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 1rfu_1_F DATA FIRST_RESID 1 DATA SEQUENCE MEEECRVLSI QSHVVRGYVG NRAATFPLQV LGFEVDAVNS VQFSNHTGYS DATA SEQUENCE HWKGQVLNSD ELQELYDGLK LNHVNQYDYV LTGYTRDKSF LAMVVDIVQE DATA SEQUENCE LKQQNPRLVY VCDPVMGDQR NGEGAMYVPD DLLPVYREKV VPVADIITPN DATA SEQUENCE QFEAELLTGR KIHSQEEALE VMDMLHSMGP DTVVITSSNL LSPRGSDYLM DATA SEQUENCE ALGSQRTRAP DGSVVTQRIR MEMHKVDAVF VGTGDLFAAM LLAWTHKHPN DATA SEQUENCE NLKVACEKTV SAMHHVLQRT IKCAKAKSGE GVKPSPAQLE LRMVQSKKDI DATA SEQUENCE ESPEIVVQAT VL 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 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 1 M C 0.000 176.213 176.300 -0.144 0.000 1.140 1 M CA 0.000 55.207 55.300 -0.155 0.000 0.988 1 M CB 0.000 32.430 32.600 -0.283 0.000 1.302 2 E N 0.406 120.543 120.200 -0.105 0.000 4.090 2 E HA 0.453 4.806 4.350 0.004 0.000 0.235 2 E C -1.997 174.565 176.600 -0.062 0.000 1.187 2 E CA -0.051 56.300 56.400 -0.082 0.000 1.308 2 E CB 0.752 30.424 29.700 -0.046 0.000 1.222 2 E HN 0.690 9.050 8.360 -0.000 0.000 0.414 3 E N -0.589 119.558 120.200 -0.088 0.000 2.412 3 E HA 0.396 4.748 4.350 0.004 0.000 0.279 3 E C -0.884 175.662 176.600 -0.090 0.000 0.984 3 E CA -1.088 55.282 56.400 -0.051 0.000 0.788 3 E CB 0.975 30.681 29.700 0.010 0.000 1.277 3 E HN -0.118 8.242 8.360 -0.000 0.000 0.455 4 E N 0.748 120.918 120.200 -0.049 0.000 2.217 4 E HA 0.240 4.592 4.350 0.004 0.000 0.279 4 E C -0.948 175.635 176.600 -0.028 0.000 1.068 4 E CA -0.169 56.199 56.400 -0.053 0.000 0.882 4 E CB 0.966 30.651 29.700 -0.026 0.000 1.039 4 E HN 0.410 8.770 8.360 -0.000 0.000 0.418 5 C N 4.055 123.316 119.300 -0.066 0.000 2.432 5 C HA 0.341 4.804 4.460 0.004 0.000 0.334 5 C C 0.244 175.327 174.990 0.155 0.000 1.155 5 C CA -0.736 58.314 59.018 0.053 0.000 1.335 5 C CB 1.017 28.726 27.740 -0.052 0.000 1.964 5 C HN 0.661 8.891 8.230 -0.000 0.000 0.444 6 R N 2.674 123.298 120.500 0.208 0.000 2.407 6 R HA 0.820 5.163 4.340 0.004 0.000 0.303 6 R C -1.392 175.131 176.300 0.372 0.000 0.981 6 R CA -0.231 56.012 56.100 0.238 0.000 0.905 6 R CB 1.086 31.466 30.300 0.134 0.000 1.099 6 R HN 0.557 8.827 8.270 -0.000 0.000 0.459 7 V N 5.844 125.956 119.914 0.329 0.000 2.525 7 V HA 0.254 4.377 4.120 0.004 0.000 0.299 7 V C -0.819 175.359 176.094 0.140 0.000 1.034 7 V CA -0.917 61.526 62.300 0.239 0.000 0.863 7 V CB 1.512 33.362 31.823 0.045 0.000 0.999 7 V HN 0.622 8.812 8.190 -0.000 0.000 0.423 8 L N 4.649 125.819 121.223 -0.087 0.000 2.302 8 L HA 0.541 4.884 4.340 0.004 0.000 0.285 8 L C 0.393 177.162 176.870 -0.168 0.000 1.090 8 L CA 0.694 55.309 54.840 -0.376 0.000 0.866 8 L CB 0.970 42.361 42.059 -1.113 0.000 1.244 8 L HN 0.672 8.902 8.230 -0.000 0.000 0.435 9 S N 6.018 121.685 115.700 -0.055 0.000 2.452 9 S HA 0.583 5.056 4.470 0.004 0.000 0.284 9 S C -0.224 174.388 174.600 0.020 0.000 1.171 9 S CA -0.605 57.594 58.200 -0.002 0.000 1.064 9 S CB 0.128 63.342 63.200 0.023 0.000 0.967 9 S HN 0.551 8.861 8.310 -0.000 0.000 0.484 10 I N 5.607 126.206 120.570 0.047 0.000 2.405 10 I HA 0.397 4.569 4.170 0.004 0.000 0.280 10 I C -0.113 176.098 176.117 0.158 0.000 1.027 10 I CA -0.351 61.012 61.300 0.106 0.000 1.161 10 I CB 0.915 38.969 38.000 0.090 0.000 1.300 10 I HN 0.658 8.868 8.210 -0.000 0.000 0.463 11 Q N 2.946 122.826 119.800 0.134 0.000 2.737 11 Q HA 0.386 4.728 4.340 0.004 0.000 0.307 11 Q C -0.604 175.432 176.000 0.060 0.000 0.905 11 Q CA -1.046 54.832 55.803 0.125 0.000 0.753 11 Q CB 1.821 30.627 28.738 0.114 0.000 1.463 11 Q HN 0.619 8.889 8.270 -0.000 0.000 0.455 12 S N -0.368 115.350 115.700 0.029 0.000 2.584 12 S HA 0.246 4.719 4.470 0.004 0.000 0.270 12 S C -0.643 173.891 174.600 -0.110 0.000 1.346 12 S CA -0.174 57.949 58.200 -0.128 0.000 1.018 12 S CB 0.454 63.452 63.200 -0.337 0.000 0.899 12 S HN 0.658 8.968 8.310 -0.000 0.000 0.542 13 H N -0.182 118.728 119.070 -0.266 0.000 2.679 13 H HA 0.607 5.166 4.556 0.004 0.000 0.360 13 H C -0.915 174.283 175.328 -0.218 0.000 1.105 13 H CA -0.854 55.080 56.048 -0.190 0.000 1.196 13 H CB 1.615 31.301 29.762 -0.128 0.000 1.636 13 H HN 0.765 9.045 8.280 -0.000 0.000 0.531 14 V N 3.370 122.880 119.914 -0.674 0.000 2.604 14 V HA 0.359 4.482 4.120 0.004 0.000 0.305 14 V C 0.597 176.403 176.094 -0.480 0.000 1.043 14 V CA -0.731 61.336 62.300 -0.389 0.000 0.888 14 V CB 0.974 32.623 31.823 -0.290 0.000 0.995 14 V HN 0.729 8.919 8.190 -0.000 0.000 0.429 15 V N 2.533 122.353 119.914 -0.157 0.000 2.255 15 V HA -0.075 4.047 4.120 0.004 0.000 0.247 15 V C 1.527 177.512 176.094 -0.181 0.000 1.051 15 V CA 2.327 64.581 62.300 -0.076 0.000 1.018 15 V CB -0.474 31.345 31.823 -0.007 0.000 0.641 15 V HN 1.031 9.221 8.190 -0.000 0.000 0.445 16 R N -0.238 120.137 120.500 -0.208 0.000 2.604 16 R HA 0.538 4.880 4.340 0.004 0.000 0.287 16 R C -0.080 176.051 176.300 -0.283 0.000 0.970 16 R CA 0.654 56.618 56.100 -0.226 0.000 0.946 16 R CB 1.442 31.631 30.300 -0.184 0.000 1.127 16 R HN 0.546 8.816 8.270 -0.000 0.000 0.473 17 G N 1.991 110.599 108.800 -0.321 0.000 2.663 17 G HA2 -0.205 3.758 3.960 0.004 0.000 0.686 17 G HA3 -0.205 3.758 3.960 0.004 0.000 0.686 17 G C -1.836 172.665 174.900 -0.665 0.000 1.288 17 G CA -0.706 44.225 45.100 -0.281 0.000 0.836 17 G HN 0.514 8.804 8.290 -0.000 0.000 0.584 18 Y N -0.698 119.613 120.300 0.017 0.000 2.388 18 Y HA 0.680 5.232 4.550 0.004 0.000 0.328 18 Y C 0.580 176.487 175.900 0.012 0.000 0.963 18 Y CA -0.579 57.517 58.100 -0.006 0.000 1.240 18 Y CB 1.937 40.396 38.460 -0.001 0.000 1.118 18 Y HN 0.676 8.956 8.280 -0.000 0.000 0.484 19 V N 1.564 121.475 119.914 -0.005 0.000 3.177 19 V HA 0.681 4.803 4.120 0.004 0.000 0.287 19 V C 0.232 176.277 176.094 -0.082 0.000 1.465 19 V CA -0.211 62.071 62.300 -0.029 0.000 1.020 19 V CB 1.749 33.535 31.823 -0.060 0.000 1.152 19 V HN 0.953 9.143 8.190 -0.000 0.000 0.448 20 G N 3.801 112.566 108.800 -0.059 0.000 2.564 20 G HA2 -0.352 3.611 3.960 0.004 0.000 0.273 20 G HA3 -0.352 3.611 3.960 0.004 0.000 0.273 20 G C 0.716 175.620 174.900 0.007 0.000 1.242 20 G CA 1.140 46.215 45.100 -0.042 0.000 0.951 20 G HN 1.017 9.307 8.290 -0.000 0.000 0.564 21 N N 0.043 118.754 118.700 0.017 0.000 2.272 21 N HA -0.082 4.661 4.740 0.004 0.000 0.185 21 N C 2.436 177.982 175.510 0.061 0.000 1.014 21 N CA 1.118 54.203 53.050 0.059 0.000 0.870 21 N CB -0.097 38.445 38.487 0.091 0.000 0.975 21 N HN 0.365 8.745 8.380 -0.000 0.000 0.433 22 R N 0.397 120.886 120.500 -0.018 0.000 2.105 22 R HA -0.046 4.297 4.340 0.004 0.000 0.239 22 R C 1.763 178.136 176.300 0.120 0.000 1.135 22 R CA 1.165 57.234 56.100 -0.051 0.000 0.967 22 R CB -0.470 29.647 30.300 -0.306 0.000 0.861 22 R HN 0.267 8.537 8.270 -0.000 0.000 0.442 23 A N -0.215 122.683 122.820 0.130 0.000 2.081 23 A HA 0.237 4.560 4.320 0.004 0.000 0.214 23 A C 2.031 179.716 177.584 0.168 0.000 1.158 23 A CA 0.943 53.109 52.037 0.214 0.000 0.724 23 A CB 0.055 19.154 19.000 0.166 0.000 0.826 23 A HN 0.290 8.440 8.150 -0.000 0.000 0.463 24 A N -0.988 121.905 122.820 0.121 0.000 1.997 24 A HA 0.121 4.444 4.320 0.004 0.000 0.212 24 A C 2.148 179.781 177.584 0.081 0.000 1.178 24 A CA 1.687 53.772 52.037 0.081 0.000 0.698 24 A CB -0.737 18.295 19.000 0.053 0.000 0.842 24 A HN 0.337 8.487 8.150 -0.000 0.000 0.458 25 T N -0.428 114.198 114.554 0.120 0.000 2.777 25 T HA -0.099 4.254 4.350 0.004 0.000 0.266 25 T C 1.629 176.423 174.700 0.157 0.000 1.040 25 T CA 1.493 63.666 62.100 0.122 0.000 1.141 25 T CB -0.403 68.549 68.868 0.140 0.000 0.868 25 T HN 0.388 8.628 8.240 -0.000 0.000 0.444 26 F N 3.080 123.069 119.950 0.065 0.000 2.046 26 F HA -0.016 4.513 4.527 0.003 0.000 0.297 26 F C -1.004 174.811 175.800 0.026 0.000 1.123 26 F CA 0.842 58.876 58.000 0.056 0.000 1.199 26 F CB -1.364 37.681 39.000 0.075 0.000 0.972 26 F HN 0.110 8.410 8.300 -0.000 0.000 0.474 27 P HA -0.251 4.170 4.420 -0.000 0.000 0.213 27 P C 2.163 179.391 177.300 -0.120 0.000 1.176 27 P CA 2.281 65.364 63.100 -0.029 0.000 0.919 27 P CB -0.222 31.495 31.700 0.029 0.000 0.791 28 L N -1.236 119.928 121.223 -0.099 0.000 2.081 28 L HA -0.265 4.078 4.340 0.004 0.000 0.212 28 L C 2.685 179.552 176.870 -0.005 0.000 1.080 28 L CA 1.692 56.477 54.840 -0.092 0.000 0.754 28 L CB -0.976 41.001 42.059 -0.138 0.000 0.893 28 L HN 0.110 8.340 8.230 -0.000 0.000 0.433 29 Q N -0.338 119.419 119.800 -0.071 0.000 1.990 29 Q HA -0.169 4.174 4.340 0.004 0.000 0.200 29 Q C 2.306 178.192 176.000 -0.189 0.000 0.980 29 Q CA 1.852 57.595 55.803 -0.100 0.000 0.832 29 Q CB -0.363 28.315 28.738 -0.099 0.000 0.897 29 Q HN 0.570 8.840 8.270 -0.000 0.000 0.427 30 V N -1.224 118.471 119.914 -0.365 0.000 3.026 30 V HA -0.128 3.995 4.120 0.004 0.000 0.265 30 V C 1.649 177.628 176.094 -0.191 0.000 1.121 30 V CA 1.327 63.419 62.300 -0.348 0.000 1.142 30 V CB -0.562 30.934 31.823 -0.546 0.000 0.730 30 V HN 0.258 8.448 8.190 -0.000 0.000 0.503 31 L N 0.514 121.648 121.223 -0.148 0.000 2.529 31 L HA 0.459 4.802 4.340 0.004 0.000 0.223 31 L C 2.010 178.796 176.870 -0.141 0.000 1.113 31 L CA 0.909 55.682 54.840 -0.112 0.000 0.861 31 L CB 0.051 42.047 42.059 -0.104 0.000 1.012 31 L HN 0.626 8.856 8.230 -0.000 0.000 0.461 32 G N -0.883 107.829 108.800 -0.146 0.000 2.231 32 G HA2 -0.238 3.725 3.960 0.004 0.000 0.206 32 G HA3 -0.238 3.725 3.960 0.004 0.000 0.206 32 G C 0.136 174.824 174.900 -0.353 0.000 0.996 32 G CA -0.629 44.315 45.100 -0.261 0.000 0.645 32 G HN 0.074 8.364 8.290 -0.000 0.000 0.498 33 F N 1.424 121.261 119.950 -0.190 0.000 2.410 33 F HA 0.616 5.145 4.527 0.004 0.000 0.334 33 F C 0.808 176.546 175.800 -0.103 0.000 1.134 33 F CA -0.400 57.496 58.000 -0.174 0.000 1.227 33 F CB 0.994 39.855 39.000 -0.232 0.000 1.194 33 F HN 0.030 8.330 8.300 -0.000 0.000 0.571 34 E N 1.743 122.003 120.200 0.100 0.000 2.167 34 E HA 0.444 4.796 4.350 0.004 0.000 0.284 34 E C -1.365 175.312 176.600 0.129 0.000 1.016 34 E CA -0.327 56.118 56.400 0.076 0.000 0.817 34 E CB 0.794 30.523 29.700 0.047 0.000 1.080 34 E HN 0.334 8.694 8.360 -0.000 0.000 0.397 35 V N 4.108 124.086 119.914 0.107 0.000 2.547 35 V HA 0.412 4.534 4.120 0.004 0.000 0.299 35 V C -0.564 175.608 176.094 0.129 0.000 1.040 35 V CA -0.828 61.540 62.300 0.114 0.000 0.913 35 V CB 1.928 33.797 31.823 0.077 0.000 0.992 35 V HN 0.643 8.833 8.190 -0.000 0.000 0.449 36 D N 2.765 123.258 120.400 0.155 0.000 2.481 36 D HA 0.674 5.317 4.640 0.004 0.000 0.246 36 D C -0.333 176.020 176.300 0.089 0.000 1.109 36 D CA 0.101 54.200 54.000 0.166 0.000 0.845 36 D CB 1.794 42.797 40.800 0.338 0.000 1.160 36 D HN 0.813 9.183 8.370 -0.000 0.000 0.534 37 A N 2.121 124.989 122.820 0.080 0.000 2.304 37 A HA 0.666 4.989 4.320 0.004 0.000 0.323 37 A C -0.611 177.010 177.584 0.062 0.000 1.195 37 A CA -0.594 51.481 52.037 0.064 0.000 0.826 37 A CB 1.000 20.043 19.000 0.072 0.000 1.184 37 A HN 0.365 8.515 8.150 -0.000 0.000 0.496 38 V N 3.845 123.798 119.914 0.066 0.000 2.409 38 V HA 0.280 4.403 4.120 0.004 0.000 0.291 38 V C -0.635 175.517 176.094 0.096 0.000 1.020 38 V CA -0.961 61.392 62.300 0.089 0.000 0.848 38 V CB 1.668 33.562 31.823 0.117 0.000 0.990 38 V HN 0.867 