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 1viy_1_A DATA FIRST_RESID 0 DATA SEQUENCE SLRYIVALTG GIGSGKSTVA NAFADLGINV IDADIIARQV VEPGAPALHA DATA SEQUENCE IADHFGANMI AADGTLQRRA LRERIFANPE EKNWLNALLH PLIQQETQHQ DATA SEQUENCE IQQATSPYVL WVVPLLVENS LYKKANRVLV VDVSPETQLK RTMQRDDVTR DATA SEQUENCE EHVEQILAAQ ATREARLAVA DDVIDNNGAP DAIASDVARL HAHYLQLASQ DATA SEQUENCE FVSQEKPE 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 0 S HA 0.000 4.470 4.470 0.000 0.000 0.327 0 S C 0.000 174.620 174.600 0.034 0.000 1.055 0 S CA 0.000 58.209 58.200 0.015 0.000 1.107 0 S CB 0.000 63.208 63.200 0.014 0.000 0.593 1 L N 2.550 123.801 121.223 0.046 0.000 2.290 1 L HA 0.646 5.059 4.340 0.121 0.000 0.284 1 L C 0.231 177.263 176.870 0.271 0.000 1.078 1 L CA 0.249 55.159 54.840 0.115 0.000 0.815 1 L CB 0.748 42.849 42.059 0.071 0.000 1.162 1 L HN 0.616 8.846 8.230 0.000 0.000 0.435 2 R N 2.794 123.445 120.500 0.252 0.000 2.532 2 R HA 0.295 4.708 4.340 0.121 0.000 0.295 2 R C -1.350 175.059 176.300 0.183 0.000 0.968 2 R CA -0.728 55.517 56.100 0.242 0.000 0.916 2 R CB 1.020 31.371 30.300 0.085 0.000 1.124 2 R HN 0.556 8.826 8.270 0.000 0.000 0.463 3 Y N 3.837 124.073 120.300 -0.107 0.000 2.359 3 Y HA 0.255 4.911 4.550 0.177 0.000 0.330 3 Y C -0.392 175.359 175.900 -0.248 0.000 1.143 3 Y CA 0.142 57.914 58.100 -0.547 0.000 1.318 3 Y CB 0.568 38.663 38.460 -0.608 0.000 1.234 3 Y HN 0.435 8.715 8.280 0.000 0.000 0.522 4 I N 6.758 126.910 120.570 -0.698 0.000 2.382 4 I HA 0.243 4.485 4.170 0.121 0.000 0.285 4 I C -1.104 174.727 176.117 -0.476 0.000 1.007 4 I CA -0.806 60.256 61.300 -0.396 0.000 1.142 4 I CB 1.239 39.064 38.000 -0.292 0.000 1.289 4 I HN 0.234 8.444 8.210 0.000 0.000 0.453 5 V N 6.154 125.903 119.914 -0.276 0.000 2.348 5 V HA 0.473 4.666 4.120 0.121 0.000 0.270 5 V C 0.699 176.730 176.094 -0.105 0.000 1.037 5 V CA -0.577 61.527 62.300 -0.326 0.000 0.872 5 V CB 1.184 32.659 31.823 -0.579 0.000 1.002 5 V HN 0.808 8.998 8.190 0.000 0.000 0.464 6 A N 5.705 128.491 122.820 -0.057 0.000 2.401 6 A HA 0.681 5.074 4.320 0.121 0.000 0.259 6 A C -0.638 176.873 177.584 -0.122 0.000 1.103 6 A CA -0.210 51.794 52.037 -0.056 0.000 0.789 6 A CB 0.498 19.442 19.000 -0.093 0.000 1.035 6 A HN 0.827 8.977 8.150 0.000 0.000 0.491 7 L N 2.469 123.605 121.223 -0.146 0.000 2.329 7 L HA 0.814 5.227 4.340 0.121 0.000 0.279 7 L C 0.055 176.848 176.870 -0.129 0.000 1.014 7 L CA 0.378 55.155 54.840 -0.104 0.000 0.814 7 L CB 2.109 44.127 42.059 -0.069 0.000 1.257 7 L HN 0.773 9.003 8.230 0.000 0.000 0.424 8 T N 2.590 117.095 114.554 -0.082 0.000 2.816 8 T HA 0.925 5.348 4.350 0.121 0.000 0.299 8 T C -0.911 173.769 174.700 -0.033 0.000 1.230 8 T CA -0.132 61.921 62.100 -0.079 0.000 1.007 8 T CB 1.558 70.370 68.868 -0.094 0.000 1.289 8 T HN 1.091 9.331 8.240 0.000 0.000 0.508 9 G N -0.201 108.582 108.800 -0.028 0.000 2.411 9 G HA2 0.539 4.571 3.960 0.121 0.000 0.295 9 G HA3 0.539 4.571 3.960 0.121 0.000 0.295 9 G C -0.231 174.662 174.900 -0.011 0.000 1.542 9 G CA -0.014 45.081 45.100 -0.009 0.000 0.814 9 G HN 0.928 9.218 8.290 0.000 0.000 0.557 10 G N -0.854 107.943 108.800 -0.004 0.000 2.588 10 G HA2 0.503 4.536 3.960 0.121 0.000 0.278 10 G HA3 0.503 4.536 3.960 0.121 0.000 0.278 10 G C 0.469 175.369 174.900 0.000 0.000 1.307 10 G CA -0.480 44.617 45.100 -0.004 0.000 1.016 10 G HN 1.111 9.401 8.290 0.000 0.000 0.503 11 I N -0.226 120.345 120.570 0.002 0.000 2.815 11 I HA 0.293 4.536 4.170 0.121 0.000 0.291 11 I C 1.479 177.604 176.117 0.013 0.000 1.209 11 I CA 1.697 63.002 61.300 0.009 0.000 1.431 11 I CB 0.504 38.511 38.000 0.012 0.000 1.351 11 I HN 1.076 9.286 8.210 0.000 0.000 0.585 12 G N 3.865 112.675 108.800 0.015 0.000 2.148 12 G HA2 -0.338 3.695 3.960 0.121 0.000 0.254 12 G HA3 -0.338 3.695 3.960 0.121 0.000 0.254 12 G C 0.788 175.698 174.900 0.016 0.000 0.981 12 G CA 0.693 45.803 45.100 0.017 0.000 0.670 12 G HN 0.982 9.272 8.290 0.000 0.000 0.528 13 S N -0.547 115.163 115.700 0.015 0.000 2.528 13 S HA 0.424 4.966 4.470 0.121 0.000 0.219 13 S C 1.951 176.565 174.600 0.024 0.000 0.985 13 S CA 1.118 59.329 58.200 0.018 0.000 0.914 13 S CB 0.291 63.501 63.200 0.016 0.000 0.776 13 S HN 2.314 10.624 8.310 0.000 0.000 0.526 14 G N 1.985 110.799 108.800 0.023 0.000 2.248 14 G HA2 -0.256 3.776 3.960 0.121 0.000 0.263 14 G HA3 -0.256 3.776 3.960 0.121 0.000 0.263 14 G C 0.513 175.435 174.900 0.037 0.000 1.082 14 G CA 0.338 45.455 45.100 0.028 0.000 0.863 14 G HN 0.498 8.788 8.290 0.000 0.000 0.495 15 K N 0.337 120.756 120.400 0.031 0.000 2.074 15 K HA -0.160 4.233 4.320 0.121 0.000 0.209 15 K C 2.910 179.540 176.600 0.050 0.000 1.048 15 K CA 1.959 58.268 56.287 0.036 0.000 0.926 15 K CB -0.225 32.283 32.500 0.013 0.000 0.713 15 K HN 0.737 8.987 8.250 0.000 0.000 0.444 16 S N 0.200 115.925 115.700 0.041 0.000 2.423 16 S HA -0.098 4.445 4.470 0.121 0.000 0.231 16 S C 1.969 176.602 174.600 0.055 0.000 1.014 16 S CA 1.464 59.691 58.200 0.046 0.000 0.965 16 S CB -0.411 62.809 63.200 0.033 0.000 0.785 16 S HN 0.150 8.460 8.310 0.000 0.000 0.495 17 T N 2.269 116.854 114.554 0.051 0.000 2.777 17 T HA 0.008 4.431 4.350 0.121 0.000 0.266 17 T C 1.883 176.627 174.700 0.074 0.000 1.040 17 T CA 1.369 63.499 62.100 0.049 0.000 1.141 17 T CB -0.517 68.373 68.868 0.037 0.000 0.868 17 T HN 0.303 8.543 8.240 0.000 0.000 0.444 18 V N 1.788 121.765 119.914 0.105 0.000 2.307 18 V HA -0.150 4.043 4.120 0.121 0.000 0.245 18 V C 2.928 179.190 176.094 0.279 0.000 1.045 18 V CA 1.692 64.103 62.300 0.185 0.000 1.024 18 V CB -1.271 30.678 31.823 0.211 0.000 0.651 18 V HN 0.517 8.707 8.190 0.000 0.000 0.449 19 A N 0.571 123.516 122.820 0.208 0.000 1.883 19 A HA -0.268 4.125 4.320 0.121 0.000 0.217 19 A C 2.058 179.755 177.584 0.187 0.000 1.186 19 A CA 2.220 54.378 52.037 0.203 0.000 0.624 19 A CB -0.780 18.284 19.000 0.106 0.000 0.822 19 A HN 0.597 8.747 8.150 0.000 0.000 0.444 20 N N 0.499 119.269 118.700 0.117 0.000 2.104 20 N HA -0.143 4.670 4.740 0.121 0.000 0.190 20 N C 1.853 177.398 175.510 0.057 0.000 1.024 20 N CA 1.642 54.737 53.050 0.075 0.000 0.853 20 N CB -0.658 37.855 38.487 0.044 0.000 1.008 20 N HN 0.495 8.875 8.380 0.000 0.000 0.424 21 A N 0.187 123.035 122.820 0.047 0.000 1.940 21 A HA -0.092 4.301 4.320 0.121 0.000 0.219 21 A C 2.024 179.538 177.584 -0.116 0.000 1.176 21 A CA 1.063 53.063 52.037 -0.062 0.000 0.631 21 A CB -0.846 18.078 19.000 -0.128 0.000 0.814 21 A HN 0.216 8.366 8.150 0.000 0.000 0.446 22 F N -0.080 119.878 119.950 0.013 0.000 2.206 22 F HA 0.018 4.615 4.527 0.117 0.000 0.298 22 F C 2.767 178.536 175.800 -0.051 0.000 1.090 22 F CA 0.863 58.866 58.000 0.005 0.000 1.323 22 F CB -0.385 38.685 39.000 0.117 0.000 1.028 22 F HN 0.252 8.552 8.300 0.000 0.000 0.492 23 A N 0.062 122.971 122.820 0.148 0.000 1.908 23 A HA -0.224 4.169 4.320 0.121 0.000 0.218 23 A C 1.908 179.494 177.584 0.002 0.000 1.181 23 A CA 2.157 54.228 52.037 0.057 0.000 0.627 23 A CB -0.844 18.187 19.000 0.052 0.000 0.818 23 A HN 0.272 8.422 8.150 0.000 0.000 0.445 24 D N -0.161 120.228 120.400 -0.019 0.000 2.218 24 D HA -0.082 4.631 4.640 0.121 0.000 0.204 24 D C 1.378 177.626 176.300 -0.086 0.000 0.976 24 D CA 0.867 54.838 54.000 -0.048 0.000 0.853 24 D CB -0.230 40.536 40.800 -0.057 0.000 0.939 24 D HN 0.479 8.849 8.370 0.000 0.000 0.481 25 L N -0.677 