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 2heg_1_A DATA FIRST_RESID 2 DATA SEQUENCE SPSPLNPGTN VARLAEQAPI HWVSVAQIEN SLAGRPPMAV GFXIDDTVLF DATA SEQUENCE SSPGFWRGKK TFSPESEDYL KNPVFWEKMN NGWDEFSIPK EVARQLIDMH DATA SEQUENCE VRRGDAIFFV TGRSPTKTET VSKTLADNFH IPATNMNPVI FAGDKPGQNT DATA SEQUENCE KSQWLQDKNI RIFYGDSDND ITAARDVGAR GIRILRASNS TYKPLPQAGA DATA SEQUENCE FGEEVIVNSE Y 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 2 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 2 S C 0.000 174.603 174.600 0.006 0.000 1.055 2 S CA 0.000 58.203 58.200 0.005 0.000 1.107 2 S CB 0.000 63.203 63.200 0.006 0.000 0.593 3 P HA 0.737 5.157 4.420 -0.000 0.000 0.274 3 P C -0.651 176.652 177.300 0.004 0.000 1.231 3 P CA -0.357 62.745 63.100 0.004 0.000 0.790 3 P CB 1.254 32.957 31.700 0.004 0.000 0.951 4 S N 0.277 115.979 115.700 0.003 0.000 2.607 4 S HA 0.640 5.110 4.470 0.001 0.000 0.273 4 S C -3.004 171.597 174.600 0.003 0.000 1.148 4 S CA -1.196 57.006 58.200 0.003 0.000 0.833 4 S CB 0.255 63.457 63.200 0.003 0.000 1.130 4 S HN 0.340 8.650 8.310 -0.000 0.000 0.470 5 P HA 0.233 4.653 4.420 -0.000 0.000 0.266 5 P C 0.795 178.096 177.300 0.002 0.000 1.195 5 P CA -0.590 62.511 63.100 0.002 0.000 0.768 5 P CB 0.329 32.030 31.700 0.002 0.000 0.838 6 L N 2.120 123.344 121.223 0.001 0.000 2.042 6 L HA -0.074 4.266 4.340 0.001 0.000 0.210 6 L C 0.327 177.197 176.870 0.000 0.000 1.076 6 L CA 1.859 56.699 54.840 0.001 0.000 0.749 6 L CB -0.342 41.717 42.059 0.000 0.000 0.893 6 L HN 0.355 8.585 8.230 -0.000 0.000 0.432 7 N N 0.036 118.737 118.700 0.001 0.000 2.804 7 N HA 0.265 5.006 4.740 0.001 0.000 0.251 7 N C -1.755 173.755 175.510 0.001 0.000 1.250 7 N CA -0.654 52.397 53.050 0.000 0.000 0.820 7 N CB 1.009 39.496 38.487 0.000 0.000 1.156 7 N HN 0.238 8.618 8.380 -0.000 0.000 0.512 8 P HA 0.042 4.462 4.420 -0.000 0.000 0.221 8 P C 0.821 178.122 177.300 0.002 0.000 1.150 8 P CA 0.734 63.835 63.100 0.002 0.000 0.800 8 P CB 0.549 32.250 31.700 0.002 0.000 0.787 9 G N -0.926 107.875 108.800 0.001 0.000 2.804 9 G HA2 -0.055 3.906 3.960 0.001 0.000 0.230 9 G HA3 -0.055 3.906 3.960 0.001 0.000 0.230 9 G C -0.440 174.461 174.900 0.002 0.000 1.386 9 G CA -0.039 45.062 45.100 0.001 0.000 0.875 9 G HN 0.631 8.921 8.290 -0.000 0.000 0.557 10 T N -1.157 113.399 114.554 0.002 0.000 2.653 10 T HA 0.643 4.993 4.350 0.001 0.000 0.306 10 T C -0.865 173.837 174.700 0.003 0.000 1.426 10 T CA 0.661 62.763 62.100 0.003 0.000 1.008 10 T CB 1.319 70.189 68.868 0.003 0.000 1.692 10 T HN 2.183 10.423 8.240 -0.000 0.000 0.483 11 N N -0.884 117.818 118.700 0.004 0.000 2.825 11 N HA 0.447 5.188 4.740 0.001 0.000 0.253 11 N C 0.107 175.619 175.510 0.004 0.000 1.426 11 N CA -0.574 52.478 53.050 0.004 0.000 0.851 11 N CB 1.101 39.590 38.487 0.004 0.000 1.470 11 N HN 0.306 8.686 8.380 -0.000 0.000 0.517 12 V N -0.117 119.800 119.914 0.004 0.000 3.041 12 V HA 0.062 4.182 4.120 0.001 0.000 0.260 12 V C 1.990 178.088 176.094 0.006 0.000 1.105 12 V CA 1.973 64.276 62.300 0.004 0.000 1.125 12 V CB -1.136 30.689 31.823 0.003 0.000 0.730 12 V HN 0.837 9.027 8.190 -0.000 0.000 0.479 13 A N 0.280 123.104 122.820 0.007 0.000 1.873 13 A HA -0.202 4.118 4.320 0.001 0.000 0.215 13 A C 2.292 179.882 177.584 0.010 0.000 1.186 13 A CA 1.795 53.837 52.037 0.008 0.000 0.616 13 A CB -0.513 18.492 19.000 0.008 0.000 0.823 13 A HN 0.542 8.692 8.150 -0.000 0.000 0.442 14 R N -0.530 119.976 120.500 0.010 0.000 2.081 14 R HA -0.044 4.297 4.340 0.001 0.000 0.235 14 R C 2.066 178.374 176.300 0.012 0.000 1.131 14 R CA 1.454 57.560 56.100 0.011 0.000 0.960 14 R CB -0.565 29.740 30.300 0.009 0.000 0.856 14 R HN 0.500 8.770 8.270 -0.000 0.000 0.436 15 L N -0.014 121.214 121.223 0.009 0.000 2.083 15 L HA -0.139 4.202 4.340 0.001 0.000 0.209 15 L C 2.370 179.246 176.870 0.009 0.000 1.083 15 L CA 1.246 56.090 54.840 0.007 0.000 0.752 15 L CB -0.355 41.706 42.059 0.004 0.000 0.899 15 L HN 0.250 8.480 8.230 -0.000 0.000 0.433 16 A N -1.239 121.588 122.820 0.011 0.000 2.238 16 A HA -0.012 4.309 4.320 0.001 0.000 0.210 16 A C 0.992 178.589 177.584 0.021 0.000 1.179 16 A CA -0.206 51.839 52.037 0.013 0.000 0.827 16 A CB -0.256 18.750 19.000 0.011 0.000 0.856 16 A HN 0.326 8.476 8.150 -0.000 0.000 0.488 17 E N 1.217 121.431 120.200 0.023 0.000 2.415 17 E HA 0.092 4.443 4.350 0.001 0.000 0.263 17 E C -0.655 175.973 176.600 0.046 0.000 0.995 17 E CA 0.144 56.562 56.400 0.031 0.000 0.915 17 E CB 0.287 30.003 29.700 0.027 0.000 0.951 17 E HN 0.310 8.670 8.360 -0.000 0.000 0.449 18 Q N 1.735 121.570 119.800 0.058 0.000 2.340 18 Q HA 0.422 4.762 4.340 0.001 0.000 0.268 18 Q C -0.820 175.234 176.000 0.090 0.000 1.031 18 Q CA -0.721 55.138 55.803 0.093 0.000 0.804 18 Q CB 2.043 30.846 28.738 0.108 0.000 1.286 18 Q HN 0.623 8.893 8.270 -0.000 0.000 0.448 19 A N 4.012 126.900 122.820 0.113 0.000 2.425 19 A HA 0.400 4.720 4.320 0.001 0.000 0.249 19 A C -1.818 175.809 177.584 0.070 0.000 1.084 19 A CA -0.916 51.167 52.037 0.075 0.000 0.781 19 A CB -0.308 18.733 19.000 0.068 0.000 1.019 19 A HN 0.421 8.571 8.150 -0.000 0.000 0.490 20 P HA 0.329 4.749 4.420 -0.000 0.000 0.252 20 P C -0.947 176.327 177.300 -0.044 0.000 1.727 20 P CA 0.554 63.657 63.100 0.006 0.000 1.134 20 P CB -0.240 31.456 31.700 -0.007 0.000 1.876 21 I N 1.555 122.081 120.570 -0.072 0.000 2.569 21 I HA 0.221 4.392 4.170 0.001 0.000 0.296 21 I C 0.718 176.712 176.117 -0.204 0.000 1.028 21 I CA -1.036 60.107 61.300 -0.262 0.000 1.082 21 I CB 2.198 39.840 38.000 -0.598 0.000 1.264 21 I HN 0.293 8.503 8.210 -0.000 0.000 0.429 22 H N 5.857 124.758 119.070 -0.281 0.000 3.118 22 H HA 0.150 4.705 4.556 -0.002 0.000 0.266 22 H C -1.152 174.081 175.328 -0.158 0.000 1.465 22 H CA -0.648 55.315 56.048 -0.142 0.000 1.460 22 H CB 0.266 29.977 29.762 -0.086 0.000 1.661 22 H HN 0.455 8.735 8.280 -0.000 0.000 0.516 23 W N 5.052 126.446 121.300 0.157 0.000 2.218 23 W HA 0.296 4.962 4.660 0.010 