9.057 8.190 -0.000 0.000 0.430 39 N N 2.970 121.706 118.700 0.060 0.000 2.462 39 N HA 0.124 4.867 4.740 0.004 0.000 0.242 39 N C 1.272 176.764 175.510 -0.030 0.000 1.010 39 N CA -0.009 53.053 53.050 0.021 0.000 0.939 39 N CB 1.810 40.283 38.487 -0.023 0.000 1.127 39 N HN 0.786 9.166 8.380 -0.000 0.000 0.509 40 S N 0.631 116.280 115.700 -0.085 0.000 2.442 40 S HA -0.057 4.415 4.470 0.004 0.000 0.236 40 S C 0.974 175.360 174.600 -0.357 0.000 1.007 40 S CA 0.588 58.542 58.200 -0.410 0.000 0.965 40 S CB -0.313 62.611 63.200 -0.460 0.000 0.773 40 S HN 0.434 8.744 8.310 -0.000 0.000 0.504 41 V N -2.487 117.274 119.914 -0.256 0.000 3.204 41 V HA 0.660 4.783 4.120 0.004 0.000 0.298 41 V C -1.542 174.368 176.094 -0.307 0.000 1.328 41 V CA -1.138 60.963 62.300 -0.332 0.000 1.035 41 V CB 1.856 33.260 31.823 -0.699 0.000 1.095 41 V HN 0.210 8.400 8.190 -0.000 0.000 0.442 42 Q N 1.726 121.413 119.800 -0.187 0.000 2.397 42 Q HA 0.660 5.002 4.340 0.004 0.000 0.260 42 Q C -2.210 173.935 176.000 0.242 0.000 1.002 42 Q CA -0.446 55.363 55.803 0.010 0.000 0.716 42 Q CB 1.383 30.160 28.738 0.064 0.000 1.258 42 Q HN 0.716 8.986 8.270 -0.000 0.000 0.477 43 F N 0.115 120.119 119.950 0.090 0.000 2.557 43 F HA 0.375 4.905 4.527 0.004 0.000 0.336 43 F C 1.695 177.514 175.800 0.031 0.000 1.058 43 F CA -0.941 57.121 58.000 0.104 0.000 0.988 43 F CB 1.335 40.404 39.000 0.116 0.000 1.275 43 F HN 0.661 8.961 8.300 -0.000 0.000 0.488 44 S N 0.489 116.336 115.700 0.246 0.000 2.355 44 S HA -0.064 4.409 4.470 0.004 0.000 0.222 44 S C 0.237 174.796 174.600 -0.069 0.000 1.031 44 S CA 1.336 59.568 58.200 0.052 0.000 0.993 44 S CB -0.798 62.405 63.200 0.005 0.000 0.859 44 S HN 0.828 9.138 8.310 -0.000 0.000 0.453 45 N N -0.226 118.429 118.700 -0.075 0.000 3.439 45 N HA 0.416 5.159 4.740 0.004 0.000 0.313 45 N C -1.143 174.301 175.510 -0.111 0.000 1.598 45 N CA -0.854 52.017 53.050 -0.300 0.000 0.830 45 N CB 0.158 38.112 38.487 -0.888 0.000 1.849 45 N HN 0.431 8.811 8.380 -0.000 0.000 0.598 46 H N -2.497 116.510 119.070 -0.105 0.000 2.481 46 H HA 0.385 4.944 4.556 0.004 0.000 0.339 46 H C 0.720 176.021 175.328 -0.045 0.000 1.131 46 H CA -0.078 55.919 56.048 -0.086 0.000 1.301 46 H CB 0.775 30.489 29.762 -0.079 0.000 1.476 46 H HN 0.719 8.999 8.280 -0.000 0.000 0.529 47 T N -0.683 113.790 114.554 -0.135 0.000 3.026 47 T HA -0.138 4.214 4.350 0.004 0.000 0.271 47 T C 2.030 176.783 174.700 0.088 0.000 1.149 47 T CA 0.851 62.745 62.100 -0.343 0.000 1.088 47 T CB -0.850 67.586 68.868 -0.720 0.000 0.857 47 T HN 0.809 9.049 8.240 -0.000 0.000 0.551 48 G N -0.251 108.828 108.800 0.466 0.000 2.471 48 G HA2 0.040 4.002 3.960 0.004 0.000 0.219 48 G HA3 0.040 4.002 3.960 0.004 0.000 0.219 48 G C 0.260 175.227 174.900 0.112 0.000 1.125 48 G CA -0.156 45.124 45.100 0.299 0.000 0.775 48 G HN 0.585 8.875 8.290 -0.000 0.000 0.548 49 Y N 0.481 120.758 120.300 -0.038 0.000 2.357 49 Y HA 0.183 4.735 4.550 0.004 0.000 0.340 49 Y C 2.130 178.040 175.900 0.016 0.000 1.260 49 Y CA -0.032 58.038 58.100 -0.050 0.000 1.425 49 Y CB 1.046 39.455 38.460 -0.084 0.000 1.326 49 Y HN -0.020 8.260 8.280 -0.000 0.000 0.580 50 S N -0.278 115.483 115.700 0.102 0.000 2.370 50 S HA -0.154 4.319 4.470 0.004 0.000 0.226 50 S C 0.047 174.477 174.600 -0.284 0.000 1.033 50 S CA 1.166 59.277 58.200 -0.149 0.000 1.011 50 S CB -0.335 62.692 63.200 -0.290 0.000 0.852 50 S HN 0.534 8.844 8.310 -0.000 0.000 0.457 51 H N -0.935 118.226 119.070 0.151 0.000 2.797 51 H HA 0.462 5.021 4.556 0.004 0.000 0.372 51 H C -0.719 174.702 175.328 0.156 0.000 1.168 51 H CA -0.904 55.185 56.048 0.067 0.000 1.163 51 H CB 1.501 31.252 29.762 -0.018 0.000 1.778 51 H HN 0.457 8.737 8.280 -0.000 0.000 0.551 52 W N 0.713 122.021 121.300 0.013 0.000 3.800 52 W HA 0.493 5.155 4.660 0.004 0.000 0.299 52 W C -2.101 174.308 176.519 -0.184 0.000 1.231 52 W CA -0.825 56.454 57.345 -0.110 0.000 1.232 52 W CB 1.164 30.535 29.460 -0.148 0.000 1.291 52 W HN 0.432 8.612 8.180 -0.000 0.000 0.514 53 K N 1.745 122.085 120.400 -0.099 0.000 2.444 53 K HA 0.865 5.187 4.320 0.004 0.000 0.252 53 K C -0.125 176.472 176.600 -0.004 0.000 0.993 53 K CA -0.794 55.343 56.287 -0.251 0.000 0.847 53 K CB 2.758 35.157 32.500 -0.169 0.000 1.340 53 K HN 0.870 9.120 8.250 -0.000 0.000 0.446 54 G N 0.406 109.220 108.800 0.022 0.000 2.341 54 G HA2 0.101 4.064 3.960 0.004 0.000 0.293 54 G HA3 0.101 4.064 3.960 0.004 0.000 0.293 54 G C -2.052 173.054 174.900 0.344 0.000 1.298 54 G CA -0.743 44.557 45.100 0.333 0.000 0.868 54 G HN 0.421 8.711 8.290 -0.000 0.000 0.540 55 Q N -0.794 119.257 119.800 0.418 0.000 2.359 55 Q HA 0.832 5.175 4.340 0.004 0.000 0.275 55 Q C -0.863 175.337 176.000 0.333 0.000 1.082 55 Q CA -1.037 54.942 55.803 0.294 0.000 0.849 55 Q CB 2.401 31.230 28.738 0.152 0.000 1.377 55 Q HN 0.809 9.079 8.270 -0.000 0.000 0.452 56 V N 0.653 120.700 119.914 0.223 0.000 3.001 56 V HA 0.498 4.620 4.120 0.004 0.000 0.314 56 V C -0.604 175.513 176.094 0.037 0.000 1.099 56 V CA -0.940 61.439 62.300 0.132 0.000 0.989 56 V CB 1.926 33.864 31.823 0.192 0.000 1.040 56 V HN 0.621 8.811 8.190 -0.000 0.000 0.434 57 L N 2.824 124.005 121.223 -0.070 0.000 2.334 57 L HA 0.610 4.953 4.340 0.004 0.000 0.272 57 L C -0.066 176.823 176.870 0.031 0.000 1.020 57 L CA -0.010 54.815 54.840 -0.025 0.000 0.812 57 L CB 1.704 43.745 42.059 -0.031 0.000 1.264 57 L HN 0.957 9.187 8.230 -0.000 0.000 0.439 58 N N -1.692 117.098 118.700 0.150 0.000 2.457 58 N HA 0.349 5.091 4.740 0.004 0.000 0.290 58 N C 0.525 176.191 175.510 0.261 0.000 1.232 58 N CA -0.363 52.805 53.050 0.197 0.000 0.852 58 N CB 0.797 39.353 38.487 0.117 0.000 1.313 58 N HN 0.432 8.812 8.380 -0.000 0.000 0.522 59 S N -0.646 115.171 115.700 0.195 0.000 2.400 59 S HA -0.275 4.198 4.470 0.004 0.000 0.234 59 S C 0.781 175.417 174.600 0.060 0.000 1.049 59 S CA 1.707 59.957 58.200 0.084 0.000 1.039 59 S CB -0.633 62.586 63.200 0.031 0.000 0.856 59 S HN 0.667 8.977 8.310 -0.000 0.000 0.465 60 D N 1.527 121.972 120.400 0.074 0.000 2.103 60 D HA -0.045 4.598 4.640 0.004 0.000 0.199 60 D C 2.171 178.516 176.300 0.075 0.000 0.978 60 D CA 1.212 55.248 54.000 0.060 0.000 0.829 60 D CB -0.402 40.430 40.800 0.053 0.000 0.981 60 D HN 0.616 8.986 8.370 -0.000 0.000 0.464 61 E N 0.238 120.501 120.200 0.105 0.000 2.110 61 E HA -0.148 4.205 4.350 0.004 0.000 0.193 61 E C 2.099 178.782 176.600 0.138 0.000 0.988 61 E CA 0.385 56.853 56.400 0.113 0.000 0.804 61 E CB -0.090 29.683 29.700 0.121 0.000 0.745 61 E HN 0.153 8.513 8.360 -0.000 0.000 0.458 62 L N 1.414 122.741 121.223 0.174 0.000 2.109 62 L HA -0.169 4.174 4.340 0.004 0.000 0.207 62 L C 2.430 179.334 176.870 0.057 0.000 1.086 62 L CA 1.733 56.644 54.840 0.117 0.000 0.760 62 L CB -0.467 41.528 42.059 -0.108 0.000 0.910 62 L HN -0.029 8.201 8.230 -0.000 0.000 0.437 63 Q N 0.209 120.035 119.800 0.043 0.000 2.030 63 Q HA -0.257 4.085 4.340 0.004 0.000 0.204 63 Q C 2.170 178.226 176.000 0.093 0.000 0.986 63 Q CA 2.291 58.134 55.803 0.066 0.000 0.843 63 Q CB -0.335 28.428 28.738 0.042 0.000 0.904 63 Q HN 0.625 8.895 8.270 -0.000 0.000 0.420 64 E N -0.435 119.806 120.200 0.070 0.000 2.068 64 E HA -0.257 4.096 4.350 0.004 0.000 0.207 64 E C 1.976 178.610 176.600 0.057 0.000 1.032 64 E CA 1.840 58.272 56.400 0.054 0.000 0.839 64 E CB -0.320 29.410 29.700 0.050 0.000 0.758 64 E HN 0.397 8.757 8.360 -0.000 0.000 0.457 65 L N -0.459 120.812 121.223 0.080 0.000 1.989 65 L HA -0.233 4.110 4.340 0.004 0.000 0.211 65 L C 2.574 179.501 176.870 0.095 0.000 1.071 65 L CA 1.480 56.369 54.840 0.082 0.000 0.749 65 L CB -0.707 41.415 42.059 0.104 0.000 0.890 65 L HN 0.238 8.468 8.230 -0.000 0.000 0.431 66 Y N 1.308 121.605 120.300 -0.004 0.000 2.128 66 Y HA -0.314 4.239 4.550 0.004 0.000 0.284 66 Y C 2.348 178.245 175.900 -0.004 0.000 1.154 66 Y CA 1.800 59.895 58.100 -0.008 0.000 1.149 66 Y CB -0.390 38.047 38.460 -0.038 0.000 0.976 66 Y HN 0.240 8.520 8.280 -0.000 0.000 0.505 67 D N -0.681 119.717 120.400 -0.004 0.000 2.104 67 D HA -0.168 4.475 4.640 0.004 0.000 0.194 67 D C 2.421 178.646 176.300 -0.125 0.000 0.994 67 D CA 1.578 55.531 54.000 -0.079 0.000 0.830 67 D CB -0.997 39.798 40.800 -0.009 0.000 0.959 67 D HN 0.500 8.870 8.370 -0.000 0.000 0.452 68 G N 0.770 109.527 108.800 -0.071 0.000 2.491 68 G HA2 -0.259 3.704 3.960 0.004 0.000 0.218 68 G HA3 -0.259 3.704 3.960 0.004 0.000 0.218 68 G C 1.750 176.580 174.900 -0.117 0.000 1.180 68 G CA 0.800 45.856 45.100 -0.073 0.000 0.774 68 G HN 0.285 8.575 8.290 -0.000 0.000 0.562 69 L N -0.105 121.039 121.223 -0.132 0.000 2.046 69 L HA -0.036 4.307 4.340 0.004 0.000 0.208 69 L C 2.766 179.493 176.870 -0.238 0.000 1.077 69 L CA 1.413 56.165 54.840 -0.147 0.000 0.747 69 L CB -0.388 41.611 42.059 -0.100 0.000 0.896 69 L HN 0.145 8.375 8.230 -0.000 0.000 0.432 70 K N 1.121 121.302 120.400 -0.366 0.000 1.987 70 K HA -0.190 4.132 4.320 0.004 0.000 0.216 70 K C 1.978 178.409 176.600 -0.281 0.000 1.051 70 K CA 1.803 57.882 56.287 -0.346 0.000 0.942 70 K CB -0.797 31.485 32.500 -0.363 0.000 0.722 70 K HN 0.117 8.367 8.250 -0.000 0.000 0.444 71 L N 0.830 121.897 121.223 -0.260 0.000 2.137 71 L HA -0.255 4.088 4.340 0.004 0.000 0.213 71 L C 1.743 178.316 176.870 -0.496 0.000 1.085 71 L CA 1.434 56.090 54.840 -0.306 0.000 0.760 71 L CB -0.487 41.460 42.059 -0.187 0.000 0.893 71 L HN 0.321 8.551 8.230 -0.000 0.000 0.434 72 N N -1.687 116.792 118.700 -0.369 0.000 2.336 72 N HA -0.042 4.701 4.740 0.004 0.000 0.189 72 N C -0.188 175.177 175.510 -0.240 0.000 1.113 72 N CA 0.207 53.069 53.050 -0.313 0.000 0.858 72 N CB 0.232 38.636 38.487 -0.138 0.000 0.970 72 N HN 0.347 8.727 8.380 -0.000 0.000 0.471 73 H N -1.268 117.754 119.070 -0.079 0.000 2.931 73 H HA -0.072 4.487 4.556 0.004 0.000 0.290 73 H C 0.576 175.851 175.328 -0.089 0.000 1.264 73 H CA 0.717 56.718 56.048 -0.079 0.000 1.140 73 H CB -1.974 27.753 29.762 -0.058 0.000 1.343 73 H HN 0.127 8.407 8.280 -0.000 0.000 0.403 74 V N -1.652 118.245 119.914 -0.030 0.000 3.276 74 V HA 0.111 4.234 4.120 0.004 0.000 0.319 74 V C 1.191 177.199 176.094 -0.144 0.000 1.427 74 V CA 0.149 62.403 62.300 -0.077 0.000 1.102 74 V CB 0.695 32.480 31.823 -0.062 0.000 1.020 74 V HN 0.406 8.596 8.190 -0.000 0.000 0.456 75 N N 1.876 120.517 118.700 -0.098 0.000 3.178 75 N HA 0.179 4.921 4.740 0.004 0.000 0.300 75 N C -0.360 175.115 175.510 -0.058 0.000 1.242 75 N CA 0.077 53.125 53.050 -0.003 0.000 1.192 75 N CB 0.292 38.730 38.487 -0.081 0.000 1.463 75 N HN 0.732 9.112 8.380 -0.000 0.000 0.539 76 Q N 1.478 121.018 119.800 -0.433 0.000 2.275 76 Q HA 0.373 4.715 4.340 0.004 0.000 0.266 76 Q C -1.350 174.264 176.000 -0.644 0.000 1.002 76 Q CA -0.548 55.065 55.803 -0.317 0.000 0.761 76 Q CB 1.539 30.163 28.738 -0.190 0.000 1.255 76 Q HN 0.392 8.662 8.270 -0.000 0.000 0.446 77 Y N -0.143 120.192 120.300 0.058 0.000 2.686 77 Y HA 0.381 4.934 4.550 0.004 0.000 0.330 77 Y C 0.691 176.632 175.900 0.068 0.000 1.082 77 Y CA -0.813 57.331 58.100 0.074 0.000 1.158 77 Y CB 1.488 39.998 38.460 0.082 0.000 1.333 77 Y HN 0.517 8.797 8.280 -0.000 0.000 0.519 78 D N -1.230 119.344 120.400 0.290 0.000 2.473 78 D HA 0.105 4.747 4.640 0.004 0.000 0.230 78 D C -0.823 175.488 176.300 0.019 0.000 1.097 78 D CA 0.831 54.929 54.000 0.163 0.000 0.861 78 D CB 0.930 41.892 40.800 0.269 0.000 1.114 78 D HN 0.323 8.693 8.370 -0.000 0.000 0.500 79 Y N -0.414 119.987 120.300 0.168 0.000 2.677 79 Y HA 0.496 5.049 4.550 0.005 0.000 0.334 79 Y C -0.502 175.437 175.900 0.066 0.000 1.154 79 Y CA -0.955 57.211 58.100 0.110 0.000 1.070 79 Y CB 2.093 40.583 38.460 0.050 0.000 1.294 79 Y HN -0.433 7.847 8.280 -0.000 0.000 0.475 80 V N 2.105 122.170 119.914 0.252 0.000 2.851 80 V HA 0.479 4.602 4.120 0.004 0.000 0.307 80 V C -1.790 174.435 176.094 0.218 0.000 1.129 80 V CA -0.629 61.715 62.300 0.074 0.000 0.932 80 V CB 2.377 34.106 31.823 -0.156 0.000 1.024 80 V HN 0.481 8.671 8.190 -0.000 0.000 0.426 81 L N 4.931 126.228 121.223 0.123 0.000 2.409 81 L HA 0.929 5.272 4.340 0.004 0.000 0.272 81 L C -0.166 176.805 176.870 0.169 0.000 0.980 81 L CA 0.198 55.142 54.840 0.172 0.000 0.826 81 L CB 2.146 44.244 42.059 0.064 0.000 1.268 81 L HN 0.906 9.136 8.230 -0.000 0.000 0.407 82 T N 1.252 115.974 114.554 0.280 0.000 2.900 82 T HA 0.970 5.323 4.350 0.004 0.000 0.295 82 T C -0.179 174.672 174.700 0.253 0.000 1.044 82 T CA -0.040 62.209 62.100 0.250 0.000 0.995 82 T CB 1.909 70.954 68.868 0.296 0.000 1.072 82 T HN 0.859 9.099 8.240 -0.000 0.000 0.473 83 G N 0.470 109.415 108.800 0.242 0.000 3.198 83 G HA2 0.426 4.388 3.960 0.004 0.000 0.166 83 G HA3 0.426 4.388 3.960 0.004 0.000 0.166 83 G C -1.122 173.949 174.900 0.286 0.000 1.134 83 G CA -0.960 44.291 45.100 0.252 0.000 0.941 83 G HN 0.801 9.091 8.290 -0.000 0.000 0.639 84 Y N 2.091 122.469 120.300 0.130 0.000 2.916 84 Y HA 0.305 4.858 4.550 0.005 0.000 0.344 84 Y C 0.052 175.991 175.900 0.064 0.000 1.282 84 Y CA 1.438 59.597 58.100 0.098 0.000 1.604 84 Y CB 0.091 38.551 38.460 -0.001 0.000 1.207 84 Y HN 0.383 8.663 8.280 -0.000 0.000 0.561 85 T N 6.839 121.213 114.554 -0.300 0.000 2.889 85 T HA 0.402 4.755 4.350 0.004 0.000 0.315 85 T C 0.169 174.675 174.700 -0.322 0.000 1.291 85 T CA -1.017 60.953 62.100 -0.218 0.000 1.028 85 T CB 1.852 70.731 68.868 0.018 0.000 1.235 85 T HN 0.615 8.855 8.240 -0.000 0.000 0.491 86 R N -0.025 120.377 120.500 -0.164 0.000 2.509 86 R HA 0.211 4.554 4.340 0.004 0.000 0.297 86 R C -0.424 175.889 176.300 0.022 0.000 0.951 86 R CA -0.303 55.765 56.100 -0.053 0.000 1.103 86 R CB 0.627 30.973 30.300 0.077 0.000 1.283 86 R HN 0.443 8.713 8.270 -0.000 0.000 0.534 87 D N 1.706 122.118 120.400 0.020 0.000 2.392 87 D HA 0.042 4.685 4.640 0.004 0.000 0.228 87 D C 0.657 177.018 176.300 0.102 0.000 1.074 87 D CA -0.100 53.946 54.000 0.077 0.000 0.838 87 D CB 1.481 42.340 40.800 0.100 0.000 1.067 87 D HN -0.066 8.304 8.370 -0.000 0.000 0.511 88 K N 2.218 122.655 120.400 0.062 0.000 2.063 88 K HA -0.148 4.175 4.320 0.004 0.000 0.208 88 K C 1.250 177.865 176.600 0.025 0.000 1.048 88 K CA 1.275 57.578 56.287 0.027 0.000 0.928 88 K CB 0.141 32.654 32.500 0.022 0.000 0.713 88 K HN 0.199 8.449 8.250 -0.000 0.000 0.442 89 S N 0.735 116.467 115.700 0.054 0.000 2.359 89 S HA -0.155 4.318 4.470 0.004 0.000 0.224 89 S C 1.553 176.178 174.600 0.042 0.000 1.035 89 S CA 1.476 59.700 58.200 0.040 0.000 1.018 89 S CB -0.556 62.680 63.200 0.060 0.000 0.876 89 S HN 0.414 8.724 8.310 -0.000 0.000 0.448 90 F N 2.105 122.029 119.950 -0.044 0.000 2.043 90 F HA -0.174 4.356 4.527 0.004 0.000 0.297 90 F C 2.089 177.832 175.800 -0.094 0.000 1.121 90 F CA 1.368 59.336 58.000 -0.054 0.000 1.199 90 F CB -0.662 38.319 39.000 -0.032 0.000 0.968 90 F HN 0.128 8.428 8.300 -0.000 0.000 0.478 91 L N 0.699 121.971 121.223 0.081 0.000 1.990 91 L HA -0.188 4.154 4.340 0.004 0.000 0.213 91 L C 2.506 179.260 176.870 -0.194 0.000 1.072 91 L CA 2.248 57.024 54.840 -0.107 0.000 0.755 91 L CB -1.512 40.413 42.059 -0.223 0.000 0.889 91 L HN 0.226 8.456 8.230 -0.000 0.000 0.432 92 A N -0.614 122.117 122.820 -0.148 0.000 1.859 92 A HA -0.357 3.965 4.320 0.004 0.000 0.217 92 A C 2.461 179.940 177.584 -0.176 0.000 1.198 92 A CA 2.731 54.685 52.037 -0.138 0.000 0.629 92 A CB -0.920 18.025 19.000 -0.090 0.000 0.830 92 A HN 0.641 8.791 8.150 -0.000 0.000 0.446 93 M N -0.300 119.176 119.600 -0.206 0.000 2.106 93 M HA -0.161 4.321 4.480 0.004 0.000 0.259 93 M C 1.886 177.979 176.300 -0.344 0.000 1.068 93 M CA 2.196 57.341 55.300 -0.258 0.000 1.100 93 M CB -0.355 32.075 32.600 -0.283 0.000 1.351 93 M HN 0.177 8.467 8.290 -0.000 0.000 0.404 94 V N -0.039 119.626 119.914 -0.416 0.000 2.324 94 V HA -0.296 3.827 4.120 0.004 0.000 0.250 94 V C 2.350 178.235 176.094 -0.347 0.000 1.060 94 V CA 1.927 63.968 62.300 -0.431 0.000 1.042 94 V CB -0.852 30.747 31.823 -0.373 0.000 0.650 94 V HN 0.480 8.670 8.190 -0.000 0.000 0.450 95 V N 0.285 120.049 119.914 -0.250 0.000 2.237 95 V HA -0.286 3.837 4.120 0.004 0.000 0.245 95 V C 2.293 178.276 176.094 -0.184 0.000 1.046 95 V CA 2.361 64.554 62.300 -0.178 0.000 1.007 95 V CB -0.865 30.895 31.823 -0.106 0.000 0.638 95 V HN 0.546 8.736 8.190 -0.000 0.000 0.445 96 D N 0.208 120.501 120.400 -0.177 0.000 2.133 96 D HA -0.201 4.441 4.640 0.004 0.000 0.192 96 D C 2.020 178.198 176.300 -0.204 0.000 1.001 96 D CA 1.647 55.554 54.000 -0.155 0.000 0.844 96 D CB -0.397 40.318 40.800 -0.143 0.000 0.944 96 D HN 0.414 8.784 8.370 -0.000 0.000 0.447 97 I N 0.476 120.849 120.570 -0.329 0.000 2.127 97 I HA -0.266 3.907 4.170 0.004 0.000 0.241 97 I C 2.418 178.347 176.117 -0.312 0.000 1.075 97 I CA 0.826 61.843 61.300 -0.471 0.000 1.334 97 I CB -0.486 37.071 38.000 -0.737 0.000 1.040 97 I HN -0.062 8.148 8.210 -0.000 0.000 0.405 98 V N 0.612 120.334 119.914 -0.320 0.000 2.282 98 V HA -0.347 3.775 4.120 0.004 0.000 0.249 98 V C 2.461 178.474 176.094 -0.135 0.000 1.057 98 V CA 2.021 64.153 62.300 -0.281 0.000 1.032 98 V CB -0.915 30.663 31.823 -0.410 0.000 0.645 98 V HN 0.500 8.690 8.190 -0.000 0.000 0.447 99 Q N -0.477 119.261 119.800 -0.103 0.000 2.079 99 Q HA -0.251 4.092 4.340 0.004 0.000 0.200 99 Q C 2.420 178.407 176.000 -0.022 0.000 0.974 99 Q CA 1.767 57.544 55.803 -0.044 0.000 0.840 99 Q CB -0.236 28.480 28.738 -0.036 0.000 0.898 99 Q HN 0.747 9.017 8.270 -0.000 0.000 0.430 100 E N 0.747 120.930 120.200 -0.027 0.000 2.118 100 E HA -0.215 4.138 4.350 0.004 0.000 0.195 100 E C 1.878 178.509 176.600 0.051 0.000 0.992 100 E CA 0.857 57.270 56.400 0.022 0.000 0.804 100 E CB 0.002 29.734 29.700 0.055 0.000 0.741 100 E HN 0.323 8.683 8.360 -0.000 0.000 0.458 101 L N 0.267 121.517 121.223 0.045 0.000 2.072 101 L HA -0.114 4.229 4.340 0.004 0.000 0.205 101 L C 2.646 179.546 176.870 0.050 0.000 1.079 101 L CA 0.984 55.873 54.840 0.080 0.000 0.752 101 L CB -0.290 41.828 42.059 0.098 0.000 0.906 101 L HN 0.011 8.241 8.230 -0.000 0.000 0.436 102 K N -0.303 120.110 120.400 0.023 0.000 2.147 102 K HA -0.218 4.105 4.320 0.004 0.000 0.205 102 K C 2.211 178.824 176.600 0.022 0.000 1.049 102 K CA 1.226 57.526 56.287 0.022 0.000 0.936 102 K CB 0.031 32.544 32.500 0.020 0.000 0.722 102 K HN 0.172 8.422 8.250 -0.000 0.000 0.446 103 Q N 0.823 120.636 119.800 0.022 0.000 1.993 103 Q HA -0.153 4.190 4.340 0.004 0.000 0.202 103 Q C 1.962 177.976 176.000 0.023 0.000 0.984 103 Q CA 1.666 57.481 55.803 0.020 0.000 0.837 103 Q CB -0.070 28.681 28.738 0.020 0.000 0.902 103 Q HN 0.318 8.588 8.270 -0.000 0.000 0.423 104 Q N -0.049 119.770 119.800 0.032 0.000 2.096 104 Q HA -0.111 4.232 4.340 0.004 0.000 0.204 104 Q C 0.420 176.434 176.000 0.023 0.000 0.982 104 Q CA 1.125 56.946 55.803 0.030 0.000 0.850 104 Q CB -0.182 28.582 28.738 0.044 0.000 0.901 104 Q HN 0.306 8.576 8.270 -0.000 0.000 0.422 105 N N 0.033 118.751 118.700 0.029 0.000 2.573 105 N HA 0.142 4.885 4.740 0.004 0.000 0.262 105 N C -2.477 173.041 175.510 0.015 0.000 1.029 105 N CA -1.803 51.259 53.050 0.021 0.000 0.882 105 N CB 1.560 40.064 38.487 0.028 0.000 1.204 105 N HN -0.228 8.152 8.380 -0.000 0.000 0.519 106 P HA -0.055 4.365 4.420 -0.000 0.000 0.220 106 P C 0.833 178.132 177.300 -0.002 0.000 1.148 106 P CA 0.841 63.944 63.100 0.006 0.000 0.803 106 P CB 0.222 31.925 31.700 0.005 0.000 0.782 107 R N -0.909 119.585 120.500 -0.009 0.000 2.299 107 R HA 0.114 4.457 4.340 0.004 0.000 0.197 107 R C 0.994 177.255 176.300 -0.066 0.000 0.971 107 R CA -0.168 55.916 56.100 -0.026 0.000 1.030 107 R CB -0.728 29.562 30.300 -0.017 0.000 0.932 107 R HN 0.301 8.571 8.270 -0.000 0.000 0.477 108 L N 1.656 122.849 121.223 -0.050 0.000 2.485 108 L HA 0.059 4.402 4.340 0.004 0.000 0.275 108 L C -0.518 176.285 176.870 -0.112 0.000 1.207 108 L CA 0.042 54.831 54.840 -0.085 0.000 0.855 108 L CB 0.759 42.815 42.059 -0.005 0.000 1.114 108 L HN -0.252 7.978 8.230 -0.000 0.000 0.485 109 V N 5.642 125.411 119.914 -0.242 0.000 2.495 109 V HA 0.274 4.396 4.120 0.004 0.000 0.298 109 V C -0.811 175.341 176.094 0.095 0.000 1.031 109 V CA -0.458 61.763 62.300 -0.133 0.000 0.871 109 V CB 1.451 33.095 31.823 -0.299 0.000 0.988 109 V HN 0.670 8.860 8.190 -0.000 0.000 0.432 110 Y N 4.261 124.569 120.300 0.015 0.000 2.345 110 Y HA 0.666 5.219 4.550 0.004 0.000 0.331 110 Y C -0.639 175.305 175.900 0.074 0.000 0.959 110 Y CA -0.959 57.170 58.100 0.048 0.000 1.204 110 Y CB 1.693 40.164 38.460 0.018 0.000 1.135 110 Y HN 0.429 8.709 8.280 -0.000 0.000 0.477 111 V N 6.885 126.951 119.914 0.253 0.000 2.406 111 V HA 0.159 4.281 4.120 0.004 0.000 0.272 111 V C -0.220 175.819 176.094 -0.092 0.000 1.043 111 V CA -0.563 61.751 62.300 0.023 0.000 0.915 111 V CB 0.910 32.786 31.823 0.089 0.000 0.988 111 V HN 0.910 9.100 8.190 -0.000 0.000 0.466 112 C N 4.923 124.042 119.300 -0.301 0.000 2.319 112 C HA 0.603 5.066 4.460 0.004 0.000 0.323 112 C C -0.418 174.561 174.990 -0.018 0.000 1.277 112 C CA -0.634 58.267 59.018 -0.196 0.000 1.517 112 C CB 0.621 28.094 27.740 -0.445 0.000 2.206 112 C HN 0.918 9.148 8.230 -0.000 0.000 0.486 113 D N 7.158 127.611 120.400 0.087 0.000 2.443 113 D HA 0.363 5.006 4.640 0.004 0.000 0.221 113 D C -1.968 174.358 176.300 0.043 0.000 1.097 113 D CA -2.007 52.038 54.000 0.075 0.000 0.865 113 D CB 1.441 42.311 40.800 0.117 0.000 1.034 113 D HN 0.509 8.879 8.370 -0.000 0.000 0.511 114 P HA 0.005 4.425 4.420 -0.000 0.000 0.235 114 P C -0.205 176.827 177.300 -0.446 0.000 1.765 114 P CA -0.276 62.570 63.100 -0.424 0.000 1.034 114 P CB -0.065 31.428 31.700 -0.346 0.000 1.984 115 V N 3.791 123.562 119.914 -0.240 0.000 2.403 115 V HA 0.045 4.168 4.120 0.004 0.000 0.265 115 V C 1.556 177.564 176.094 -0.143 0.000 1.034 115 V CA 1.002 63.271 62.300 -0.052 0.000 1.036 115 V CB -0.196 31.738 31.823 0.186 0.000 1.032 115 V HN 0.411 8.601 8.190 -0.000 0.000 0.478 116 M N 3.080 122.556 119.600 -0.208 0.000 2.049 116 M HA 0.400 4.882 4.480 0.004 0.000 0.223 116 M C 0.857 176.895 176.300 -0.436 0.000 1.356 116 M CA 0.545 55.707 55.300 -0.230 0.000 1.017 116 M CB 1.251 33.689 32.600 -0.270 0.000 1.639 116 M HN 0.673 8.963 8.290 -0.000 0.000 0.583 117 G N -0.309 108.161 108.800 -0.551 0.000 2.663 117 G HA2 0.537 4.500 3.960 0.004 0.000 0.299 117 G HA3 0.537 4.500 3.960 0.004 0.000 0.299 117 