120.455 121.223 -0.152 0.000 2.629 25 L HA 0.236 4.649 4.340 0.121 0.000 0.230 25 L C 1.294 178.074 176.870 -0.151 0.000 1.151 25 L CA 0.142 54.827 54.840 -0.259 0.000 0.924 25 L CB 0.042 41.698 42.059 -0.672 0.000 1.137 25 L HN 0.073 8.303 8.230 0.000 0.000 0.457 26 G N 0.143 108.906 108.800 -0.060 0.000 2.141 26 G HA2 -0.203 3.830 3.960 0.121 0.000 0.231 26 G HA3 -0.203 3.830 3.960 0.121 0.000 0.231 26 G C 0.059 174.946 174.900 -0.022 0.000 0.984 26 G CA -0.549 44.543 45.100 -0.014 0.000 0.660 26 G HN 0.125 8.415 8.290 0.000 0.000 0.525 27 I N 1.173 121.720 120.570 -0.038 0.000 2.353 27 I HA 0.264 4.507 4.170 0.121 0.000 0.293 27 I C 0.538 176.620 176.117 -0.059 0.000 0.992 27 I CA -1.311 59.925 61.300 -0.106 0.000 1.268 27 I CB 0.861 38.776 38.000 -0.141 0.000 1.387 27 I HN 0.119 8.329 8.210 0.000 0.000 0.478 28 N N 4.162 122.814 118.700 -0.080 0.000 2.475 28 N HA 0.225 5.037 4.740 0.121 0.000 0.267 28 N C -0.599 174.897 175.510 -0.024 0.000 1.169 28 N CA -0.179 52.845 53.050 -0.043 0.000 0.947 28 N CB 1.112 39.569 38.487 -0.049 0.000 1.061 28 N HN 0.285 8.665 8.380 0.000 0.000 0.466 29 V N 4.170 124.090 119.914 0.009 0.000 2.394 29 V HA 0.304 4.497 4.120 0.121 0.000 0.282 29 V C -0.078 176.044 176.094 0.047 0.000 1.031 29 V CA -0.572 61.750 62.300 0.037 0.000 0.881 29 V CB 1.024 32.879 31.823 0.052 0.000 0.982 29 V HN 0.555 8.745 8.190 0.000 0.000 0.451 30 I N 4.137 124.759 120.570 0.086 0.000 2.359 30 I HA 0.372 4.615 4.170 0.121 0.000 0.284 30 I C -0.254 175.989 176.117 0.209 0.000 1.018 30 I CA -0.447 60.923 61.300 0.117 0.000 1.173 30 I CB 1.378 39.425 38.000 0.079 0.000 1.326 30 I HN 0.556 8.766 8.210 0.000 0.000 0.462 31 D N 5.246 125.729 120.400 0.138 0.000 2.329 31 D HA 0.409 5.121 4.640 0.121 0.000 0.232 31 D C 0.992 177.365 176.300 0.122 0.000 1.088 31 D CA -0.262 53.803 54.000 0.109 0.000 0.835 31 D CB 2.105 42.942 40.800 0.061 0.000 1.078 31 D HN 0.609 8.979 8.370 0.000 0.000 0.495 32 A N 4.235 127.124 122.820 0.115 0.000 1.986 32 A HA -0.206 4.186 4.320 0.121 0.000 0.220 32 A C 1.599 179.222 177.584 0.065 0.000 1.171 32 A CA 1.377 53.485 52.037 0.117 0.000 0.640 32 A CB -0.106 18.910 19.000 0.027 0.000 0.811 32 A HN 0.589 8.739 8.150 0.000 0.000 0.451 33 D N -0.223 120.198 120.400 0.036 0.000 2.224 33 D HA -0.077 4.636 4.640 0.121 0.000 0.205 33 D C 1.783 178.105 176.300 0.037 0.000 0.965 33 D CA 0.728 54.746 54.000 0.030 0.000 0.852 33 D CB -0.150 40.661 40.800 0.019 0.000 0.947 33 D HN 0.367 8.737 8.370 0.000 0.000 0.494 34 I N 1.127 121.724 120.570 0.044 0.000 2.333 34 I HA -0.146 4.097 4.170 0.121 0.000 0.246 34 I C 2.376 178.521 176.117 0.047 0.000 1.106 34 I CA 0.444 61.770 61.300 0.042 0.000 1.411 34 I CB -0.772 37.254 38.000 0.042 0.000 1.082 34 I HN -0.016 8.194 8.210 0.000 0.000 0.420 35 I N 1.535 122.141 120.570 0.062 0.000 2.194 35 I HA -0.278 3.965 4.170 0.121 0.000 0.246 35 I C 2.785 178.931 176.117 0.048 0.000 1.093 35 I CA 1.652 62.988 61.300 0.060 0.000 1.355 35 I CB -1.478 36.572 38.000 0.084 0.000 1.046 35 I HN 0.127 8.337 8.210 0.000 0.000 0.413 36 A N 0.832 123.681 122.820 0.048 0.000 1.940 36 A HA -0.208 4.185 4.320 0.121 0.000 0.219 36 A C 2.457 180.062 177.584 0.036 0.000 1.176 36 A CA 1.417 53.477 52.037 0.039 0.000 0.631 36 A CB -0.542 18.480 19.000 0.037 0.000 0.814 36 A HN 0.381 8.531 8.150 0.000 0.000 0.446 37 R N -0.830 119.691 120.500 0.035 0.000 2.090 37 R HA -0.079 4.333 4.340 0.121 0.000 0.228 37 R C 2.345 178.664 176.300 0.033 0.000 1.110 37 R CA 1.381 57.500 56.100 0.032 0.000 0.973 37 R CB -0.273 30.045 30.300 0.029 0.000 0.869 37 R HN 0.671 8.941 8.270 0.000 0.000 0.440 38 Q N 0.404 120.225 119.800 0.034 0.000 2.167 38 Q HA -0.081 4.332 4.340 0.121 0.000 0.202 38 Q C 2.093 178.112 176.000 0.031 0.000 0.970 38 Q CA 1.491 57.314 55.803 0.034 0.000 0.855 38 Q CB 0.103 28.863 28.738 0.038 0.000 0.911 38 Q HN 0.311 8.581 8.270 0.000 0.000 0.438 39 V N -1.704 118.228 119.914 0.030 0.000 3.305 39 V HA -0.013 4.180 4.120 0.121 0.000 0.269 39 V C 1.487 177.601 176.094 0.034 0.000 1.157 39 V CA 0.850 63.164 62.300 0.025 0.000 1.157 39 V CB -0.315 31.517 31.823 0.015 0.000 0.772 39 V HN 0.246 8.436 8.190 0.000 0.000 0.498 40 V N -2.898 117.040 119.914 0.040 0.000 3.085 40 V HA 0.469 4.662 4.120 0.121 0.000 0.345 40 V C 0.535 176.657 176.094 0.048 0.000 1.397 40 V CA -0.604 61.727 62.300 0.051 0.000 1.165 40 V CB -0.778 31.079 31.823 0.056 0.000 1.153 40 V HN 0.502 8.692 8.190 0.000 0.000 0.495 41 E N 1.981 122.205 120.200 0.040 0.000 2.392 41 E HA 0.299 4.721 4.350 0.121 0.000 0.259 41 E C -2.420 174.203 176.600 0.039 0.000 1.108 41 E CA -1.913 54.508 56.400 0.035 0.000 0.916 41 E CB 0.393 30.110 29.700 0.029 0.000 0.989 41 E HN 0.265 8.625 8.360 0.000 0.000 0.432 42 P HA -0.097 4.323 4.420 0.000 0.000 0.261 42 P C 0.438 177.756 177.300 0.030 0.000 1.173 42 P CA 1.273 64.395 63.100 0.037 0.000 0.760 42 P CB 0.296 32.014 31.700 0.029 0.000 0.783 43 G N 1.834 110.654 108.800 0.033 0.000 2.213 43 G HA2 -0.166 3.867 3.960 0.121 0.000 0.236 43 G HA3 -0.166 3.867 3.960 0.121 0.000 0.236 43 G C 0.384 175.294 174.900 0.017 0.000 0.991 43 G CA -0.026 45.084 45.100 0.015 0.000 0.629 43 G HN 0.853 9.143 8.290 0.000 0.000 0.517 44 A N 1.116 123.956 122.820 0.034 0.000 2.354 44 A HA 0.731 5.124 4.320 0.121 0.000 0.269 44 A C -0.043 177.577 177.584 0.060 0.000 1.109 44 A CA -0.430 51.626 52.037 0.032 0.000 0.800 44 A CB 0.807 19.826 19.000 0.030 0.000 1.045 44 A HN 0.086 8.236 8.150 0.000 0.000 0.489 45 P HA -0.226 4.194 4.420 0.000 0.000 0.216 45 P C 1.498 178.861 177.300 0.106 0.000 1.150 45 P CA 2.226 65.372 63.100 0.077 0.000 0.843 45 P CB 0.049 31.770 31.700 0.035 0.000 0.787 46 A N -0.402 122.461 122.820 0.071 0.000 1.933 46 A HA -0.167 4.225 4.320 0.121 0.000 0.218 46 A C 2.232 179.896 177.584 0.133 0.000 1.175 46 A CA 1.435 53.518 52.037 0.077 0.000 0.628 46 A CB -1.577 17.450 19.000 0.045 0.000 0.814 46 A HN 0.152 8.302 8.150 0.000 0.000 0.444 47 L N -0.814 120.485 121.223 0.127 0.000 2.017 47 L HA -0.176 4.237 4.340 0.121 0.000 0.208 47 L C 2.350 179.326 176.870 0.176 0.000 1.073 47 L CA 2.824 57.748 54.840 0.140 0.000 0.745 47 L CB -0.923 41.204 42.059 0.113 0.000 0.894 47 L HN 0.619 8.849 8.230 0.000 0.000 0.432 48 H N -0.667 118.460 119.070 0.095 0.000 2.353 48 H HA -0.068 4.560 4.556 0.121 0.000 0.300 48 H C 2.035 177.450 175.328 0.146 0.000 1.090 48 H CA 1.707 57.815 56.048 0.100 0.000 1.327 48 H CB -0.076 29.728 29.762 0.071 0.000 1.383 48 H HN 0.438 8.718 8.280 0.000 0.000 0.508 49 A N 0.246 123.163 122.820 0.160 0.000 1.930 49 A HA -0.070 4.323 4.320 0.121 0.000 0.217 49 A C 2.515 180.309 177.584 0.349 0.000 1.175 49 A CA 1.414 53.576 52.037 0.209 0.000 0.627 49 A CB -0.686 18.456 19.000 0.236 0.000 0.815 49 A HN 0.500 8.650 8.150 0.000 0.000 0.443 50 I N -0.276 120.515 120.570 0.369 0.000 2.226 50 I HA -0.273 3.970 4.170 0.121 0.000 0.245 50 I C 2.943 179.263 176.117 0.339 0.000 1.100 50 I CA 1.073 62.670 61.300 0.495 0.000 1.374 50 I CB -0.253 37.984 38.000 0.395 0.000 1.057 50 I HN 0.351 8.561 8.210 0.000 0.000 0.413 51 A N 0.208 123.118 122.820 0.150 0.000 1.933 51 A HA -0.225 4.168 4.320 0.121 0.000 0.218 51 A C 1.952 179.520 177.584 -0.026 0.000 1.175 51 A CA 1.923 53.993 52.037 0.056 0.000 0.628 51 A CB -0.523 18.478 19.000 0.002 0.000 0.814 51 