 -0.085 0.000 1.212 16 P CA 0.319 63.361 63.100 -0.095 0.000 0.774 16 P CB 0.306 31.946 31.700 -0.101 0.000 0.999 17 D N 1.572 121.908 120.400 -0.106 0.000 2.178 17 D HA -0.113 4.533 4.640 0.010 0.000 0.201 17 D C 0.497 176.753 176.300 -0.074 0.000 0.980 17 D CA 0.877 54.837 54.000 -0.066 0.000 0.842 17 D CB -0.373 40.396 40.800 -0.052 0.000 0.948 17 D HN 0.161 8.531 8.370 -0.000 0.000 0.472 18 K N -0.569 119.721 120.400 -0.182 0.000 3.167 18 K HA -0.155 4.171 4.320 0.010 0.000 0.272 18 K C -0.653 175.848 176.600 -0.166 0.000 1.137 18 K CA 0.230 56.407 56.287 -0.185 0.000 0.800 18 K CB -0.876 31.657 32.500 0.054 0.000 1.253 18 K HN 0.098 8.348 8.250 -0.000 0.000 0.497 19 R N 0.416 120.751 120.500 -0.274 0.000 2.474 19 R HA 0.608 4.954 4.340 0.010 0.000 0.295 19 R C 0.497 176.758 176.300 -0.065 0.000 0.980 19 R CA -0.218 55.844 56.100 -0.064 0.000 0.934 19 R CB 1.879 32.202 30.300 0.039 0.000 1.101 19 R HN 0.315 8.585 8.270 -0.000 0.000 0.469 20 G N 0.917 109.733 108.800 0.027 0.000 2.667 20 G HA2 0.588 4.554 3.960 0.010 0.000 0.298 20 G HA3 0.588 4.554 3.960 0.010 0.000 0.298 20 G C -1.214 173.520 174.900 -0.278 0.000 1.377 20 G CA -0.397 44.661 45.100 -0.070 0.000 0.964 20 G HN 0.411 8.701 8.290 -0.000 0.000 0.493 21 E N -0.379 119.433 120.200 -0.647 0.000 2.390 21 E HA 0.475 4.831 4.350 0.010 0.000 0.277 21 E C -2.059 174.462 176.600 -0.131 0.000 0.939 21 E CA -0.716 55.463 56.400 -0.369 0.000 0.769 21 E CB 3.242 32.674 29.700 -0.448 0.000 1.251 21 E HN 0.358 8.718 8.360 -0.000 0.000 0.450 22 F N 3.353 123.274 119.950 -0.048 0.000 2.557 22 F HA 0.569 5.102 4.527 0.010 0.000 0.316 22 F C -1.480 174.346 175.800 0.044 0.000 1.141 22 F CA -0.644 57.371 58.000 0.025 0.000 0.922 22 F CB 1.254 40.311 39.000 0.096 0.000 1.194 22 F HN 0.516 8.816 8.300 -0.000 0.000 0.443 23 M N 4.655 123.997 119.600 -0.430 0.000 2.603 23 M HA 0.624 5.111 4.480 0.010 0.000 0.275 23 M C -2.440 173.573 176.300 -0.479 0.000 1.226 23 M CA -0.659 54.444 55.300 -0.329 0.000 0.870 23 M CB 1.552 34.095 32.600 -0.094 0.000 1.716 23 M HN 0.298 8.588 8.290 -0.000 0.000 0.482 24 F N 0.873 120.300 119.950 -0.871 0.000 2.492 24 F HA 0.759 5.292 4.527 0.010 0.000 0.327 24 F C -0.472 175.119 175.800 -0.348 0.000 1.079 24 F CA -0.326 57.290 58.000 -0.640 0.000 0.967 24 F CB 1.556 40.077 39.000 -0.798 0.000 1.169 24 F HN 0.752 9.052 8.300 -0.000 0.000 0.472 25 D N 2.468 122.801 120.400 -0.112 0.000 2.787 25 D HA 0.201 4.847 4.640 0.010 0.000 0.246 25 D C -1.885 174.458 176.300 0.073 0.000 1.150 25 D CA -0.244 53.746 54.000 -0.016 0.000 0.864 25 D CB 1.682 42.437 40.800 -0.075 0.000 1.481 25 D HN 0.301 8.671 8.370 -0.000 0.000 0.509 26 F N 3.674 123.619 119.950 -0.007 0.000 2.403 26 F HA 0.253 4.786 4.527 0.010 0.000 0.355 26 F C 0.082 175.898 175.800 0.027 0.000 1.119 26 F CA -0.710 57.292 58.000 0.004 0.000 1.007 26 F CB 0.619 39.606 39.000 -0.022 0.000 1.194 26 F HN 0.282 8.582 8.300 -0.000 0.000 0.443 27 D N 4.578 124.600 120.400 -0.629 0.000 2.737 27 D HA -0.205 4.441 4.640 0.010 0.000 0.233 27 D C 1.260 177.467 176.300 -0.154 0.000 1.155 27 D CA 1.797 55.544 54.000 -0.421 0.000 0.667 27 D CB -1.128 39.357 40.800 -0.525 0.000 1.060 27 D HN 1.218 9.588 8.370 -0.000 0.000 0.427 28 G N -1.004 107.747 108.800 -0.082 0.000 2.176 28 G HA2 -0.240 3.726 3.960 0.010 0.000 0.232 28 G HA3 -0.240 3.726 3.960 0.010 0.000 0.232 28 G C -0.192 174.745 174.900 0.062 0.000 0.986 28 G CA 0.245 45.345 45.100 -0.000 0.000 0.643 28 G HN 0.439 8.729 8.290 -0.000 0.000 0.522 29 D N 0.255 120.704 120.400 0.082 0.000 2.340 29 D HA 0.434 5.080 4.640 0.010 0.000 0.240 29 D C -0.208 176.182 176.300 0.149 0.000 1.001 29 D CA -0.502 53.575 54.000 0.129 0.000 0.888 29 D CB 1.594 42.492 40.800 0.163 0.000 1.310 29 D HN 0.313 8.683 8.370 -0.000 0.000 0.474 30 E N 1.444 121.739 120.200 0.157 0.000 2.290 30 E HA 0.114 4.471 4.350 0.010 0.000 0.277 30 E C 0.649 177.380 176.600 0.219 0.000 1.035 30 E CA -0.191 56.300 56.400 0.152 0.000 0.873 30 E CB 0.755 30.556 29.700 0.168 0.000 1.029 30 E HN 0.393 8.753 8.360 -0.000 0.000 0.419 31 I N 4.797 125.449 120.570 0.136 0.000 2.385 31 I HA 0.053 4.229 4.170 0.010 0.000 0.244 31 I C 0.452 176.813 176.117 0.407 0.000 1.089 31 I CA 0.524 61.949 61.300 0.208 0.000 1.410 31 I CB 0.038 38.129 38.000 0.151 0.000 1.117 31 I HN 0.454 8.664 8.210 -0.000 0.000 0.429 32 F N -0.315 119.694 119.950 0.097 0.000 2.807 32 F HA 0.513 5.046 4.527 0.010 0.000 0.316 32 F C -0.959 174.839 175.800 -0.003 0.000 1.162 32 F CA -1.205 56.735 58.000 -0.099 0.000 0.910 32 F CB 0.878 39.454 39.000 -0.707 0.000 1.314 32 F HN -0.032 8.268 8.300 -0.000 0.000 0.454 33 H N -0.590 118.552 119.070 0.119 0.000 2.985 33 H HA 0.824 5.385 4.556 0.010 0.000 0.360 33 H C -2.131 173.343 175.328 0.243 0.000 1.221 33 H CA -1.216 54.904 56.048 0.120 0.000 1.121 33 H CB 1.572 31.384 29.762 0.084 0.000 1.854 33 H HN 0.703 8.983 8.280 -0.000 0.000 0.551 34 V N 1.520 121.643 119.914 0.348 0.000 2.459 34 V HA 0.065 4.191 4.120 0.010 0.000 0.295 34 V C 0.103 176.346 176.094 0.249 0.000 1.029 34 V CA -0.666 61.763 62.300 0.215 0.000 0.874 34 V CB 1.448 33.408 31.823 0.228 0.000 0.985 34 V HN 0.752 8.942 8.190 -0.000 0.000 0.438 35 D N 4.280 124.778 120.400 0.163 0.000 2.383 35 D HA 0.118 4.764 4.640 0.010 0.000 0.245 35 D C 1.467 177.844 176.300 0.127 0.000 1.263 35 D CA -0.147 53.960 54.000 0.179 0.000 0.936 35 D CB 0.851 41.731 40.800 0.134 0.000 1.053 35 D HN 0.639 9.009 8.370 -0.000 0.000 0.507 36 I N 0.698 121.347 120.570 0.132 0.000 2.502 36 I HA -0.201 3.975 4.170 0.010 0.000 0.258 36 I C 1.273 177.442 176.117 0.087 0.000 1.172 36 I CA 1.074 62.435 61.300 0.102 0.000 1.430 36 I CB 0.154 38.221 38.000 0.111 0.000 1.086 36 I HN 0.128 8.338 8.210 -0.000 0.000 0.440 37 E N 1.946 122.201 120.200 0.093 0.000 2.057 37 E HA -0.036 4.320 4.350 0.010 0.000 0.190 37 E C 1.766 178.404 176.600 0.063 0.000 0.969 37 E CA 0.997 57.444 56.400 0.079 0.000 0.812 37 E CB -0.080 29.672 29.700 0.086 0.000 0.777 37 E HN 0.583 8.943 8.360 -0.000 0.000 0.455 38 K N 1.142 121.582 120.400 0.067 0.000 2.458 38 K HA 0.067 4.393 4.320 0.010 0.000 0.194 38 K C 0.381 177.003 176.600 0.037 0.000 1.024 38 K CA 0.150 56.467 56.287 0.051 0.000 1.108 38 K CB 0.214 32.746 32.500 0.055 0.000 0.846 38 K HN -0.054 8.196 8.250 -0.000 0.000 0.518 39 S N 1.814 117.537 115.700 0.038 0.000 3.477 39 S HA -0.229 4.247 4.470 0.010 0.000 0.371 39 S C -0.515 174.091 174.600 0.009 0.000 0.965 39 S CA 0.844 59.056 58.200 0.019 0.000 1.239 39 S CB -1.084 62.120 63.200 0.006 0.000 0.918 39 S HN 0.541 8.851 8.310 -0.000 0.000 0.498 40 E N 0.416 120.624 120.200 0.014 0.000 2.314 40 E HA 0.438 4.794 4.350 0.010 0.000 0.272 40 E C -0.726 175.847 176.600 -0.045 0.000 0.884 40 E CA -0.727 55.669 56.400 -0.007 0.000 0.753 40 E CB 1.744 31.448 29.700 0.006 0.000 1.213 40 E HN 0.319 8.679 8.360 -0.000 0.000 0.432 41 T N 4.501 119.004 114.554 -0.084 0.000 2.761 41 T HA 0.299 4.656 4.350 0.010 0.000 0.296 41 T C -0.145 174.375 174.700 -0.299 0.000 0.934 41 T CA -0.266 61.694 62.100 -0.232 0.000 1.091 41 T CB 0.029 68.700 68.868 -0.328 0.000 0.896 41 T HN 0.252 8.492 8.240 -0.000 0.000 0.515 42 I N 3.798 124.127 120.570 -0.402 0.000 2.390 42 I HA 0.295 4.471 4.170 0.010 0.000 0.283 42 I C -0.421 175.558 176.117 -0.230 0.000 1.016 42 I CA -1.498 59.622 61.300 -0.300 0.000 1.151 42 I CB 0.548 38.296 38.000 -0.420 0.000 1.293 42 I HN 0.686 8.896 8.210 -0.000 0.000 0.458 43 W N 4.958 126.333 121.300 0.126 0.000 2.170 43 W HA 0.296 4.961 4.660 0.009 0.000 0.336 43 W C 1.762 178.427 176.519 0.244 0.000 1.283 43 W CA -0.433 57.075 57.345 0.270 0.000 1.224 43 W CB 0.462 30.088 29.460 0.276 0.000 1.132 43 W HN 0.466 8.646 8.180 -0.000 0.000 0.571 44 R N 1.413 122.254 120.500 0.567 0.000 2.075 44 R HA 0.081 4.428 4.340 0.010 0.000 0.232 44 R C 0.061 176.472 176.300 0.185 0.000 1.126 44 R CA 1.393 57.717 56.100 0.373 0.000 0.963 44 R CB -0.447 30.099 30.300 0.410 0.000 0.858 44 R HN 0.520 8.790 8.270 -0.000 0.000 0.435 45 L N 1.476 122.710 121.223 0.019 0.000 2.319 45 L HA 0.246 4.592 4.340 0.010 0.000 0.281 45 L C 1.134 177.814 176.870 -0.318 0.000 1.005 45 L CA -0.507 54.090 54.840 -0.405 0.000 0.828 45 L CB 1.743 43.171 42.059 -1.051 0.000 1.227 45 L HN 0.288 8.518 8.230 -0.000 0.000 0.415 46 E N 3.620 123.744 120.200 -0.125 0.000 2.164 46 E HA -0.300 4.056 4.350 0.010 0.000 0.206 46 E C 1.344 177.854 176.600 -0.150 0.000 1.032 46 E CA 2.520 58.882 56.400 -0.064 0.000 0.832 46 E CB 0.255 29.925 29.700 -0.050 0.000 0.742 46 E HN 0.858 9.218 8.360 -0.000 0.000 0.460 47 E N -0.801 119.263 120.200 -0.227 0.000 2.396 47 E HA -0.179 4.177 4.350 0.010 0.000 0.200 47 E C 1.706 178.292 176.600 -0.025 0.000 1.023 47 E CA 0.792 57.106 56.400 -0.143 0.000 0.857 47 E CB -0.480 29.134 29.700 -0.144 0.000 0.775 47 E HN 0.257 8.617 8.360 -0.000 0.000 0.525 48 F N 1.582 121.462 119.950 -0.117 0.000 2.407 48 F HA 0.185 4.718 4.527 0.010 0.000 0.299 48 F C 2.556 177.913 175.800 -0.738 0.000 1.097 48 F CA 0.251 58.094 58.000 -0.261 0.000 1.422 48 F CB -0.741 38.189 39.000 -0.117 0.000 1.067 48 F HN 0.124 8.424 8.300 -0.000 0.000 0.539 49 A N -0.054 122.314 122.820 -0.754 0.000 2.070 49 A HA -0.179 4.147 4.320 0.010 0.000 0.220 49 A C 2.032 179.344 177.584 -0.452 0.000 1.159 49 A CA 1.291 52.771 52.037 -0.929 0.000 0.656 49 A CB -0.503 18.164 19.000 -0.556 0.000 0.800 49 A HN 0.171 8.321 8.150 -0.000 0.000 0.453 50 K N -1.302 118.921 120.400 -0.294 0.000 2.486 50 K HA 0.170 4.496 4.320 0.010 0.000 0.194 50 K C 0.414 176.688 176.600 -0.543 0.000 1.033 50 K CA 0.682 56.748 56.287 -0.367 0.000 1.004 50 K CB -0.239 32.021 32.500 -0.400 0.000 0.798 50 K HN 0.566 8.816 8.250 -0.000 0.000 0.495 51 F N -0.921 118.893 119.950 -0.226 0.000 2.724 51 F HA 0.433 4.966 4.527 0.010 0.000 0.306 51 F C 0.517 176.216 175.800 -0.168 0.000 1.100 51 F CA -0.377 57.524 58.000 -0.166 0.000 1.255 51 F CB 0.869 39.789 39.000 -0.133 0.000 1.072 51 F HN -0.135 8.165 8.300 -0.000 0.000 0.589 52 A N -0.520 122.233 122.820 -0.112 0.000 2.540 52 A HA 0.684 5.010 4.320 0.010 0.000 0.291 52 A C -0.891 176.689 177.584 -0.008 0.000 1.083 52 A CA -0.115 51.900 52.037 -0.037 0.000 0.650 52 A CB 0.685 19.722 19.000 0.061 0.000 1.292 52 A HN 0.044 8.194 8.150 -0.000 0.000 0.435 53 S N -0.669 115.139 115.700 0.180 0.000 2.685 53 S HA 0.918 5.395 4.470 0.010 0.000 0.282 53 S C -1.144 173.600 174.600 0.241 0.000 1.159 53 S CA -0.556 57.817 58.200 0.288 0.000 0.833 53 S CB 1.756 65.018 63.200 0.103 0.000 1.151 53 S HN 2.101 10.411 8.310 -0.000 0.000 0.485 54 F N 0.432 120.329 119.950 -0.089 0.000 2.639 54 F HA 0.430 4.963 4.527 0.010 0.000 0.326 54 F C -1.478 174.175 175.800 -0.245 0.000 1.150 54 F CA -0.446 57.383 58.000 -0.286 0.000 1.057 54 F CB 1.496 40.053 39.000 -0.737 0.000 1.300 54 F HN 0.771 9.071 8.300 -0.000 0.000 0.486 55 E N 4.943 124.580 120.200 -0.938 0.000 2.217 55 E HA 0.415 4.772 4.350 0.010 0.000 0.279 55 E C 0.651 176.892 176.600 -0.598 0.000 1.068 55 E CA 0.341 56.371 56.400 -0.616 0.000 0.882 55 E CB 1.456 30.858 29.700 -0.497 0.000 1.039 55 E HN 0.713 9.073 8.360 -0.000 0.000 0.418 56 A N 3.967 126.648 122.820 -0.231 0.000 1.933 56 A HA -0.244 4.082 4.320 0.010 0.000 0.218 56 A C 1.893 179.405 177.584 -0.120 0.000 1.175 56 A CA 1.157 53.143 52.037 -0.085 0.000 0.628 56 A CB -0.143 18.835 19.000 -0.036 0.000 0.814 56 A HN 0.548 8.698 8.150 -0.000 0.000 0.444 57 Q N -0.544 119.171 119.800 -0.141 0.000 2.096 57 Q HA -0.169 4.177 4.340 0.010 0.000 0.204 57 Q C 2.213 178.130 176.000 -0.137 0.000 0.982 57 Q CA 1.668 57.402 55.803 -0.115 0.000 0.850 57 Q CB -1.014 27.664 28.738 -0.100 0.000 0.901 57 Q HN 0.676 8.946 8.270 -0.000 0.000 0.422 58 G N 0.511 109.188 108.800 -0.204 0.000 2.450 58 G HA2 -0.179 3.787 3.960 0.010 0.000 0.220 58 G HA3 -0.179 3.787 3.960 0.010 0.000 0.220 58 G C 1.512 176.300 174.900 -0.187 0.000 1.130 58 G CA 1.174 46.162 45.100 -0.188 0.000 0.760 58 G HN 0.460 8.750 8.290 -0.000 0.000 0.557 59 A N 0.423 123.086 122.820 -0.263 0.000 1.898 59 A HA 0.246 4.572 4.320 0.010 0.000 0.214 59 A C 2.375 179.820 177.584 -0.232 0.000 1.183 59 A CA 0.820 52.532 52.037 -0.541 0.000 0.622 59 A CB -0.311 18.287 19.000 -0.670 0.000 0.824 59 A HN 0.320 8.470 8.150 -0.000 0.000 0.444 60 L N -0.599 120.556 121.223 -0.114 0.000 2.131 60 L HA -0.208 4.138 4.340 0.010 0.000 0.210 60 L C 3.065 179.913 176.870 -0.036 0.000 1.092 60 L CA 0.935 55.752 54.840 -0.040 0.000 0.759 60 L CB -0.591 41.452 42.059 -0.027 0.000 0.903 60 L HN 0.473 8.703 8.230 -0.000 0.000 0.435 61 A N 0.556 123.344 122.820 -0.054 0.000 1.858 61 A HA -0.249 4.077 4.320 0.010 0.000 0.216 61 A C 2.004 179.587 177.584 -0.002 0.000 1.190 61 A CA 2.203 54.221 52.037 -0.032 0.000 0.617 61 A CB -0.721 18.257 19.000 -0.038 0.000 0.827 61 A HN 0.394 8.544 8.150 -0.000 0.000 0.443 62 N N 0.049 118.760 118.700 0.019 0.000 2.094 62 N HA -0.149 4.597 4.740 0.010 0.000 0.191 62 N C 1.500 177.077 175.510 0.112 0.000 1.023 62 N CA 1.699 54.813 53.050 0.107 0.000 0.857 62 N CB -0.300 38.328 38.487 0.235 0.000 1.013 62 N HN 0.411 8.791 8.380 -0.000 0.000 0.426 63 I N 0.744 121.373 120.570 0.099 0.000 2.208 63 I HA -0.211 3.965 4.170 0.010 0.000 0.245 63 I C 2.224 178.324 176.117 -0.029 0.000 1.097 63 I CA 0.992 62.340 61.300 0.080 0.000 1.363 63 I CB -1.617 36.432 38.000 0.081 0.000 1.051 63 I HN 0.101 8.311 8.210 -0.000 0.000 0.413 64 A N 0.661 123.452 122.820 -0.049 0.000 1.908 64 A HA -0.164 4.162 4.320 0.010 0.000 0.218 64 A C 2.559 180.093 177.584 -0.083 0.000 1.181 64 A CA 1.949 53.926 52.037 -0.100 0.000 0.627 64 A CB -1.000 17.963 19.000 -0.062 0.000 0.818 64 A HN 0.259 8.409 8.150 -0.000 0.000 0.445 65 V N 0.685 120.585 119.914 -0.023 0.000 2.343 65 V HA -0.317 3.809 4.120 0.010 0.000 0.247 65 V C 2.122 178.217 176.094 0.003 0.000 1.051 65 V CA 2.364 64.664 62.300 -0.001 0.000 1.036 65 V CB -1.181 30.663 31.823 0.035 0.000 0.654 65 V HN 0.678 8.868 8.190 -0.000 0.000 0.451 66 N N -0.258 118.456 118.700 0.024 0.000 2.244 66 N HA -0.192 4.554 4.740 0.010 0.000 0.183 66 N C 1.885 177.402 175.510 0.012 0.000 1.016 66 N CA 1.063 54.152 53.050 0.065 0.000 0.866 66 N CB -0.156 38.419 38.487 0.147 0.000 0.980 66 N HN 0.470 8.850 8.380 -0.000 0.000 0.430 67 K N 1.060 121.348 120.400 -0.186 0.000 2.057 67 K HA -0.024 4.303 4.320 0.010 0.000 0.206 67 K C 2.039 178.550 176.600 -0.148 0.000 1.050 67 K CA 1.090 57.124 56.287 -0.423 0.000 0.935 67 K CB -0.040 31.987 32.500 -0.789 0.000 0.715 67 K HN 0.116 8.366 8.250 -0.000 0.000 0.439 68 A N 1.533 124.294 122.820 -0.098 0.000 1.873 68 A HA -0.160 4.167 4.320 0.010 0.000 0.215 68 A C 1.784 179.366 177.584 -0.002 0.000 1.186 68 A CA 1.658 53.670 52.037 -0.041 0.000 0.616 68 A CB -0.636 18.344 19.000 -0.032 0.000 0.823 68 A HN 0.363 8.513 8.150 -0.000 0.000 0.442 69 N N -0.129 118.578 118.700 0.012 0.000 2.166 69 N HA -0.130 4.616 4.740 0.010 0.000 0.186 69 N C 1.536 177.077 175.510 0.052 0.000 1.019 69 N CA 1.338 54.408 53.050 0.034 0.000 0.856 69 N CB -0.566 37.948 38.487 0.045 0.000 0.993 69 N HN 0.415 8.795 8.380 -0.000 0.000 0.426 70 L N 1.611 122.881 121.223 0.077 0.000 2.079 70 L HA -0.130 4.216 4.340 0.010 0.000 0.210 70 L C 1.365 178.282 176.870 0.078 0.000 1.081 70 L CA 1.845 56.751 54.840 0.111 0.000 0.752 70 L CB -0.694 41.494 42.059 0.215 0.000 0.896 70 L HN 0.005 8.235 8.230 -0.000 0.000 0.433 71 D N -0.871 119.565 120.400 0.060 0.000 2.117 71 D HA -0.142 4.505 4.640 0.010 0.000 0.197 71 D C 2.331 178.648 176.300 0.030 0.000 0.987 71 D CA 1.588 55.614 54.000 0.043 0.000 0.829 71 D CB -0.147 40.670 40.800 0.030 0.000 0.961 71 D HN 0.287 8.657 8.370 -0.000 0.000 0.460 72 V N 1.282 121.212 119.914 0.026 0.000 2.295 72 V HA -0.252 3.874 4.120 0.010 0.000 0.246 72 V C 2.472 178.578 176.094 0.020 0.000 1.049 72 V CA 1.207 63.518 62.300 0.019 0.000 1.024 72 V CB -0.340 31.494 31.823 0.018 0.000 0.648 72 V HN 0.198 8.388 8.190 -0.000 0.000 0.447 73 M N -0.345 119.271 119.600 0.027 0.000 2.159 73 M HA -0.163 4.323 4.480 0.010 0.000 0.263 73 M C 2.091 178.401 176.300 0.017 0.000 1.063 73 M CA 1.596 56.909 55.300 0.022 0.000 1.110 73 M CB -1.216 31.403 32.600 0.031 0.000 1.374 73 M HN 0.343 8.633 8.290 -0.000 0.000 0.411 74 K N -0.276 120.137 120.400 0.021 0.000 2.057 74 K HA -0.142 4.185 4.320 0.010 0.000 0.207 74 K C 1.996 178.600 176.600 0.006 0.000 1.049 74 K CA 0.895 57.190 56.287 0.012 0.000 0.931 74 K CB -0.045 32.466 32.500 0.017 0.000 0.714 74 K HN 0.291 8.541 8.250 -0.000 0.000 0.440 75 E N 0.657 120.862 120.200 0.008 0.000 2.047 75 E HA -0.178 4.178 4.350 0.010 0.000 0.191 75 E C 1.995 178.597 176.600 0.002 0.000 0.987 75 E CA 0.940 57.343 56.400 0.005 0.000 0.799 75 E CB -0.109 29.595 29.700 0.006 0.000 0.752 75 E HN 0.208 8.568 8.360 -0.000 0.000 0.449 76 R N 0.910 121.412 120.500 0.004 0.000 2.241 76 R HA -0.081 4.265 4.340 0.010 0.000 0.224 76 R C 1.722 178.021 176.300 -0.002 0.000 1.101 76 R CA 1.462 57.563 56.100 0.002 0.000 0.995 76 R CB 0.084 30.386 30.300 0.004 0.000 0.870 76 R HN 0.097 8.367 8.270 -0.000 0.000 0.463 77 S N -1.240 114.458 115.700 -0.003 0.000 2.629 77 S HA 0.054 4.531 4.470 0.010 0.000 0.236 77 S C 0.188 174.782 174.600 -0.010 0.000 1.010 77 S CA 0.007 58.202 58.200 -0.008 0.000 0.981 77 S CB 0.185 63.379 63.200 -0.010 0.000 0.919 77 S HN 0.460 8.770 8.310 -0.000 0.000 0.514 78 N N 2.370 121.065 118.700 -0.008 0.000 2.738 78 N HA -0.234 4.512 4.740 0.010 0.000 0.249 78 N C -0.478 