G C -2.374 172.166 174.900 -0.600 0.000 1.372 117 G CA -0.254 44.403 45.100 -0.738 0.000 0.781 117 G HN 0.029 8.319 8.290 -0.000 0.000 0.491 118 D N -0.981 119.087 120.400 -0.553 0.000 2.619 118 D HA 0.508 5.150 4.640 0.004 0.000 0.241 118 D C -0.053 175.887 176.300 -0.599 0.000 1.087 118 D CA -0.408 53.413 54.000 -0.299 0.000 0.851 118 D CB 2.051 42.845 40.800 -0.010 0.000 1.474 118 D HN 0.292 8.662 8.370 -0.000 0.000 0.478 119 Q N 1.094 120.684 119.800 -0.349 0.000 2.268 119 Q HA 0.234 4.577 4.340 0.004 0.000 0.289 119 Q C -0.108 175.786 176.000 -0.177 0.000 0.893 119 Q CA -0.532 55.077 55.803 -0.322 0.000 1.057 119 Q CB 0.087 28.775 28.738 -0.084 0.000 1.173 119 Q HN 0.246 8.516 8.270 -0.000 0.000 0.449 120 R N -0.056 120.342 120.500 -0.169 0.000 2.539 120 R HA 0.339 4.682 4.340 0.004 0.000 0.275 120 R C -0.549 175.693 176.300 -0.097 0.000 1.077 120 R CA -0.370 55.669 56.100 -0.102 0.000 1.097 120 R CB 0.221 30.474 30.300 -0.079 0.000 1.018 120 R HN 0.129 8.399 8.270 -0.000 0.000 0.483 121 N N 0.386 119.045 118.700 -0.068 0.000 2.776 121 N HA -0.199 4.544 4.740 0.004 0.000 0.249 121 N C 0.244 175.724 175.510 -0.051 0.000 1.111 121 N CA 1.526 54.543 53.050 -0.056 0.000 0.711 121 N CB -1.087 37.366 38.487 -0.057 0.000 1.065 121 N HN 1.129 9.508 8.380 -0.000 0.000 0.556 122 G N -0.414 108.358 108.800 -0.047 0.000 3.050 122 G HA2 -0.236 3.726 3.960 0.004 0.000 0.234 122 G HA3 -0.236 3.726 3.960 0.004 0.000 0.234 122 G C -0.885 173.992 174.900 -0.040 0.000 1.521 122 G CA -0.040 45.041 45.100 -0.032 0.000 1.090 122 G HN 0.597 8.887 8.290 -0.000 0.000 0.556 123 E N 1.153 121.329 120.200 -0.040 0.000 2.248 123 E HA 0.617 4.970 4.350 0.004 0.000 0.272 123 E C 0.512 177.030 176.600 -0.136 0.000 1.008 123 E CA -0.388 55.990 56.400 -0.037 0.000 0.856 123 E CB 1.936 31.645 29.700 0.015 0.000 1.120 123 E HN 0.951 9.311 8.360 -0.000 0.000 0.397 124 G N 0.438 109.056 108.800 -0.303 0.000 2.795 124 G HA2 0.686 4.649 3.960 0.004 0.000 0.267 124 G HA3 0.686 4.649 3.960 0.004 0.000 0.267 124 G C -1.235 173.338 174.900 -0.546 0.000 1.362 124 G CA -0.513 44.216 45.100 -0.618 0.000 1.048 124 G HN 0.698 8.988 8.290 -0.000 0.000 0.547 125 A N -0.954 121.492 122.820 -0.624 0.000 2.515 125 A HA 0.699 5.022 4.320 0.004 0.000 0.298 125 A C -0.305 177.216 177.584 -0.106 0.000 1.059 125 A CA -0.650 51.290 52.037 -0.161 0.000 0.698 125 A CB 1.278 20.244 19.000 -0.056 0.000 1.289 125 A HN 0.592 8.742 8.150 -0.000 0.000 0.404 126 M N 1.368 121.073 119.600 0.175 0.000 2.243 126 M HA 0.232 4.715 4.480 0.004 0.000 0.341 126 M C -0.230 176.125 176.300 0.091 0.000 1.130 126 M CA 0.277 55.648 55.300 0.118 0.000 1.162 126 M CB 0.319 32.990 32.600 0.117 0.000 1.497 126 M HN 0.769 9.059 8.290 -0.000 0.000 0.456 127 Y N 0.623 120.990 120.300 0.111 0.000 2.720 127 Y HA 0.566 5.118 4.550 0.005 0.000 0.277 127 Y C -0.428 175.531 175.900 0.098 0.000 1.144 127 Y CA -1.284 56.873 58.100 0.095 0.000 1.221 127 Y CB -0.967 37.545 38.460 0.086 0.000 1.163 127 Y HN 0.321 8.601 8.280 -0.000 0.000 0.537 128 V N -4.004 116.055 119.914 0.241 0.000 3.188 128 V HA 0.726 4.849 4.120 0.004 0.000 0.305 128 V C -3.007 173.153 176.094 0.110 0.000 1.232 128 V CA -3.125 59.259 62.300 0.140 0.000 1.043 128 V CB 1.807 33.657 31.823 0.046 0.000 1.068 128 V HN -0.189 8.001 8.190 -0.000 0.000 0.439 129 P HA 0.216 4.636 4.420 -0.000 0.000 0.267 129 P C -0.243 177.101 177.300 0.073 0.000 1.200 129 P CA 0.267 63.418 63.100 0.086 0.000 0.772 129 P CB 0.408 32.156 31.700 0.081 0.000 0.855 130 D N 0.895 121.333 120.400 0.064 0.000 2.144 130 D HA -0.195 4.448 4.640 0.004 0.000 0.199 130 D C 1.024 177.354 176.300 0.050 0.000 0.984 130 D CA 1.326 55.357 54.000 0.051 0.000 0.834 130 D CB -0.597 40.228 40.800 0.043 0.000 0.955 130 D HN 0.518 8.888 8.370 -0.000 0.000 0.465 131 D N 0.479 120.909 120.400 0.049 0.000 2.417 131 D HA -0.166 4.477 4.640 0.004 0.000 0.225 131 D C 1.510 177.840 176.300 0.050 0.000 0.983 131 D CA 0.550 54.576 54.000 0.043 0.000 0.949 131 D CB -0.434 40.389 40.800 0.038 0.000 0.879 131 D HN 0.315 8.685 8.370 -0.000 0.000 0.520 132 L N -0.827 120.444 121.223 0.080 0.000 2.354 132 L HA 0.070 4.413 4.340 0.004 0.000 0.212 132 L C 2.046 179.040 176.870 0.206 0.000 1.091 132 L CA -0.062 54.857 54.840 0.131 0.000 0.828 132 L CB -0.217 41.970 42.059 0.213 0.000 0.973 132 L HN 0.091 8.321 8.230 -0.000 0.000 0.461 133 L N 1.781 123.082 121.223 0.130 0.000 1.971 133 L HA -0.121 4.222 4.340 0.004 0.000 0.215 133 L C -0.374 176.549 176.870 0.088 0.000 1.072 133 L CA 2.373 57.265 54.840 0.088 0.000 0.758 133 L CB -1.745 40.316 42.059 0.004 0.000 0.889 133 L HN 0.075 8.305 8.230 -0.000 0.000 0.433 134 P HA -0.168 4.252 4.420 -0.000 0.000 0.215 134 P C 1.992 179.315 177.300 0.037 0.000 1.157 134 P CA 2.087 65.208 63.100 0.034 0.000 0.874 134 P CB -0.160 31.552 31.700 0.020 0.000 0.790 135 V N -1.009 118.919 119.914 0.024 0.000 2.287 135 V HA -0.257 3.866 4.120 0.004 0.000 0.248 135 V C 2.667 178.744 176.094 -0.028 0.000 1.053 135 V CA 1.887 64.168 62.300 -0.031 0.000 1.027 135 V CB -1.712 30.051 31.823 -0.101 0.000 0.646 135 V HN -0.025 8.165 8.190 -0.000 0.000 0.447 136 Y N -0.134 120.164 120.300 -0.004 0.000 2.181 136 Y HA -0.190 4.362 4.550 0.004 0.000 0.288 136 Y C 2.867 178.758 175.900 -0.016 0.000 1.146 136 Y CA 1.891 59.988 58.100 -0.006 0.000 1.164 136 Y CB -0.174 38.274 38.460 -0.020 0.000 0.982 136 Y HN 0.009 8.289 8.280 -0.000 0.000 0.515 137 R N 0.307 120.893 120.500 0.143 0.000 2.096 137 R HA -0.176 4.167 4.340 0.004 0.000 0.235 137 R C 1.491 177.815 176.300 0.040 0.000 1.127 137 R CA 1.975 58.113 56.100 0.063 0.000 0.968 137 R CB -0.041 30.277 30.300 0.029 0.000 0.861 137 R HN 0.467 8.737 8.270 -0.000 0.000 0.440 138 E N -1.322 118.897 120.200 0.032 0.000 2.372 138 E HA 0.033 4.385 4.350 0.004 0.000 0.201 138 E C 1.589 178.195 176.600 0.012 0.000 0.938 138 E CA 0.233 56.643 56.400 0.017 0.000 0.944 138 E CB 0.594 30.299 29.700 0.009 0.000 0.937 138 E HN 0.085 8.445 8.360 -0.000 0.000 0.495 139 K N 0.107 120.510 120.400 0.004 0.000 2.350 139 K HA 0.130 4.452 4.320 0.004 0.000 0.196 139 K C 1.951 178.559 176.600 0.014 0.000 1.084 139 K CA 0.365 56.649 56.287 -0.005 0.000 0.967 139 K CB 0.809 33.288 32.500 -0.034 0.000 0.950 139 K HN -0.052 8.198 8.250 -0.000 0.000 0.512 140 V N 1.240 121.168 119.914 0.023 0.000 2.283 140 V HA -0.146 3.977 4.120 0.004 0.000 0.239 140 V C 2.365 178.514 176.094 0.092 0.000 1.035 140 V CA 1.103 63.450 62.300 0.079 0.000 1.018 140 V CB -0.431 31.439 31.823 0.079 0.000 0.658 140 V HN -0.102 8.088 8.190 -0.000 0.000 0.459 141 V N 0.752 120.714 119.914 0.080 0.000 2.317 141 V HA -0.212 3.911 4.120 0.004 0.000 0.251 141 V C 0.103 176.208 176.094 0.018 0.000 1.065 141 V CA 2.663 64.981 62.300 0.029 0.000 1.049 141 V CB -2.148 29.690 31.823 0.024 0.000 0.651 141 V HN 0.479 8.669 8.190 -0.000 0.000 0.450 142 P HA -0.176 4.244 4.420 -0.000 0.000 0.216 142 P C 1.840 179.163 177.300 0.039 0.000 1.157 142 P CA 1.625 64.743 63.100 0.030 0.000 0.880 142 P CB -0.059 31.658 31.700 0.029 0.000 0.791 143 V N -1.979 117.973 119.914 0.064 0.000 3.623 143 V HA 0.292 4.415 4.120 0.004 0.000 0.271 143 V C 0.677 176.844 176.094 0.122 0.000 1.248 143 V CA 0.163 62.525 62.300 0.103 0.000 1.156 143 V CB -1.327 30.579 31.823 0.138 0.000 0.870 143 V HN -0.021 8.169 8.190 -0.000 0.000 0.453 144 A N -0.258 122.552 122.820 -0.018 0.000 2.354 144 A HA 0.376 4.699 4.320 0.004 0.000 0.269 144 A C 0.762 178.279 177.584 -0.113 0.000 1.109 144 A CA -0.133 51.760 52.037 -0.240 0.000 0.800 144 A CB 0.286 19.054 19.000 -0.388 0.000 1.045 144 A HN 0.435 8.585 8.150 -0.000 0.000 0.489 145 D N 0.650 120.987 120.400 -0.105 0.000 2.327 145 D HA 0.184 4.827 4.640 0.004 0.000 0.205 145 D C -0.060 176.232 176.300 -0.014 0.000 0.989 145 D CA 1.227 55.219 54.000 -0.014 0.000 0.873 145 D CB 0.390 41.209 40.800 0.031 0.000 0.955 145 D HN 0.511 8.881 8.370 -0.000 0.000 0.515 146 I N 1.741 122.268 120.570 -0.071 0.000 2.627 146 I HA 0.249 4.421 4.170 0.004 0.000 0.288 146 I C -0.814 175.253 176.117 -0.084 0.000 1.202 146 I CA -0.774 60.502 61.300 -0.040 0.000 1.050 146 I CB 2.444 40.452 38.000 0.013 0.000 1.264 146 I HN -0.226 7.984 8.210 -0.000 0.000 0.429 147 I N 2.260 122.791 120.570 -0.066 0.000 2.603 147 I HA 0.672 4.845 4.170 0.004 0.000 0.300 147 I C 0.195 176.312 176.117 0.001 0.000 1.017 147 I CA -0.476 60.787 61.300 -0.061 0.000 1.098 147 I CB 2.233 40.183 38.000 -0.083 0.000 1.279 147 I HN 0.596 8.806 8.210 -0.000 0.000 0.437 148 T N 1.512 116.086 114.554 0.033 0.000 3.514 148 T HA 0.458 4.811 4.350 0.004 0.000 0.259 148 T C -2.396 172.329 174.700 0.041 0.000 1.466 148 T CA -1.566 60.601 62.100 0.112 0.000 1.562 148 T CB 0.063 69.072 68.868 0.235 0.000 0.924 148 T HN 0.522 8.762 8.240 -0.000 0.000 0.678 149 P HA 0.249 4.669 4.420 -0.000 0.000 0.276 149 P C -0.478 176.793 177.300 -0.050 0.000 1.252 149 P CA -0.476 62.592 63.100 -0.054 0.000 0.802 149 P CB 1.022 32.673 31.700 -0.081 0.000 1.035 150 N N 0.313 118.983 118.700 -0.049 0.000 2.518 150 N HA -0.006 4.736 4.740 0.004 0.000 0.283 150 N C 1.409 176.918 175.510 -0.002 0.000 1.119 150 N CA -0.398 52.643 53.050 -0.016 0.000 0.983 150 N CB 0.675 39.177 38.487 0.025 0.000 1.139 150 N HN 0.438 8.818 8.380 -0.000 0.000 0.465 151 Q N 2.842 122.651 119.800 0.015 0.000 2.082 151 Q HA -0.274 4.068 4.340 0.004 0.000 0.211 151 Q C 1.476 177.511 176.000 0.058 0.000 1.002 151 Q CA 1.958 57.776 55.803 0.024 0.000 0.868 151 Q CB -0.148 28.613 28.738 0.038 0.000 0.931 151 Q HN 0.773 9.043 8.270 -0.000 0.000 0.414 152 F N 1.482 121.389 119.950 -0.072 0.000 2.027 152 F HA -0.268 4.261 4.527 0.004 0.000 0.297 152 F C 1.978 177.718 175.800 -0.101 0.000 1.129 152 F CA 2.449 60.399 58.000 -0.084 0.000 1.195 152 F CB -0.549 38.387 39.000 -0.106 0.000 0.960 152 F HN 0.207 8.507 8.300 -0.000 0.000 0.485 153 E N 0.316 120.404 120.200 -0.187 0.000 2.070 153 E HA -0.261 4.092 4.350 0.004 0.000 0.197 153 E C 2.369 178.806 176.600 -0.272 0.000 1.004 153 E CA 1.327 57.522 56.400 -0.342 0.000 0.805 153 E CB -0.641 28.930 29.700 -0.216 0.000 0.744 153 E HN 0.522 8.882 8.360 -0.000 0.000 0.451 154 A N 1.641 124.365 122.820 -0.160 0.000 1.892 154 A HA -0.322 4.000 4.320 0.004 0.000 0.218 154 A C 2.001 179.507 177.584 -0.130 0.000 1.188 154 A CA 2.026 53.989 52.037 -0.123 0.000 0.631 154 A CB -0.620 18.333 19.000 -0.079 0.000 0.822 154 A HN 0.252 8.402 8.150 -0.000 0.000 0.447 155 E N -0.791 119.329 120.200 -0.134 0.000 2.023 155 E HA -0.218 4.135 4.350 0.004 0.000 0.196 155 E C 1.966 178.458 176.600 -0.179 0.000 1.003 155 E CA 1.240 57.570 56.400 -0.117 0.000 0.809 155 E CB -0.406 29.243 29.700 -0.084 0.000 0.755 155 E HN 0.438 8.798 8.360 -0.000 0.000 0.449 156 L N 1.065 122.095 121.223 -0.322 0.000 2.064 156 L HA -0.251 4.091 4.340 0.004 0.000 0.216 156 L C 2.188 178.937 176.870 -0.202 0.000 1.077 156 L CA 1.592 56.227 54.840 -0.342 0.000 0.766 156 L CB -0.290 41.435 42.059 -0.555 0.000 0.890 156 L HN 0.137 8.367 8.230 -0.000 0.000 0.435 157 L N -1.723 119.397 121.223 -0.173 