A HN 0.325 8.475 8.150 0.000 0.000 0.444 52 D N -1.546 118.786 120.400 -0.113 0.000 2.117 52 D HA -0.128 4.585 4.640 0.121 0.000 0.197 52 D C 1.753 177.997 176.300 -0.094 0.000 0.987 52 D CA 1.692 55.618 54.000 -0.122 0.000 0.829 52 D CB -0.338 40.390 40.800 -0.121 0.000 0.961 52 D HN 0.712 9.082 8.370 0.000 0.000 0.460 53 H N -1.295 117.637 119.070 -0.230 0.000 2.372 53 H HA 0.036 4.665 4.556 0.122 0.000 0.301 53 H C 1.396 176.346 175.328 -0.629 0.000 1.065 53 H CA 1.371 57.056 56.048 -0.605 0.000 1.364 53 H CB -0.050 28.944 29.762 -1.280 0.000 1.406 53 H HN 0.039 8.319 8.280 0.000 0.000 0.521 54 F N -0.648 119.187 119.950 -0.192 0.000 2.678 54 F HA 0.373 4.972 4.527 0.121 0.000 0.291 54 F C 1.186 176.910 175.800 -0.127 0.000 1.123 54 F CA 0.728 58.619 58.000 -0.181 0.000 1.395 54 F CB 0.957 39.915 39.000 -0.069 0.000 1.121 54 F HN 0.393 8.693 8.300 0.000 0.000 0.592 55 G N -0.188 108.649 108.800 0.062 0.000 2.459 55 G HA2 0.198 4.231 3.960 0.121 0.000 0.685 55 G HA3 0.198 4.231 3.960 0.121 0.000 0.685 55 G C 0.417 175.340 174.900 0.038 0.000 1.303 55 G CA -0.611 44.501 45.100 0.020 0.000 0.907 55 G HN 0.270 8.560 8.290 0.000 0.000 0.632 56 A N -0.039 122.792 122.820 0.018 0.000 2.125 56 A HA -0.014 4.379 4.320 0.121 0.000 0.219 56 A C 2.041 179.641 177.584 0.027 0.000 1.156 56 A CA 2.212 54.263 52.037 0.024 0.000 0.671 56 A CB -0.562 18.450 19.000 0.020 0.000 0.794 56 A HN 0.941 9.091 8.150 0.000 0.000 0.459 57 N N 0.065 118.779 118.700 0.023 0.000 2.430 57 N HA -0.120 4.693 4.740 0.121 0.000 0.186 57 N C 1.257 176.775 175.510 0.013 0.000 1.032 57 N CA 1.275 54.334 53.050 0.015 0.000 0.893 57 N CB -0.338 38.155 38.487 0.010 0.000 0.957 57 N HN 0.363 8.743 8.380 0.000 0.000 0.442 58 M N 0.010 119.627 119.600 0.028 0.000 2.557 58 M HA 0.043 4.596 4.480 0.121 0.000 0.259 58 M C -0.088 176.226 176.300 0.024 0.000 1.086 58 M CA 0.503 55.814 55.300 0.018 0.000 1.096 58 M CB -0.392 32.239 32.600 0.053 0.000 1.424 58 M HN 0.029 8.319 8.290 0.000 0.000 0.488 59 I N 0.422 121.010 120.570 0.031 0.000 2.336 59 I HA 0.356 4.599 4.170 0.121 0.000 0.292 59 I C 0.691 176.820 176.117 0.021 0.000 0.991 59 I CA -1.194 60.126 61.300 0.033 0.000 1.227 59 I CB 0.467 38.493 38.000 0.043 0.000 1.366 59 I HN -0.037 8.173 8.210 0.000 0.000 0.466 60 A N 4.986 127.817 122.820 0.018 0.000 2.310 60 A HA 0.526 4.918 4.320 0.121 0.000 0.260 60 A C 1.479 179.071 177.584 0.014 0.000 1.112 60 A CA 0.452 52.496 52.037 0.012 0.000 0.804 60 A CB 0.144 19.149 19.000 0.009 0.000 1.081 60 A HN 0.895 9.045 8.150 0.000 0.000 0.499 61 A N 0.143 122.969 122.820 0.010 0.000 1.940 61 A HA -0.177 4.216 4.320 0.121 0.000 0.219 61 A C 1.388 178.980 177.584 0.013 0.000 1.176 61 A CA 2.216 54.259 52.037 0.010 0.000 0.631 61 A CB -0.756 18.248 19.000 0.007 0.000 0.814 61 A HN 0.909 9.059 8.150 0.000 0.000 0.446 62 D N -2.400 118.008 120.400 0.013 0.000 2.336 62 D HA 0.291 5.003 4.640 0.121 0.000 0.229 62 D C 1.149 177.460 176.300 0.019 0.000 1.061 62 D CA 0.967 54.975 54.000 0.014 0.000 0.875 62 D CB -0.535 40.272 40.800 0.012 0.000 0.904 62 D HN 0.823 9.193 8.370 0.000 0.000 0.525 63 G N -0.135 108.678 108.800 0.022 0.000 2.195 63 G HA2 -0.278 3.755 3.960 0.121 0.000 0.246 63 G HA3 -0.278 3.755 3.960 0.121 0.000 0.246 63 G C 0.576 175.496 174.900 0.034 0.000 0.984 63 G CA 0.536 45.654 45.100 0.030 0.000 0.633 63 G HN 0.788 9.078 8.290 0.000 0.000 0.525 64 T N -1.272 113.298 114.554 0.027 0.000 2.810 64 T HA 0.692 5.114 4.350 0.121 0.000 0.277 64 T C 0.552 175.269 174.700 0.030 0.000 0.973 64 T CA -0.212 61.906 62.100 0.029 0.000 0.949 64 T CB 1.903 70.784 68.868 0.022 0.000 1.075 64 T HN 1.101 9.341 8.240 0.000 0.000 0.537 65 L N 1.261 122.502 121.223 0.031 0.000 2.455 65 L HA 0.301 4.714 4.340 0.121 0.000 0.272 65 L C 0.425 177.302 176.870 0.012 0.000 1.174 65 L CA 0.029 54.886 54.840 0.027 0.000 0.869 65 L CB 0.380 42.458 42.059 0.032 0.000 1.130 65 L HN 0.797 9.027 8.230 0.000 0.000 0.474 66 Q N 3.762 123.564 119.800 0.004 0.000 2.534 66 Q HA 0.179 4.591 4.340 0.121 0.000 0.223 66 Q C 0.924 176.909 176.000 -0.025 0.000 1.239 66 Q CA 0.538 56.335 55.803 -0.010 0.000 0.936 66 Q CB 0.229 28.959 28.738 -0.013 0.000 1.457 66 Q HN 0.668 8.938 8.270 0.000 0.000 0.547 67 R N 1.639 122.127 120.500 -0.020 0.000 2.105 67 R HA -0.145 4.267 4.340 0.121 0.000 0.239 67 R C 1.546 177.819 176.300 -0.045 0.000 1.135 67 R CA 1.642 57.727 56.100 -0.026 0.000 0.967 67 R CB 0.063 30.355 30.300 -0.012 0.000 0.861 67 R HN 0.490 8.760 8.270 0.000 0.000 0.442 68 R N 0.167 120.640 120.500 -0.046 0.000 2.096 68 R HA -0.097 4.316 4.340 0.121 0.000 0.235 68 R C 2.317 178.571 176.300 -0.077 0.000 1.127 68 R CA 1.457 57.518 56.100 -0.065 0.000 0.968 68 R CB -0.310 29.956 30.300 -0.057 0.000 0.861 68 R HN 0.223 8.493 8.270 0.000 0.000 0.440 69 A N 1.000 123.779 122.820 -0.068 0.000 1.897 69 A HA -0.117 4.276 4.320 0.121 0.000 0.215 69 A C 2.041 179.554 177.584 -0.118 0.000 1.181 69 A CA 0.825 52.817 52.037 -0.075 0.000 0.620 69 A CB -0.392 18.576 19.000 -0.054 0.000 0.821 69 A HN 0.221 8.371 8.150 0.000 0.000 0.443 70 L N 0.183 121.318 121.223 -0.147 0.000 1.994 70 L HA -0.135 4.278 4.340 0.121 0.000 0.208 70 L C 2.410 179.176 176.870 -0.172 0.000 1.071 70 L CA 2.526 57.211 54.840 -0.259 0.000 0.745 70 L CB -0.811 41.116 42.059 -0.221 0.000 0.892 70 L HN 0.493 8.723 8.230 0.000 0.000 0.431 71 R N -0.612 119.841 120.500 -0.079 0.000 2.134 71 R HA -0.233 4.180 4.340 0.121 0.000 0.248 71 R C 2.110 178.426 176.300 0.027 0.000 1.143 71 R CA 2.085 58.181 56.100 -0.006 0.000 0.957 71 R CB -0.252 30.003 30.300 -0.074 0.000 0.867 71 R HN 0.444 8.714 8.270 0.000 0.000 0.441 72 E N -0.048 120.114 120.200 -0.063 0.000 2.106 72 E HA -0.134 4.288 4.350 0.121 0.000 0.192 72 E C 2.090 178.733 176.600 0.071 0.000 0.984 72 E CA 0.740 57.122 56.400 -0.030 0.000 0.806 72 E CB -0.128 29.533 29.700 -0.066 0.000 0.750 72 E HN 0.293 8.653 8.360 0.000 0.000 0.458 73 R N 0.442 120.944 120.500 0.004 0.000 2.096 73 R HA -0.025 4.387 4.340 0.121 0.000 0.235 73 R C 2.464 178.839 176.300 0.124 0.000 1.127 73 R CA 0.564 56.687 56.100 0.039 0.000 0.968 73 R CB -0.728 29.508 30.300 -0.105 0.000 0.861 73 R HN 0.258 8.528 8.270 0.000 0.000 0.440 74 I N -0.164 120.473 120.570 0.112 0.000 2.202 74 I HA -0.244 3.999 4.170 0.121 0.000 0.242 74 I C 1.931 178.150 176.117 0.169 0.000 1.091 74 I CA 1.120 62.520 61.300 0.167 0.000 1.368 74 I CB -0.288 37.804 38.000 0.154 0.000 1.058 74 I HN -0.060 8.150 8.210 0.000 0.000 0.410 75 F N 0.864 120.825 119.950 0.019 0.000 2.126 75 F HA -0.293 4.307 4.527 0.121 0.000 0.299 75 F C 2.551 178.366 175.800 0.025 0.000 1.096 75 F CA 1.555 59.567 58.000 0.020 0.000 1.255 75 F CB -0.982 38.023 39.000 0.008 0.000 0.997 75 F HN 0.033 8.333 8.300 0.000 0.000 0.479 76 A N -0.423 122.523 122.820 0.209 0.000 1.902 76 A HA -0.167 4.225 4.320 0.121 0.000 0.217 76 A C 0.560 178.196 177.584 0.087 0.000 1.181 76 A CA 1.711 53.822 52.037 0.122 0.000 0.623 76 A CB -0.785 18.274 19.000 0.098 0.000 0.818 76 A HN 0.457 8.607 8.150 0.000 0.000 0.443 77 N N -0.915 117.845 118.700 0.099 0.000 2.746 77 N HA 0.363 5.175 4.740 0.121 0.000 0.250 77 N C -2.604 172.953 175.510 0.078 0.000 1.146 77 N CA -1.342 51.756 53.050 0.079 0.000 0.828 77 N CB 1.688 40.226 38.487 0.084 0.000 1.158 77 N HN -0.032 8.348 