0.000 0.326 23 W C -0.229 176.301 176.519 0.019 0.000 1.276 23 W CA -0.436 56.940 57.345 0.051 0.000 1.210 23 W CB 0.950 30.442 29.460 0.053 0.000 1.143 23 W HN 0.269 8.449 8.180 -0.000 0.000 0.563 24 V N 0.141 120.196 119.914 0.235 0.000 3.078 24 V HA 0.799 4.920 4.120 0.001 0.000 0.311 24 V C -0.244 175.924 176.094 0.123 0.000 1.138 24 V CA -1.168 61.200 62.300 0.113 0.000 1.007 24 V CB 1.364 33.172 31.823 -0.024 0.000 1.045 24 V HN 0.535 8.725 8.190 -0.000 0.000 0.432 25 S N 0.964 116.712 115.700 0.081 0.000 2.681 25 S HA 0.614 5.085 4.470 0.001 0.000 0.299 25 S C 0.829 175.456 174.600 0.044 0.000 1.113 25 S CA -0.093 58.140 58.200 0.055 0.000 1.013 25 S CB 1.505 64.728 63.200 0.039 0.000 1.076 25 S HN 1.062 9.372 8.310 -0.000 0.000 0.534 26 V N 1.521 121.452 119.914 0.027 0.000 2.332 26 V HA -0.191 3.930 4.120 0.001 0.000 0.248 26 V C 2.985 179.085 176.094 0.011 0.000 1.055 26 V CA 2.485 64.794 62.300 0.016 0.000 1.038 26 V CB -1.744 30.075 31.823 -0.006 0.000 0.651 26 V HN 1.018 9.208 8.190 -0.000 0.000 0.450 27 A N -0.848 121.979 122.820 0.012 0.000 1.908 27 A HA -0.304 4.017 4.320 0.001 0.000 0.218 27 A C 2.187 179.781 177.584 0.018 0.000 1.181 27 A CA 2.054 54.098 52.037 0.011 0.000 0.627 27 A CB -0.475 18.532 19.000 0.013 0.000 0.818 27 A HN 0.640 8.790 8.150 -0.000 0.000 0.445 28 Q N -0.604 119.214 119.800 0.030 0.000 2.119 28 Q HA -0.074 4.266 4.340 0.001 0.000 0.201 28 Q C 2.020 178.041 176.000 0.035 0.000 0.972 28 Q CA 1.436 57.262 55.803 0.038 0.000 0.847 28 Q CB -0.306 28.464 28.738 0.052 0.000 0.903 28 Q HN 0.754 9.024 8.270 -0.000 0.000 0.433 29 I N 0.650 121.242 120.570 0.037 0.000 2.179 29 I HA -0.296 3.874 4.170 0.001 0.000 0.242 29 I C 2.468 178.599 176.117 0.024 0.000 1.088 29 I CA 1.342 62.669 61.300 0.045 0.000 1.357 29 I CB -0.283 37.771 38.000 0.091 0.000 1.051 29 I HN 0.282 8.492 8.210 -0.000 0.000 0.409 30 E N 1.250 121.449 120.200 -0.003 0.000 2.085 30 E HA -0.299 4.051 4.350 0.001 0.000 0.194 30 E C 2.085 178.683 176.600 -0.003 0.000 0.994 30 E CA 1.561 57.944 56.400 -0.028 0.000 0.801 30 E CB -0.165 29.511 29.700 -0.039 0.000 0.743 30 E HN 0.404 8.764 8.360 -0.000 0.000 0.453 31 N N 0.122 118.827 118.700 0.009 0.000 2.166 31 N HA -0.177 4.564 4.740 0.001 0.000 0.186 31 N C 1.934 177.456 175.510 0.021 0.000 1.019 31 N CA 1.693 54.752 53.050 0.015 0.000 0.856 31 N CB -0.131 38.369 38.487 0.020 0.000 0.993 31 N HN 0.223 8.603 8.380 -0.000 0.000 0.426 32 S N 0.300 116.015 115.700 0.026 0.000 2.442 32 S HA -0.040 4.431 4.470 0.001 0.000 0.236 32 S C 1.859 176.475 174.600 0.027 0.000 1.007 32 S CA 0.564 58.782 58.200 0.030 0.000 0.965 32 S CB -0.329 62.892 63.200 0.035 0.000 0.773 32 S HN 0.371 8.681 8.310 -0.000 0.000 0.504 33 L N 1.125 122.364 121.223 0.026 0.000 2.640 33 L HA 0.434 4.775 4.340 0.001 0.000 0.230 33 L C 1.146 178.030 176.870 0.024 0.000 1.123 33 L CA -0.179 54.679 54.840 0.030 0.000 0.900 33 L CB -0.467 41.616 42.059 0.040 0.000 1.146 33 L HN 0.294 8.524 8.230 -0.000 0.000 0.484 34 A N 0.569 123.401 122.820 0.018 0.000 2.566 34 A HA 0.356 4.676 4.320 0.001 0.000 0.245 34 A C 1.499 179.094 177.584 0.018 0.000 1.056 34 A CA 0.917 52.963 52.037 0.016 0.000 0.757 34 A CB -0.307 18.701 19.000 0.014 0.000 0.979 34 A HN 0.623 8.773 8.150 -0.000 0.000 0.508 35 G N 2.099 110.910 108.800 0.019 0.000 2.225 35 G HA2 -0.233 3.727 3.960 0.001 0.000 0.254 35 G HA3 -0.233 3.727 3.960 0.001 0.000 0.254 35 G C 0.497 175.410 174.900 0.022 0.000 0.988 35 G CA 0.297 45.409 45.100 0.019 0.000 0.625 35 G HN 0.848 9.138 8.290 -0.000 0.000 0.527 36 R N 1.755 122.271 120.500 0.027 0.000 2.401 36 R HA 0.311 4.651 4.340 0.001 0.000 0.299 36 R C -1.808 174.514 176.300 0.037 0.000 1.064 36 R CA -0.922 55.197 56.100 0.031 0.000 1.000 36 R CB 0.391 30.713 30.300 0.037 0.000 0.973 36 R HN 0.334 8.604 8.270 -0.000 0.000 0.438 37 P HA 0.158 4.578 4.420 -0.000 0.000 0.271 37 P C -2.485 174.845 177.300 0.050 0.000 1.244 37 P CA -1.375 61.747 63.100 0.037 0.000 0.793 37 P CB -0.477 31.242 31.700 0.031 0.000 0.984 38 P HA 0.032 4.452 4.420 -0.000 0.000 0.263 38 P C -0.077 177.263 177.300 0.067 0.000 1.175 38 P CA 0.969 64.110 63.100 0.068 0.000 0.761 38 P CB 0.025 31.761 31.700 0.061 0.000 0.794 39 M N 0.810 120.459 119.600 0.082 0.000 2.716 39 M HA 0.814 5.295 4.480 0.001 0.000 0.278 39 M C -1.411 174.944 176.300 0.093 0.000 1.281 39 M CA -1.390 53.953 55.300 0.072 0.000 0.814 39 M CB 2.070 34.703 32.600 0.054 0.000 1.719 39 M HN 0.168 8.458 8.290 -0.000 0.000 0.457 40 A N 1.686 124.564 122.820 0.097 0.000 2.328 40 A HA 0.682 5.002 4.320 0.001 0.000 0.284 40 A C -0.213 177.416 177.584 0.075 0.000 1.160 40 A CA -0.486 51.651 52.037 0.168 0.000 0.818 40 A CB 0.270 19.384 19.000 0.190 0.000 1.087 40 A HN 1.214 9.364 8.150 -0.000 0.000 0.504 41 V N 0.174 120.132 119.914 0.073 0.000 3.074 41 V HA 1.029 5.150 4.120 0.001 0.000 0.314 41 V C 0.093 176.196 176.094 0.015 0.000 1.117 41 V CA -0.084 62.162 62.300 -0.089 0.000 1.014 41 V CB 1.656 33.238 31.823 -0.401 0.000 1.057 41 V HN 1.460 9.650 8.190 -0.000 0.000 0.438 42 G N 0.760 109.520 108.800 -0.067 0.000 2.612 42 G HA2 0.788 4.748 3.960 0.001 0.000 0.298 42 G HA3 0.788 4.748 3.960 0.001 0.000 0.298 42 G C -1.833 172.908 174.900 -0.266 0.000 1.336 42 G CA -0.678 44.499 45.100 0.129 0.000 0.953 42 G HN 0.666 8.956 8.290 -0.000 0.000 0.482 46 D N 3.614 124.124 120.400 0.183 0.000 2.371 46 D HA 0.102 4.742 4.640 0.001 0.000 0.256 46 D C -0.233 176.163 176.300 0.160 0.000 1.193 46 D CA 0.788 54.895 54.000 0.178 0.000 0.881 46 D CB 0.839 41.728 40.800 0.148 0.000 1.143 46 D HN 0.269 8.639 8.370 -0.000 0.000 0.473 47 D N 1.233 121.737 120.400 0.172 0.000 3.079 47 D HA -0.157 4.484 4.640 0.001 0.000 0.214 47 D C 0.902 177.311 176.300 0.181 0.000 1.145 47 D CA 1.321 55.440 54.000 0.197 0.000 0.958 47 D CB -0.810 40.100 40.800 0.182 0.000 1.117 47 D HN 0.405 8.775 8.370 -0.000 0.000 0.416 48 T N -1.526 113.130 