0.000 2.007 157 L HA -0.148 4.195 4.340 0.004 0.000 0.205 157 L C 2.253 179.080 176.870 -0.072 0.000 1.073 157 L CA 1.636 56.413 54.840 -0.106 0.000 0.744 157 L CB -1.146 40.855 42.059 -0.097 0.000 0.898 157 L HN 0.376 8.606 8.230 -0.000 0.000 0.435 158 T N -2.324 112.187 114.554 -0.070 0.000 3.228 158 T HA 0.077 4.430 4.350 0.004 0.000 0.261 158 T C 1.483 176.160 174.700 -0.040 0.000 1.171 158 T CA 0.454 62.527 62.100 -0.045 0.000 1.056 158 T CB -0.378 68.466 68.868 -0.040 0.000 0.938 158 T HN 0.576 8.816 8.240 -0.000 0.000 0.539 159 G N 1.408 110.174 108.800 -0.056 0.000 2.186 159 G HA2 -0.326 3.637 3.960 0.004 0.000 0.266 159 G HA3 -0.326 3.637 3.960 0.004 0.000 0.266 159 G C 0.427 175.309 174.900 -0.030 0.000 0.982 159 G CA 0.709 45.782 45.100 -0.046 0.000 0.670 159 G HN 0.674 8.964 8.290 -0.000 0.000 0.533 160 R N -0.898 119.588 120.500 -0.024 0.000 2.936 160 R HA 0.830 5.172 4.340 0.004 0.000 0.218 160 R C -0.116 176.197 176.300 0.021 0.000 1.528 160 R CA -0.678 55.427 56.100 0.008 0.000 1.005 160 R CB 0.794 31.108 30.300 0.024 0.000 2.099 160 R HN 0.114 8.384 8.270 -0.000 0.000 0.527 161 K N 0.876 121.323 120.400 0.078 0.000 2.550 161 K HA 0.315 4.637 4.320 0.004 0.000 0.252 161 K C -1.292 175.441 176.600 0.221 0.000 0.943 161 K CA -0.501 55.855 56.287 0.115 0.000 0.806 161 K CB 1.226 33.783 32.500 0.096 0.000 1.289 161 K HN 0.308 8.558 8.250 -0.000 0.000 0.435 162 I N 4.642 125.299 120.570 0.144 0.000 2.532 162 I HA 0.254 4.426 4.170 0.004 0.000 0.292 162 I C 0.694 176.913 176.117 0.170 0.000 1.014 162 I CA -0.228 61.100 61.300 0.048 0.000 1.340 162 I CB 0.907 38.900 38.000 -0.013 0.000 1.422 162 I HN 0.845 9.055 8.210 -0.000 0.000 0.528 163 H N 1.515 120.588 119.070 0.006 0.000 3.334 163 H HA 0.292 4.851 4.556 0.004 0.000 0.256 163 H C -0.314 175.017 175.328 0.005 0.000 1.162 163 H CA -0.308 55.744 56.048 0.006 0.000 1.030 163 H CB 0.096 29.861 29.762 0.006 0.000 2.151 163 H HN 0.567 8.847 8.280 -0.000 0.000 0.742 164 S N -0.573 115.022 115.700 -0.175 0.000 2.578 164 S HA 0.118 4.590 4.470 0.004 0.000 0.272 164 S C 0.607 175.144 174.600 -0.104 0.000 1.145 164 S CA -0.501 57.629 58.200 -0.118 0.000 0.835 164 S CB 3.008 66.119 63.200 -0.148 0.000 1.104 164 S HN 0.171 8.481 8.310 -0.000 0.000 0.458 165 Q N 0.835 120.599 119.800 -0.059 0.000 2.061 165 Q HA -0.193 4.150 4.340 0.004 0.000 0.204 165 Q C 1.678 177.644 176.000 -0.056 0.000 0.984 165 Q CA 2.208 57.985 55.803 -0.044 0.000 0.846 165 Q CB -0.338 28.384 28.738 -0.027 0.000 0.902 165 Q HN 0.852 9.122 8.270 -0.000 0.000 0.421 166 E N -0.108 120.054 120.200 -0.063 0.000 2.026 166 E HA -0.268 4.084 4.350 0.004 0.000 0.206 166 E C 1.934 178.482 176.600 -0.087 0.000 1.028 166 E CA 1.569 57.932 56.400 -0.061 0.000 0.845 166 E CB -0.033 29.631 29.700 -0.060 0.000 0.772 166 E HN 0.345 8.705 8.360 -0.000 0.000 0.462 167 E N -0.023 120.083 120.200 -0.157 0.000 2.200 167 E HA -0.336 4.016 4.350 0.004 0.000 0.211 167 E C 1.829 178.358 176.600 -0.119 0.000 1.048 167 E CA 1.356 57.632 56.400 -0.207 0.000 0.851 167 E CB -0.479 28.941 29.700 -0.467 0.000 0.747 167 E HN 0.399 8.759 8.360 -0.000 0.000 0.462 168 A N 1.213 123.975 122.820 -0.097 0.000 1.828 168 A HA -0.145 4.178 4.320 0.004 0.000 0.215 168 A C 2.465 180.027 177.584 -0.037 0.000 1.203 168 A CA 1.452 53.455 52.037 -0.057 0.000 0.614 168 A CB -1.015 17.960 19.000 -0.043 0.000 0.844 168 A HN 0.220 8.370 8.150 -0.000 0.000 0.445 169 L N -0.355 120.852 121.223 -0.027 0.000 2.151 169 L HA -0.311 4.032 4.340 0.004 0.000 0.215 169 L C 2.612 179.484 176.870 0.003 0.000 1.084 169 L CA 1.873 56.710 54.840 -0.004 0.000 0.764 169 L CB -0.676 41.382 42.059 -0.001 0.000 0.891 169 L HN 0.557 8.787 8.230 -0.000 0.000 0.435 170 E N -0.578 119.614 120.200 -0.014 0.000 2.015 170 E HA -0.178 4.175 4.350 0.004 0.000 0.191 170 E C 2.250 178.849 176.600 -0.001 0.000 0.991 170 E CA 1.325 57.722 56.400 -0.004 0.000 0.802 170 E CB -0.207 29.482 29.700 -0.018 0.000 0.759 170 E HN 0.244 8.604 8.360 -0.000 0.000 0.447 171 V N 1.578 121.480 119.914 -0.019 0.000 2.370 171 V HA -0.335 3.788 4.120 0.004 0.000 0.252 171 V C 2.344 178.420 176.094 -0.031 0.000 1.068 171 V CA 1.864 64.148 62.300 -0.026 0.000 1.061 171 V CB -0.484 31.316 31.823 -0.039 0.000 0.656 171 V HN 0.322 8.512 8.190 -0.000 0.000 0.455 172 M N -0.572 119.010 119.600 -0.029 0.000 2.117 172 M HA -0.172 4.310 4.480 0.004 0.000 0.262 172 M C 1.982 178.289 176.300 0.012 0.000 1.065 172 M CA 1.834 57.094 55.300 -0.067 0.000 1.114 172 M CB -0.561 32.013 32.600 -0.044 0.000 1.361 172 M HN 0.346 8.636 8.290 -0.000 0.000 0.408 173 D N 0.289 120.753 120.400 0.107 0.000 2.117 173 D HA -0.151 4.492 4.640 0.004 0.000 0.197 173 D C 1.930 178.299 176.300 0.116 0.000 0.987 173 D CA 1.433 55.535 54.000 0.170 0.000 0.829 173 D CB -0.276 40.576 40.800 0.085 0.000 0.961 173 D HN 0.391 8.761 8.370 -0.000 0.000 0.460 174 M N -0.096 119.534 119.600 0.049 0.000 2.117 174 M HA -0.095 4.388 4.480 0.004 0.000 0.262 174 M C 2.282 178.593 176.300 0.019 0.000 1.065 174 M CA 0.971 56.287 55.300 0.027 0.000 1.114 174 M CB -0.231 32.372 32.600 0.005 0.000 1.361 174 M HN -0.005 8.285 8.290 -0.000 0.000 0.408 175 L N -0.943 120.270 121.223 -0.017 0.000 1.994 175 L HA -0.253 4.089 4.340 0.004 0.000 0.208 175 L C 2.702 179.561 176.870 -0.018 0.000 1.071 175 L CA 1.239 56.046 54.840 -0.055 0.000 0.745 175 L CB -1.163 40.818 42.059 -0.130 0.000 0.892 175 L HN 0.326 8.556 8.230 -0.000 0.000 0.431 176 H N -0.441 118.625 119.070 -0.007 0.000 2.267 176 H HA -0.248 4.311 4.556 0.004 0.000 0.291 176 H C 2.626 177.952 175.328 -0.003 0.000 1.094 176 H CA 2.119 58.165 56.048 -0.003 0.000 1.227 176 H CB -0.611 29.151 29.762 -0.001 0.000 1.351 176 H HN 0.370 8.650 8.280 -0.000 0.000 0.483 177 S N 0.475 116.263 115.700 0.148 0.000 2.413 177 S HA -0.219 4.253 4.470 0.004 0.000 0.237 177 S C 2.144 176.773 174.600 0.048 0.000 1.044 177 S CA 1.825 60.069 58.200 0.073 0.000 1.024 177 S CB -0.355 62.875 63.200 0.050 0.000 0.829 177 S HN 0.367 8.677 8.310 -0.000 0.000 0.475 178 M N -0.290 119.334 119.600 0.041 0.000 2.419 178 M HA 0.238 4.721 4.480 0.004 0.000 0.264 178 M C 1.933 178.250 176.300 0.027 0.000 1.082 178 M CA 1.017 56.331 55.300 0.024 0.000 1.119 178 M CB -0.003 32.603 32.600 0.010 0.000 1.398 178 M HN 0.637 8.927 8.290 -0.000 0.000 0.453 179 G N -0.465 108.359 108.800 0.040 0.000 4.455 179 G HA2 -0.022 3.941 3.960 0.004 0.000 0.182 179 G HA3 -0.022 3.941 3.960 0.004 0.000 0.182 179 G C -2.438 172.494 174.900 0.053 0.000 1.631 179 G CA -0.641 44.483 45.100 0.039 0.000 0.878 179 G HN 0.206 8.496 8.290 -0.000 0.000 0.295 180 P HA 0.195 4.615 4.420 -0.000 0.000 0.266 180 P C -0.675 176.732 177.300 0.178 0.000 1.186 180 P CA 0.655 63.777 63.100 0.037 0.000 0.767 180 P CB 0.959 32.632 31.700 -0.045 0.000 0.820 181 D N 0.204 120.715 120.400 0.185 0.000 2.417 181 D HA 0.048 4.691 4.640 0.004 0.000 0.207 181 D C 0.053 176.566 176.300 0.356 0.000 1.075 181 D CA 0.890 55.058 54.000 0.280 0.000 0.851 181 D CB 0.483 41.349 40.800 0.111 0.000 0.976 181 D HN 0.338 8.708 8.370 -0.000 0.000 0.505 182 T N 0.919 115.587 114.554 0.191 0.000 2.809 182 T HA 0.501 4.854 4.350 0.004 0.000 0.284 182 T C -0.328 174.368 174.700 -0.007 0.000 0.992 182 T CA -0.480 61.702 62.100 0.137 0.000 0.957 182 T CB 2.704 71.630 68.868 0.096 0.000 0.942 182 T HN -0.328 7.912 8.240 -0.000 0.000 0.439 183 V N 3.624 123.487 119.914 -0.085 0.000 2.709 183 V HA 0.699 4.822 4.120 0.004 0.000 0.308 183 V C -0.788 175.281 176.094 -0.042 0.000 1.062 183 V CA -0.720 61.484 62.300 -0.161 0.000 0.901 183 V CB 2.266 33.833 31.823 -0.428 0.000 1.003 183 V HN 0.720 8.910 8.190 -0.000 0.000 0.425 184 V N 5.293 125.211 119.914 0.007 0.000 2.623 184 V HA 0.492 4.615 4.120 0.004 0.000 0.304 184 V C -0.825 175.291 176.094 0.036 0.000 1.054 184 V CA -0.511 61.831 62.300 0.070 0.000 0.882 184 V CB 2.161 34.108 31.823 0.206 0.000 1.002 184 V HN 0.627 8.817 8.190 -0.000 0.000 0.424 185 I N 4.480 125.053 120.570 0.006 0.000 2.287 185 I HA 0.175 4.348 4.170 0.004 0.000 0.290 185 I C 1.835 177.913 176.117 -0.065 0.000 1.069 185 I CA -0.024 61.258 61.300 -0.030 0.000 1.237 185 I CB 0.900 38.882 38.000 -0.029 0.000 1.418 185 I HN 0.865 9.075 8.210 -0.000 0.000 0.481 186 T N 1.709 116.175 114.554 -0.147 0.000 2.918 186 T HA -0.054 4.299 4.350 0.004 0.000 0.271 186 T C 0.676 175.242 174.700 -0.224 0.000 1.104 186 T CA 1.007 62.897 62.100 -0.349 0.000 1.114 186 T CB -0.188 68.351 68.868 -0.548 0.000 0.855 186 T HN 0.693 8.933 8.240 -0.000 0.000 0.518 187 S N -1.108 114.523 115.700 -0.115 0.000 2.710 187 S HA 0.542 5.014 4.470 0.004 0.000 0.274 187 S C -0.947 173.636 174.600 -0.028 0.000 1.029 187 S CA -0.517 57.645 58.200 -0.063 0.000 0.864 187 S CB 1.210 64.369 63.200 -0.069 0.000 1.103 187 S HN 1.355 9.665 8.310 -0.000 0.000 0.460 188 S N -0.025 115.670 115.700 -0.008 0.000 2.643 188 S HA 0.479 4.952 4.470 0.004 0.000 0.266 188 S C -0.427 174.181 174.600 0.013 0.000 1.130 188 S CA -0.534 57.670 58.200 0.005 0.000 0.817 188 S CB 0.278 63.480 63.200 0.004 0.000 1.107 188 S HN 0.756 9.066 8.310 -0.000 0.000 0.471 189 N N 0.259 118.970 118.700 0.018 0.000 2.409 189 N HA 0.064 4.807 4.740 0.004 0.000 0.179 189 N C 0.212 175.737 175.510 0.025 0.000 1.032 189 N CA 0.182 53.245 53.050 0.022 0.000 0.898 189 N CB -0.881 37.620 38.487 0.024 0.000 0.971 189 N HN 0.515 8.895 8.380 -0.000 0.000 0.441 190 L N 2.419 123.654 121.223 0.020 0.000 2.972 190 L HA -0.158 4.184 4.340 0.004 0.000 0.312 190 L C 0.496 177.378 176.870 0.021 0.000 1.169 190 L CA 0.364 55.213 54.840 0.016 0.000 0.873 190 L CB -0.608 41.454 42.059 0.006 0.000 1.237 190 L HN 0.181 8.411 8.230 -0.000 0.000 0.510 191 L N 3.822 125.057 121.223 0.019 0.000 2.838 191 L HA -0.033 4.310 4.340 0.004 0.000 0.287 191 L C 1.170 178.047 176.870 0.012 0.000 1.124 191 L CA -0.133 54.719 54.840 0.020 0.000 1.091 191 L CB -1.096 40.972 42.059 0.016 0.000 1.448 191 L HN 0.610 8.840 8.230 -0.000 0.000 0.455 192 S N 3.909 119.622 115.700 0.022 0.000 2.558 192 S HA 0.010 4.482 4.470 0.004 0.000 0.287 192 S C -0.872 173.708 174.600 -0.035 0.000 1.321 192 S CA -0.797 57.404 58.200 0.003 0.000 1.048 192 S CB 0.830 64.050 63.200 0.034 0.000 0.844 192 S HN 0.472 8.782 8.310 -0.000 0.000 0.512 193 P HA -0.107 4.313 4.420 -0.000 0.000 0.220 193 P C 0.019 177.254 177.300 -0.107 0.000 1.144 193 P CA 1.141 64.198 63.100 -0.072 0.000 0.800 193 P CB 0.104 31.759 31.700 -0.075 0.000 0.772 194 R N -1.569 118.820 120.500 -0.185 0.000 2.510 194 R HA 0.600 4.942 4.340 0.004 0.000 0.287 194 R C -0.621 175.510 176.300 -0.283 0.000 1.084 194 R CA -0.601 55.349 56.100 -0.250 0.000 0.934 194 R CB 0.878 30.962 30.300 -0.361 0.000 1.201 194 R HN 0.019 8.289 8.270 -0.000 0.000 0.431 195 G N 1.290 110.077 108.800 -0.021 0.000 2.778 195 G HA2 -0.285 3.677 3.960 0.004 0.000 0.686 195 G HA3 -0.285 3.677 3.960 0.004 0.000 0.686 195 G C 0.123 175.163 174.900 0.234 0.000 1.309 195 G CA -0.032 45.202 45.100 0.223 0.000 0.904 195 G HN 0.624 8.914 8.290 -0.000 0.000 0.593 196 S N 0.054 115.854 