175.024 175.510 -0.013 0.000 1.047 78 N CA 0.940 53.985 53.050 -0.009 0.000 0.707 78 N CB -2.331 36.150 38.487 -0.010 0.000 0.937 78 N HN 0.566 8.946 8.380 -0.000 0.000 0.545 79 N N -2.014 116.679 118.700 -0.012 0.000 2.708 79 N HA -0.188 4.559 4.740 0.010 0.000 0.249 79 N C -1.146 174.349 175.510 -0.024 0.000 1.097 79 N CA 1.720 54.759 53.050 -0.018 0.000 0.710 79 N CB -1.266 37.210 38.487 -0.019 0.000 1.032 79 N HN 0.540 8.920 8.380 -0.000 0.000 0.551 80 T N 1.601 116.142 114.554 -0.022 0.000 2.761 80 T HA 0.371 4.727 4.350 0.010 0.000 0.296 80 T C -1.499 173.183 174.700 -0.031 0.000 0.934 80 T CA -0.757 61.328 62.100 -0.026 0.000 1.091 80 T CB 1.274 70.129 68.868 -0.022 0.000 0.896 80 T HN 0.107 8.347 8.240 -0.000 0.000 0.515 81 P HA 0.571 4.991 4.420 -0.000 0.000 0.283 81 P C -0.955 176.322 177.300 -0.037 0.000 1.271 81 P CA -0.690 62.384 63.100 -0.043 0.000 0.841 81 P CB 1.312 32.978 31.700 -0.058 0.000 1.122 82 D N -0.880 119.498 120.400 -0.037 0.000 2.384 82 D HA 0.512 5.158 4.640 0.010 0.000 0.250 82 D C -0.224 176.066 176.300 -0.017 0.000 1.029 82 D CA -0.347 53.636 54.000 -0.028 0.000 0.990 82 D CB 1.670 42.451 40.800 -0.031 0.000 1.175 82 D HN 0.443 8.813 8.370 -0.000 0.000 0.532 83 A N 1.021 123.840 122.820 -0.002 0.000 2.371 83 A HA 0.244 4.570 4.320 0.010 0.000 0.257 83 A C 0.356 177.968 177.584 0.046 0.000 1.089 83 A CA -0.464 51.583 52.037 0.016 0.000 0.794 83 A CB 0.122 19.135 19.000 0.022 0.000 1.029 83 A HN 0.452 8.602 8.150 -0.000 0.000 0.488 84 N N 0.452 119.191 118.700 0.066 0.000 2.513 84 N HA 0.238 4.984 4.740 0.010 0.000 0.268 84 N C -0.866 174.750 175.510 0.176 0.000 1.180 84 N CA 0.064 53.193 53.050 0.132 0.000 0.948 84 N CB 1.339 39.903 38.487 0.129 0.000 1.083 84 N HN 0.313 8.693 8.380 -0.000 0.000 0.455 85 V N 1.972 122.030 119.914 0.240 0.000 2.311 85 V HA 0.301 4.427 4.120 0.010 0.000 0.275 85 V C 0.619 176.825 176.094 0.186 0.000 1.022 85 V CA -0.937 61.473 62.300 0.184 0.000 0.830 85 V CB 0.717 32.631 31.823 0.152 0.000 1.012 85 V HN 0.728 8.918 8.190 -0.000 0.000 0.452 86 A N 8.844 131.743 122.820 0.133 0.000 2.466 86 A HA 0.589 4.915 4.320 0.010 0.000 0.238 86 A C -1.984 175.554 177.584 -0.077 0.000 1.074 86 A CA -0.763 51.295 52.037 0.036 0.000 0.774 86 A CB 0.006 19.031 19.000 0.041 0.000 1.015 86 A HN 0.637 8.787 8.150 -0.000 0.000 0.498 87 P HA 0.330 4.750 4.420 -0.000 0.000 0.282 87 P C -0.827 176.361 177.300 -0.187 0.000 1.259 87 P CA -0.454 62.514 63.100 -0.220 0.000 0.826 87 P CB 1.147 32.496 31.700 -0.585 0.000 1.064 88 E N 0.209 120.314 120.200 -0.160 0.000 2.249 88 E HA 0.390 4.746 4.350 0.010 0.000 0.280 88 E C -0.751 175.725 176.600 -0.206 0.000 1.016 88 E CA -0.819 55.497 56.400 -0.139 0.000 0.830 88 E CB 1.288 30.929 29.700 -0.098 0.000 1.081 88 E HN 0.163 8.523 8.360 -0.000 0.000 0.395 89 V N 2.981 122.797 119.914 -0.163 0.000 2.540 89 V HA 0.399 4.525 4.120 0.010 0.000 0.302 89 V C -0.270 175.780 176.094 -0.073 0.000 1.035 89 V CA -0.558 61.634 62.300 -0.180 0.000 0.873 89 V CB 2.118 33.815 31.823 -0.210 0.000 0.992 89 V HN 0.686 8.876 8.190 -0.000 0.000 0.428 90 T N 3.775 118.316 114.554 -0.021 0.000 2.881 90 T HA 0.580 4.937 4.350 0.010 0.000 0.290 90 T C -0.812 173.940 174.700 0.087 0.000 1.000 90 T CA -0.403 61.745 62.100 0.080 0.000 0.978 90 T CB 1.841 70.817 68.868 0.179 0.000 0.997 90 T HN 0.327 8.567 8.240 -0.000 0.000 0.443 91 V N 5.606 125.583 119.914 0.106 0.000 2.378 91 V HA 0.682 4.808 4.120 0.010 0.000 0.288 91 V C -0.238 175.940 176.094 0.141 0.000 1.016 91 V CA -0.736 61.624 62.300 0.100 0.000 0.840 91 V CB 0.899 32.787 31.823 0.109 0.000 0.994 91 V HN 0.768 8.958 8.190 -0.000 0.000 0.431 92 L N 2.846 124.102 121.223 0.055 0.000 2.359 92 L HA 0.928 5.275 4.340 0.010 0.000 0.256 92 L C 0.030 176.847 176.870 -0.089 0.000 1.026 92 L CA -0.695 54.194 54.840 0.081 0.000 0.828 92 L CB 2.439 44.583 42.059 0.143 0.000 1.406 92 L HN 0.542 8.772 8.230 -0.000 0.000 0.413 93 S N -0.035 115.666 115.700 0.002 0.000 2.565 93 S HA 0.308 4.784 4.470 0.010 0.000 0.274 93 S C 0.784 175.420 174.600 0.060 0.000 1.309 93 S CA -0.381 57.798 58.200 -0.036 0.000 1.043 93 S CB 1.558 64.868 63.200 0.183 0.000 0.939 93 S HN 0.939 9.249 8.310 -0.000 0.000 0.504 94 R N 1.598 122.131 120.500 0.055 0.000 2.148 94 R HA -0.028 4.318 4.340 0.010 0.000 0.227 94 R C 0.291 176.623 176.300 0.054 0.000 1.103 94 R CA 1.332 57.471 56.100 0.064 0.000 0.983 94 R CB -0.160 30.162 30.300 0.038 0.000 0.874 94 R HN 0.890 9.160 8.270 -0.000 0.000 0.451 95 S N -1.325 114.414 115.700 0.065 0.000 2.596 95 S HA 0.451 4.927 4.470 0.010 0.000 0.270 95 S C -2.974 171.686 174.600 0.100 0.000 1.155 95 S CA -1.728 56.509 58.200 0.062 0.000 0.827 95 S CB 1.981 65.195 63.200 0.023 0.000 1.130 95 S HN -0.117 8.193 8.310 -0.000 0.000 0.467 96 P HA 0.067 4.487 4.420 -0.000 0.000 0.261 96 P C -0.904 176.480 177.300 0.140 0.000 1.158 96 P CA 0.106 63.285 63.100 0.131 0.000 0.758 96 P CB 0.169 31.925 31.700 0.093 0.000 0.763 97 V N 5.399 125.455 119.914 0.236 0.000 2.407 97 V HA 0.269 4.395 4.120 0.010 0.000 0.278 97 V C 0.314 176.481 176.094 0.123 0.000 1.037 97 V CA -0.204 62.218 62.300 0.203 0.000 0.900 97 V CB 0.887 32.966 31.823 0.428 0.000 0.983 97 V HN 0.508 8.698 8.190 -0.000 0.000 0.459 98 N N 4.403 123.066 118.700 -0.063 0.000 2.354 98 N HA 0.482 5.229 4.740 0.010 0.000 0.287 98 N C -0.497 174.872 175.510 -0.236 0.000 1.016 98 N CA -0.622 52.383 53.050 -0.076 0.000 0.871 98 N CB 2.514 40.988 38.487 -0.022 0.000 1.299 98 N HN 0.505 8.885 8.380 -0.000 0.000 0.482 99 L N 0.886 121.946 121.223 -0.271 0.000 2.605 99 L HA -0.113 4.233 4.340 0.010 0.000 0.296 99 L C 1.697 178.472 176.870 -0.158 0.000 1.255 99 L CA 0.911 55.599 54.840 -0.254 0.000 0.879 99 L CB -0.095 41.915 42.059 -0.083 0.000 1.124 99 L HN 0.938 9.168 8.230 -0.000 0.000 