114.554 0.169 0.000 3.151 48 T HA 0.113 4.463 4.350 0.001 0.000 0.239 48 T C 1.929 176.715 174.700 0.143 0.000 0.979 48 T CA 1.096 63.285 62.100 0.149 0.000 1.194 48 T CB 0.473 69.423 68.868 0.137 0.000 0.982 48 T HN 0.151 8.391 8.240 -0.000 0.000 0.428 49 V N -1.260 118.740 119.914 0.143 0.000 3.379 49 V HA 0.532 4.653 4.120 0.001 0.000 0.249 49 V C 0.243 176.497 176.094 0.268 0.000 1.184 49 V CA 0.057 62.413 62.300 0.094 0.000 1.106 49 V CB -0.151 31.581 31.823 -0.151 0.000 0.826 49 V HN 0.219 8.409 8.190 -0.000 0.000 0.465 50 L N 0.711 122.083 121.223 0.248 0.000 2.385 50 L HA 0.520 4.860 4.340 0.001 0.000 0.273 50 L C -1.002 176.052 176.870 0.307 0.000 0.990 50 L CA -0.729 54.279 54.840 0.279 0.000 0.821 50 L CB 2.353 44.553 42.059 0.235 0.000 1.279 50 L HN 0.218 8.448 8.230 -0.000 0.000 0.412 51 F N 2.547 122.608 119.950 0.185 0.000 2.509 51 F HA 0.114 4.641 4.527 0.001 0.000 0.350 51 F C 1.174 177.109 175.800 0.226 0.000 1.220 51 F CA -0.251 57.859 58.000 0.185 0.000 1.151 51 F CB 0.637 39.728 39.000 0.152 0.000 1.379 51 F HN 0.513 8.813 8.300 -0.000 0.000 0.610 52 S N 0.668 116.371 115.700 0.004 0.000 2.557 52 S HA 0.001 4.472 4.470 0.001 0.000 0.223 52 S C 1.831 176.550 174.600 0.198 0.000 0.969 52 S CA 0.223 58.541 58.200 0.197 0.000 0.927 52 S CB -0.031 63.425 63.200 0.425 0.000 0.806 52 S HN 0.518 8.828 8.310 -0.000 0.000 0.489 53 S N 3.611 119.132 115.700 -0.298 0.000 2.407 53 S HA -0.043 4.428 4.470 0.001 0.000 0.235 53 S C -0.788 173.873 174.600 0.101 0.000 1.036 53 S CA 1.675 59.777 58.200 -0.163 0.000 1.013 53 S CB -1.284 61.565 63.200 -0.584 0.000 0.820 53 S HN 0.503 8.813 8.310 -0.000 0.000 0.476 54 P HA -0.086 4.335 4.420 -0.000 0.000 0.215 54 P C 1.714 179.052 177.300 0.063 0.000 1.157 54 P CA 1.440 64.608 63.100 0.114 0.000 0.874 54 P CB -0.437 31.337 31.700 0.123 0.000 0.790 55 G N -1.740 107.138 108.800 0.131 0.000 2.408 55 G HA2 -0.224 3.736 3.960 0.001 0.000 0.217 55 G HA3 -0.224 3.736 3.960 0.001 0.000 0.217 55 G C 1.225 176.284 174.900 0.264 0.000 1.150 55 G CA 0.321 45.500 45.100 0.132 0.000 0.776 55 G HN 0.166 8.456 8.290 -0.000 0.000 0.542 56 F N -0.622 119.539 119.950 0.351 0.000 2.186 56 F HA 0.086 4.615 4.527 0.003 0.000 0.299 56 F C 2.387 178.245 175.800 0.097 0.000 1.090 56 F CA 0.759 58.976 58.000 0.361 0.000 1.307 56 F CB -0.236 38.954 39.000 0.318 0.000 1.019 56 F HN 0.255 8.555 8.300 -0.000 0.000 0.489 57 W N 1.631 122.969 121.300 0.064 0.000 2.355 57 W HA -0.238 4.425 4.660 0.005 0.000 0.309 57 W C 2.575 178.959 176.519 -0.226 0.000 1.206 57 W CA 1.640 58.922 57.345 -0.105 0.000 1.284 57 W CB -0.471 28.941 29.460 -0.079 0.000 1.145 57 W HN -0.018 8.162 8.180 -0.000 0.000 0.502 58 R N 0.610 120.914 120.500 -0.327 0.000 2.081 58 R HA -0.120 4.221 4.340 0.001 0.000 0.235 58 R C 2.499 178.544 176.300 -0.425 0.000 1.131 58 R CA 2.215 57.965 56.100 -0.584 0.000 0.960 58 R CB -1.067 28.721 30.300 -0.853 0.000 0.856 58 R HN 0.217 8.487 8.270 -0.000 0.000 0.436 59 G N 0.901 109.644 108.800 -0.095 0.000 2.421 59 G HA2 -0.329 3.632 3.960 0.001 0.000 0.216 59 G HA3 -0.329 3.632 3.960 0.001 0.000 0.216 59 G C 1.366 175.945 174.900 -0.535 0.000 1.171 59 G CA 0.975 46.167 45.100 0.154 0.000 0.775 59 G HN 0.364 8.654 8.290 -0.000 0.000 0.543 60 K N 0.534 120.241 120.400 -1.155 0.000 2.002 60 K HA -0.089 4.232 4.320 0.001 0.000 0.209 60 K C 2.518 178.716 176.600 -0.671 0.000 1.048 60 K CA 1.460 57.012 56.287 -1.225 0.000 0.930 60 K CB -0.189 31.714 32.500 -0.995 0.000 0.714 60 K HN 0.209 8.459 8.250 -0.000 0.000 0.438 61 K N -0.339 119.614 120.400 -0.744 0.000 2.063 61 K HA -0.114 4.207 4.320 0.001 0.000 0.208 61 K C 2.121 178.442 176.600 -0.464 0.000 1.048 61 K CA 1.997 57.898 56.287 -0.643 0.000 0.928 61 K CB -0.144 31.869 32.500 -0.812 0.000 0.713 61 K HN 0.237 8.487 8.250 -0.000 0.000 0.442 62 T N 0.229 114.488 114.554 -0.492 0.000 2.812 62 T HA -0.042 4.309 4.350 0.001 0.000 0.264 62 T C 1.379 175.731 174.700 -0.580 0.000 1.042 62 T CA 1.196 62.944 62.100 -0.587 0.000 1.140 62 T CB -0.092 68.289 68.868 -0.811 0.000 0.870 62 T HN 0.084 8.324 8.240 -0.000 0.000 0.445 63 F N 1.104 120.976 119.950 -0.131 0.000 2.694 63 F HA 0.302 4.829 4.527 0.000 0.000 0.292 63 F C 1.166 176.928 175.800 -0.062 0.000 1.121 63 F CA -0.347 57.618 58.000 -0.059 0.000 1.352 63 F CB 0.518 39.521 39.000 0.005 0.000 1.107 63 F HN 0.050 8.350 8.300 -0.000 0.000 0.597 64 S N -0.782 114.933 115.700 0.026 0.000 2.708 64 S HA 0.257 4.728 4.470 0.001 0.000 0.141 64 S C -2.369 172.185 174.600 -0.077 0.000 1.349 64 S CA -0.888 57.322 58.200 0.016 0.000 1.206 64 S CB 0.550 63.819 63.200 0.115 0.000 1.603 64 S HN -0.169 8.141 8.310 -0.000 0.000 0.415 65 P HA -0.157 4.263 4.420 -0.000 0.000 0.217 65 P C 0.755 178.008 177.300 -0.078 0.000 1.148 65 P CA 1.553 64.560 63.100 -0.154 0.000 0.828 65 P CB 0.028 31.642 31.700 -0.144 0.000 0.783 66 E N -0.396 119.785 120.200 -0.031 0.000 2.501 66 E HA 0.185 4.535 4.350 0.001 0.000 0.200 66 E C 0.608 177.227 176.600 0.032 0.000 1.016 66 E CA -0.027 56.375 56.400 0.004 0.000 0.921 66 E CB 0.203 29.906 29.700 0.005 0.000 1.034 66 E HN 0.256 8.616 8.360 -0.000 0.000 0.468 67 S N 0.014 115.742 115.700 0.047 0.000 2.752 67 S HA 0.341 4.812 4.470 0.001 0.000 0.284 67 S C -0.011 174.675 174.600 0.143 0.000 1.189 67 S CA -0.762 57.486 58.200 0.080 0.000 0.835 67 S CB 1.599 64.841 63.200 0.069 0.000 1.192 67 S HN -0.096 8.214 8.310 -0.000 0.000 0.506 68 E N 0.396 120.680 120.200 0.141 0.000 2.465 68 E HA 0.169 4.520 4.350 0.001 0.000 0.195 68 E C -0.078 176.557 176.600 0.057 0.000 1.028 68 E CA 0.073 56.568 56.400 0.158 0.000 0.899 68 E CB -0.154 29.597 29.700 0.085 0.000 1.032 68 E HN 0.548 8.908 8.360 -0.000 0.000 0.468 69 D N 0.455 120.914 120.400 0.099 0.000 2.218 69 D HA -0.180 4.460 4.640 0.001 0.000 0.204 69 D C 1.814 178.122 176.300 0.013 0.000 0.976 69 D CA 0.757 54.788 54.000 0.051 0.000 0.853 69 D CB -0.368 40.473 40.800 0.069 