8.380 0.000 0.000 0.519 78 P HA -0.259 4.161 4.420 0.000 0.000 0.217 78 P C 0.914 178.236 177.300 0.037 0.000 1.148 78 P CA 1.279 64.372 63.100 -0.011 0.000 0.834 78 P CB 0.214 31.881 31.700 -0.056 0.000 0.783 79 E N -0.345 119.889 120.200 0.058 0.000 2.472 79 E HA -0.152 4.271 4.350 0.121 0.000 0.200 79 E C 1.352 178.042 176.600 0.149 0.000 1.046 79 E CA 0.564 57.013 56.400 0.081 0.000 0.871 79 E CB -0.603 29.136 29.700 0.065 0.000 0.806 79 E HN 0.244 8.604 8.360 0.000 0.000 0.533 80 E N 1.596 121.912 120.200 0.194 0.000 2.208 80 E HA -0.084 4.339 4.350 0.121 0.000 0.193 80 E C 1.661 178.477 176.600 0.360 0.000 0.988 80 E CA 0.442 57.040 56.400 0.330 0.000 0.828 80 E CB -0.028 29.943 29.700 0.452 0.000 0.763 80 E HN 0.343 8.703 8.360 0.000 0.000 0.478 81 K N 0.833 121.365 120.400 0.220 0.000 2.074 81 K HA -0.144 4.249 4.320 0.121 0.000 0.209 81 K C 1.789 178.479 176.600 0.150 0.000 1.048 81 K CA 1.144 57.529 56.287 0.164 0.000 0.926 81 K CB 0.033 32.578 32.500 0.076 0.000 0.713 81 K HN 0.038 8.288 8.250 0.000 0.000 0.444 82 N N -0.062 118.717 118.700 0.132 0.000 2.120 82 N HA -0.199 4.614 4.740 0.121 0.000 0.188 82 N C 1.400 176.973 175.510 0.105 0.000 1.024 82 N CA 1.135 54.239 53.050 0.090 0.000 0.852 82 N CB -0.458 38.072 38.487 0.072 0.000 1.003 82 N HN 0.356 8.736 8.380 0.000 0.000 0.424 83 W N 1.654 122.956 121.300 0.003 0.000 2.355 83 W HA -0.100 4.634 4.660 0.123 0.000 0.309 83 W C 2.165 178.659 176.519 -0.042 0.000 1.206 83 W CA 0.793 58.099 57.345 -0.065 0.000 1.284 83 W CB -0.524 28.834 29.460 -0.169 0.000 1.145 83 W HN 0.025 8.205 8.180 0.000 0.000 0.502 84 L N 1.778 123.182 121.223 0.301 0.000 2.017 84 L HA -0.261 4.151 4.340 0.121 0.000 0.208 84 L C 2.087 178.933 176.870 -0.039 0.000 1.073 84 L CA 2.275 57.219 54.840 0.173 0.000 0.745 84 L CB -1.336 40.931 42.059 0.347 0.000 0.894 84 L HN -0.025 8.205 8.230 0.000 0.000 0.432 85 N N 0.112 118.814 118.700 0.002 0.000 2.104 85 N HA -0.178 4.634 4.740 0.121 0.000 0.190 85 N C 1.818 177.284 175.510 -0.072 0.000 1.024 85 N CA 1.648 54.687 53.050 -0.019 0.000 0.853 85 N CB -0.554 37.934 38.487 0.002 0.000 1.008 85 N HN 0.533 8.913 8.380 0.000 0.000 0.424 86 A N 0.900 123.628 122.820 -0.153 0.000 1.933 86 A HA -0.087 4.306 4.320 0.121 0.000 0.218 86 A C 2.255 179.682 177.584 -0.263 0.000 1.175 86 A CA 0.966 52.884 52.037 -0.198 0.000 0.628 86 A CB -0.630 18.225 19.000 -0.242 0.000 0.814 86 A HN 0.261 8.411 8.150 0.000 0.000 0.444 87 L N -0.315 120.634 121.223 -0.458 0.000 2.005 87 L HA -0.062 4.351 4.340 0.121 0.000 0.207 87 L C 2.206 178.953 176.870 -0.205 0.000 1.072 87 L CA 1.815 56.376 54.840 -0.465 0.000 0.744 87 L CB -0.447 41.150 42.059 -0.771 0.000 0.895 87 L HN 0.370 8.600 8.230 0.000 0.000 0.433 88 L N -0.832 120.309 121.223 -0.136 0.000 2.217 88 L HA -0.167 4.246 4.340 0.121 0.000 0.211 88 L C 2.653 179.508 176.870 -0.025 0.000 1.107 88 L CA 0.996 55.804 54.840 -0.055 0.000 0.783 88 L CB -1.059 40.990 42.059 -0.018 0.000 0.919 88 L HN 0.523 8.753 8.230 0.000 0.000 0.442 89 H N 1.760 120.783 119.070 -0.079 0.000 2.251 89 H HA -0.158 4.471 4.556 0.122 0.000 0.294 89 H C -0.553 174.750 175.328 -0.041 0.000 1.078 89 H CA 2.281 58.298 56.048 -0.051 0.000 1.246 89 H CB -1.112 28.614 29.762 -0.060 0.000 1.358 89 H HN 0.141 8.421 8.280 0.000 0.000 0.488 90 P HA -0.096 4.324 4.420 0.000 0.000 0.217 90 P C 2.103 179.318 177.300 -0.142 0.000 1.150 90 P CA 1.187 64.199 63.100 -0.147 0.000 0.832 90 P CB -0.195 31.493 31.700 -0.019 0.000 0.787 91 L N -1.547 119.617 121.223 -0.099 0.000 2.072 91 L HA -0.085 4.328 4.340 0.121 0.000 0.205 91 L C 2.516 179.344 176.870 -0.071 0.000 1.079 91 L CA 1.074 55.871 54.840 -0.072 0.000 0.752 91 L CB -0.765 41.265 42.059 -0.048 0.000 0.906 91 L HN -0.116 8.114 8.230 0.000 0.000 0.436 92 I N -0.360 120.164 120.570 -0.076 0.000 2.163 92 I HA -0.323 3.920 4.170 0.121 0.000 0.243 92 I C 2.721 178.793 176.117 -0.075 0.000 1.085 92 I CA 1.185 62.456 61.300 -0.049 0.000 1.347 92 I CB -0.215 37.771 38.000 -0.024 0.000 1.044 92 I HN 0.308 8.518 8.210 0.000 0.000 0.408 93 Q N 0.961 120.668 119.800 -0.156 0.000 2.096 93 Q HA -0.257 4.156 4.340 0.121 0.000 0.204 93 Q C 2.112 178.029 176.000 -0.138 0.000 0.982 93 Q CA 1.880 57.582 55.803 -0.168 0.000 0.850 93 Q CB -0.208 28.384 28.738 -0.243 0.000 0.901 93 Q HN 0.492 8.762 8.270 0.000 0.000 0.422 94 Q N -0.504 119.230 119.800 -0.109 0.000 2.050 94 Q HA -0.205 4.207 4.340 0.121 0.000 0.202 94 Q C 2.001 177.978 176.000 -0.039 0.000 0.980 94 Q CA 1.546 57.304 55.803 -0.074 0.000 0.840 94 Q CB -0.191 28.507 28.738 -0.066 0.000 0.898 94 Q HN 0.325 8.595 8.270 0.000 0.000 0.424 95 E N 0.219 120.401 120.200 -0.030 0.000 2.085 95 E HA -0.167 4.256 4.350 0.121 0.000 0.194 95 E C 1.812 178.415 176.600 0.005 0.000 0.994 95 E CA 1.893 58.306 56.400 0.021 0.000 0.801 95 E CB -0.241 29.471 29.700 0.019 0.000 0.743 95 E HN 0.259 8.619 8.360 0.000 0.000 0.453 96 T N 0.549 115.062 114.554 -0.070 0.000 2.652 96 T HA -0.215 4.208 4.350 0.121 0.000 0.267 96 T C 1.834 176.396 174.700 -0.229 0.000 1.039 96 T CA 1.694 63.686 62.100 -0.179 0.000 1.153 96 T CB -0.347 68.354 68.868 -0.278 0.000 0.863 96 T HN 0.282 8.522 8.240 0.000 0.000 0.428 97 Q N -0.236 119.446 119.800 -0.197 0.000 2.112 97 Q HA -0.196 4.217 4.340 0.121 0.000 0.206 97 Q C 2.256 178.207 176.000 -0.082 0.000 0.987 97 Q CA 1.632 57.338 55.803 -0.162 0.000 0.858 97 Q CB -0.283 28.385 28.738 -0.116 0.000 0.905 97 Q HN 0.682 8.952 8.270 0.000 0.000 0.420 98 H N 0.421 119.424 119.070 -0.113 0.000 2.353 98 H HA -0.128 4.502 4.556 0.123 0.000 0.300 98 H C 1.751 177.034 175.328 -0.074 0.000 1.090 98 H CA 1.545 57.546 56.048 -0.078 0.000 1.327 98 H CB 0.357 30.082 29.762 -0.061 0.000 1.383 98 H HN 0.350 8.630 8.280 0.000 0.000 0.508 99 Q N 0.039 119.695 119.800 -0.240 0.000 2.187 99 Q HA -0.042 4.371 4.340 0.121 0.000 0.199 99 Q C 2.636 178.507 176.000 -0.215 0.000 0.957 99 Q CA 0.956 56.594 55.803 -0.274 0.000 0.857 99 Q CB 0.328 28.981 28.738 -0.143 0.000 0.929 99 Q HN 0.528 8.798 8.270 0.000 0.000 0.453 100 I N 0.795 121.245 120.570 -0.200 0.000 2.179 100 I HA -0.279 3.964 4.170 0.121 0.000 0.242 100 I C 2.223 178.262 176.117 -0.131 0.000 1.088 100 I CA 0.864 62.059 61.300 -0.174 0.000 1.357 100 I CB -0.218 37.644 38.000 -0.231 0.000 1.051 100 I HN 0.162 8.372 8.210 0.000 0.000 0.409 101 Q N 0.481 120.204 119.800 -0.129 0.000 2.248 101 Q HA -0.230 4.182 4.340 0.121 0.000 0.208 101 Q C 2.003 177.939 176.000 -0.107 0.000 0.984 101 Q CA 1.403 57.151 55.803 -0.091 0.000 0.875 101 Q CB -0.340 28.360 28.738 -0.063 0.000 0.910 101 Q HN 0.570 8.840 8.270 0.000 0.000 0.433 102 Q N -1.003 118.691 119.800 -0.177 0.000 2.408 102 Q HA 0.230 4.642 4.340 0.121 0.000 0.205 102 Q C 0.253 176.190 176.000 -0.104 0.000 0.919 102 Q CA 0.197 55.903 55.803 -0.162 0.000 0.932 102 Q CB 0.344 28.921 28.738 -0.268 0.000 1.058 102 Q HN 0.215 8.485 8.270 0.000 0.000 0.517 103 A N 0.990 123.754 122.820 -0.093 0.000 2.406 103 A HA 0.212 4.604 4.320 0.121 0.000 0.243 103 A C 1.221 178.782 177.584 -0.039 0.000 1.082 103 A CA 0.516 52.514 52.037 -0.065 0.000 0.786 103 A CB 0.310 19.271 19.000 -0.065 0.000 1.029 103 A HN 0.298 8.448 8.150 0.000 0.000 0.495 104 T N -1.889 112.647 114.554 -0.030 0.000 2.985 104 T HA 0.195 4.618 4.350 0.121 0.000 0.254 104 T C 0.733 