0.507 100 G N 2.030 110.738 108.800 -0.154 0.000 2.238 100 G HA2 -0.307 3.659 3.960 0.010 0.000 0.270 100 G HA3 -0.307 3.659 3.960 0.010 0.000 0.270 100 G C 0.299 175.111 174.900 -0.146 0.000 0.977 100 G CA 0.396 45.425 45.100 -0.119 0.000 0.639 100 G HN 0.712 9.002 8.290 -0.000 0.000 0.544 101 E N 1.445 121.532 120.200 -0.188 0.000 2.055 101 E HA 0.350 4.706 4.350 0.010 0.000 0.274 101 E C -2.464 173.963 176.600 -0.289 0.000 0.949 101 E CA -2.080 54.206 56.400 -0.189 0.000 0.775 101 E CB 1.120 30.733 29.700 -0.144 0.000 1.097 101 E HN 0.121 8.481 8.360 -0.000 0.000 0.404 102 P HA -0.141 4.279 4.420 -0.000 0.000 0.257 102 P C -0.571 176.494 177.300 -0.392 0.000 1.162 102 P CA 0.661 63.546 63.100 -0.360 0.000 0.762 102 P CB 0.392 31.957 31.700 -0.226 0.000 0.753 103 N N 2.961 121.277 118.700 -0.641 0.000 3.283 103 N HA 0.554 5.300 4.740 0.010 0.000 0.338 103 N C -1.160 174.229 175.510 -0.202 0.000 1.517 103 N CA -0.628 52.164 53.050 -0.429 0.000 0.733 103 N CB 1.347 39.580 38.487 -0.424 0.000 1.797 103 N HN 0.092 8.472 8.380 -0.000 0.000 0.637 104 I N 1.609 122.245 120.570 0.110 0.000 2.569 104 I HA 0.341 4.517 4.170 0.010 0.000 0.290 104 I C -0.606 175.542 176.117 0.051 0.000 1.088 104 I CA -0.585 60.792 61.300 0.128 0.000 1.047 104 I CB 2.487 40.485 38.000 -0.002 0.000 1.237 104 I HN 0.263 8.473 8.210 -0.000 0.000 0.421 105 L N 6.360 127.430 121.223 -0.255 0.000 2.307 105 L HA 0.545 4.892 4.340 0.010 0.000 0.282 105 L C -0.468 176.415 176.870 0.023 0.000 1.051 105 L CA -0.617 53.932 54.840 -0.484 0.000 0.804 105 L CB 1.609 43.045 42.059 -1.038 0.000 1.197 105 L HN 0.439 8.669 8.230 -0.000 0.000 0.431 106 I N 2.609 123.261 120.570 0.136 0.000 2.354 106 I HA 0.187 4.363 4.170 0.010 0.000 0.292 106 I C -0.400 175.878 176.117 0.268 0.000 0.989 106 I CA -0.324 61.164 61.300 0.314 0.000 1.188 106 I CB 1.910 40.097 38.000 0.313 0.000 1.342 106 I HN 0.550 8.760 8.210 -0.000 0.000 0.457 107 c N 7.955 126.694 118.600 0.231 0.000 2.225 107 c HA 0.395 4.971 4.570 0.010 0.000 0.323 107 c C -0.203 173.878 174.090 -0.015 0.000 1.164 107 c CA -0.623 55.679 56.329 -0.044 0.000 1.565 107 c CB -0.830 41.395 42.510 -0.475 0.000 2.124 107 c HN 0.580 8.810 8.230 -0.000 0.000 0.461 108 F N 7.528 127.370 119.950 -0.181 0.000 2.421 108 F HA 0.604 5.137 4.527 0.010 0.000 0.358 108 F C -0.055 175.577 175.800 -0.281 0.000 1.115 108 F CA -1.139 56.668 58.000 -0.320 0.000 1.160 108 F CB 0.440 39.289 39.000 -0.251 0.000 1.123 108 F HN 0.458 8.758 8.300 -0.000 0.000 0.508 109 I N 5.990 126.144 120.570 -0.694 0.000 2.330 109 I HA 0.280 4.457 4.170 0.010 0.000 0.289 109 I C -0.711 175.026 176.117 -0.634 0.000 1.001 109 I CA -0.570 60.370 61.300 -0.601 0.000 1.193 109 I CB 1.281 38.991 38.000 -0.483 0.000 1.345 109 I HN 0.426 8.636 8.210 -0.000 0.000 0.461 110 D N 5.181 125.244 120.400 -0.562 0.000 2.490 110 D HA 0.351 4.997 4.640 0.010 0.000 0.232 110 D C -0.547 175.732 176.300 -0.035 0.000 1.053 110 D CA -0.617 53.140 54.000 -0.405 0.000 0.914 110 D CB 1.662 42.062 40.800 -0.667 0.000 1.431 110 D HN 0.353 8.723 8.370 -0.000 0.000 0.483 111 K N 0.786 121.137 120.400 -0.082 0.000 3.257 111 K HA -0.200 4.126 4.320 0.010 0.000 0.270 111 K C -0.732 175.881 176.600 0.022 0.000 0.984 111 K CA 0.659 56.895 56.287 -0.084 0.000 0.739 111 K CB -1.721 30.734 32.500 -0.077 0.000 1.351 111 K HN 0.359 8.609 8.250 -0.000 0.000 0.463 112 F N -2.843 117.028 119.950 -0.132 0.000 2.664 112 F HA 0.842 5.375 4.527 0.010 0.000 0.329 112 F C -0.221 175.593 175.800 0.024 0.000 1.090 112 F CA -1.285 56.624 58.000 -0.151 0.000 0.978 112 F CB 2.211 40.962 39.000 -0.416 0.000 1.378 112 F HN -0.131 8.169 8.300 -0.000 0.000 0.495 113 S N 1.123 116.970 115.700 0.244 0.000 2.606 113 S HA 0.505 4.981 4.470 0.010 0.000 0.290 113 S C -3.186 171.628 174.600 0.357 0.000 1.103 113 S CA -0.963 57.364 58.200 0.211 0.000 0.870 113 S CB 1.681 64.998 63.200 0.196 0.000 1.077 113 S HN 0.675 8.985 8.310 -0.000 0.000 0.448 114 P HA 0.293 4.713 4.420 -0.000 0.000 0.273 114 P C -2.740 174.420 177.300 -0.232 0.000 1.250 114 P CA -1.281 61.769 63.100 -0.084 0.000 0.793 114 P CB -0.374 31.246 31.700 -0.133 0.000 1.011 115 P HA 0.082 4.502 4.420 -0.000 0.000 0.237 115 P C -0.772 175.661 177.300 -1.444 0.000 1.788 115 P CA 0.073 62.196 63.100 -1.628 0.000 1.061 115 P CB -0.385 29.700 31.700 -2.692 0.000 1.967 116 V N 1.083 120.774 119.914 -0.371 0.000 2.817 116 V HA 0.688 4.814 4.120 0.010 0.000 0.303 116 V C -0.099 176.161 176.094 0.277 0.000 1.151 116 V CA -1.189 61.121 62.300 0.016 0.000 0.929 116 V CB 2.001 33.849 31.823 0.042 0.000 1.030 116 V HN 0.216 8.406 8.190 -0.000 0.000 0.427 117 V N 0.176 120.266 119.914 0.294 0.000 3.147 117 V HA 0.730 4.856 4.120 0.010 0.000 0.299 117 V C -1.401 174.678 176.094 -0.023 0.000 1.302 117 V CA -0.735 61.606 62.300 0.069 0.000 1.015 117 V CB 2.521 34.293 31.823 -0.085 0.000 1.086 117 V HN 0.799 8.989 8.190 -0.000 0.000 0.437 118 N N 1.161 119.772 118.700 -0.149 0.000 2.417 118 N HA 0.727 5.474 4.740 0.010 0.000 0.274 118 N C -1.037 174.327 175.510 -0.243 0.000 0.987 118 N CA -0.245 52.712 53.050 -0.154 0.000 0.912 118 N CB 2.087 40.472 38.487 -0.170 0.000 1.177 118 N HN 0.697 9.077 8.380 -0.000 0.000 0.490 119 V N 1.724 121.475 119.914 -0.272 0.000 2.495 119 V HA 0.508 4.634 4.120 0.010 0.000 0.298 119 V C -0.001 175.930 176.094 -0.273 0.000 1.031 119 V CA -0.469 61.565 62.300 -0.443 0.000 0.871 119 V CB 1.921 33.169 31.823 -0.960 0.000 0.988 119 V HN 0.552 8.742 8.190 -0.000 0.000 0.432 120 T N 3.797 118.191 114.554 -0.267 0.000 2.840 120 T HA 0.393 4.749 4.350 0.010 0.000 0.287 120 T C -0.850 173.793 174.700 -0.094 0.000 0.991 120 T CA -0.285 61.750 62.100 -0.108 0.000 0.964 120 T CB 0.770 69.598 68.868 -0.067 0.000 0.954 120 T HN 0.592 8.832 8.240 -0.000 0.000 0.438 121 W N 3.367 