0.000 0.939 69 D HN 0.503 8.873 8.370 -0.000 0.000 0.481 70 Y N 0.079 120.304 120.300 -0.125 0.000 2.256 70 Y HA -0.110 4.440 4.550 0.000 0.000 0.288 70 Y C 1.824 177.489 175.900 -0.392 0.000 1.155 70 Y CA 0.779 58.707 58.100 -0.288 0.000 1.203 70 Y CB -0.813 37.388 38.460 -0.431 0.000 0.980 70 Y HN -0.074 8.206 8.280 -0.000 0.000 0.530 71 L N 0.517 121.203 121.223 -0.894 0.000 2.551 71 L HA -0.040 4.301 4.340 0.001 0.000 0.228 71 L C 1.374 178.337 176.870 0.155 0.000 1.153 71 L CA 0.843 55.375 54.840 -0.512 0.000 0.851 71 L CB -0.250 41.556 42.059 -0.422 0.000 0.959 71 L HN 0.210 8.440 8.230 -0.000 0.000 0.451 72 K N -0.717 119.724 120.400 0.069 0.000 2.387 72 K HA 0.179 4.499 4.320 0.001 0.000 0.203 72 K C 0.036 176.728 176.600 0.153 0.000 1.030 72 K CA -0.043 56.353 56.287 0.183 0.000 1.099 72 K CB 0.202 32.760 32.500 0.096 0.000 0.863 72 K HN 0.025 8.275 8.250 -0.000 0.000 0.529 73 N N 2.700 121.440 118.700 0.067 0.000 2.439 73 N HA 0.124 4.864 4.740 0.001 0.000 0.249 73 N C -1.930 173.585 175.510 0.009 0.000 1.003 73 N CA -1.978 51.062 53.050 -0.017 0.000 0.942 73 N CB 1.607 40.003 38.487 -0.152 0.000 1.115 73 N HN -0.160 8.220 8.380 -0.000 0.000 0.505 74 P HA -0.122 4.298 4.420 -0.000 0.000 0.219 74 P C 1.348 178.595 177.300 -0.087 0.000 1.146 74 P CA 0.719 63.864 63.100 0.074 0.000 0.808 74 P CB 0.479 32.196 31.700 0.027 0.000 0.779 75 V N -0.583 119.205 119.914 -0.210 0.000 2.427 75 V HA -0.220 3.900 4.120 0.001 0.000 0.248 75 V C 2.319 178.063 176.094 -0.583 0.000 1.051 75 V CA 1.665 63.768 62.300 -0.327 0.000 1.048 75 V CB -1.420 30.233 31.823 -0.284 0.000 0.666 75 V HN 0.007 8.197 8.190 -0.000 0.000 0.456 76 F N 0.123 119.488 119.950 -0.975 0.000 2.084 76 F HA -0.147 4.380 4.527 0.000 0.000 0.296 76 F C 2.048 177.488 175.800 -0.600 0.000 1.111 76 F CA 1.316 58.744 58.000 -0.954 0.000 1.224 76 F CB -0.587 37.897 39.000 -0.861 0.000 0.991 76 F HN 0.155 8.455 8.300 -0.000 0.000 0.471 77 W N 1.133 122.074 121.300 -0.599 0.000 2.342 77 W HA -0.154 4.506 4.660 -0.000 0.000 0.297 77 W C 2.408 178.587 176.519 -0.568 0.000 1.213 77 W CA 0.939 57.907 57.345 -0.630 0.000 1.251 77 W CB -0.334 28.953 29.460 -0.287 0.000 1.136 77 W HN -0.004 8.176 8.180 -0.000 0.000 0.526 78 E N 0.602 120.646 120.200 -0.260 0.000 2.110 78 E HA -0.173 4.178 4.350 0.001 0.000 0.193 78 E C 1.975 178.326 176.600 -0.416 0.000 0.988 78 E CA 1.119 57.354 56.400 -0.276 0.000 0.804 78 E CB -0.334 29.242 29.700 -0.207 0.000 0.745 78 E HN 0.242 8.602 8.360 -0.000 0.000 0.458 79 K N 0.380 120.393 120.400 -0.645 0.000 2.057 79 K HA -0.058 4.263 4.320 0.001 0.000 0.206 79 K C 2.087 178.061 176.600 -1.045 0.000 1.050 79 K CA 0.698 56.361 56.287 -1.040 0.000 0.935 79 K CB -0.447 31.042 32.500 -1.684 0.000 0.715 79 K HN 0.104 8.354 8.250 -0.000 0.000 0.439 80 M N 1.752 120.791 119.600 -0.935 0.000 2.213 80 M HA -0.078 4.402 4.480 0.001 0.000 0.263 80 M C 0.779 176.964 176.300 -0.193 0.000 1.062 80 M CA 1.567 56.541 55.300 -0.545 0.000 1.105 80 M CB -0.149 31.887 32.600 -0.941 0.000 1.385 80 M HN 0.006 8.296 8.290 -0.000 0.000 0.417 81 N N -0.277 118.310 118.700 -0.188 0.000 2.280 81 N HA 0.110 4.850 4.740 0.001 0.000 0.192 81 N C 0.035 175.497 175.510 -0.080 0.000 1.109 81 N CA 0.341 53.361 53.050 -0.051 0.000 0.855 81 N CB 0.004 38.424 38.487 -0.112 0.000 0.974 81 N HN 0.452 8.832 8.380 -0.000 0.000 0.482 82 N N -0.688 117.925 118.700 -0.145 0.000 2.299 82 N HA 0.225 4.966 4.740 0.001 0.000 0.246 82 N C 0.617 176.084 175.510 -0.072 0.000 1.254 82 N CA 0.205 53.187 53.050 -0.113 0.000 0.879 82 N CB 1.877 40.277 38.487 -0.146 0.000 1.214 82 N HN 0.254 8.634 8.380 -0.000 0.000 0.510 83 G N -0.606 108.183 108.800 -0.017 0.000 3.655 83 G HA2 -0.117 3.844 3.960 0.001 0.000 0.219 83 G HA3 -0.117 3.844 3.960 0.001 0.000 0.219 83 G C 0.385 175.448 174.900 0.272 0.000 0.933 83 G CA -0.408 44.742 45.100 0.083 0.000 0.856 83 G HN 0.146 8.436 8.290 -0.000 0.000 0.523 84 W N 2.468 123.811 121.300 0.071 0.000 2.525 84 W HA 0.219 4.879 4.660 0.001 0.000 0.259 84 W C 1.322 177.961 176.519 0.200 0.000 1.253 84 W CA 0.756 58.211 57.345 0.184 0.000 1.262 84 W CB -0.148 29.377 29.460 0.107 0.000 1.122 84 W HN 0.193 8.373 8.180 -0.000 0.000 0.607 85 D N 0.070 120.652 120.400 0.303 0.000 2.371 85 D HA -0.113 4.528 4.640 0.001 0.000 0.221 85 D C 1.632 178.005 176.300 0.122 0.000 0.986 85 D CA 0.711 54.837 54.000 0.209 0.000 0.899 85 D CB -0.006 40.881 40.800 0.145 0.000 0.902 85 D HN 0.221 8.591 8.370 -0.000 0.000 0.530 86 E N -0.141 120.093 120.200 0.056 0.000 2.265 86 E HA -0.128 4.223 4.350 0.001 0.000 0.196 86 E C 1.275 177.753 176.600 -0.203 0.000 0.996 86 E CA 0.564 56.883 56.400 -0.134 0.000 0.832 86 E CB -0.150 29.383 29.700 -0.279 0.000 0.756 86 E HN 0.431 8.791 8.360 -0.000 0.000 0.491 87 F N 0.471 120.473 119.950 0.087 0.000 2.727 87 F HA 0.123 4.650 4.527 0.000 0.000 0.302 87 F C 0.944 176.818 175.800 0.123 0.000 1.097 87 F CA -0.070 57.978 58.000 0.080 0.000 1.330 87 F CB 0.354 39.381 39.000 0.044 0.000 1.084 87 F HN -0.330 7.970 8.300 -0.000 0.000 0.578 88 S N 1.354 117.222 115.700 0.279 0.000 2.528 88 S HA 0.385 4.856 4.470 0.001 0.000 0.277 88 S C 0.043 174.775 174.600 0.220 0.000 1.297 88 S CA -0.321 58.038 58.200 0.265 0.000 1.052 88 S CB 0.533 63.872 63.200 0.232 0.000 0.917 88 S HN 0.022 8.332 8.310 -0.000 0.000 0.492 89 I N 5.230 125.977 120.570 0.296 0.000 2.304 89 I HA 0.274 4.445 4.170 0.001 0.000 0.291 89 I C -2.277 173.960 176.117 0.200 0.000 1.018 89 I CA -2.425 59.003 61.300 0.212 0.000 1.260 89 I CB 1.002 39.127 38.000 0.209 0.000 1.390 89 I HN 0.310 8.520 8.210 -0.000 0.000 0.475 90 P HA 0.059 4.479 4.420 -0.000 0.000 0.266 90 P C -0.937 176.484 177.300 0.201 0.000 1.195 90 P CA -0.170 63.006 63.100 0.126 0.000 0.768 90 P CB 0.437 32.008 31.700 -0.215 0.000 0.838 91 K N 2.482 123.060 120.400 0.297 0.000 2.201 91 K HA 0.128 4.449 4.320 0.001 0.000 0.278 91 K C 1.108 177.831 176.600 0.205 