175.429 174.700 -0.006 0.000 1.021 104 T CA 0.514 62.606 62.100 -0.013 0.000 0.957 104 T CB -0.638 68.225 68.868 -0.010 0.000 1.047 104 T HN 0.964 9.204 8.240 0.000 0.000 0.511 105 S N 2.131 117.815 115.700 -0.025 0.000 2.592 105 S HA 0.375 4.918 4.470 0.121 0.000 0.271 105 S C -1.882 172.717 174.600 -0.002 0.000 1.326 105 S CA -1.106 57.072 58.200 -0.037 0.000 1.024 105 S CB 1.214 64.345 63.200 -0.115 0.000 0.921 105 S HN -0.031 8.279 8.310 0.000 0.000 0.527 106 P HA 0.044 4.464 4.420 0.000 0.000 0.217 106 P C -0.190 177.253 177.300 0.237 0.000 1.150 106 P CA 1.096 64.283 63.100 0.146 0.000 0.832 106 P CB -0.153 31.656 31.700 0.181 0.000 0.787 107 Y N -2.135 118.230 120.300 0.108 0.000 2.602 107 Y HA 0.619 5.230 4.550 0.102 0.000 0.342 107 Y C -0.542 175.392 175.900 0.056 0.000 1.029 107 Y CA -2.340 55.816 58.100 0.094 0.000 1.080 107 Y CB 0.662 39.206 38.460 0.141 0.000 1.284 107 Y HN -0.277 8.003 8.280 0.000 0.000 0.485 108 V N 0.929 120.889 119.914 0.077 0.000 2.881 108 V HA 0.682 4.875 4.120 0.121 0.000 0.316 108 V C -1.101 175.032 176.094 0.066 0.000 1.070 108 V CA -1.106 61.179 62.300 -0.025 0.000 0.976 108 V CB 1.669 33.469 31.823 -0.038 0.000 1.038 108 V HN 0.895 9.085 8.190 0.000 0.000 0.446 109 L N 3.967 125.200 121.223 0.017 0.000 2.276 109 L HA 0.574 4.987 4.340 0.121 0.000 0.286 109 L C -1.054 175.879 176.870 0.105 0.000 1.024 109 L CA -0.202 54.645 54.840 0.012 0.000 0.826 109 L CB 1.012 43.012 42.059 -0.099 0.000 1.211 109 L HN 0.940 9.170 8.230 0.000 0.000 0.422 110 W N 7.105 128.343 121.300 -0.103 0.000 2.283 110 W HA 0.536 5.268 4.660 0.120 0.000 0.317 110 W C -1.281 175.199 176.519 -0.065 0.000 1.042 110 W CA -1.099 56.197 57.345 -0.080 0.000 1.348 110 W CB 0.982 30.387 29.460 -0.093 0.000 1.216 110 W HN 0.230 8.410 8.180 0.000 0.000 0.404 111 V N 8.013 127.901 119.914 -0.043 0.000 2.385 111 V HA 0.302 4.495 4.120 0.121 0.000 0.269 111 V C -0.272 175.634 176.094 -0.314 0.000 1.043 111 V CA -0.752 61.454 62.300 -0.156 0.000 0.906 111 V CB 0.890 32.689 31.823 -0.040 0.000 0.995 111 V HN 0.254 8.444 8.190 0.000 0.000 0.467 112 V N 7.598 127.263 119.914 -0.416 0.000 2.380 112 V HA 0.250 4.443 4.120 0.121 0.000 0.272 112 V C -1.725 174.216 176.094 -0.256 0.000 1.011 112 V CA -1.196 60.829 62.300 -0.458 0.000 0.826 112 V CB 1.438 32.760 31.823 -0.834 0.000 1.040 112 V HN 0.610 8.800 8.190 0.000 0.000 0.441 113 P HA -0.116 4.304 4.420 0.000 0.000 0.216 113 P C 1.079 178.325 177.300 -0.090 0.000 1.154 113 P CA 1.442 64.485 63.100 -0.095 0.000 0.865 113 P CB 0.266 31.931 31.700 -0.058 0.000 0.789 114 L N -1.752 119.409 121.223 -0.104 0.000 2.848 114 L HA 0.134 4.547 4.340 0.121 0.000 0.240 114 L C 1.741 178.548 176.870 -0.105 0.000 1.232 114 L CA -0.338 54.455 54.840 -0.079 0.000 1.031 114 L CB -0.428 41.597 42.059 -0.056 0.000 1.338 114 L HN -0.042 8.188 8.230 0.000 0.000 0.509 115 L N -0.001 121.135 121.223 -0.145 0.000 1.990 115 L HA -0.216 4.197 4.340 0.121 0.000 0.213 115 L C 2.280 179.127 176.870 -0.038 0.000 1.072 115 L CA 2.020 56.763 54.840 -0.162 0.000 0.755 115 L CB -0.152 41.809 42.059 -0.164 0.000 0.889 115 L HN 0.092 8.322 8.230 0.000 0.000 0.432 116 V N -0.809 119.136 119.914 0.051 0.000 2.323 116 V HA -0.205 3.987 4.120 0.121 0.000 0.244 116 V C 2.445 178.582 176.094 0.071 0.000 1.041 116 V CA 1.645 64.042 62.300 0.162 0.000 1.025 116 V CB -0.671 31.220 31.823 0.114 0.000 0.656 116 V HN 0.411 8.601 8.190 0.000 0.000 0.451 117 E N 0.897 121.103 120.200 0.010 0.000 2.085 117 E HA -0.196 4.226 4.350 0.121 0.000 0.194 117 E C 1.677 178.256 176.600 -0.034 0.000 0.994 117 E CA 1.739 58.134 56.400 -0.009 0.000 0.801 117 E CB -0.363 29.327 29.700 -0.017 0.000 0.743 117 E HN 0.699 9.059 8.360 0.000 0.000 0.453 118 N N -0.452 118.210 118.700 -0.064 0.000 2.270 118 N HA 0.090 4.903 4.740 0.121 0.000 0.198 118 N C -0.664 174.749 175.510 -0.162 0.000 1.117 118 N CA 0.180 53.181 53.050 -0.081 0.000 0.845 118 N CB 0.544 39.005 38.487 -0.043 0.000 0.980 118 N HN -0.124 8.256 8.380 0.000 0.000 0.486 119 S N 0.382 115.916 115.700 -0.276 0.000 3.581 119 S HA -0.161 4.381 4.470 0.121 0.000 0.354 119 S C 0.903 175.053 174.600 -0.750 0.000 1.059 119 S CA 0.217 57.991 58.200 -0.712 0.000 1.060 119 S CB -1.680 61.265 63.200 -0.426 0.000 0.908 119 S HN 0.421 8.731 8.310 0.000 0.000 0.475 120 L N -0.115 120.826 121.223 -0.469 0.000 2.599 120 L HA -0.013 4.399 4.340 0.121 0.000 0.230 120 L C 2.096 178.881 176.870 -0.143 0.000 1.141 120 L CA 0.763 55.478 54.840 -0.209 0.000 0.877 120 L CB -0.435 41.546 42.059 -0.131 0.000 1.009 120 L HN 0.742 8.972 8.230 0.000 0.000 0.447 121 Y N -0.889 119.406 120.300 -0.008 0.000 2.483 121 Y HA -0.161 4.460 4.550 0.119 0.000 0.291 121 Y C 2.012 177.941 175.900 0.048 0.000 1.143 121 Y CA 0.294 58.397 58.100 0.005 0.000 1.289 121 Y CB -1.129 37.311 38.460 -0.033 0.000 0.983 121 Y HN 0.011 8.291 8.280 0.000 0.000 0.556 122 K N 0.519 120.938 120.400 0.032 0.000 2.360 122 K HA -0.061 4.332 4.320 0.121 0.000 0.201 122 K C 1.142 177.793 176.600 0.085 0.000 1.046 122 K CA 0.986 57.326 56.287 0.088 0.000 0.945 122 K CB 0.007 32.505 32.500 -0.004 0.000 0.750 122 K HN 0.204 8.454 8.250 0.000 0.000 0.464 123 K N -0.153 120.325 120.400 0.130 0.000 2.399 123 K HA 0.227 4.620 4.320 0.121 0.000 0.204 123 K C -0.090 176.578 176.600 0.114 0.000 1.023 123 K CA 0.002 56.351 56.287 0.103 0.000 1.127 123 K CB 1.235 33.791 32.500 0.093 0.000 0.856 123 K HN 0.016 8.266 8.250 0.000 0.000 0.514 124 A N 0.656 123.574 122.820 0.164 0.000 2.337 124 A HA 0.429 4.822 4.320 0.121 0.000 0.331 124 A C 0.360 177.883 177.584 -0.100 0.000 1.137 124 A CA -0.625 51.452 52.037 0.066 0.000 0.807 124 A CB 0.663 19.752 19.000 0.148 0.000 1.250 124 A HN 0.151 8.301 8.150 0.000 0.000 0.468 125 N N -0.410 118.093 118.700 -0.328 0.000 2.354 125 N HA 0.094 4.907 4.740 0.121 0.000 0.179 125 N C 0.487 175.784 175.510 -0.356 0.000 1.021 125 N CA 0.867 53.638 53.050 -0.465 0.000 0.887 125 N CB 0.144 37.951 38.487 -1.133 0.000 0.974 125 N HN 0.654 9.034 8.380 0.000 0.000 0.437 126 R N -0.202 120.093 120.500 -0.341 0.000 2.643 126 R HA 0.458 4.871 4.340 0.121 0.000 0.269 126 R C -2.226 173.979 176.300 -0.158 0.000 1.037 126 R CA -0.522 55.452 56.100 -0.210 0.000 0.894 126 R CB 1.454 31.604 30.300 -0.250 0.000 1.238 126 R HN -0.233 8.037 8.270 0.000 0.000 0.459 127 V N 4.529 124.396 119.914 -0.078 0.000 2.487 127 V HA 0.500 4.693 4.120 0.121 0.000 0.298 127 V C -1.102 174.985 176.094 -0.011 0.000 1.028 127 V CA -0.802 61.468 62.300 -0.051 0.000 0.860 127 V CB 1.478 33.278 31.823 -0.039 0.000 0.991 127 V HN 0.628 8.818 8.190 0.000 0.000 0.427 128 L N 6.780 127.999 121.223 -0.007 0.000 2.313 128 L HA 0.747 5.160 4.340 0.121 0.000 0.283 128 L C -0.611 176.279 176.870 0.033 0.000 1.013 128 L CA -0.026 54.851 54.840 0.062 0.000 0.816 128 L CB 1.815 43.945 42.059 0.118 0.000 1.236 128 L HN 0.419 8.649 8.230 0.000 0.000 0.419 129 V N 5.814 125.753 119.914 0.042 0.000 2.398 129 V HA 0.379 4.571 4.120 0.121 0.000 0.286 129 V C -0.228 175.894 176.094 0.046 0.000 1.026 129 V CA -0.760 61.555 62.300 0.025 0.000 0.868 129 V CB 1.801 33.629 31.823 0.009 0.000 0.982 129 V HN 0.598 8.788 8.190 0.000 0.000 0.443 130 V N 4.955 124.895 119.914 0.043 0.000 2.408 130 V HA 0.378 4.571 4.120 0.121 0.000 0.267 130 V C -0.355 175.757 176.094 