115.700 0.168 0.000 2.496 196 S HA 0.032 4.505 4.470 0.004 0.000 0.224 196 S C 1.498 176.156 174.600 0.097 0.000 0.996 196 S CA 1.355 59.619 58.200 0.107 0.000 0.927 196 S CB -0.105 63.130 63.200 0.058 0.000 0.774 196 S HN 0.790 9.100 8.310 -0.000 0.000 0.524 197 D N 0.663 121.139 120.400 0.127 0.000 2.870 197 D HA 0.187 4.829 4.640 0.004 0.000 0.241 197 D C -0.789 175.347 176.300 -0.273 0.000 1.234 197 D CA -0.042 53.912 54.000 -0.077 0.000 0.844 197 D CB -0.537 40.185 40.800 -0.131 0.000 1.051 197 D HN 0.323 8.693 8.370 -0.000 0.000 0.469 198 Y N -0.424 119.860 120.300 -0.027 0.000 2.441 198 Y HA 0.341 4.894 4.550 0.005 0.000 0.334 198 Y C -0.408 175.495 175.900 0.005 0.000 1.061 198 Y CA -1.016 57.092 58.100 0.013 0.000 1.032 198 Y CB 1.663 40.160 38.460 0.062 0.000 1.266 198 Y HN -0.108 8.172 8.280 -0.000 0.000 0.441 199 L N 4.483 125.777 121.223 0.119 0.000 2.307 199 L HA 0.523 4.866 4.340 0.004 0.000 0.282 199 L C -0.290 176.633 176.870 0.087 0.000 1.051 199 L CA -0.533 54.351 54.840 0.072 0.000 0.804 199 L CB 1.449 43.523 42.059 0.025 0.000 1.197 199 L HN 0.624 8.854 8.230 -0.000 0.000 0.431 200 M N 2.957 122.590 119.600 0.056 0.000 2.404 200 M HA 0.678 5.161 4.480 0.004 0.000 0.338 200 M C -0.973 175.335 176.300 0.014 0.000 1.150 200 M CA -0.446 54.880 55.300 0.043 0.000 1.016 200 M CB 1.907 34.527 32.600 0.033 0.000 1.672 200 M HN 0.676 8.966 8.290 -0.000 0.000 0.448 201 A N 5.266 128.095 122.820 0.015 0.000 2.422 201 A HA 0.798 5.120 4.320 0.004 0.000 0.302 201 A C -1.822 175.774 177.584 0.020 0.000 1.041 201 A CA -0.710 51.328 52.037 0.001 0.000 0.708 201 A CB 1.388 20.382 19.000 -0.011 0.000 1.257 201 A HN 0.868 9.018 8.150 -0.000 0.000 0.414 202 L N 1.763 122.996 121.223 0.017 0.000 2.362 202 L HA 0.748 5.091 4.340 0.004 0.000 0.275 202 L C 0.428 177.322 176.870 0.041 0.000 0.998 202 L CA -0.627 54.228 54.840 0.025 0.000 0.820 202 L CB 2.444 44.508 42.059 0.010 0.000 1.270 202 L HN 0.851 9.081 8.230 -0.000 0.000 0.415 203 G N 0.694 109.527 108.800 0.055 0.000 2.626 203 G HA2 0.497 4.460 3.960 0.004 0.000 0.304 203 G HA3 0.497 4.460 3.960 0.004 0.000 0.304 203 G C -1.259 173.685 174.900 0.073 0.000 1.385 203 G CA -0.263 44.879 45.100 0.070 0.000 0.957 203 G HN 0.413 8.703 8.290 -0.000 0.000 0.504 204 S N 1.109 116.860 115.700 0.084 0.000 2.501 204 S HA 0.720 5.193 4.470 0.004 0.000 0.301 204 S C -0.528 174.217 174.600 0.242 0.000 1.096 204 S CA -0.633 57.668 58.200 0.169 0.000 1.063 204 S CB 1.820 65.171 63.200 0.252 0.000 1.042 204 S HN 0.734 9.044 8.310 -0.000 0.000 0.494 205 Q N 2.472 122.398 119.800 0.211 0.000 2.345 205 Q HA 0.511 4.853 4.340 0.004 0.000 0.275 205 Q C -1.382 174.640 176.000 0.036 0.000 1.063 205 Q CA -0.814 55.096 55.803 0.178 0.000 0.819 205 Q CB 1.524 30.328 28.738 0.110 0.000 1.356 205 Q HN 0.770 9.040 8.270 -0.000 0.000 0.418 206 R N 2.241 122.715 120.500 -0.043 0.000 2.502 206 R HA 0.586 4.929 4.340 0.004 0.000 0.300 206 R C -1.619 174.644 176.300 -0.062 0.000 0.984 206 R CA -0.188 55.823 56.100 -0.148 0.000 0.882 206 R CB 2.105 32.168 30.300 -0.396 0.000 1.180 206 R HN 0.603 8.873 8.270 -0.000 0.000 0.444 207 T N 3.455 117.986 114.554 -0.040 0.000 2.887 207 T HA 0.444 4.796 4.350 0.004 0.000 0.288 207 T C -0.716 173.972 174.700 -0.020 0.000 1.021 207 T CA -0.772 61.318 62.100 -0.016 0.000 1.000 207 T CB 1.408 70.277 68.868 0.001 0.000 1.034 207 T HN 0.340 8.580 8.240 -0.000 0.000 0.467 208 R N 2.060 122.552 120.500 -0.013 0.000 2.278 208 R HA 0.570 4.912 4.340 0.004 0.000 0.322 208 R C 0.179 176.476 176.300 -0.006 0.000 1.058 208 R CA -0.357 55.736 56.100 -0.012 0.000 0.991 208 R CB 0.878 31.172 30.300 -0.011 0.000 1.140 208 R HN 0.839 9.109 8.270 -0.000 0.000 0.518 209 A N 4.471 127.288 122.820 -0.006 0.000 2.475 209 A HA 0.152 4.474 4.320 0.004 0.000 0.239 209 A C -1.443 176.140 177.584 -0.002 0.000 1.087 209 A CA -0.689 51.347 52.037 -0.003 0.000 0.779 209 A CB 0.000 18.999 19.000 -0.003 0.000 1.036 209 A HN 0.434 8.584 8.150 -0.000 0.000 0.506 210 P HA 0.031 4.450 4.420 -0.000 0.000 0.245 210 P C -0.150 177.149 177.300 -0.001 0.000 1.212 210 P CA 1.268 64.368 63.100 -0.000 0.000 0.774 210 P CB 0.022 31.723 31.700 0.001 0.000 0.999 211 D N -2.732 117.667 120.400 -0.002 0.000 2.395 211 D HA 0.213 4.856 4.640 0.004 0.000 0.213 211 D C 1.474 177.772 176.300 -0.004 0.000 1.110 211 D CA 0.085 54.083 54.000 -0.002 0.000 0.835 211 D CB -0.436 40.362 40.800 -0.002 0.000 0.965 211 D HN 0.072 8.442 8.370 -0.000 0.000 0.505 212 G N 0.463 109.261 108.800 -0.004 0.000 2.320 212 G HA2 -0.332 3.631 3.960 0.004 0.000 0.242 212 G HA3 -0.332 3.631 3.960 0.004 0.000 0.242 212 G C 0.580 175.475 174.900 -0.008 0.000 1.033 212 G CA 0.272 45.368 45.100 -0.006 0.000 0.620 212 G HN 0.883 9.173 8.290 -0.000 0.000 0.517 213 S N 0.030 115.725 115.700 -0.008 0.000 2.568 213 S HA 0.469 4.942 4.470 0.004 0.000 0.282 213 S C 0.356 174.948 174.600 -0.014 0.000 1.338 213 S CA 0.143 58.337 58.200 -0.010 0.000 1.045 213 S CB 1.835 65.030 63.200 -0.008 0.000 0.873 213 S HN 1.897 10.207 8.310 -0.000 0.000 0.516 214 V N 1.140 121.043 119.914 -0.019 0.000 2.313 214 V HA 0.617 4.739 4.120 0.004 0.000 0.278 214 V C 0.064 176.141 176.094 -0.028 0.000 1.017 214 V CA -1.035 61.249 62.300 -0.028 0.000 0.823 214 V CB 0.713 32.512 31.823 -0.040 0.000 1.010 214 V HN 0.863 9.053 8.190 -0.000 0.000 0.443 215 V N 5.825 125.725 119.914 -0.023 0.000 2.455 215 V HA 0.512 4.634 4.120 0.004 0.000 0.273 215 V C 0.421 176.499 176.094 -0.026 0.000 1.045 215 V CA 0.874 63.163 62.300 -0.018 0.000 0.976 215 V CB 1.189 33.007 31.823 -0.008 0.000 0.993 215 V HN 1.089 9.279 8.190 -0.000 0.000 0.475 216 T N 6.922 121.461 114.554 -0.025 0.000 2.823 216 T HA 0.472 4.824 4.350 0.004 0.000 0.279 216 T C -0.629 174.068 174.700 -0.005 0.000 0.998 216 T CA -0.268 61.815 62.100 -0.029 0.000 0.994 216 T CB 1.382 70.226 68.868 -0.040 0.000 0.960 216 T HN 0.832 9.072 8.240 -0.000 0.000 0.448 217 Q N 2.044 121.850 119.800 0.010 0.000 2.333 217 Q HA 0.551 4.893 4.340 0.004 0.000 0.267 217 Q C -0.692 175.334 176.000 0.043 0.000 1.012 217 Q CA -0.940 54.879 55.803 0.026 0.000 0.824 217 Q CB 1.614 30.373 28.738 0.035 0.000 1.290 217 Q HN 0.229 8.499 8.270 -0.000 0.000 0.449 218 R N 2.894 123.414 120.500 0.034 0.000 2.538 218 R HA 0.575 4.918 4.340 0.004 0.000 0.292 218 R C -1.031 175.286 176.300 0.029 0.000 1.008 218 R CA -0.476 55.648 56.100 0.040 0.000 0.896 218 R CB 1.505 31.824 30.300 0.031 0.000 1.187 218 R HN 0.786 9.056 8.270 -0.000 0.000 0.440 219 I N -1.202 119.389 120.570 0.035 0.000 2.619 219 I HA 0.605 4.778 4.170 0.004 0.000 0.292 219 I C -0.601 175.533 176.117 0.028 0.000 1.100 219 I CA -1.029 60.287 61.300 0.027 0.000 1.043 219 I CB 2.800 40.818 38.000 0.029 0.000 1.239 219 I HN 0.356 8.566 8.210 -0.000 0.000 0.420 220 R N 6.128 126.639 120.500 0.018 0.000 2.711 220 R HA 0.822 5.164 4.340 0.004 0.000 0.284 220 R C -1.837 174.474 176.300 0.019 0.000 0.968 220 R CA -0.813 55.297 56.100 0.018 0.000 0.924 220 R CB 2.296 32.600 30.300 0.008 0.000 1.162 220 R HN 0.933 9.203 8.270 -0.000 0.000 0.465 221 M N 2.092 121.707 119.600 0.026 0.000 2.433 221 M HA 0.322 4.804 4.480 0.004 0.000 0.290 221 M C -1.296 175.032 176.300 0.046 0.000 1.173 221 M CA -0.534 54.785 55.300 0.032 0.000 0.905 221 M CB 3.125 35.751 32.600 0.043 0.000 1.692 221 M HN 0.490 8.780 8.290 -0.000 0.000 0.462 222 E N 3.164 123.400 120.200 0.061 0.000 2.129 222 E HA 0.565 4.918 4.350 0.004 0.000 0.268 222 E C -1.273 175.440 176.600 0.189 0.000 0.900 222 E CA -0.296 56.178 56.400 0.123 0.000 0.755 222 E CB 1.734 31.479 29.700 0.074 0.000 1.117 222 E HN 0.531 8.891 8.360 -0.000 0.000 0.410 223 M N 1.468 121.188 119.600 0.200 0.000 2.537 223 M HA 0.303 4.786 4.480 0.004 0.000 0.324 223 M C -0.393 176.018 176.300 0.184 0.000 1.187 223 M CA -0.963 54.435 55.300 0.164 0.000 0.993 223 M CB 1.324 33.978 32.600 0.090 0.000 1.666 223 M HN 0.441 8.731 8.290 -0.000 0.000 0.461 224 H N 2.446 121.507 119.070 -0.016 0.000 2.800 224 H HA 0.203 4.761 4.556 0.004 0.000 0.291 224 H C -0.582 174.671 175.328 -0.125 0.000 1.076 224 H CA 0.169 56.075 56.048 -0.235 0.000 1.452 224 H CB 0.508 30.185 29.762 -0.142 0.000 1.461 224 H HN 0.417 8.697 8.280 -0.000 0.000 0.488 225 K N 4.032 124.172 120.400 -0.434 0.000 2.401 225 K HA 0.164 4.486 4.320 0.004 0.000 0.278 225 K C -0.832 175.633 176.600 -0.224 0.000 1.018 225 K CA -0.293 55.847 56.287 -0.244 0.000 0.981 225 K CB 0.461 32.834 32.500 -0.211 0.000 0.933 225 K HN 0.340 8.590 8.250 -0.000 0.000 0.477 226 V N 3.659 123.556 119.914 -0.028 0.000 2.532 226 V HA 0.002 4.124 4.120 0.004 0.000 0.295 226 V C 0.413 176.526 176.094 0.031 0.000 1.041 226 V CA -0.552 61.779 62.300 0.052 0.000 0.926 226 V CB 1.538 33.524 31.823 0.271 0.000 0.992 226 V HN 0.838 9.028 8.190 -0.000 0.000 0.457 227 D N 3.537 123.928 120.400 -0.016 0.000 2.911 227 D HA 0.365 5.008 4.640 0.004 0.000 0.233 227 D C 0.073 176.311 176.300 -0.103 0.000 1.134 227 D CA 0.563 54.530 54.000 -0.055 0.000 1.011 227 D CB -0.028 40.741 40.800 -0.051 0.000 1.174 227 D HN 0.738 9.108 8.370 -0.000 0.000 0.440 228 A N -0.365 122.363 122.820 -0.152 0.000 2.566 228 A HA 0.459 4.781 4.320 0.004 0.000 0.290 228 A C -1.390 175.906 177.584 -0.480 0.000 1.071 228 A CA -0.629 51.178 52.037 -0.384 0.000 0.658 228 A CB 1.294 19.912 19.000 -0.637 0.000 1.285 228 A HN -0.038 8.112 8.150 -0.000 0.000 0.427 229 V N 1.696 121.292 119.914 -0.530 0.000 2.313 229 V HA 0.500 4.623 4.120 0.004 0.000 0.278 229 V C -0.900 174.918 176.094 -0.461 0.000 1.017 229 V CA -0.056 62.032 62.300 -0.353 0.000 0.823 229 V CB -0.103 31.601 31.823 -0.199 0.000 1.010 229 V HN 0.609 8.799 8.190 -0.000 0.000 0.443 230 F N 3.548 123.470 119.950 -0.046 0.000 2.411 230 F HA 0.750 5.279 4.527 0.004 0.000 0.324 230 F C 0.277 176.023 175.800 -0.090 0.000 1.086 230 F CA -0.909 57.066 58.000 -0.042 0.000 1.028 230 F CB 1.379 40.366 39.000 -0.022 0.000 1.284 230 F HN 0.128 8.428 8.300 -0.000 0.000 0.501 231 V N 0.029 119.981 119.914 0.063 0.000 2.686 231 V HA 0.638 4.761 4.120 0.004 0.000 0.306 231 V C 0.237 176.289 176.094 -0.071 0.000 1.065 231 V CA -0.221 61.979 62.300 -0.167 0.000 0.894 231 V CB 1.094 32.488 31.823 -0.715 0.000 1.004 231 V HN 0.995 9.185 8.190 -0.000 0.000 0.424 232 G N 3.360 112.137 108.800 -0.038 0.000 2.231 232 G HA2 -0.283 3.679 3.960 0.004 0.000 0.206 232 G HA3 -0.283 3.679 3.960 0.004 0.000 0.206 232 G C 0.970 175.910 174.900 0.067 0.000 0.996 232 G CA 0.930 46.043 45.100 0.023 0.000 0.645 232 G HN 0.994 9.284 8.290 -0.000 0.000 0.498 233 T N -0.386 114.207 114.554 0.065 0.000 2.607 233 T HA 0.028 4.380 4.350 0.004 0.000 0.267 233 T C 2.645 177.397 174.700 0.088 0.000 1.049 233 T CA 2.428 64.560 62.100 0.054 0.000 1.162 233 T CB -1.208 67.671 68.868 0.017 0.000 0.863 233 T HN 1.408 9.648 8.240 -0.000 0.000 0.424 234 G N 2.282 111.123 108.800 0.069 0.000 2.599 234 G HA2 -0.333 3.630 3.960 0.004 0.000 0.219 234 G HA3 -0.333 3.630 3.960 0.004 0.000 0.219 234 G C 1.375 176.384 174.900 0.181 0.000 1.193 234 G CA 1.336 46.492 45.100 0.094 