124.656 121.300 -0.018 0.000 2.315 121 W HA 0.628 5.293 4.660 0.009 0.000 0.316 121 W C -0.436 176.086 176.519 0.005 0.000 1.211 121 W CA -0.781 56.566 57.345 0.005 0.000 1.201 121 W CB 0.773 30.254 29.460 0.036 0.000 1.184 121 W HN 0.345 8.525 8.180 -0.000 0.000 0.544 122 L N 4.334 125.773 121.223 0.359 0.000 2.381 122 L HA 0.503 4.849 4.340 0.010 0.000 0.274 122 L C -0.164 176.719 176.870 0.022 0.000 0.988 122 L CA -1.062 53.862 54.840 0.139 0.000 0.824 122 L CB 1.865 43.965 42.059 0.070 0.000 1.263 122 L HN 0.336 8.566 8.230 -0.000 0.000 0.410 123 R N 3.941 124.341 120.500 -0.165 0.000 2.343 123 R HA 0.333 4.679 4.340 0.010 0.000 0.320 123 R C -0.355 175.581 176.300 -0.607 0.000 0.956 123 R CA -0.419 55.359 56.100 -0.537 0.000 0.836 123 R CB 0.690 30.771 30.300 -0.364 0.000 1.151 123 R HN 0.719 8.989 8.270 -0.000 0.000 0.450 124 N N 3.264 121.293 118.700 -1.118 0.000 2.727 124 N HA -0.207 4.539 4.740 0.010 0.000 0.249 124 N C 0.490 175.680 175.510 -0.532 0.000 1.048 124 N CA 1.585 53.907 53.050 -1.213 0.000 0.714 124 N CB -1.082 37.161 38.487 -0.407 0.000 0.959 124 N HN 1.102 9.482 8.380 -0.000 0.000 0.544 125 G N -0.643 107.877 108.800 -0.466 0.000 2.166 125 G HA2 -0.378 3.588 3.960 0.010 0.000 0.260 125 G HA3 -0.378 3.588 3.960 0.010 0.000 0.260 125 G C 0.067 174.936 174.900 -0.051 0.000 0.986 125 G CA 0.840 45.899 45.100 -0.069 0.000 0.683 125 G HN 0.765 9.055 8.290 -0.000 0.000 0.527 126 R N 0.370 120.809 120.500 -0.102 0.000 2.494 126 R HA 0.574 4.920 4.340 0.010 0.000 0.305 126 R C -2.704 173.585 176.300 -0.018 0.000 0.959 126 R CA -2.253 53.819 56.100 -0.046 0.000 0.864 126 R CB 1.680 31.950 30.300 -0.050 0.000 1.159 126 R HN -0.005 8.265 8.270 -0.000 0.000 0.446 127 P HA -0.051 4.369 4.420 -0.000 0.000 0.262 127 P C -1.176 176.156 177.300 0.054 0.000 1.182 127 P CA 0.005 63.131 63.100 0.044 0.000 0.761 127 P CB 0.724 32.445 31.700 0.034 0.000 0.795 128 V N 3.058 123.031 119.914 0.098 0.000 2.540 128 V HA 0.366 4.492 4.120 0.010 0.000 0.302 128 V C 1.069 177.227 176.094 0.107 0.000 1.035 128 V CA -0.105 62.248 62.300 0.088 0.000 0.873 128 V CB 1.614 33.490 31.823 0.088 0.000 0.992 128 V HN 0.682 8.872 8.190 -0.000 0.000 0.428 129 T N -0.760 113.838 114.554 0.073 0.000 2.958 129 T HA 0.253 4.609 4.350 0.010 0.000 0.256 129 T C 0.307 175.041 174.700 0.057 0.000 0.983 129 T CA -0.204 61.943 62.100 0.078 0.000 0.924 129 T CB 0.327 69.234 68.868 0.064 0.000 1.136 129 T HN 0.514 8.754 8.240 -0.000 0.000 0.506 130 E N 1.620 121.842 120.200 0.036 0.000 2.259 130 E HA 0.476 4.832 4.350 0.010 0.000 0.281 130 E C 0.986 177.588 176.600 0.003 0.000 1.027 130 E CA 0.211 56.624 56.400 0.021 0.000 0.838 130 E CB 1.086 30.795 29.700 0.014 0.000 1.066 130 E HN 0.529 8.889 8.360 -0.000 0.000 0.401 131 G N 1.762 110.564 108.800 0.002 0.000 2.148 131 G HA2 -0.284 3.682 3.960 0.010 0.000 0.254 131 G HA3 -0.284 3.682 3.960 0.010 0.000 0.254 131 G C 0.395 175.280 174.900 -0.025 0.000 0.981 131 G CA 0.470 45.559 45.100 -0.018 0.000 0.670 131 G HN 0.507 8.797 8.290 -0.000 0.000 0.528 132 V N -1.503 118.422 119.914 0.019 0.000 2.716 132 V HA 0.980 5.107 4.120 0.010 0.000 0.304 132 V C 0.324 176.497 176.094 0.131 0.000 1.053 132 V CA 0.246 62.590 62.300 0.074 0.000 0.984 132 V CB 1.684 33.617 31.823 0.183 0.000 1.021 132 V HN 1.687 9.877 8.190 -0.000 0.000 0.467 133 S N 1.540 117.360 115.700 0.200 0.000 2.688 133 S HA 0.860 5.336 4.470 0.010 0.000 0.275 133 S C -0.991 173.668 174.600 0.098 0.000 1.175 133 S CA -0.240 58.062 58.200 0.170 0.000 0.818 133 S CB 2.150 65.469 63.200 0.198 0.000 1.157 133 S HN 1.568 9.878 8.310 -0.000 0.000 0.482 134 E N -0.756 119.453 120.200 0.014 0.000 2.409 134 E HA 0.541 4.898 4.350 0.010 0.000 0.280 134 E C -1.085 175.464 176.600 -0.085 0.000 1.079 134 E CA -1.040 55.205 56.400 -0.257 0.000 0.840 134 E CB 0.979 30.237 29.700 -0.737 0.000 1.309 134 E HN 0.839 9.199 8.360 -0.000 0.000 0.447 135 T N -1.624 112.868 114.554 -0.104 0.000 2.910 135 T HA 0.680 5.036 4.350 0.010 0.000 0.279 135 T C 0.842 175.438 174.700 -0.174 0.000 0.989 135 T CA -0.166 61.921 62.100 -0.021 0.000 0.968 135 T CB 1.129 70.075 68.868 0.129 0.000 1.135 135 T HN 0.778 9.018 8.240 -0.000 0.000 0.562 136 V N -1.924 117.872 119.914 -0.197 0.000 3.556 136 V HA 0.599 4.725 4.120 0.010 0.000 0.292 136 V C -0.089 175.911 176.094 -0.157 0.000 1.030 136 V CA -1.334 60.817 62.300 -0.249 0.000 1.009 136 V CB -0.428 31.232 31.823 -0.272 0.000 1.242 136 V HN 0.732 8.922 8.190 -0.000 0.000 0.431 137 F N 1.698 121.740 119.950 0.153 0.000 2.502 137 F HA 0.479 5.012 4.527 0.010 0.000 0.371 137 F C 0.440 176.409 175.800 0.282 0.000 1.083 137 F CA 0.081 58.213 58.000 0.220 0.000 1.174 137 F CB -0.169 38.910 39.000 0.132 0.000 1.096 137 F HN 0.266 8.566 8.300 -0.000 0.000 0.545 138 L N 5.952 127.384 121.223 0.349 0.000 2.375 138 L HA 0.521 4.868 4.340 0.010 0.000 0.268 138 L C -2.098 174.871 176.870 0.165 0.000 1.058 138 L CA -2.171 52.819 54.840 0.251 0.000 0.803 138 L CB 1.048 43.255 42.059 0.246 0.000 1.212 138 L HN 0.336 8.566 8.230 -0.000 0.000 0.451 139 P HA 0.412 4.832 4.420 -0.000 0.000 0.282 139 P C -1.120 176.110 177.300 -0.117 0.000 1.259 139 P CA -0.554 62.470 63.100 -0.128 0.000 0.826 139 P CB 1.790 33.415 31.700 -0.124 0.000 1.064 140 R N 0.025 120.400 120.500 -0.207 0.000 3.151 140 R HA 0.318 4.665 4.340 0.010 0.000 0.231 140 R C 0.958 177.164 176.300 -0.157 0.000 1.511 140 R CA -0.708 55.301 56.100 -0.152 0.000 1.047 140 R CB 0.381 30.564 30.300 -0.196 0.000 1.565 140 R HN 0.330 8.600 8.270 -0.000 0.000 0.513 141 D N 0.449 120.772 120.400 -0.128 0.000 2.323 141 D HA -0.059 4.587 4.640 0.010 0.000 0.209 141 D C 0.090 176.314 176.300 -0.127 0.000 0.973 141 D CA 1.146 55.080 54.000 -0.110 0.000 0.874 141 D CB 0.091 40.844 40.800 -0.078 0.000 0.930 141 D HN 0.429 8.799 