0.000 1.027 91 K CA -0.275 56.144 56.287 0.221 0.000 0.909 91 K CB 0.907 33.520 32.500 0.187 0.000 1.062 91 K HN 0.436 8.686 8.250 -0.000 0.000 0.465 92 E N 1.145 121.436 120.200 0.151 0.000 2.118 92 E HA -0.202 4.149 4.350 0.001 0.000 0.195 92 E C 1.736 178.368 176.600 0.055 0.000 0.992 92 E CA 0.971 57.443 56.400 0.121 0.000 0.804 92 E CB 0.073 29.855 29.700 0.136 0.000 0.741 92 E HN 0.418 8.778 8.360 -0.000 0.000 0.458 93 V N 1.046 120.950 119.914 -0.017 0.000 2.392 93 V HA -0.283 3.838 4.120 0.001 0.000 0.249 93 V C 2.097 178.171 176.094 -0.032 0.000 1.059 93 V CA 2.169 64.442 62.300 -0.046 0.000 1.051 93 V CB -0.303 31.477 31.823 -0.070 0.000 0.658 93 V HN 0.336 8.526 8.190 -0.000 0.000 0.455 94 A N -0.216 122.595 122.820 -0.016 0.000 1.929 94 A HA -0.136 4.184 4.320 0.001 0.000 0.216 94 A C 2.265 179.751 177.584 -0.164 0.000 1.176 94 A CA 1.460 53.393 52.037 -0.173 0.000 0.628 94 A CB -0.530 18.294 19.000 -0.293 0.000 0.816 94 A HN 0.584 8.734 8.150 -0.000 0.000 0.444 95 R N -0.430 120.159 120.500 0.147 0.000 2.083 95 R HA -0.201 4.139 4.340 0.001 0.000 0.237 95 R C 2.429 178.787 176.300 0.097 0.000 1.137 95 R CA 1.943 58.189 56.100 0.244 0.000 0.951 95 R CB -0.386 30.067 30.300 0.255 0.000 0.851 95 R HN 0.684 8.954 8.270 -0.000 0.000 0.434 96 Q N 0.414 120.244 119.800 0.050 0.000 2.079 96 Q HA -0.085 4.255 4.340 0.001 0.000 0.200 96 Q C 2.266 178.263 176.000 -0.004 0.000 0.974 96 Q CA 1.180 56.996 55.803 0.023 0.000 0.840 96 Q CB -0.071 28.672 28.738 0.008 0.000 0.898 96 Q HN 0.318 8.588 8.270 -0.000 0.000 0.430 97 L N 0.074 121.278 121.223 -0.031 0.000 2.056 97 L HA -0.184 4.157 4.340 0.001 0.000 0.207 97 L C 2.273 179.216 176.870 0.122 0.000 1.078 97 L CA 0.991 55.833 54.840 0.004 0.000 0.749 97 L CB -0.324 41.695 42.059 -0.067 0.000 0.901 97 L HN 0.255 8.485 8.230 -0.000 0.000 0.433 98 I N -0.285 120.264 120.570 -0.035 0.000 2.252 98 I HA -0.281 3.889 4.170 0.001 0.000 0.245 98 I C 2.091 178.247 176.117 0.064 0.000 1.102 98 I CA 1.136 62.403 61.300 -0.055 0.000 1.385 98 I CB -0.357 37.451 38.000 -0.319 0.000 1.064 98 I HN 0.238 8.448 8.210 -0.000 0.000 0.414 99 D N 0.526 120.963 120.400 0.061 0.000 2.123 99 D HA -0.238 4.402 4.640 0.001 0.000 0.196 99 D C 2.079 178.405 176.300 0.045 0.000 0.992 99 D CA 1.253 55.296 54.000 0.072 0.000 0.833 99 D CB -0.287 40.556 40.800 0.072 0.000 0.954 99 D HN 0.215 8.585 8.370 -0.000 0.000 0.455 100 M N 0.166 119.769 119.600 0.005 0.000 2.117 100 M HA -0.172 4.309 4.480 0.001 0.000 0.262 100 M C 1.781 178.026 176.300 -0.093 0.000 1.065 100 M CA 1.658 56.915 55.300 -0.071 0.000 1.114 100 M CB -0.435 32.075 32.600 -0.150 0.000 1.361 100 M HN 0.135 8.425 8.290 -0.000 0.000 0.408 101 H N -0.635 118.487 119.070 0.085 0.000 2.428 101 H HA -0.027 4.530 4.556 0.000 0.000 0.296 101 H C 2.296 177.668 175.328 0.073 0.000 1.062 101 H CA 1.578 57.687 56.048 0.101 0.000 1.350 101 H CB -0.339 29.523 29.762 0.167 0.000 1.403 101 H HN 0.280 8.560 8.280 -0.000 0.000 0.533 102 V N 0.935 120.943 119.914 0.156 0.000 2.358 102 V HA -0.236 3.885 4.120 0.001 0.000 0.246 102 V C 2.684 178.822 176.094 0.074 0.000 1.047 102 V CA 1.738 64.100 62.300 0.103 0.000 1.035 102 V CB -0.462 31.414 31.823 0.089 0.000 0.658 102 V HN 0.259 8.449 8.190 -0.000 0.000 0.452 103 R N 0.163 120.697 120.500 0.056 0.000 2.091 103 R HA -0.167 4.173 4.340 0.001 0.000 0.238 103 R C 2.430 178.753 176.300 0.037 0.000 1.136 103 R CA 1.685 57.806 56.100 0.035 0.000 0.959 103 R CB -0.202 30.108 30.300 0.016 0.000 0.856 103 R HN 0.408 8.678 8.270 -0.000 0.000 0.437 104 R N -1.144 119.383 120.500 0.045 0.000 2.235 104 R HA 0.027 4.367 4.340 0.001 0.000 0.213 104 R C 0.971 177.313 176.300 0.071 0.000 1.059 104 R CA 0.736 56.870 56.100 0.056 0.000 0.997 104 R CB 0.205 30.549 30.300 0.073 0.000 0.884 104 R HN 0.561 8.831 8.270 -0.000 0.000 0.462 105 G N 1.602 110.448 108.800 0.076 0.000 2.136 105 G HA2 -0.215 3.746 3.960 0.001 0.000 0.242 105 G HA3 -0.215 3.746 3.960 0.001 0.000 0.242 105 G C -0.508 174.442 174.900 0.083 0.000 0.989 105 G CA 0.053 45.194 45.100 0.069 0.000 0.682 105 G HN 0.260 8.550 8.290 -0.000 0.000 0.522 106 D N 0.589 121.061 120.400 0.120 0.000 2.362 106 D HA 0.546 5.187 4.640 0.001 0.000 0.242 106 D C 0.843 177.191 176.300 0.081 0.000 1.132 106 D CA 0.812 54.888 54.000 0.127 0.000 0.907 106 D CB 1.209 42.134 40.800 0.207 0.000 1.195 106 D HN 0.669 9.039 8.370 -0.000 0.000 0.429 107 A N 2.180 125.042 122.820 0.071 0.000 2.366 107 A HA 0.448 4.768 4.320 0.001 0.000 0.272 107 A C 0.126 177.688 177.584 -0.037 0.000 1.135 107 A CA -0.391 51.646 52.037 -0.000 0.000 0.804 107 A CB 0.058 19.102 19.000 0.073 0.000 1.064 107 A HN 0.517 8.667 8.150 -0.000 0.000 0.499 108 I N 2.392 122.839 120.570 -0.204 0.000 2.378 108 I HA 0.414 4.585 4.170 0.001 0.000 0.291 108 I C -1.004 174.821 176.117 -0.486 0.000 0.992 108 I CA -0.113 61.062 61.300 -0.208 0.000 1.154 108 I CB 1.224 39.128 38.000 -0.161 0.000 1.315 108 I HN 0.555 8.765 8.210 -0.000 0.000 0.448 109 F N 5.208 125.025 119.950 -0.221 0.000 2.538 109 F HA 0.575 5.103 4.527 0.000 0.000 0.325 109 F C -0.487 175.065 175.800 -0.413 0.000 1.066 109 F CA -0.602 57.284 58.000 -0.191 0.000 0.946 109 F CB 1.673 40.645 39.000 -0.048 0.000 1.199 109 F HN 0.140 8.440 8.300 -0.000 0.000 0.473 110 F N 1.658 121.756 119.950 0.246 0.000 2.467 110 F HA 0.640 5.166 4.527 -0.000 0.000 0.336 110 F C -0.659 175.187 175.800 0.076 0.000 1.123 110 F CA -1.097 56.999 58.000 0.160 0.000 0.964 110 F CB 1.749 40.757 39.000 0.013 0.000 1.136 110 F HN -0.033 8.267 8.300 -0.000 0.000 0.447 111 V N 2.478 122.576 119.914 0.306 0.000 2.380 111 V HA 0.470 4.591 4.120 0.001 0.000 0.286 111 V C -0.236 175.950 176.094 0.153 0.000 1.015 111 V CA -0.494 61.880 62.300 0.124 0.000 0.834 111 V CB 1.561 33.438 31.823 0.091 0.000 1.009 111 V HN 0.814 9.004 8.190 -0.000 0.000 0.428 112 T N 2.809 117.337 114.554 -0.043 0.000 2.885 112 T HA 0.565 4.916 