0.000 0.778 234 G HN 0.594 8.884 8.290 -0.000 0.000 0.589 235 D N 0.214 120.696 120.400 0.138 0.000 2.133 235 D HA -0.134 4.509 4.640 0.004 0.000 0.195 235 D C 2.429 178.809 176.300 0.133 0.000 0.997 235 D CA 1.198 55.276 54.000 0.130 0.000 0.840 235 D CB -0.193 40.664 40.800 0.095 0.000 0.947 235 D HN 0.263 8.633 8.370 -0.000 0.000 0.452 236 L N 0.519 121.827 121.223 0.142 0.000 2.017 236 L HA -0.139 4.204 4.340 0.004 0.000 0.208 236 L C 2.131 179.093 176.870 0.153 0.000 1.073 236 L CA 1.337 56.257 54.840 0.132 0.000 0.745 236 L CB -0.941 41.193 42.059 0.125 0.000 0.894 236 L HN -0.097 8.133 8.230 -0.000 0.000 0.432 237 F N 0.549 120.520 119.950 0.034 0.000 2.025 237 F HA -0.295 4.235 4.527 0.004 0.000 0.297 237 F C 2.400 178.217 175.800 0.028 0.000 1.132 237 F CA 2.209 60.233 58.000 0.040 0.000 1.191 237 F CB -1.009 38.014 39.000 0.037 0.000 0.963 237 F HN 0.186 8.486 8.300 -0.000 0.000 0.481 238 A N 0.486 123.401 122.820 0.157 0.000 1.869 238 A HA -0.219 4.104 4.320 0.004 0.000 0.218 238 A C 2.451 179.964 177.584 -0.118 0.000 1.203 238 A CA 2.776 54.816 52.037 0.005 0.000 0.638 238 A CB -1.786 17.276 19.000 0.104 0.000 0.831 238 A HN 0.653 8.803 8.150 -0.000 0.000 0.450 239 A N -0.749 122.027 122.820 -0.074 0.000 1.884 239 A HA -0.248 4.075 4.320 0.004 0.000 0.219 239 A C 2.336 179.760 177.584 -0.268 0.000 1.197 239 A CA 2.296 54.241 52.037 -0.154 0.000 0.637 239 A CB -0.643 18.310 19.000 -0.078 0.000 0.827 239 A HN 0.571 8.721 8.150 -0.000 0.000 0.450 240 M N -1.596 117.876 119.600 -0.213 0.000 2.132 240 M HA -0.105 4.378 4.480 0.004 0.000 0.263 240 M C 2.250 178.353 176.300 -0.328 0.000 1.065 240 M CA 1.402 56.536 55.300 -0.276 0.000 1.122 240 M CB -0.470 32.089 32.600 -0.068 0.000 1.365 240 M HN 0.471 8.761 8.290 -0.000 0.000 0.411 241 L N 1.055 122.080 121.223 -0.331 0.000 2.013 241 L HA -0.200 4.143 4.340 0.004 0.000 0.212 241 L C 2.227 178.966 176.870 -0.219 0.000 1.073 241 L CA 1.674 56.333 54.840 -0.302 0.000 0.753 241 L CB -0.782 40.988 42.059 -0.483 0.000 0.890 241 L HN 0.290 8.520 8.230 -0.000 0.000 0.432 242 L N -1.017 120.032 121.223 -0.290 0.000 2.189 242 L HA -0.201 4.141 4.340 0.004 0.000 0.214 242 L C 2.252 178.807 176.870 -0.524 0.000 1.097 242 L CA 1.569 56.193 54.840 -0.360 0.000 0.764 242 L CB -0.338 41.442 42.059 -0.465 0.000 0.900 242 L HN 0.377 8.607 8.230 -0.000 0.000 0.436 243 A N -1.054 121.406 122.820 -0.601 0.000 1.935 243 A HA -0.116 4.207 4.320 0.004 0.000 0.214 243 A C 1.769 179.146 177.584 -0.346 0.000 1.178 243 A CA 0.833 52.486 52.037 -0.639 0.000 0.640 243 A CB -0.821 17.713 19.000 -0.777 0.000 0.825 243 A HN 0.656 8.806 8.150 -0.000 0.000 0.447 244 W N 0.632 121.935 121.300 0.003 0.000 2.443 244 W HA -0.094 4.568 4.660 0.003 0.000 0.296 244 W C 2.834 179.407 176.519 0.090 0.000 1.202 244 W CA 1.433 58.823 57.345 0.074 0.000 1.312 244 W CB -0.419 29.086 29.460 0.075 0.000 1.120 244 W HN 0.431 8.611 8.180 -0.000 0.000 0.536 245 T N -2.482 112.236 114.554 0.272 0.000 2.833 245 T HA -0.346 4.006 4.350 0.004 0.000 0.269 245 T C 1.477 176.295 174.700 0.197 0.000 1.054 245 T CA 1.794 64.023 62.100 0.215 0.000 1.135 245 T CB -0.871 68.090 68.868 0.155 0.000 0.869 245 T HN 0.320 8.560 8.240 -0.000 0.000 0.466 246 H N 1.285 120.428 119.070 0.123 0.000 2.421 246 H HA 0.085 4.643 4.556 0.004 0.000 0.298 246 H C 2.303 177.701 175.328 0.116 0.000 1.087 246 H CA 1.864 58.027 56.048 0.191 0.000 1.330 246 H CB -0.141 29.741 29.762 0.200 0.000 1.388 246 H HN 0.489 8.769 8.280 -0.000 0.000 0.526 247 K N -0.738 119.697 120.400 0.057 0.000 2.044 247 K HA -0.035 4.287 4.320 0.004 0.000 0.204 247 K C 0.049 176.432 176.600 -0.363 0.000 1.045 247 K CA 0.776 56.953 56.287 -0.183 0.000 0.951 247 K CB 0.357 32.777 32.500 -0.134 0.000 0.738 247 K HN 0.397 8.647 8.250 -0.000 0.000 0.443 248 H N 1.049 120.208 119.070 0.149 0.000 2.486 248 H HA 0.171 4.729 4.556 0.004 0.000 0.239 248 H C -2.088 173.289 175.328 0.081 0.000 1.480 248 H CA -2.124 53.981 56.048 0.094 0.000 1.324 248 H CB 1.149 30.967 29.762 0.094 0.000 1.486 248 H HN 0.295 8.575 8.280 -0.000 0.000 0.544 249 P HA -0.128 4.292 4.420 -0.000 0.000 0.219 249 P C 0.387 177.744 177.300 0.095 0.000 1.146 249 P CA 0.951 64.107 63.100 0.093 0.000 0.808 249 P CB 0.626 32.353 31.700 0.045 0.000 0.779 250 N N 0.038 118.797 118.700 0.098 0.000 2.541 250 N HA 0.090 4.833 4.740 0.004 0.000 0.297 250 N C -0.089 175.467 175.510 0.076 0.000 1.503 250 N CA -0.032 53.063 53.050 0.075 0.000 0.919 250 N CB -0.009 38.510 38.487 0.053 0.000 1.305 250 N HN 0.039 8.419 8.380 -0.000 0.000 0.501 251 N N 1.257 120.016 118.700 0.099 0.000 2.636 251 N HA 0.073 4.816 4.740 0.004 0.000 0.287 251 N C 0.958 176.503 175.510 0.058 0.000 1.817 251 N CA -0.220 52.864 53.050 0.057 0.000 0.842 251 N CB 0.501 39.005 38.487 0.028 0.000 1.353 251 N HN 0.077 8.457 8.380 -0.000 0.000 0.500 252 L N 1.389 122.652 121.223 0.066 0.000 2.064 252 L HA -0.192 4.151 4.340 0.004 0.000 0.216 252 L C 2.275 179.171 176.870 0.043 0.000 1.077 252 L CA 2.080 56.962 54.840 0.069 0.000 0.766 252 L CB -0.250 41.851 42.059 0.071 0.000 0.890 252 L HN 0.324 8.554 8.230 -0.000 0.000 0.435 253 K N -1.088 119.321 120.400 0.016 0.000 1.987 253 K HA -0.199 4.124 4.320 0.004 0.000 0.216 253 K C 1.895 178.470 176.600 -0.042 0.000 1.051 253 K CA 2.521 58.803 56.287 -0.009 0.000 0.942 253 K CB -0.391 32.094 32.500 -0.025 0.000 0.722 253 K HN 0.264 8.514 8.250 -0.000 0.000 0.444 254 V N 1.401 121.262 119.914 -0.088 0.000 2.255 254 V HA -0.295 3.828 4.120 0.004 0.000 0.247 254 V C 2.536 178.550 176.094 -0.133 0.000 1.051 254 V CA 2.111 64.303 62.300 -0.179 0.000 1.018 254 V CB -0.967 30.637 31.823 -0.365 0.000 0.641 254 V HN 0.596 8.786 8.190 -0.000 0.000 0.445 255 A N -0.922 121.902 122.820 0.007 0.000 1.892 255 A HA -0.316 4.006 4.320 0.004 0.000 0.218 255 A C 2.370 179.988 177.584 0.056 0.000 1.188 255 A CA 2.545 54.668 52.037 0.144 0.000 0.631 255 A CB -1.302 17.829 19.000 0.218 0.000 0.822 255 A HN 0.608 8.758 8.150 -0.000 0.000 0.447 256 C N -0.787 118.536 119.300 0.039 0.000 2.429 256 C HA -0.091 4.372 4.460 0.004 0.000 0.277 256 C C 2.675 177.676 174.990 0.019 0.000 1.262 256 C CA 1.103 60.153 59.018 0.053 0.000 1.733 256 C CB -1.365 26.426 27.740 0.084 0.000 2.010 256 C HN 0.676 8.906 8.230 -0.000 0.000 0.483 257 E N 0.881 121.055 120.200 -0.045 0.000 2.038 257 E HA -0.219 4.134 4.350 0.004 0.000 0.195 257 E C 2.181 178.698 176.600 -0.139 0.000 1.000 257 E CA 1.213 57.564 56.400 -0.082 0.000 0.803 257 E CB -0.202 29.431 29.700 -0.111 0.000 0.750 257 E HN 0.628 8.988 8.360 -0.000 0.000 0.448 258 K N 0.379 120.613 120.400 -0.277 0.000 1.987 258 K HA -0.156 4.167 4.320 0.004 0.000 0.216 258 K C 2.408 178.900 176.600 -0.179 0.000 1.051 258 K CA 1.956 57.979 56.287 -0.440 0.000 0.942 258 K CB -0.533 31.252 32.500 -1.191 0.000 0.722 258 K HN 0.067 8.317 8.250 -0.000 0.000 0.444 259 T N 1.493 116.024 114.554 -0.038 0.000 2.536 259 T HA -0.199 4.153 4.350 0.004 0.000 0.263 259 T C 2.044 176.833 174.700 0.149 0.000 1.115 259 T CA 2.183 64.380 62.100 0.161 0.000 1.180 259 T CB -0.574 68.313 68.868 0.032 0.000 0.864 259 T HN -0.011 8.229 8.240 -0.000 0.000 0.419 260 V N 1.447 121.463 119.914 0.169 0.000 2.453 260 V HA -0.202 3.921 4.120 0.004 0.000 0.252 260 V C 2.666 178.787 176.094 0.045 0.000 1.068 260 V CA 1.975 64.382 62.300 0.178 0.000 1.070 260 V CB -0.978 30.941 31.823 0.159 0.000 0.664 260 V HN 0.446 8.636 8.190 -0.000 0.000 0.461 261 S N 0.432 116.103 115.700 -0.049 0.000 2.348 261 S HA -0.156 4.316 4.470 0.004 0.000 0.221 261 S C 2.332 176.769 174.600 -0.271 0.000 1.033 261 S CA 1.413 59.489 58.200 -0.206 0.000 1.010 261 S CB -0.652 62.417 63.200 -0.218 0.000 0.891 261 S HN 0.665 8.975 8.310 -0.000 0.000 0.442 262 A N 1.621 124.400 122.820 -0.067 0.000 1.903 262 A HA -0.239 4.084 4.320 0.004 0.000 0.219 262 A C 2.138 179.757 177.584 0.058 0.000 1.191 262 A CA 2.184 54.263 52.037 0.070 0.000 0.638 262 A CB -0.791 18.322 19.000 0.188 0.000 0.823 262 A HN 0.389 8.539 8.150 -0.000 0.000 0.451 263 M N -0.895 118.751 119.600 0.076 0.000 2.088 263 M HA -0.206 4.276 4.480 0.004 0.000 0.256 263 M C 2.084 178.391 176.300 0.011 0.000 1.071 263 M CA 2.305 57.647 55.300 0.069 0.000 1.097 263 M CB -0.951 31.729 32.600 0.132 0.000 1.315 263 M HN 0.699 8.989 8.290 -0.000 0.000 0.406 264 H N -1.152 117.858 119.070 -0.099 0.000 2.289 264 H HA -0.205 4.354 4.556 0.004 0.000 0.296 264 H C 2.026 177.351 175.328 -0.006 0.000 1.091 264 H CA 2.608 58.602 56.048 -0.090 0.000 1.274 264 H CB -0.414 29.270 29.762 -0.131 0.000 1.364 264 H HN 0.615 8.895 8.280 -0.000 0.000 0.490 265 H N -0.471 118.618 119.070 0.032 0.000 2.254 265 H HA -0.154 4.405 4.556 0.005 0.000 0.294 265 H C 2.730 177.998 175.328 -0.100 0.000 1.071 265 H CA 1.412 57.441 56.048 -0.032 0.000 1.228 265 H CB -0.128 29.669 29.762 0.058 0.000 1.358 265 H HN 0.087 8.367 8.280 -0.000 0.000 0.495 266 V N 1.170 121.137 119.914 0.088 0.000 2.252 266 V HA -0.343 3.779 4.120 0.004 0.000 0.255 266 V C 2.599 178.625 176.094 -0.114 0.000 1.071 266 V CA 2.137 64.429 62.300 -0.014 0.000 1.050 266 V CB -0.752 31.059 31.823 -0.021 0.000 0.654 266 V HN 0.321 8.511 8.190 -0.000 0.000 0.448 267 L N -0.818 120.282 121.223 -0.205 0.000 2.012 267 L HA -0.220 4.122 4.340 0.004 0.000 0.210 267 L C 2.823 179.538 176.870 -0.258 0.000 1.073 267 L CA 1.597 56.210 54.840 -0.378 0.000 0.748 267 L CB -0.665 41.099 42.059 -0.491 0.000 0.891 267 L HN 0.373 8.603 8.230 -0.000 0.000 0.431 268 Q N -0.305 119.340 119.800 -0.258 0.000 2.096 268 Q HA -0.268 4.075 4.340 0.004 0.000 0.204 268 Q C 2.238 178.187 176.000 -0.085 0.000 0.982 268 Q CA 1.649 57.336 55.803 -0.193 0.000 0.850 268 Q CB -0.403 28.160 28.738 -0.292 0.000 0.901 268 Q HN 0.450 8.720 8.270 -0.000 0.000 0.422 269 R N 0.093 120.550 120.500 -0.071 0.000 2.091 269 R HA -0.133 4.210 4.340 0.004 0.000 0.238 269 R C 2.134 178.426 176.300 -0.013 0.000 1.136 269 R CA 1.906 57.985 56.100 -0.035 0.000 0.959 269 R CB -0.123 30.158 30.300 -0.032 0.000 0.856 269 R HN 0.204 8.474 8.270 -0.000 0.000 0.437 270 T N 1.432 115.975 114.554 -0.019 0.000 2.614 270 T HA -0.175 4.177 4.350 0.004 0.000 0.263 270 T C 1.726 176.494 174.700 0.113 0.000 1.055 270 T CA 1.448 63.576 62.100 0.046 0.000 1.162 270 T CB -0.342 68.554 68.868 0.046 0.000 0.863 270 T HN 0.217 8.457 8.240 -0.000 0.000 0.414 271 I N 1.396 122.060 120.570 0.157 0.000 2.335 271 I HA -0.130 4.043 4.170 0.004 0.000 0.251 271 I C 2.216 178.380 176.117 0.077 0.000 1.129 271 I CA 1.420 62.823 61.300 0.171 0.000 1.402 271 I CB -0.363 37.755 38.000 0.196 0.000 1.069 271 I HN 0.138 8.348 8.210 -0.000 0.000 0.424 272 K N -0.512 119.915 120.400 0.046 0.000 1.973 272 K HA -0.241 4.082 4.320 0.004 0.000 0.212 272 K C 2.440 179.056 176.600 0.026 0.000 1.047 272 K CA 2.053 58.356 56.287 0.026 0.000 0.937 272 K CB -0.800 31.707 32.500 0.012 0.000 0.721 272 K HN 0.504 8.754 8.250 -0.000 0.000 0.440 273 C N 0.721 120.037 119.300 0.027 0.000 2.413 273 C HA -0.068 4.395 4.460 0.004 0.000 0.276 273 C C 2.803 177.810 174.990 0.029 0.000 