8.370 -0.000 0.000 0.521 142 D N -0.784 119.507 120.400 -0.181 0.000 2.424 142 D HA 0.009 4.655 4.640 0.010 0.000 0.239 142 D C 1.194 177.354 176.300 -0.233 0.000 1.246 142 D CA -0.178 53.711 54.000 -0.185 0.000 1.129 142 D CB -0.541 40.106 40.800 -0.255 0.000 1.199 142 D HN 0.162 8.532 8.370 -0.000 0.000 0.584 143 H N -1.864 117.084 119.070 -0.203 0.000 2.622 143 H HA 0.433 4.996 4.556 0.010 0.000 0.269 143 H C 0.359 175.458 175.328 -0.380 0.000 0.977 143 H CA -0.512 55.383 56.048 -0.255 0.000 1.179 143 H CB -0.269 29.405 29.762 -0.146 0.000 1.458 143 H HN 0.026 8.306 8.280 -0.000 0.000 0.531 144 L N 0.337 121.134 121.223 -0.710 0.000 2.469 144 L HA 0.334 4.680 4.340 0.010 0.000 0.253 144 L C -0.555 175.891 176.870 -0.706 0.000 1.143 144 L CA -0.928 53.585 54.840 -0.545 0.000 0.804 144 L CB 0.617 42.400 42.059 -0.460 0.000 1.214 144 L HN 0.092 8.322 8.230 -0.000 0.000 0.476 145 F N -0.596 118.981 119.950 -0.621 0.000 2.575 145 F HA 0.671 5.205 4.527 0.011 0.000 0.330 145 F C 0.045 175.436 175.800 -0.681 0.000 1.056 145 F CA -0.836 56.785 58.000 -0.631 0.000 0.964 145 F CB 1.486 40.059 39.000 -0.712 0.000 1.258 145 F HN 0.344 8.644 8.300 -0.000 0.000 0.484 146 R N 0.863 121.305 120.500 -0.097 0.000 2.808 146 R HA 0.854 5.200 4.340 0.010 0.000 0.272 146 R C -1.726 174.647 176.300 0.121 0.000 0.995 146 R CA -1.162 54.920 56.100 -0.031 0.000 0.917 146 R CB 2.865 33.132 30.300 -0.055 0.000 1.217 146 R HN 0.697 8.967 8.270 -0.000 0.000 0.471 147 K N 1.526 121.926 120.400 0.001 0.000 2.578 147 K HA 0.397 4.724 4.320 0.010 0.000 0.269 147 K C -1.886 174.637 176.600 -0.128 0.000 0.941 147 K CA -0.681 55.626 56.287 0.034 0.000 0.847 147 K CB 1.800 34.337 32.500 0.062 0.000 1.397 147 K HN 0.452 8.702 8.250 -0.000 0.000 0.422 148 F N 1.562 121.519 119.950 0.011 0.000 2.508 148 F HA 0.452 4.985 4.527 0.010 0.000 0.325 148 F C -0.117 175.462 175.800 -0.367 0.000 1.090 148 F CA -0.500 57.417 58.000 -0.137 0.000 0.945 148 F CB 1.678 40.510 39.000 -0.280 0.000 1.156 148 F HN 0.485 8.785 8.300 -0.000 0.000 0.463 149 H N 0.816 119.717 119.070 -0.283 0.000 2.690 149 H HA 0.611 5.173 4.556 0.010 0.000 0.368 149 H C -1.459 173.813 175.328 -0.093 0.000 1.150 149 H CA -0.904 55.050 56.048 -0.156 0.000 1.174 149 H CB 1.616 31.319 29.762 -0.097 0.000 1.684 149 H HN 0.416 8.696 8.280 -0.000 0.000 0.538 150 Y N 1.115 121.716 120.300 0.501 0.000 2.512 150 Y HA 0.491 5.047 4.550 0.009 0.000 0.348 150 Y C -1.108 174.788 175.900 -0.006 0.000 0.990 150 Y CA -1.106 57.166 58.100 0.286 0.000 1.033 150 Y CB 1.862 40.386 38.460 0.107 0.000 1.259 150 Y HN 0.410 8.690 8.280 -0.000 0.000 0.461 151 L N 2.837 123.887 121.223 -0.288 0.000 2.491 151 L HA 0.549 4.895 4.340 0.010 0.000 0.267 151 L C -0.360 176.294 176.870 -0.359 0.000 0.971 151 L CA -0.447 53.951 54.840 -0.737 0.000 0.857 151 L CB 1.467 42.360 42.059 -1.944 0.000 1.226 151 L HN 0.731 8.961 8.230 -0.000 0.000 0.408 152 T N 1.932 116.385 114.554 -0.167 0.000 2.901 152 T HA 0.622 4.978 4.350 0.010 0.000 0.301 152 T C -0.261 174.455 174.700 0.027 0.000 1.012 152 T CA -0.177 61.890 62.100 -0.054 0.000 1.135 152 T CB 0.389 69.214 68.868 -0.072 0.000 0.936 152 T HN 0.565 8.805 8.240 -0.000 0.000 0.539 153 F N 1.249 121.048 119.950 -0.251 0.000 2.645 153 F HA 0.711 5.244 4.527 0.010 0.000 0.310 153 F C -1.944 173.778 175.800 -0.131 0.000 1.102 153 F CA -2.441 55.441 58.000 -0.196 0.000 0.952 153 F CB 1.034 39.810 39.000 -0.374 0.000 1.326 153 F HN 0.559 8.859 8.300 -0.000 0.000 0.456 154 L N 4.087 125.217 121.223 -0.155 0.000 2.255 154 L HA 0.635 4.981 4.340 0.010 0.000 0.289 154 L C -2.586 174.196 176.870 -0.148 0.000 1.046 154 L CA -2.259 52.439 54.840 -0.235 0.000 0.816 154 L CB 0.654 42.669 42.059 -0.073 0.000 1.197 154 L HN 0.390 8.620 8.230 -0.000 0.000 0.427 155 P HA 0.097 4.517 4.420 -0.000 0.000 0.258 155 P C -0.990 176.245 177.300 -0.108 0.000 1.187 155 P CA 0.374 63.353 63.100 -0.202 0.000 0.767 155 P CB 0.587 32.028 31.700 -0.432 0.000 0.770 156 S N 1.611 117.355 115.700 0.074 0.000 2.564 156 S HA 0.414 4.891 4.470 0.010 0.000 0.274 156 S C 1.171 175.919 174.600 0.246 0.000 1.124 156 S CA -0.166 58.104 58.200 0.117 0.000 0.869 156 S CB 0.869 64.158 63.200 0.148 0.000 1.105 156 S HN 0.429 8.739 8.310 -0.000 0.000 0.472 157 T N -0.144 114.558 114.554 0.245 0.000 3.023 157 T HA -0.017 4.339 4.350 0.010 0.000 0.266 157 T C 1.210 176.046 174.700 0.225 0.000 1.093 157 T CA 1.229 63.500 62.100 0.286 0.000 1.129 157 T CB -0.354 68.643 68.868 0.214 0.000 0.899 157 T HN 0.616 8.856 8.240 -0.000 0.000 0.491 158 D N 2.587 123.105 120.400 0.197 0.000 2.087 158 D HA -0.092 4.554 4.640 0.010 0.000 0.210 158 D C 0.227 176.675 176.300 0.246 0.000 0.973 158 D CA 1.056 55.164 54.000 0.181 0.000 0.882 158 D CB -0.484 40.399 40.800 0.138 0.000 1.019 158 D HN 0.519 8.889 8.370 -0.000 0.000 0.450 159 D N 0.109 120.646 120.400 0.229 0.000 2.406 159 D HA 0.033 4.679 4.640 0.010 0.000 0.234 159 D C 0.129 176.626 176.300 0.328 0.000 1.196 159 D CA 0.348 54.456 54.000 0.181 0.000 0.881 159 D CB 0.220 40.999 40.800 -0.035 0.000 1.205 159 D HN 0.204 8.574 8.370 -0.000 0.000 0.453 160 F N -1.661 118.271 119.950 -0.029 0.000 2.588 160 F HA 0.633 5.167 4.527 0.012 0.000 0.310 160 F C -1.629 174.149 175.800 -0.037 0.000 1.082 160 F CA -1.492 56.601 58.000 0.155 0.000 0.929 160 F CB 0.927 40.123 39.000 0.327 0.000 1.254 160 F HN 0.127 8.427 8.300 -0.000 0.000 0.455 161 Y N 0.052 120.453 120.300 0.167 0.000 2.562 161 Y HA 0.648 5.204 4.550 0.010 0.000 0.343 161 Y C -0.787 175.253 175.900 0.235 0.000 1.025 161 Y CA -1.189 56.974 58.100 0.106 0.000 1.082 161 Y CB 1.818 40.331 38.460 0.090 0.000 1.264 161 Y HN 0.561 8.841 8.280 -0.000 0.000 0.478 162 D N 0.488 121.123 120.400 0.392 0.000 2.964 162 D HA 0.207 4.853 4.640 0.010 0.000 0.234 162 D C -1.545 