4.350 0.001 0.000 0.285 112 T C 1.174 175.863 174.700 -0.019 0.000 1.019 112 T CA 0.371 62.460 62.100 -0.017 0.000 1.010 112 T CB 1.802 70.591 68.868 -0.131 0.000 1.022 112 T HN 0.767 9.007 8.240 -0.000 0.000 0.466 113 G N 2.606 111.440 108.800 0.056 0.000 2.848 113 G HA2 0.065 4.026 3.960 0.001 0.000 0.208 113 G HA3 0.065 4.026 3.960 0.001 0.000 0.208 113 G C 0.686 175.574 174.900 -0.020 0.000 1.152 113 G CA -0.124 45.004 45.100 0.047 0.000 0.789 113 G HN 0.665 8.955 8.290 -0.000 0.000 0.531 114 R N 0.763 121.247 120.500 -0.028 0.000 2.698 114 R HA 0.199 4.540 4.340 0.001 0.000 0.266 114 R C 0.059 176.043 176.300 -0.526 0.000 1.026 114 R CA 0.007 55.911 56.100 -0.326 0.000 1.102 114 R CB 0.402 30.745 30.300 0.072 0.000 0.978 114 R HN 0.089 8.359 8.270 -0.000 0.000 0.436 115 S N 3.449 118.333 115.700 -1.360 0.000 2.580 115 S HA 0.196 4.667 4.470 0.001 0.000 0.274 115 S C -1.958 172.311 174.600 -0.552 0.000 1.329 115 S CA -1.082 56.581 58.200 -0.895 0.000 1.036 115 S CB 0.918 63.388 63.200 -1.217 0.000 0.919 115 S HN 0.450 8.760 8.310 -0.000 0.000 0.515 116 P HA 0.178 4.598 4.420 -0.000 0.000 0.271 116 P C -0.401 176.665 177.300 -0.389 0.000 1.218 116 P CA -0.229 62.632 63.100 -0.399 0.000 0.780 116 P CB 0.444 32.030 31.700 -0.191 0.000 0.901 117 T N -1.663 112.610 114.554 -0.470 0.000 2.888 117 T HA 0.385 4.736 4.350 0.001 0.000 0.288 117 T C 1.096 175.646 174.700 -0.249 0.000 1.063 117 T CA -0.890 61.024 62.100 -0.309 0.000 1.010 117 T CB 1.608 70.291 68.868 -0.308 0.000 1.214 117 T HN 0.165 8.405 8.240 -0.000 0.000 0.533 118 K N 0.467 120.763 120.400 -0.173 0.000 2.097 118 K HA 0.051 4.371 4.320 0.001 0.000 0.206 118 K C 1.039 177.559 176.600 -0.133 0.000 1.049 118 K CA 1.480 57.690 56.287 -0.129 0.000 0.933 118 K CB -0.203 32.240 32.500 -0.096 0.000 0.717 118 K HN 0.868 9.118 8.250 -0.000 0.000 0.442 119 T N -0.572 113.890 114.554 -0.155 0.000 2.883 119 T HA 0.487 4.838 4.350 0.001 0.000 0.296 119 T C -1.444 173.143 174.700 -0.188 0.000 1.117 119 T CA -1.158 60.859 62.100 -0.139 0.000 1.006 119 T CB 2.330 71.141 68.868 -0.096 0.000 1.191 119 T HN 0.120 8.360 8.240 -0.000 0.000 0.508 120 E N -0.915 119.199 120.200 -0.143 0.000 2.335 120 E HA 0.521 4.872 4.350 0.001 0.000 0.280 120 E C -0.066 176.521 176.600 -0.023 0.000 0.918 120 E CA -0.883 55.445 56.400 -0.120 0.000 0.765 120 E CB 1.287 30.857 29.700 -0.217 0.000 1.218 120 E HN 0.703 9.063 8.360 -0.000 0.000 0.425 121 T N -1.133 113.422 114.554 0.001 0.000 3.085 121 T HA 0.160 4.511 4.350 0.001 0.000 0.264 121 T C 1.148 175.869 174.700 0.035 0.000 1.019 121 T CA 0.306 62.413 62.100 0.011 0.000 0.910 121 T CB -0.082 68.781 68.868 -0.007 0.000 1.059 121 T HN 0.229 8.469 8.240 -0.000 0.000 0.542 122 V N 1.813 121.782 119.914 0.091 0.000 2.358 122 V HA -0.156 3.965 4.120 0.001 0.000 0.246 122 V C 2.895 178.985 176.094 -0.007 0.000 1.047 122 V CA 2.086 64.433 62.300 0.079 0.000 1.035 122 V CB -0.986 30.951 31.823 0.191 0.000 0.658 122 V HN 0.524 8.714 8.190 -0.000 0.000 0.452 123 S N -0.338 115.379 115.700 0.028 0.000 2.359 123 S HA -0.281 4.189 4.470 0.001 0.000 0.224 123 S C 2.024 176.605 174.600 -0.031 0.000 1.035 123 S CA 2.053 60.242 58.200 -0.017 0.000 1.018 123 S CB -0.333 62.895 63.200 0.047 0.000 0.876 123 S HN 0.635 8.945 8.310 -0.000 0.000 0.448 124 K N 0.763 121.157 120.400 -0.010 0.000 2.026 124 K HA -0.116 4.205 4.320 0.001 0.000 0.208 124 K C 2.088 178.664 176.600 -0.040 0.000 1.048 124 K CA 1.660 57.937 56.287 -0.017 0.000 0.929 124 K CB -0.412 32.082 32.500 -0.010 0.000 0.713 124 K HN 0.251 8.501 8.250 -0.000 0.000 0.439 125 T N 1.932 116.459 114.554 -0.045 0.000 2.699 125 T HA -0.159 4.192 4.350 0.001 0.000 0.268 125 T C 1.770 176.411 174.700 -0.098 0.000 1.036 125 T CA 1.587 63.647 62.100 -0.066 0.000 1.147 125 T CB -0.144 68.700 68.868 -0.040 0.000 0.862 125 T HN 0.169 8.409 8.240 -0.000 0.000 0.446 126 L N 0.506 121.665 121.223 -0.106 0.000 2.027 126 L HA -0.022 4.319 4.340 0.001 0.000 0.206 126 L C 3.097 179.975 176.870 0.014 0.000 1.074 126 L CA 1.190 55.982 54.840 -0.080 0.000 0.745 126 L CB -0.728 41.054 42.059 -0.461 0.000 0.898 126 L HN 0.229 8.459 8.230 -0.000 0.000 0.433 127 A N -0.021 122.788 122.820 -0.018 0.000 1.908 127 A HA -0.244 4.076 4.320 0.001 0.000 0.218 127 A C 1.910 179.482 177.584 -0.019 0.000 1.181 127 A CA 2.132 54.184 52.037 0.025 0.000 0.627 127 A CB -0.540 18.475 19.000 0.025 0.000 0.818 127 A HN 0.365 8.515 8.150 -0.000 0.000 0.445 128 D N -0.260 120.102 120.400 -0.064 0.000 2.084 128 D HA -0.104 4.537 4.640 0.001 0.000 0.196 128 D C 1.726 177.874 176.300 -0.254 0.000 0.985 128 D CA 1.564 55.506 54.000 -0.096 0.000 0.826 128 D CB -0.558 40.194 40.800 -0.080 0.000 0.978 128 D HN 0.537 8.907 8.370 -0.000 0.000 0.456 129 N N -0.774 117.712 118.700 -0.357 0.000 2.270 129 N HA -0.050 4.690 4.740 0.001 0.000 0.181 129 N C 0.886 175.787 175.510 -1.015 0.000 1.016 129 N CA 0.592 53.255 53.050 -0.644 0.000 0.870 129 N CB -0.016 38.057 38.487 -0.689 0.000 0.979 129 N HN 0.084 8.464 8.380 -0.000 0.000 0.431 130 F N -0.543 119.136 119.950 -0.451 0.000 2.664 130 F HA 0.247 4.774 4.527 -0.000 0.000 0.303 130 F C -0.097 175.523 175.800 -0.300 0.000 1.092 130 F CA -0.311 57.461 58.000 -0.380 0.000 1.305 130 F CB -0.664 38.230 39.000 -0.177 0.000 1.054 130 F HN 0.018 8.318 8.300 -0.000 0.000 0.565 131 H N -0.605 118.521 119.070 0.093 0.000 2.677 131 H HA -0.172 4.385 4.556 0.001 0.000 0.321 131 H C -0.237 175.139 175.328 0.080 0.000 1.171 131 H CA 0.082 56.166 56.048 0.061 0.000 1.139 131 H CB -2.307 27.480 29.762 0.042 0.000 1.515 131 H HN 0.224 8.504 8.280 -0.000 0.000 0.423 132 I N 1.464 122.116 120.570 0.137 0.000 2.325 132 I HA 0.236 4.406 4.170 0.001 0.000 0.291 132 I C -1.643 174.525 176.117 0.085 0.000 1.019 132 I CA -1.942 59.426 61.300 0.115 0.000 1.302 132 I CB 0.796 38.867 38.000 0.119 0.000 1.401 132 I HN -0.008 8.202 8.210 -0.000 0.000 0.485 133 P HA 0.063 4.483 