0.031 0.000 1.047 130 V CA 0.139 62.469 62.300 0.050 0.000 0.937 130 V CB 1.331 33.189 31.823 0.058 0.000 0.999 130 V HN 1.036 9.226 8.190 0.000 0.000 0.472 131 D N 4.810 125.228 120.400 0.031 0.000 2.256 131 D HA 0.676 5.389 4.640 0.121 0.000 0.246 131 D C -0.577 175.735 176.300 0.019 0.000 1.042 131 D CA -0.168 53.844 54.000 0.021 0.000 0.841 131 D CB 2.065 42.876 40.800 0.019 0.000 1.223 131 D HN 0.624 8.994 8.370 0.000 0.000 0.470 132 V N 0.438 120.361 119.914 0.014 0.000 3.181 132 V HA 0.748 4.941 4.120 0.121 0.000 0.308 132 V C -0.167 175.932 176.094 0.010 0.000 1.214 132 V CA -0.906 61.402 62.300 0.013 0.000 1.053 132 V CB 1.132 32.964 31.823 0.014 0.000 1.069 132 V HN 0.656 8.846 8.190 0.000 0.000 0.441 133 S N 0.319 116.024 115.700 0.009 0.000 2.592 133 S HA 0.474 5.017 4.470 0.121 0.000 0.271 133 S C -1.766 172.838 174.600 0.007 0.000 1.326 133 S CA -0.635 57.569 58.200 0.007 0.000 1.024 133 S CB 0.878 64.082 63.200 0.007 0.000 0.921 133 S HN 0.719 9.029 8.310 0.000 0.000 0.527 134 P HA -0.152 4.268 4.420 0.000 0.000 0.217 134 P C 1.421 178.726 177.300 0.008 0.000 1.148 134 P CA 1.293 64.397 63.100 0.006 0.000 0.828 134 P CB 0.024 31.727 31.700 0.005 0.000 0.783 135 E N -0.795 119.410 120.200 0.008 0.000 2.085 135 E HA -0.181 4.242 4.350 0.121 0.000 0.194 135 E C 1.544 178.151 176.600 0.010 0.000 0.994 135 E CA 1.681 58.087 56.400 0.009 0.000 0.801 135 E CB -0.408 29.297 29.700 0.008 0.000 0.743 135 E HN 0.130 8.490 8.360 0.000 0.000 0.453 136 T N 0.838 115.398 114.554 0.010 0.000 2.746 136 T HA -0.168 4.255 4.350 0.121 0.000 0.267 136 T C 1.819 176.527 174.700 0.013 0.000 1.039 136 T CA 1.419 63.526 62.100 0.011 0.000 1.142 136 T CB -0.151 68.724 68.868 0.011 0.000 0.866 136 T HN 0.283 8.523 8.240 0.000 0.000 0.444 137 Q N 0.250 120.058 119.800 0.013 0.000 2.096 137 Q HA -0.042 4.370 4.340 0.121 0.000 0.204 137 Q C 2.396 178.407 176.000 0.018 0.000 0.982 137 Q CA 1.208 57.020 55.803 0.015 0.000 0.850 137 Q CB -0.362 28.383 28.738 0.012 0.000 0.901 137 Q HN 0.479 8.749 8.270 0.000 0.000 0.422 138 L N 0.382 121.615 121.223 0.018 0.000 2.005 138 L HA -0.197 4.215 4.340 0.121 0.000 0.207 138 L C 2.330 179.214 176.870 0.023 0.000 1.072 138 L CA 1.324 56.177 54.840 0.022 0.000 0.744 138 L CB -0.315 41.755 42.059 0.019 0.000 0.895 138 L HN 0.096 8.326 8.230 0.000 0.000 0.433 139 K N -0.190 120.221 120.400 0.018 0.000 2.057 139 K HA -0.121 4.272 4.320 0.121 0.000 0.206 139 K C 2.272 178.882 176.600 0.016 0.000 1.050 139 K CA 1.167 57.463 56.287 0.016 0.000 0.935 139 K CB -0.123 32.384 32.500 0.012 0.000 0.715 139 K HN 0.199 8.449 8.250 0.000 0.000 0.439 140 R N 0.176 120.686 120.500 0.017 0.000 2.096 140 R HA -0.077 4.336 4.340 0.121 0.000 0.235 140 R C 2.265 178.577 176.300 0.020 0.000 1.127 140 R CA 1.675 57.785 56.100 0.017 0.000 0.968 140 R CB -0.369 29.941 30.300 0.016 0.000 0.861 140 R HN 0.184 8.454 8.270 0.000 0.000 0.440 141 T N 0.985 115.555 114.554 0.026 0.000 2.857 141 T HA -0.062 4.361 4.350 0.121 0.000 0.266 141 T C 1.833 176.553 174.700 0.035 0.000 1.048 141 T CA 1.059 63.181 62.100 0.036 0.000 1.139 141 T CB -0.031 68.866 68.868 0.048 0.000 0.874 141 T HN 0.155 8.395 8.240 0.000 0.000 0.455 142 M N 0.768 120.386 119.600 0.031 0.000 2.117 142 M HA -0.114 4.438 4.480 0.121 0.000 0.262 142 M C 2.637 178.942 176.300 0.009 0.000 1.065 142 M CA 1.394 56.707 55.300 0.021 0.000 1.114 142 M CB -0.280 32.332 32.600 0.020 0.000 1.361 142 M HN 0.084 8.374 8.290 0.000 0.000 0.408 143 Q N -0.347 119.459 119.800 0.010 0.000 2.123 143 Q HA -0.123 4.289 4.340 0.121 0.000 0.199 143 Q C 2.048 178.050 176.000 0.005 0.000 0.966 143 Q CA 1.341 57.148 55.803 0.006 0.000 0.845 143 Q CB -0.450 28.292 28.738 0.007 0.000 0.907 143 Q HN 0.519 8.789 8.270 0.000 0.000 0.439 144 R N 0.389 120.895 120.500 0.009 0.000 2.090 144 R HA -0.108 4.305 4.340 0.121 0.000 0.228 144 R C 0.429 176.732 176.300 0.004 0.000 1.110 144 R CA 1.373 57.479 56.100 0.009 0.000 0.973 144 R CB 0.338 30.647 30.300 0.015 0.000 0.869 144 R HN 0.098 8.368 8.270 0.000 0.000 0.440 145 D N -0.704 119.697 120.400 0.002 0.000 2.474 145 D HA 0.007 4.719 4.640 0.121 0.000 0.213 145 D C -0.466 175.815 176.300 -0.032 0.000 1.120 145 D CA 0.100 54.094 54.000 -0.010 0.000 0.836 145 D CB 0.375 41.174 40.800 -0.001 0.000 1.019 145 D HN 0.089 8.459 8.370 0.000 0.000 0.507 146 D N 1.016 121.402 120.400 -0.025 0.000 2.705 146 D HA -0.155 4.558 4.640 0.121 0.000 0.240 146 D C -0.224 176.039 176.300 -0.062 0.000 1.137 146 D CA 0.372 54.352 54.000 -0.033 0.000 0.677 146 D CB -1.074 39.709 40.800 -0.029 0.000 1.049 146 D HN 0.155 8.525 8.370 0.000 0.000 0.427 147 V N -2.279 117.596 119.914 -0.065 0.000 3.177 147 V HA 0.868 5.061 4.120 0.121 0.000 0.319 147 V C 1.087 177.160 176.094 -0.036 0.000 1.125 147 V CA -0.154 62.071 62.300 -0.125 0.000 1.029 147 V CB 1.677 33.382 31.823 -0.198 0.000 1.119 147 V HN 0.290 8.480 8.190 0.000 0.000 0.452 148 T N -1.389 113.159 114.554 -0.010 0.000 2.882 148 T HA 0.348 4.771 4.350 0.121 0.000 0.287 148 T C 0.981 175.727 174.700 0.077 0.000 1.014 148 T CA -0.052 62.071 62.100 0.039 0.000 1.049 148 T CB 1.237 70.134 68.868 0.048 0.000 1.001 148 T HN 0.854 9.094 8.240 0.000 0.000 0.525 149 R N 0.552 121.084 120.500 0.052 0.000 2.096 149 R HA -0.180 4.232 4.340 0.121 0.000 0.240 149 R C 2.036 178.372 176.300 0.060 0.000 1.139 149 R CA 2.232 58.362 56.100 0.049 0.000 0.952 149 R CB -0.426 29.892 30.300 0.031 0.000 0.854 149 R HN 0.839 9.109 8.270 0.000 0.000 0.436 150 E N -1.346 118.891 120.200 0.062 0.000 2.153 150 E HA -0.217 4.206 4.350 0.121 0.000 0.194 150 E C 1.760 178.403 176.600 0.072 0.000 0.988 150 E CA 1.591 58.024 56.400 0.054 0.000 0.811 150 E CB -0.325 29.404 29.700 0.049 0.000 0.746 150 E HN 0.560 8.920 8.360 0.000 0.000 0.466 151 H N -0.171 118.904 119.070 0.009 0.000 2.395 151 H HA -0.022 4.607 4.556 0.121 0.000 0.299 151 H C 1.682 177.016 175.328 0.010 0.000 1.070 151 H CA 1.415 57.469 56.048 0.011 0.000 1.356 151 H CB 0.169 29.938 29.762 0.011 0.000 1.401 151 H HN 0.025 8.305 8.280 0.000 0.000 0.524 152 V N 0.660 120.639 119.914 0.110 0.000 2.453 152 V HA -0.163 4.029 4.120 0.121 0.000 0.247 152 V C 2.039 178.130 176.094 -0.005 0.000 1.048 152 V CA 1.938 64.269 62.300 0.052 0.000 1.049 152 V CB -0.415 31.451 31.823 0.071 0.000 0.672 152 V HN 0.488 8.678 8.190 0.000 0.000 0.457 153 E N 0.069 120.270 120.200 0.001 0.000 2.160 153 E HA -0.290 4.133 4.350 0.121 0.000 0.195 153 E C 2.317 178.899 176.600 -0.031 0.000 0.991 153 E CA 1.417 57.812 56.400 -0.009 0.000 0.810 153 E CB -0.157 29.543 29.700 0.001 0.000 0.742 153 E HN 0.682 9.042 8.360 0.000 0.000 0.466 154 Q N 0.186 119.950 119.800 -0.059 0.000 2.119 154 Q HA -0.113 4.300 4.340 0.121 0.000 0.201 154 Q C 2.226 178.172 176.000 -0.089 0.000 0.972 154 Q CA 0.935 56.689 55.803 -0.082 0.000 0.847 154 Q CB -0.013 28.652 28.738 -0.122 0.000 0.903 154 Q HN 0.352 8.622 8.270 0.000 0.000 0.433 155 I N 0.509 121.015 120.570 -0.107 0.000 2.179 155 I HA -0.289 3.954 4.170 0.121 0.000 0.242 155 I C 2.122 178.215 176.117 -0.040 0.000 1.088 155 I CA 1.089 62.344 61.300 -0.075 0.000 1.357 155 I CB -0.306 37.657 38.000 -0.062 0.000 1.051 155 I HN 0.211 8.421 8.210 0.000 0.000 0.409 156 L N 0.699 121.905 121.223 -0.029 0.000 2.046 156 L HA -0.205 4.208 4.340 0.121 0.000 0.208 