174.856 176.300 0.167 0.000 1.223 162 D CA -0.291 53.889 54.000 0.299 0.000 0.889 162 D CB 2.601 43.553 40.800 0.254 0.000 1.609 162 D HN 0.574 8.944 8.370 -0.000 0.000 0.523 163 c N 2.704 121.273 118.600 -0.052 0.000 2.239 163 c HA 0.351 4.928 4.570 0.010 0.000 0.325 163 c C 0.252 174.154 174.090 -0.314 0.000 1.231 163 c CA -0.411 55.645 56.329 -0.455 0.000 1.652 163 c CB -0.486 41.550 42.510 -0.791 0.000 2.284 163 c HN 0.555 8.785 8.230 -0.000 0.000 0.499 164 E N 4.506 124.532 120.200 -0.289 0.000 2.115 164 E HA 0.528 4.884 4.350 0.010 0.000 0.282 164 E C -1.176 175.244 176.600 -0.300 0.000 0.987 164 E CA -0.291 55.976 56.400 -0.223 0.000 0.797 164 E CB 1.103 30.722 29.700 -0.135 0.000 1.086 164 E HN 0.645 9.005 8.360 -0.000 0.000 0.397 165 V N 4.649 124.387 119.914 -0.294 0.000 2.409 165 V HA 0.220 4.346 4.120 0.010 0.000 0.291 165 V C -0.470 175.466 176.094 -0.262 0.000 1.020 165 V CA -0.788 61.312 62.300 -0.334 0.000 0.848 165 V CB 1.646 33.233 31.823 -0.394 0.000 0.990 165 V HN 0.685 8.875 8.190 -0.000 0.000 0.430 166 D N 2.752 122.998 120.400 -0.257 0.000 2.278 166 D HA 0.545 5.191 4.640 0.010 0.000 0.245 166 D C -0.959 175.196 176.300 -0.241 0.000 1.052 166 D CA -0.117 53.738 54.000 -0.241 0.000 0.834 166 D CB 1.295 41.938 40.800 -0.261 0.000 1.194 166 D HN 0.716 9.086 8.370 -0.000 0.000 0.481 167 H N 1.822 120.682 119.070 -0.351 0.000 2.930 167 H HA 0.250 4.812 4.556 0.010 0.000 0.371 167 H C -0.054 175.112 175.328 -0.271 0.000 1.169 167 H CA -0.848 54.999 56.048 -0.335 0.000 1.157 167 H CB 0.754 30.367 29.762 -0.248 0.000 1.789 167 H HN 0.489 8.769 8.280 -0.000 0.000 0.547 168 W N 2.199 123.168 121.300 -0.551 0.000 2.389 168 W HA -0.060 4.606 4.660 0.010 0.000 0.267 168 W C 2.012 178.426 176.519 -0.174 0.000 1.219 168 W CA 1.065 58.207 57.345 -0.338 0.000 1.189 168 W CB 0.166 29.406 29.460 -0.366 0.000 1.129 168 W HN 0.781 8.961 8.180 -0.000 0.000 0.581 169 G N -0.438 108.437 108.800 0.126 0.000 2.880 169 G HA2 0.135 4.101 3.960 0.010 0.000 0.209 169 G HA3 0.135 4.101 3.960 0.010 0.000 0.209 169 G C 0.235 175.215 174.900 0.133 0.000 1.157 169 G CA -0.275 44.956 45.100 0.217 0.000 0.779 169 G HN 0.002 8.292 8.290 -0.000 0.000 0.539 170 L N 0.583 121.856 121.223 0.082 0.000 2.289 170 L HA 0.331 4.677 4.340 0.010 0.000 0.285 170 L C 1.237 178.104 176.870 -0.004 0.000 1.049 170 L CA -0.570 54.280 54.840 0.017 0.000 0.804 170 L CB 1.915 43.957 42.059 -0.028 0.000 1.195 170 L HN 0.115 8.345 8.230 -0.000 0.000 0.428 171 E N 2.049 122.249 120.200 -0.001 0.000 2.023 171 E HA -0.164 4.192 4.350 0.010 0.000 0.196 171 E C -0.101 176.486 176.600 -0.023 0.000 1.003 171 E CA 1.391 57.789 56.400 -0.002 0.000 0.809 171 E CB 0.255 29.954 29.700 -0.002 0.000 0.755 171 E HN 0.664 9.024 8.360 -0.000 0.000 0.449 172 E N 0.597 120.776 120.200 -0.034 0.000 2.266 172 E HA 0.413 4.769 4.350 0.010 0.000 0.268 172 E C -2.728 173.831 176.600 -0.068 0.000 0.879 172 E CA -2.605 53.766 56.400 -0.048 0.000 0.762 172 E CB 1.464 31.143 29.700 -0.036 0.000 1.199 172 E HN -0.217 8.143 8.360 -0.000 0.000 0.422 173 P HA -0.108 4.312 4.420 -0.000 0.000 0.264 173 P C -0.960 176.283 177.300 -0.095 0.000 1.173 173 P CA -0.095 62.939 63.100 -0.110 0.000 0.761 173 P CB 0.259 31.893 31.700 -0.110 0.000 0.794 174 L N 3.663 124.816 121.223 -0.118 0.000 2.309 174 L HA 0.503 4.850 4.340 0.010 0.000 0.282 174 L C 0.008 176.813 176.870 -0.110 0.000 1.036 174 L CA -0.251 54.526 54.840 -0.105 0.000 0.806 174 L CB 0.780 42.763 42.059 -0.126 0.000 1.220 174 L HN 0.265 8.495 8.230 -0.000 0.000 0.429 175 R N 4.013 124.474 120.500 -0.066 0.000 2.483 175 R HA 0.448 4.794 4.340 0.010 0.000 0.303 175 R C -1.232 175.074 176.300 0.009 0.000 0.987 175 R CA -0.773 55.303 56.100 -0.040 0.000 0.881 175 R CB 1.006 31.304 30.300 -0.003 0.000 1.177 175 R HN 0.445 8.715 8.270 -0.000 0.000 0.451 176 K N 2.642 123.046 120.400 0.005 0.000 2.159 176 K HA 0.207 4.533 4.320 0.010 0.000 0.266 176 K C -0.641 176.073 176.600 0.190 0.000 0.975 176 K CA -0.725 55.607 56.287 0.074 0.000 0.865 176 K CB 1.389 33.904 32.500 0.024 0.000 1.087 176 K HN 0.569 8.819 8.250 -0.000 0.000 0.446 177 H N 0.532 119.692 119.070 0.150 0.000 2.483 177 H HA 0.523 5.085 4.556 0.010 0.000 0.338 177 H C -1.436 174.101 175.328 0.348 0.000 1.152 177 H CA -0.362 55.830 56.048 0.240 0.000 1.264 177 H CB 1.000 30.874 29.762 0.186 0.000 1.510 177 H HN 0.646 8.926 8.280 -0.000 0.000 0.530 178 W N 4.330 125.268 121.300 -0.603 0.000 3.624 178 W HA 0.316 4.983 4.660 0.011 0.000 0.312 178 W C -1.742 174.603 176.519 -0.290 0.000 1.203 178 W CA -0.426 56.730 57.345 -0.315 0.000 1.225 178 W CB 1.154 30.561 29.460 -0.088 0.000 1.321 178 W HN 0.811 8.991 8.180 -0.000 0.000 0.506 179 E N 3.905 123.718 120.200 -0.644 0.000 2.446 179 E HA 0.525 4.881 4.350 0.010 0.000 0.276 179 E C -1.739 174.372 176.600 -0.816 0.000 0.969 179 E CA -1.128 55.069 56.400 -0.338 0.000 0.800 179 E CB 2.298 31.993 29.700 -0.008 0.000 1.341 179 E HN 0.198 8.558 8.360 -0.000 0.000 0.460 180 F N 0.871 120.574 119.950 -0.412 0.000 2.399 180 F HA 0.490 5.023 4.527 0.011 0.000 0.342 180 F C -0.191 175.493 175.800 -0.194 0.000 1.106 180 F CA 0.232 58.054 58.000 -0.297 0.000 1.196 180 F CB 1.085 40.114 39.000 0.049 0.000 1.163 180 F HN 0.712 9.012 8.300 -0.000 0.000 0.547 181 E N 3.349 122.974 120.200 -0.959 0.000 2.642 181 E HA 0.528 4.884 4.350 0.010 0.000 0.284 181 E C -0.113 175.951 176.600 -0.892 0.000 1.039 181 E CA -0.155 55.802 56.400 -0.738 0.000 0.777 181 E CB -0.266 29.195 29.700 -0.399 0.000 1.473 181 E HN 1.021 9.381 8.360 -0.000 0.000 0.388 182 E N 0.000 119.592 120.200 -1.013 0.000 2.725 182 E HA 0.000 4.356 4.350 0.010 0.000 0.291 182 E CA 0.000 56.067 56.400 -0.556 0.000 0.976 182 E CB 0.000 29.560 29.700 -0.233 0.000 0.812 182 E HN 0.000 8.360 8.360 -0.000 0.000 0.440