4.420 -0.000 0.000 0.270 133 P C 0.589 177.910 177.300 0.036 0.000 1.223 133 P CA -0.165 62.966 63.100 0.052 0.000 0.785 133 P CB 0.831 32.559 31.700 0.046 0.000 0.923 134 A N 1.518 124.355 122.820 0.028 0.000 1.917 134 A HA -0.228 4.092 4.320 0.001 0.000 0.219 134 A C 2.286 179.874 177.584 0.007 0.000 1.182 134 A CA 2.605 54.653 52.037 0.018 0.000 0.633 134 A CB -1.884 17.126 19.000 0.017 0.000 0.819 134 A HN 0.582 8.732 8.150 -0.000 0.000 0.448 135 T N -0.349 114.211 114.554 0.010 0.000 2.833 135 T HA -0.115 4.236 4.350 0.001 0.000 0.269 135 T C 1.686 176.378 174.700 -0.013 0.000 1.054 135 T CA 1.685 63.787 62.100 0.004 0.000 1.135 135 T CB -0.558 68.319 68.868 0.014 0.000 0.869 135 T HN 0.628 8.867 8.240 -0.000 0.000 0.466 136 N N 0.068 118.763 118.700 -0.009 0.000 2.395 136 N HA 0.071 4.812 4.740 0.001 0.000 0.175 136 N C 0.618 176.077 175.510 -0.085 0.000 1.029 136 N CA 0.157 53.190 53.050 -0.029 0.000 0.897 136 N CB -0.050 38.444 38.487 0.012 0.000 0.991 136 N HN 0.378 8.758 8.380 -0.000 0.000 0.441 137 M N 1.686 121.256 119.600 -0.050 0.000 2.242 137 M HA 0.160 4.641 4.480 0.001 0.000 0.344 137 M C -0.832 175.393 176.300 -0.125 0.000 1.140 137 M CA 0.088 55.362 55.300 -0.042 0.000 1.160 137 M CB 0.494 33.109 32.600 0.025 0.000 1.491 137 M HN -0.054 8.236 8.290 -0.000 0.000 0.459 138 N N 3.937 122.545 118.700 -0.153 0.000 2.235 138 N HA 0.492 5.233 4.740 0.001 0.000 0.293 138 N C -2.844 172.668 175.510 0.003 0.000 1.083 138 N CA -1.216 51.722 53.050 -0.187 0.000 0.801 138 N CB 1.831 39.935 38.487 -0.639 0.000 1.559 138 N HN 0.399 8.779 8.380 -0.000 0.000 0.472 139 P HA 0.027 4.447 4.420 -0.000 0.000 0.265 139 P C -0.035 177.331 177.300 0.110 0.000 1.193 139 P CA -0.151 63.001 63.100 0.087 0.000 0.765 139 P CB 0.615 32.364 31.700 0.082 0.000 0.823 140 V N 4.767 124.743 119.914 0.104 0.000 2.720 140 V HA -0.089 4.031 4.120 0.001 0.000 0.307 140 V C 0.874 176.911 176.094 -0.095 0.000 1.071 140 V CA 0.736 63.028 62.300 -0.013 0.000 1.199 140 V CB -0.289 31.390 31.823 -0.239 0.000 0.900 140 V HN 0.366 8.556 8.190 -0.000 0.000 0.494 141 I N 5.477 125.904 120.570 -0.239 0.000 2.307 141 I HA 0.308 4.479 4.170 0.001 0.000 0.289 141 I C -0.482 175.357 176.117 -0.464 0.000 1.021 141 I CA 0.019 61.062 61.300 -0.427 0.000 1.224 141 I CB 0.606 38.174 38.000 -0.721 0.000 1.376 141 I HN 0.439 8.649 8.210 -0.000 0.000 0.470 142 F N 5.487 125.260 119.950 -0.296 0.000 2.406 142 F HA 0.315 4.843 4.527 0.002 0.000 0.358 142 F C 1.262 176.935 175.800 -0.212 0.000 1.161 142 F CA -0.273 57.597 58.000 -0.218 0.000 1.185 142 F CB 1.071 39.953 39.000 -0.198 0.000 1.421 142 F HN 0.577 8.877 8.300 -0.000 0.000 0.576 143 A N 2.824 125.595 122.820 -0.081 0.000 2.123 143 A HA 0.461 4.782 4.320 0.001 0.000 0.214 143 A C 1.549 179.176 177.584 0.072 0.000 1.152 143 A CA 0.661 52.720 52.037 0.036 0.000 0.728 143 A CB -0.875 18.160 19.000 0.058 0.000 0.814 143 A HN 0.993 9.143 8.150 -0.000 0.000 0.464 144 G N -0.977 107.818 108.800 -0.010 0.000 2.750 144 G HA2 -0.075 3.886 3.960 0.001 0.000 0.228 144 G HA3 -0.075 3.886 3.960 0.001 0.000 0.228 144 G C -0.670 174.230 174.900 0.001 0.000 1.367 144 G CA 0.081 45.149 45.100 -0.054 0.000 0.871 144 G HN 0.759 9.049 8.290 -0.000 0.000 0.560 145 D N -0.385 120.020 120.400 0.008 0.000 2.788 145 D HA 0.617 5.258 4.640 0.001 0.000 0.247 145 D C -0.561 175.766 176.300 0.045 0.000 1.236 145 D CA -0.585 53.443 54.000 0.046 0.000 0.898 145 D CB 0.878 41.721 40.800 0.071 0.000 1.401 145 D HN 0.495 8.865 8.370 -0.000 0.000 0.549 146 K N 4.208 124.635 120.400 0.045 0.000 2.656 146 K HA 0.365 4.686 4.320 0.001 0.000 0.241 146 K C -2.606 174.017 176.600 0.038 0.000 0.967 146 K CA -1.769 54.540 56.287 0.038 0.000 0.946 146 K CB 1.935 34.452 32.500 0.029 0.000 1.164 146 K HN 0.245 8.495 8.250 -0.000 0.000 0.459 147 P HA -0.082 4.338 4.420 -0.000 0.000 0.261 147 P C 0.812 178.130 177.300 0.031 0.000 1.173 147 P CA 1.179 64.304 63.100 0.042 0.000 0.760 147 P CB 0.615 32.341 31.700 0.043 0.000 0.783 148 G N 1.504 110.322 108.800 0.029 0.000 2.213 148 G HA2 -0.201 3.759 3.960 0.001 0.000 0.236 148 G HA3 -0.201 3.759 3.960 0.001 0.000 0.236 148 G C -0.005 174.902 174.900 0.011 0.000 0.991 148 G CA -0.330 44.782 45.100 0.019 0.000 0.629 148 G HN 0.578 8.868 8.290 -0.000 0.000 0.517 149 Q N -0.447 119.361 119.800 0.013 0.000 2.397 149 Q HA 0.430 4.771 4.340 0.001 0.000 0.275 149 Q C -1.002 175.004 176.000 0.009 0.000 1.090 149 Q CA -0.739 55.066 55.803 0.003 0.000 0.809 149 Q CB 1.788 30.528 28.738 0.002 0.000 1.362 149 Q HN 0.266 8.536 8.270 -0.000 0.000 0.431 150 N N 0.226 118.922 118.700 -0.006 0.000 2.500 150 N HA 0.066 4.806 4.740 0.001 0.000 0.236 150 N C 0.868 176.378 175.510 0.000 0.000 1.022 150 N CA -0.006 53.042 53.050 -0.003 0.000 0.935 150 N CB 0.761 39.230 38.487 -0.029 0.000 1.147 150 N HN 0.587 8.967 8.380 -0.000 0.000 0.512 151 T N 0.567 115.143 114.554 0.035 0.000 3.072 151 T HA -0.029 4.321 4.350 0.001 0.000 0.266 151 T C 1.182 175.964 174.700 0.136 0.000 1.127 151 T CA 0.846 62.990 62.100 0.074 0.000 1.107 151 T CB -0.007 68.923 68.868 0.104 0.000 0.910 151 T HN 0.440 8.680 8.240 -0.000 0.000 0.513 152 K N 0.963 121.403 120.400 0.067 0.000 2.262 152 K HA 0.148 4.468 4.320 0.001 0.000 0.200 152 K C 2.647 179.214 176.600 -0.056 0.000 1.049 152 K CA 0.736 57.046 56.287 0.039 0.000 0.979 152 K CB 0.006 32.456 32.500 -0.085 0.000 0.773 152 K HN 0.282 8.532 8.250 -0.000 0.000 0.474 153 S N 1.819 117.458 115.700 -0.100 0.000 2.359 153 S HA -0.234 4.237 4.470 0.001 0.000 0.224 153 S C 1.997 176.500 174.600 -0.162 0.000 1.035 153 S CA 1.510 59.620 58.200 -0.151 0.000 1.018 153 S CB -0.245 62.878 63.200 -0.129 0.000 0.876 153 S HN 0.239 8.549 8.310 -0.000 0.000 0.448 154 Q N 0.272 119.962 119.800 -0.184 0.000 2.124 154 Q HA -0.081 4.260 4.340 0.001 0.000 0.202 154 Q C 1.618 177.421 176.000 -0.330 0.000 0.977 154 Q CA 1.640 57.271 55.803 -0.287 0.000 0.850 