156 L C 2.850 179.709 176.870 -0.018 0.000 1.077 156 L CA 1.371 56.202 54.840 -0.017 0.000 0.747 156 L CB -0.811 41.242 42.059 -0.009 0.000 0.896 156 L HN 0.259 8.489 8.230 0.000 0.000 0.432 157 A N -0.090 122.716 122.820 -0.023 0.000 2.019 157 A HA -0.089 4.304 4.320 0.121 0.000 0.219 157 A C 2.397 179.967 177.584 -0.022 0.000 1.164 157 A CA 1.629 53.654 52.037 -0.020 0.000 0.644 157 A CB -0.449 18.538 19.000 -0.022 0.000 0.805 157 A HN 0.426 8.576 8.150 0.000 0.000 0.449 158 A N -1.345 121.459 122.820 -0.028 0.000 2.081 158 A HA 0.181 4.574 4.320 0.121 0.000 0.214 158 A C 1.267 178.839 177.584 -0.020 0.000 1.158 158 A CA 0.159 52.181 52.037 -0.026 0.000 0.724 158 A CB -0.028 18.952 19.000 -0.034 0.000 0.826 158 A HN 0.634 8.784 8.150 0.000 0.000 0.463 159 Q N -0.805 118.985 119.800 -0.017 0.000 2.199 159 Q HA 0.599 5.012 4.340 0.121 0.000 0.232 159 Q C 0.123 176.118 176.000 -0.008 0.000 0.969 159 Q CA -0.498 55.298 55.803 -0.012 0.000 0.925 159 Q CB 1.175 29.906 28.738 -0.011 0.000 1.198 159 Q HN 0.395 8.665 8.270 0.000 0.000 0.494 160 A N 0.908 123.725 122.820 -0.004 0.000 2.507 160 A HA 0.159 4.552 4.320 0.121 0.000 0.235 160 A C 0.392 177.975 177.584 -0.001 0.000 1.070 160 A CA 0.052 52.090 52.037 0.001 0.000 0.768 160 A CB -0.181 18.824 19.000 0.010 0.000 1.011 160 A HN 0.717 8.867 8.150 0.000 0.000 0.502 161 T N -0.679 113.875 114.554 -0.001 0.000 2.788 161 T HA 0.265 4.687 4.350 0.121 0.000 0.287 161 T C 1.286 175.985 174.700 -0.003 0.000 1.007 161 T CA 0.156 62.255 62.100 -0.002 0.000 1.005 161 T CB 0.615 69.482 68.868 -0.003 0.000 1.012 161 T HN 0.728 8.968 8.240 0.000 0.000 0.530 162 R N 0.443 120.942 120.500 -0.002 0.000 2.094 162 R HA -0.175 4.238 4.340 0.121 0.000 0.239 162 R C 2.149 178.446 176.300 -0.005 0.000 1.137 162 R CA 2.185 58.284 56.100 -0.003 0.000 0.943 162 R CB -0.459 29.841 30.300 -0.001 0.000 0.850 162 R HN 0.820 9.090 8.270 0.000 0.000 0.433 163 E N 0.139 120.336 120.200 -0.006 0.000 2.153 163 E HA -0.133 4.289 4.350 0.121 0.000 0.194 163 E C 1.807 178.399 176.600 -0.014 0.000 0.988 163 E CA 1.314 57.709 56.400 -0.009 0.000 0.811 163 E CB -0.211 29.484 29.700 -0.007 0.000 0.746 163 E HN 0.481 8.841 8.360 0.000 0.000 0.466 164 A N 1.141 123.955 122.820 -0.010 0.000 1.902 164 A HA -0.215 4.177 4.320 0.121 0.000 0.217 164 A C 2.056 179.626 177.584 -0.023 0.000 1.181 164 A CA 1.613 53.643 52.037 -0.012 0.000 0.623 164 A CB -0.354 18.648 19.000 0.002 0.000 0.818 164 A HN 0.096 8.246 8.150 0.000 0.000 0.443 165 R N -0.572 119.918 120.500 -0.016 0.000 2.075 165 R HA 0.002 4.415 4.340 0.121 0.000 0.232 165 R C 2.059 178.336 176.300 -0.038 0.000 1.126 165 R CA 1.367 57.453 56.100 -0.023 0.000 0.963 165 R CB -0.549 29.744 30.300 -0.011 0.000 0.858 165 R HN 0.501 8.771 8.270 0.000 0.000 0.435 166 L N 0.387 121.594 121.223 -0.027 0.000 2.127 166 L HA -0.165 4.248 4.340 0.121 0.000 0.211 166 L C 2.657 179.500 176.870 -0.044 0.000 1.089 166 L CA 1.157 55.981 54.840 -0.027 0.000 0.757 166 L CB -0.612 41.438 42.059 -0.015 0.000 0.899 166 L HN 0.255 8.485 8.230 0.000 0.000 0.434 167 A N 0.008 122.795 122.820 -0.055 0.000 1.972 167 A HA -0.128 4.264 4.320 0.121 0.000 0.219 167 A C 2.071 179.581 177.584 -0.123 0.000 1.169 167 A CA 1.837 53.831 52.037 -0.072 0.000 0.635 167 A CB -0.616 18.345 19.000 -0.065 0.000 0.810 167 A HN 0.364 8.514 8.150 0.000 0.000 0.446 168 V N -4.075 115.735 119.914 -0.173 0.000 3.621 168 V HA 0.632 4.825 4.120 0.121 0.000 0.285 168 V C 0.903 176.887 176.094 -0.184 0.000 1.346 168 V CA -0.095 62.031 62.300 -0.290 0.000 1.104 168 V CB -1.061 30.389 31.823 -0.623 0.000 0.913 168 V HN 0.546 8.736 8.190 0.000 0.000 0.432 169 A N 0.848 123.609 122.820 -0.098 0.000 2.409 169 A HA 0.366 4.758 4.320 0.121 0.000 0.262 169 A C 0.951 178.521 177.584 -0.024 0.000 1.113 169 A CA 0.153 52.162 52.037 -0.047 0.000 0.790 169 A CB 0.156 19.146 19.000 -0.016 0.000 1.046 169 A HN 0.431 8.581 8.150 0.000 0.000 0.496 170 D N 0.702 121.103 120.400 0.002 0.000 2.162 170 D HA 0.002 4.715 4.640 0.121 0.000 0.205 170 D C -0.319 176.029 176.300 0.080 0.000 0.964 170 D CA 1.164 55.187 54.000 0.039 0.000 0.847 170 D CB 0.274 41.106 40.800 0.053 0.000 0.988 170 D HN 0.626 8.996 8.370 0.000 0.000 0.480 171 D N 0.274 120.736 120.400 0.103 0.000 2.457 171 D HA 0.394 5.107 4.640 0.121 0.000 0.240 171 D C -0.520 175.836 176.300 0.094 0.000 1.041 171 D CA -0.499 53.575 54.000 0.124 0.000 0.861 171 D CB 3.354 44.282 40.800 0.214 0.000 1.394 171 D HN -0.262 8.108 8.370 0.000 0.000 0.473 172 V N 1.836 121.797 119.914 0.078 0.000 2.709 172 V HA 0.463 4.656 4.120 0.121 0.000 0.308 172 V C -0.314 175.821 176.094 0.068 0.000 1.062 172 V CA -0.818 61.519 62.300 0.062 0.000 0.901 172 V CB 2.459 34.304 31.823 0.037 0.000 1.003 172 V HN 0.472 8.662 8.190 0.000 0.000 0.425 173 I N 3.241 123.856 120.570 0.074 0.000 2.418 173 I HA 0.422 4.664 4.170 0.121 0.000 0.287 173 I C -0.484 175.664 176.117 0.052 0.000 1.008 173 I CA -0.376 60.967 61.300 0.071 0.000 1.104 173 I CB 1.453 39.518 38.000 0.109 0.000 1.264 173 I HN 0.707 8.917 8.210 0.000 0.000 0.438 174 D N 5.771 126.193 120.400 0.036 0.000 2.383 174 D HA 0.015 4.728 4.640 0.121 0.000 0.252 174 D C -0.425 175.892 176.300 0.027 0.000 1.166 174 D CA 0.344 54.361 54.000 0.027 0.000 0.879 174 D CB 0.889 41.700 40.800 0.018 0.000 1.164 174 D HN 0.543 8.913 8.370 0.000 0.000 0.462 175 N N 3.417 122.133 118.700 0.027 0.000 2.517 175 N HA 0.083 4.896 4.740 0.121 0.000 0.285 175 N C 0.159 175.681 175.510 0.019 0.000 1.528 175 N CA -0.405 52.660 53.050 0.025 0.000 0.892 175 N CB 0.018 38.525 38.487 0.034 0.000 1.356 175 N HN 0.310 8.690 8.380 0.000 0.000 0.495 176 N N -0.997 117.712 118.700 0.015 0.000 2.459 176 N HA 0.012 4.825 4.740 0.121 0.000 0.181 176 N C 0.881 176.397 175.510 0.010 0.000 1.046 176 N CA 0.710 53.768 53.050 0.012 0.000 0.904 176 N CB 0.586 39.079 38.487 0.010 0.000 0.964 176 N HN 0.385 8.765 8.380 0.000 0.000 0.444 177 G N -0.156 108.650 108.800 0.009 0.000 3.134 177 G HA2 0.611 4.643 3.960 0.121 0.000 0.158 177 G HA3 0.611 4.643 3.960 0.121 0.000 0.158 177 G C -0.671 174.233 174.900 0.007 0.000 1.334 177 G CA -0.015 45.090 45.100 0.007 0.000 1.001 177 G HN 0.202 8.492 8.290 0.000 0.000 0.600 178 A N 0.462 123.285 122.820 0.004 0.000 2.351 178 A HA 0.578 4.970 4.320 0.121 0.000 0.257 178 A C -0.617 176.969 177.584 0.003 0.000 1.087 178 A CA -0.684 51.355 52.037 0.003 0.000 0.798 178 A CB 0.583 19.583 19.000 0.001 0.000 1.033 178 A HN 0.379 8.529 8.150 0.000 0.000 0.488 179 P HA -0.155 4.265 4.420 0.000 0.000 0.217 179 P C 0.364 177.662 177.300 -0.003 0.000 1.150 179 P CA 1.295 64.397 63.100 0.004 0.000 0.832 179 P CB 0.105 31.808 31.700 0.005 0.000 0.787 180 D N -0.051 120.345 120.400 -0.007 0.000 2.347 180 D HA 0.035 4.748 4.640 0.121 0.000 0.215 180 D C 1.876 178.167 176.300 -0.016 0.000 0.976 180 D CA 0.592 54.584 54.000 -0.014 0.000 0.884 180 D CB -0.060 40.731 40.800 -0.014 0.000 0.915 180 D HN 0.150 8.520 8.370 0.000 0.000 0.526 181 A N 1.386 124.200 122.820 -0.010 0.000 2.121 181 A HA -0.099 4.294 4.320 0.121 0.000 0.218 181 A C 2.157 179.734 177.584 -0.012 0.000 1.154 181 A CA 0.450 52.481 52.037 -0.009 0.000 0.679 181 A CB -0.742 18.256 19.000 -0.003 0.000 0.795 181 A HN 0.423 8.573 8.150 0.000 0.000 0.458 182 I N -4.315 116.246 120.570 -0.015 0.000 3.684 182 I HA 0.287 4.530 4.170 0.121 0.000 0.304 182 I C 1.982 178.070 176.117 -0.048 0.000 1.278 182 I CA 0.668 61.957 61.300 -0.019 0.000 1.272 182 I CB -0.224 37.774 38.000 -0.004 0.000 1.029 182 I HN 0.097 8.307 8.210 0.000 0.000 0.458 183 A N 1.538 124.327 122.820 -0.052 0.000 1.883 183 A HA -0.162 4.231 4.320 0.121 0.000 0.217 183 A C 2.490 180.025 177.584 -0.081 0.000 1.186 183 A CA 2.349 54.341 52.037 -0.075 0.000 0.624 183 A CB -0.899 18.066 19.000 -0.058 0.000 0.822 183 A HN 0.508 8.658 8.150 0.000 0.000 0.444 184 S N -0.094 115.573 115.700 -0.055 0.000 2.368 184 S HA -0.125 4.418 4.470 0.121 0.000 0.224 184 S C 1.649 176.217 174.600 -0.053 0.000 1.029 184 S CA 1.288 59.460 58.200 -0.047 0.000 0.988 184 S CB -0.393 62.787 63.200 -0.032 0.000 0.838 184 S HN 0.601 8.911 8.310 0.000 0.000 0.462 185 D N 1.154 121.526 120.400 -0.047 0.000 2.097 185 D HA -0.048 4.664 4.640 0.121 0.000 0.197 185 D C 2.091 178.351 176.300 -0.068 0.000 0.984 185 D CA 0.765 54.743 54.000 -0.037 0.000 0.826 185 D CB -0.555 40.240 40.800 -0.008 0.000 0.973 185 D HN 0.177 8.547 8.370 0.000 0.000 0.460 186 V N 1.656 121.492 119.914 -0.131 0.000 2.332 186 V HA -0.269 3.923 4.120 0.121 0.000 0.248 186 V C 2.568 178.499 176.094 -0.272 0.000 1.055 186 V CA 1.891 63.993 62.300 -0.329 0.000 1.038 186 V CB -0.845 30.663 31.823 -0.526 0.000 0.651 186 V HN 0.183 8.373 8.190 0.000 0.000 0.450 187 A N 0.224 122.949 122.820 -0.158 0.000 1.883 187 A HA -0.279 4.114 4.320 0.121 0.000 0.217 187 A C 2.435 180.013 177.584 -0.009 0.000 1.186 187 A CA 2.186 54.192 52.037 -0.052 0.000 0.624 187 A CB -0.617 18.360 19.000 -0.039 0.000 0.822 187 A HN 0.526 8.676 8.150 0.000 0.000 0.444 188 R N -0.250 120.223 120.500 -0.045 0.000 2.081 188 R HA -0.086 4.327 4.340 0.121 0.000 0.235 188 R C 1.998 178.245 176.300 -0.089 0.000 1.131 188 R CA 1.680 57.748 56.100 -0.054 0.000 0.960 188 R CB -0.456 29.809 30.300 -0.057 0.000 0.856 188 R HN 0.507 8.777 8.270 0.000 0.000 0.436 189 L N -0.171 120.977 121.223 -0.125 0.000 2.017 189 L HA -0.202 4.211 4.340 0.121 0.000 0.208 189 L C 2.715 179.311 176.870 -0.458 0.000 1.073 189 L CA 1.786 56.416 54.840 -0.350 0.000 0.745 189 L CB -0.777 41.175 42.059 -0.178 0.000 0.894 189 L HN 0.387 8.617 8.230 0.000 0.000 0.432 190 H N 0.238 119.241 119.070 -0.113 0.000 2.321 190 H HA -0.235 4.401 4.556 0.133 0.000 0.295 190 H C 2.084 177.470 175.328 0.096 0.000 1.102 190 H CA 1.905 58.054 56.048 0.168 0.000 1.266 190 H CB -0.077 29.776 29.762 0.150 0.000 1.363 190 H HN 0.316 8.596 8.280 0.000 0.000 0.492 191 A N -0.348 122.431 122.820 -0.068 0.000 1.902 191 A HA -0.243 4.150 4.320 0.121 0.000 0.217 191 A C 2.422 179.978 177.584 -0.045 0.000 1.181 191 A CA 1.863 53.841 52.037 -0.099 0.000 0.623 191 A CB -1.157 17.823 19.000 -0.033 0.000 0.818 191 A HN 0.816 8.966 8.150 0.000 0.000 0.443 192 H N -2.519 116.441 119.070 -0.183 0.000 2.357 192 H HA -0.163 4.470 4.556 0.128 0.000 0.301 192 H C 1.897 177.170 175.328 -0.092 0.000 1.082 192 H CA 1.552 57.514 56.048 -0.144 0.000 1.342 192 H CB -0.038 29.621 29.762 -0.172 0.000 1.389 192 H HN 0.531 8.811 8.280 0.000 0.000 0.511 193 Y N 0.877 121.022 120.300 -0.259 0.000 2.224 193 Y HA -0.184 4.431 4.550 0.110 0.000 0.289 193 Y C 2.725 178.310 175.900 -0.525 0.000 1.146 193 Y CA 0.629 58.355 58.100 -0.622 0.000 1.182 193 Y CB -0.792 37.029 38.460 -1.064 0.000 0.983 193 Y HN 0.233 8.513 8.280 0.000 0.000 0.524 194 L N -0.485 120.680 121.223 -0.097 0.000 2.083 194 L HA -0.256 4.157 4.340 0.121 0.000 0.209 194 L C 2.554 179.393 176.870 -0.050 0.000 1.083 194 L CA 1.671 56.512 54.840 0.003 0.000 0.752 194 L CB -0.543 41.495 42.059 -0.036 0.000 0.899 194 L HN 0.175 8.405 8.230 0.000 0.000 0.433 195 Q N 0.731 120.493 119.800 -0.063 0.000 2.020 195 Q HA -0.184 4.229 4.340 0.121 0.000 0.202 195 Q C 2.160 178.092 176.000 -0.113 0.000 0.982 195 Q CA 1.784 57.562 55.803 -0.041 0.000 0.838 195 Q CB -0.379 28.376 28.738 0.029 0.000 0.899 195 Q HN 0.438 8.708 8.270 0.000 0.000 0.423 196 L N 0.003 121.065 121.223 -0.268 0.000 2.042 196 L HA -0.170 4.243 4.340 0.121 0.000 0.210 196 L C 2.484 179.016 176.870 -0.563 0.000 1.076 196 L CA 1.160 55.716 54.840 -0.473 0.000 0.749 196 L CB -0.884 40.681 42.059 -0.824 0.000 0.893 196 L HN 0.337 8.567 8.230 0.000 0.000 0.432 197 A N 0.190 122.646 122.820 -0.606 0.000 1.940 197 A HA -0.243 4.150 4.320 0.121 0.000 0.219 197 A C 2.527 180.210 177.584 0.164 0.000 1.176 197 A CA 2.156 54.067 52.037 -0.211 0.000 0.631 197 A CB -0.721 18.289 19.000 0.016 0.000 0.814 197 A HN 0.544 8.694 8.150 0.000 0.000 0.446 198 S N -0.270 115.464 115.700 0.056 0.000 2.453 198 S HA -0.167 4.375 4.470 0.121 0.000 0.231 198 S C 1.813 176.451 174.600 0.062 0.000 1.005 198 S CA 1.148 59.390 58.200 0.070 0.000 0.949 198 S CB -0.307 62.912 63.200 0.033 0.000 0.774 198 S HN 0.852 9.162 8.310 0.000 0.000 0.510 199 Q N 0.246 120.088 119.800 0.070 0.000 2.316 199 Q HA 0.187 4.600 4.340 0.121 0.000 0.235 199 Q C 1.827 177.873 176.000 0.077 0.000 0.863 199 Q CA 0.032 55.863 55.803 0.048 0.000 0.939 199 Q CB -0.683 28.073 28.738 0.029 0.000 1.108 199 Q HN 0.691 8.961 8.270 0.000 0.000 0.522 200 F N -0.012 119.911 119.950 -0.046 0.000 2.216 200 F HA -0.006 4.497 4.527 -0.040 0.000 0.300 200 F C 1.605 177.429 175.800 0.040 0.000 1.085 200 F CA 0.458 58.469 58.000 0.018 0.000 1.326 200 F CB -0.350 38.718 39.000 0.112 0.000 1.027 200 F HN -0.140 8.161 8.300 0.000 0.000 0.497 201 V N 1.105 120.583 119.914 -0.727 0.000 2.358 201 V HA -0.240 3.953 4.120 0.121 0.000 0.246 201 V C 2.561 178.507 176.094 -0.247 0.000 1.047 201 V CA 2.126 64.057 62.300 -0.615 0.000 1.035 201 V CB -0.703 30.762 31.823 -0.596 0.000 0.658 201 V HN 0.650 8.840 8.190 0.000 0.000 0.452 202 S N -1.197 114.408 115.700 -0.158 0.000 2.535 202 S HA 0.040 4.583 4.470 0.121 0.000 0.214 202 S C 1.053 175.630 174.600 -0.039 0.000 0.980 202 S CA -0.151 58.001 58.200 -0.080 0.000 0.907 202 S CB -0.290 62.874 63.200 -0.061 0.000 0.790 202 S HN 0.642 8.952 8.310 0.000 0.000 0.510 203 Q N 1.973 121.761 119.800 -0.021 0.000 2.257 203 Q HA 0.018 4.431 4.340 0.121 0.000 0.273 203 Q C 0.766 176.777 176.000 0.017 0.000 1.153 203 Q CA 0.044 55.856 55.803 0.015 0.000 0.922 203 Q CB 0.426 29.196 28.738 0.053 0.000 1.242 203 Q HN 0.409 8.679 8.270 0.000 0.000 0.409 204 E N 3.436 123.643 120.200 0.012 0.000 2.017 204 E HA -0.122 4.301 4.350 0.121 0.000 0.193 204 E C -0.145 176.467 176.600 0.021 0.000 0.997 204 E CA 1.258 57.665 56.400 0.012 0.000 0.804 204 E CB 0.133 29.838 29.700 0.008 0.000 0.757 204 E HN 0.523 8.883 8.360 0.000 0.000 0.448 205 K N 1.785 122.200 120.400 0.025 0.000 2.156 205 K HA 0.345 4.737 4.320 0.121 0.000 0.271 205 K C -2.407 174.217 176.600 0.040 0.000 0.995 205 K CA -2.196 54.108 56.287 0.029 0.000 0.890 205 K CB 0.792 33.306 32.500 0.025 0.000 1.073 205 K HN -0.084 8.166 8.250 0.000 0.000 0.454 206 P HA -0.085 4.335 4.420 0.000 0.000 0.267 206 P C -0.069 177.264 177.300 0.055 0.000 1.200 206 P CA 0.191 63.324 63.100 0.055 0.000 0.772 206 P CB 0.288 32.017 31.700 0.047 0.000 0.855 207 E N 0.000 120.241 120.200 0.068 0.000 2.725 207 E HA 0.000 4.423 4.350 0.121 0.000 0.291 207 E CA 0.000 56.442 56.400 0.070 0.000 0.976 207 E CB 0.000 29.743 29.700 0.071 0.000 0.812 207 E HN 0.000 8.360 8.360 0.000 0.000 0.440