1.248 273 C CA 1.104 60.136 59.018 0.024 0.000 1.742 273 C CB -1.162 26.592 27.740 0.024 0.000 2.017 273 C HN 0.647 8.877 8.230 -0.000 0.000 0.481 274 A N 0.337 123.183 122.820 0.043 0.000 1.869 274 A HA -0.282 4.040 4.320 0.004 0.000 0.218 274 A C 2.215 179.808 177.584 0.016 0.000 1.203 274 A CA 2.233 54.291 52.037 0.036 0.000 0.638 274 A CB -0.793 18.239 19.000 0.053 0.000 0.831 274 A HN 0.752 8.902 8.150 -0.000 0.000 0.450 275 K N -0.597 119.812 120.400 0.016 0.000 2.280 275 K HA -0.054 4.269 4.320 0.004 0.000 0.202 275 K C 2.172 178.775 176.600 0.005 0.000 1.047 275 K CA 0.850 57.140 56.287 0.005 0.000 0.942 275 K CB -0.279 32.226 32.500 0.008 0.000 0.739 275 K HN 0.512 8.762 8.250 -0.000 0.000 0.457 276 A N 1.770 124.596 122.820 0.010 0.000 1.897 276 A HA -0.149 4.173 4.320 0.004 0.000 0.215 276 A C 1.759 179.347 177.584 0.007 0.000 1.181 276 A CA 1.267 53.309 52.037 0.009 0.000 0.620 276 A CB -0.134 18.873 19.000 0.011 0.000 0.821 276 A HN 0.179 8.329 8.150 -0.000 0.000 0.443 277 K N 0.492 120.897 120.400 0.009 0.000 2.288 277 K HA -0.050 4.272 4.320 0.004 0.000 0.201 277 K C 2.064 178.666 176.600 0.002 0.000 1.048 277 K CA 1.323 57.614 56.287 0.008 0.000 0.956 277 K CB -0.052 32.456 32.500 0.013 0.000 0.746 277 K HN 0.644 8.894 8.250 -0.000 0.000 0.461 278 S N -0.250 115.449 115.700 -0.002 0.000 2.456 278 S HA 0.192 4.665 4.470 0.004 0.000 0.224 278 S C 0.972 175.568 174.600 -0.008 0.000 1.035 278 S CA 0.102 58.296 58.200 -0.009 0.000 0.940 278 S CB 0.139 63.328 63.200 -0.018 0.000 0.799 278 S HN 0.371 8.681 8.310 -0.000 0.000 0.508 279 G N 1.669 110.466 108.800 -0.005 0.000 2.690 279 G HA2 -0.058 3.905 3.960 0.004 0.000 0.686 279 G HA3 -0.058 3.905 3.960 0.004 0.000 0.686 279 G C -0.942 173.955 174.900 -0.006 0.000 1.277 279 G CA -0.618 44.479 45.100 -0.004 0.000 0.799 279 G HN 0.619 8.909 8.290 -0.000 0.000 0.613 280 E N 0.098 120.295 120.200 -0.004 0.000 2.413 280 E HA 0.413 4.766 4.350 0.004 0.000 0.263 280 E C 1.328 177.924 176.600 -0.007 0.000 1.015 280 E CA 0.168 56.566 56.400 -0.004 0.000 0.916 280 E CB 0.401 30.100 29.700 -0.002 0.000 0.947 280 E HN 2.363 10.723 8.360 -0.000 0.000 0.440 281 G N 1.201 109.996 108.800 -0.009 0.000 2.305 281 G HA2 -0.239 3.724 3.960 0.004 0.000 0.287 281 G HA3 -0.239 3.724 3.960 0.004 0.000 0.287 281 G C -0.205 174.687 174.900 -0.015 0.000 1.036 281 G CA 0.371 45.465 45.100 -0.011 0.000 0.887 281 G HN 0.385 8.675 8.290 -0.000 0.000 0.505 282 V N -0.471 119.433 119.914 -0.018 0.000 2.777 282 V HA 0.473 4.596 4.120 0.004 0.000 0.306 282 V C -0.173 175.904 176.094 -0.029 0.000 1.112 282 V CA -1.650 60.637 62.300 -0.021 0.000 0.917 282 V CB 2.092 33.905 31.823 -0.017 0.000 1.018 282 V HN 0.168 8.358 8.190 -0.000 0.000 0.426 283 K N 3.918 124.295 120.400 -0.039 0.000 2.258 283 K HA 0.457 4.780 4.320 0.004 0.000 0.284 283 K C -2.540 174.023 176.600 -0.062 0.000 1.051 283 K CA -2.006 54.249 56.287 -0.054 0.000 0.923 283 K CB 1.529 33.990 32.500 -0.065 0.000 1.046 283 K HN 0.371 8.621 8.250 -0.000 0.000 0.474 284 P HA -0.047 4.373 4.420 -0.000 0.000 0.264 284 P C -0.290 176.950 177.300 -0.100 0.000 1.183 284 P CA 0.217 63.274 63.100 -0.072 0.000 0.763 284 P CB 0.507 32.164 31.700 -0.073 0.000 0.807 285 S N 4.294 119.939 115.700 -0.091 0.000 2.652 285 S HA 0.344 4.817 4.470 0.004 0.000 0.270 285 S C -1.493 172.997 174.600 -0.184 0.000 1.243 285 S CA -1.141 56.984 58.200 -0.126 0.000 0.999 285 S CB 0.533 63.674 63.200 -0.097 0.000 0.973 285 S HN 0.288 8.598 8.310 -0.000 0.000 0.544 286 P HA -0.184 4.236 4.420 -0.000 0.000 0.216 286 P C 1.472 178.507 177.300 -0.442 0.000 1.150 286 P CA 2.036 64.880 63.100 -0.427 0.000 0.843 286 P CB -0.375 30.898 31.700 -0.711 0.000 0.787 287 A N 0.417 122.991 122.820 -0.411 0.000 1.902 287 A HA -0.212 4.111 4.320 0.004 0.000 0.217 287 A C 2.241 179.850 177.584 0.043 0.000 1.181 287 A CA 1.534 53.569 52.037 -0.003 0.000 0.623 287 A CB -1.371 17.728 19.000 0.164 0.000 0.818 287 A HN 0.264 8.414 8.150 -0.000 0.000 0.443 288 Q N -0.772 119.020 119.800 -0.012 0.000 2.472 288 Q HA 0.169 4.512 4.340 0.004 0.000 0.208 288 Q C 1.097 177.116 176.000 0.031 0.000 0.958 288 Q CA 0.402 56.214 55.803 0.015 0.000 0.932 288 Q CB -0.069 28.665 28.738 -0.007 0.000 1.007 288 Q HN 0.626 8.896 8.270 -0.000 0.000 0.508 289 L N 0.446 121.681 121.223 0.019 0.000 2.640 289 L HA 0.118 4.461 4.340 0.004 0.000 0.230 289 L C 0.318 177.308 176.870 0.201 0.000 1.123 289 L CA -0.251 54.632 54.840 0.072 0.000 0.900 289 L CB 0.365 42.375 42.059 -0.082 0.000 1.146 289 L HN 0.075 8.305 8.230 -0.000 0.000 0.484 290 E N 1.727 122.042 120.200 0.191 0.000 2.481 290 E HA 0.033 4.386 4.350 0.004 0.000 0.263 290 E C 0.012 176.751 176.600 0.232 0.000 0.992 290 E CA 0.288 56.842 56.400 0.257 0.000 0.938 290 E CB 0.804 30.660 29.700 0.259 0.000 0.933 290 E HN 0.220 8.580 8.360 -0.000 0.000 0.453 291 L N 3.223 124.587 121.223 0.234 0.000 2.485 291 L HA 0.034 4.376 4.340 0.004 0.000 0.275 291 L C 1.245 178.086 176.870 -0.048 0.000 1.207 291 L CA 0.361 55.252 54.840 0.085 0.000 0.855 291 L CB 0.126 42.212 42.059 0.044 0.000 1.114 291 L HN 0.182 8.412 8.230 -0.000 0.000 0.485 292 R N 2.773 123.214 120.500 -0.100 0.000 3.171 292 R HA 0.102 4.445 4.340 0.004 0.000 0.241 292 R C 0.513 176.651 176.300 -0.270 0.000 1.421 292 R CA -0.485 55.519 56.100 -0.159 0.000 1.444 292 R CB 0.576 30.833 30.300 -0.071 0.000 1.247 292 R HN 0.636 8.906 8.270 -0.000 0.000 0.636 293 M N 1.685 120.940 119.600 -0.576 0.000 2.218 293 M HA -0.183 4.300 4.480 0.004 0.000 0.262 293 M C 1.915 177.962 176.300 -0.421 0.000 1.081 293 M CA 1.945 56.878 55.300 -0.611 0.000 1.100 293 M CB -0.495 31.352 32.600 -1.255 0.000 1.258 293 M HN 0.242 8.532 8.290 -0.000 0.000 0.438 294 V N 0.462 120.011 119.914 -0.607 0.000 2.257 294 V HA -0.397 3.726 4.120 0.004 0.000 0.257 294 V C 2.267 178.293 176.094 -0.113 0.000 1.077 294 V CA 2.511 64.569 62.300 -0.403 0.000 1.063 294 V CB -1.688 29.956 31.823 -0.298 0.000 0.664 294 V HN 0.592 8.782 8.190 -0.000 0.000 0.450 295 Q N 0.483 120.215 119.800 -0.114 0.000 2.297 295 Q HA -0.103 4.240 4.340 0.004 0.000 0.208 295 Q C 2.093 178.088 176.000 -0.008 0.000 0.981 295 Q CA 1.684 57.460 55.803 -0.045 0.000 0.876 295 Q CB -0.423 28.284 28.738 -0.052 0.000 0.921 295 Q HN 0.713 8.983 8.270 -0.000 0.000 0.446 296 S N -0.246 115.452 115.700 -0.003 0.000 2.577 296 S HA 0.108 4.580 4.470 0.004 0.000 0.219 296 S C 1.183 175.856 174.600 0.120 0.000 0.962 296 S CA -0.329 57.900 58.200 0.047 0.000 0.921 296 S CB 0.204 63.425 63.200 0.033 0.000 0.789 296 S HN 0.282 8.592 8.310 -0.000 0.000 0.497 297 K N 2.483 122.990 120.400 0.177 0.000 2.015 297 K HA -0.240 4.082 4.320 0.004 0.000 0.220 297 K C 1.661 178.341 176.600 0.133 0.000 1.055 297 K CA 1.459 57.896 56.287 0.251 0.000 0.951 297 K CB -0.056 32.610 32.500 0.277 0.000 0.725 297 K HN 0.040 8.290 8.250 -0.000 0.000 0.449 298 K N 0.808 121.266 120.400 0.097 0.000 2.063 298 K HA -0.151 4.171 4.320 0.004 0.000 0.208 298 K C 1.828 178.485 176.600 0.095 0.000 1.048 298 K CA 1.622 57.955 56.287 0.076 0.000 0.928 298 K CB -0.514 32.016 32.500 0.050 0.000 0.713 298 K HN 0.341 8.591 8.250 -0.000 0.000 0.442 299 D N 0.715 121.175 120.400 0.099 0.000 2.178 299 D HA -0.078 4.564 4.640 0.004 0.000 0.201 299 D C 1.997 178.421 176.300 0.206 0.000 0.980 299 D CA 0.675 54.764 54.000 0.149 0.000 0.842 299 D CB -0.130 40.760 40.800 0.150 0.000 0.948 299 D HN 0.193 8.563 8.370 -0.000 0.000 0.472 300 I N 0.915 121.594 120.570 0.180 0.000 2.252 300 I HA -0.197 3.976 4.170 0.004 0.000 0.245 300 I C 2.156 178.408 176.117 0.225 0.000 1.102 300 I CA 0.943 62.361 61.300 0.197 0.000 1.385 300 I CB -0.164 37.926 38.000 0.149 0.000 1.064 300 I HN -0.012 8.198 8.210 -0.000 0.000 0.414 301 E N 0.121 120.418 120.200 0.162 0.000 2.077 301 E HA -0.107 4.246 4.350 0.004 0.000 0.193 301 E C 0.419 177.176 176.600 0.261 0.000 0.989 301 E CA 0.984 57.479 56.400 0.159 0.000 0.800 301 E CB 0.050 29.802 29.700 0.087 0.000 0.746 301 E HN 0.204 8.564 8.360 -0.000 0.000 0.452 302 S N 1.046 116.876 115.700 0.217 0.000 2.356 302 S HA 0.176 4.649 4.470 0.004 0.000 0.171 302 S C -2.631 172.059 174.600 0.149 0.000 1.399 302 S CA -0.962 57.345 58.200 0.179 0.000 1.225 302 S CB 1.484 64.754 63.200 0.116 0.000 1.271 302 S HN 0.058 8.368 8.310 -0.000 0.000 0.427 303 P HA 0.280 4.700 4.420 -0.000 0.000 0.281 303 P C -0.277 177.113 177.300 0.149 0.000 1.252 303 P CA -0.273 62.953 63.100 0.210 0.000 0.778 303 P CB 0.755 32.550 31.700 0.159 0.000 0.895 304 E N 2.840 123.230 120.200 0.316 0.000 2.392 304 E HA 0.121 4.474 4.350 0.004 0.000 0.264 304 E C -0.494 176.169 176.600 0.105 0.000 1.024 304 E CA -0.227 56.286 56.400 0.188 0.000 0.903 304 E CB -0.065 29.754 29.700 0.197 0.000 0.963 304 E HN 0.226 8.586 8.360 -0.000 0.000 0.432 305 I N 5.344 125.914 120.570 -0.000 0.000 2.421 305 I HA -0.006 4.166 4.170 0.004 0.000 0.291 305 I C 0.908 176.991 176.117 -0.057 0.000 1.089 305 I CA 0.249 61.511 61.300 -0.064 0.000 1.354 305 I CB 0.637 38.586 38.000 -0.084 0.000 1.413 305 I HN 0.490 8.700 8.210 -0.000 0.000 0.513 306 V N 5.085 124.931 119.914 -0.114 0.000 3.528 306 V HA 0.360 4.483 4.120 0.004 0.000 0.294 306 V C 0.166 176.155 176.094 -0.174 0.000 1.404 306 V CA -0.118 62.095 62.300 -0.146 0.000 1.065 306 V CB 0.082 31.770 31.823 -0.225 0.000 0.904 306 V HN 0.419 8.609 8.190 -0.000 0.000 0.435 307 V N -2.106 117.731 119.914 -0.130 0.000 2.577 307 V HA 0.627 4.750 4.120 0.004 0.000 0.303 307 V C -0.988 175.069 176.094 -0.061 0.000 1.042 307 V CA -0.508 61.741 62.300 -0.085 0.000 0.872 307 V CB 1.878 33.665 31.823 -0.060 0.000 0.998 307 V HN 0.274 8.464 8.190 -0.000 0.000 0.423 308 Q N 3.073 122.846 119.800 -0.045 0.000 2.347 308 Q HA 0.662 5.005 4.340 0.004 0.000 0.262 308 Q C 0.108 176.092 176.000 -0.027 0.000 0.980 308 Q CA -0.317 55.462 55.803 -0.041 0.000 0.867 308 Q CB 1.970 30.684 28.738 -0.040 0.000 1.242 308 Q HN 1.150 9.420 8.270 -0.000 0.000 0.453 309 A N 2.715 125.520 122.820 -0.025 0.000 2.440 309 A HA 0.343 4.666 4.320 0.004 0.000 0.251 309 A C 0.278 177.854 177.584 -0.014 0.000 1.089 309 A CA -0.212 51.818 52.037 -0.011 0.000 0.779 309 A CB 0.166 19.162 19.000 -0.006 0.000 1.022 309 A HN 0.676 8.826 8.150 -0.000 0.000 0.492 310 T N 0.252 114.801 114.554 -0.008 0.000 2.799 310 T HA 0.521 4.873 4.350 0.004 0.000 0.286 310 T C -0.207 174.490 174.700 -0.005 0.000 0.973 310 T CA -0.701 61.392 62.100 -0.011 0.000 1.035 310 T CB 1.015 69.875 68.868 -0.013 0.000 0.932 310 T HN 0.427 8.667 8.240 -0.000 0.000 0.469 311 V N 5.032 124.942 119.914 -0.007 0.000 2.406 311 V HA 0.307 4.430 4.120 0.004 0.000 0.272 311 V C 0.539 176.631 176.094 -0.002 0.000 1.043 311 V CA -0.701 61.597 62.300 -0.003 0.000 0.915 311 V CB 0.172 31.991 31.823 -0.005 0.000 0.988 311 V HN 0.795 8.985 8.190 -0.000 0.000 0.466 312 L N 0.000 121.224 121.223 0.002 0.000 2.949 312 L HA 0.000 4.343 4.340 0.004 0.000 0.249 312 L CA 0.000 54.840 54.840 0.001 0.000 0.813 312 L CB 0.000 42.061 42.059 0.004 0.000 0.961 312 L HN 0.000 8.230 8.230 -0.000 0.000 0.502