154 Q CB -0.474 28.036 28.738 -0.381 0.000 0.901 154 Q HN 0.715 8.985 8.270 -0.000 0.000 0.429 155 W N -0.186 121.009 121.300 -0.176 0.000 2.381 155 W HA -0.066 4.594 4.660 0.001 0.000 0.301 155 W C 1.806 178.155 176.519 -0.283 0.000 1.205 155 W CA 0.634 57.858 57.345 -0.202 0.000 1.285 155 W CB -0.163 29.191 29.460 -0.177 0.000 1.133 155 W HN 0.128 8.308 8.180 -0.000 0.000 0.521 156 L N -0.010 121.144 121.223 -0.115 0.000 2.046 156 L HA -0.260 4.081 4.340 0.001 0.000 0.208 156 L C 2.566 179.318 176.870 -0.198 0.000 1.077 156 L CA 1.611 56.308 54.840 -0.238 0.000 0.747 156 L CB -1.186 40.670 42.059 -0.338 0.000 0.896 156 L HN 0.149 8.379 8.230 -0.000 0.000 0.432 157 Q N 0.351 120.045 119.800 -0.176 0.000 2.046 157 Q HA -0.227 4.114 4.340 0.001 0.000 0.200 157 Q C 1.721 177.629 176.000 -0.153 0.000 0.975 157 Q CA 1.901 57.609 55.803 -0.158 0.000 0.836 157 Q CB 0.094 28.740 28.738 -0.154 0.000 0.896 157 Q HN 0.402 8.672 8.270 -0.000 0.000 0.428 158 D N 0.312 120.612 120.400 -0.167 0.000 2.144 158 D HA -0.128 4.513 4.640 0.001 0.000 0.199 158 D C 1.261 177.485 176.300 -0.126 0.000 0.984 158 D CA 1.061 54.974 54.000 -0.146 0.000 0.834 158 D CB 0.062 40.751 40.800 -0.186 0.000 0.955 158 D HN 0.151 8.521 8.370 -0.000 0.000 0.465 159 K N 0.480 120.763 120.400 -0.196 0.000 2.404 159 K HA 0.035 4.356 4.320 0.001 0.000 0.194 159 K C 0.279 176.710 176.600 -0.280 0.000 1.023 159 K CA -0.241 55.831 56.287 -0.359 0.000 1.094 159 K CB -0.205 31.760 32.500 -0.892 0.000 0.841 159 K HN -0.032 8.218 8.250 -0.000 0.000 0.523 160 N N 1.467 120.058 118.700 -0.183 0.000 2.716 160 N HA -0.209 4.531 4.740 0.001 0.000 0.250 160 N C -0.860 174.574 175.510 -0.126 0.000 1.033 160 N CA 0.236 53.211 53.050 -0.126 0.000 0.727 160 N CB -1.682 36.762 38.487 -0.072 0.000 0.950 160 N HN 0.279 8.659 8.380 -0.000 0.000 0.541 161 I N 0.701 121.164 120.570 -0.179 0.000 2.533 161 I HA -0.007 4.163 4.170 0.001 0.000 0.284 161 I C 1.682 177.733 176.117 -0.109 0.000 1.109 161 I CA -0.162 61.053 61.300 -0.141 0.000 1.412 161 I CB 0.654 38.548 38.000 -0.176 0.000 1.396 161 I HN 0.132 8.342 8.210 -0.000 0.000 0.543 162 R N 6.099 126.550 120.500 -0.082 0.000 2.254 162 R HA 0.405 4.745 4.340 0.001 0.000 0.193 162 R C -0.041 176.194 176.300 -0.108 0.000 0.929 162 R CA 0.440 56.493 56.100 -0.079 0.000 1.038 162 R CB 0.317 30.589 30.300 -0.046 0.000 1.009 162 R HN 0.503 8.773 8.270 -0.000 0.000 0.512 163 I N 0.348 120.825 120.570 -0.155 0.000 2.569 163 I HA 0.302 4.473 4.170 0.001 0.000 0.290 163 I C -1.350 174.573 176.117 -0.323 0.000 1.088 163 I CA -0.986 60.142 61.300 -0.287 0.000 1.047 163 I CB 2.483 40.261 38.000 -0.370 0.000 1.237 163 I HN -0.241 7.969 8.210 -0.000 0.000 0.421 164 F N 6.506 126.129 119.950 -0.545 0.000 2.507 164 F HA 0.554 5.083 4.527 0.002 0.000 0.328 164 F C -1.324 174.155 175.800 -0.535 0.000 1.136 164 F CA -0.778 56.936 58.000 -0.476 0.000 0.930 164 F CB 1.150 39.995 39.000 -0.259 0.000 1.166 164 F HN 0.197 8.497 8.300 -0.000 0.000 0.436 165 Y N 3.586 123.343 120.300 -0.905 0.000 2.330 165 Y HA 0.709 5.258 4.550 -0.001 0.000 0.336 165 Y C 0.639 176.125 175.900 -0.690 0.000 1.036 165 Y CA -0.575 57.134 58.100 -0.651 0.000 1.125 165 Y CB 1.771 39.857 38.460 -0.623 0.000 1.194 165 Y HN 0.768 9.048 8.280 -0.000 0.000 0.469 166 G N 1.177 109.864 108.800 -0.187 0.000 2.601 166 G HA2 0.228 4.189 3.960 0.001 0.000 0.291 166 G HA3 0.228 4.189 3.960 0.001 0.000 0.291 166 G C -0.744 174.172 174.900 0.026 0.000 1.456 166 G CA -0.723 44.315 45.100 -0.104 0.000 0.804 166 G HN 0.522 8.812 8.290 -0.000 0.000 0.499 167 D N -0.982 119.460 120.400 0.070 0.000 2.355 167 D HA 0.098 4.739 4.640 0.001 0.000 0.206 167 D C 0.846 177.196 176.300 0.083 0.000 1.010 167 D CA 0.315 54.366 54.000 0.085 0.000 0.875 167 D CB 0.404 41.266 40.800 0.103 0.000 0.966 167 D HN 0.188 8.558 8.370 -0.000 0.000 0.512 168 S N 0.732 116.496 115.700 0.107 0.000 2.654 168 S HA 0.149 4.620 4.470 0.001 0.000 0.283 168 S C 0.439 175.122 174.600 0.138 0.000 1.180 168 S CA -0.655 57.611 58.200 0.110 0.000 1.021 168 S CB 2.030 65.321 63.200 0.153 0.000 1.018 168 S HN -0.036 8.274 8.310 -0.000 0.000 0.532 169 D N 2.098 122.596 120.400 0.164 0.000 2.149 169 D HA -0.154 4.486 4.640 0.001 0.000 0.198 169 D C 1.734 178.097 176.300 0.106 0.000 0.990 169 D CA 1.404 55.567 54.000 0.271 0.000 0.839 169 D CB -0.457 40.557 40.800 0.357 0.000 0.948 169 D HN 0.804 9.174 8.370 -0.000 0.000 0.460 170 N N 0.250 119.010 118.700 0.100 0.000 2.453 170 N HA -0.142 4.599 4.740 0.001 0.000 0.183 170 N C 0.917 176.469 175.510 0.069 0.000 1.041 170 N CA 0.729 53.812 53.050 0.055 0.000 0.900 170 N CB 0.087 38.621 38.487 0.079 0.000 0.961 170 N HN -0.005 8.375 8.380 -0.000 0.000 0.443 171 D N 1.148 121.635 120.400 0.144 0.000 2.123 171 D HA -0.060 4.580 4.640 0.001 0.000 0.200 171 D C 2.033 178.446 176.300 0.187 0.000 0.976 171 D CA 0.725 54.894 54.000 0.282 0.000 0.831 171 D CB 0.038 40.993 40.800 0.259 0.000 0.974 171 D HN 0.317 8.687 8.370 -0.000 0.000 0.469 172 I N 1.456 122.049 120.570 0.038 0.000 2.286 172 I HA -0.162 4.008 4.170 0.001 0.000 0.245 172 I C 2.620 178.597 176.117 -0.233 0.000 1.104 172 I CA 1.215 62.469 61.300 -0.075 0.000 1.397 172 I CB -1.645 36.318 38.000 -0.061 0.000 1.072 172 I HN 0.063 8.273 8.210 -0.000 0.000 0.417 173 T N -0.651 113.695 114.554 -0.348 0.000 2.951 173 T HA 0.062 4.413 4.350 0.001 0.000 0.268 173 T C 2.043 176.621 174.700 -0.203 0.000 1.073 173 T CA 0.900 62.777 62.100 -0.371 0.000 1.134 173 T CB -0.343 68.277 68.868 -0.413 0.000 0.884 173 T HN 0.239 8.479 8.240 -0.000 0.000 0.479 174 A N 1.976 124.711 122.820 -0.141 0.000 1.902 174 A HA 0.304 4.624 4.320 0.001 0.000 0.217 174 A C 2.842 180.317 177.584 -0.181 0.000 1.181 174 A CA 1.874 53.816 52.037 -0.159 0.000 0.623 174 A CB -1.452 17.431 19.000 -0.194 0.000 0.818 174 A HN 0.744 8.894 8.150 -0.000 0.000 0.443 175 A N -0.399 122.339 122.820 -0.137 0.000 1.877 175 A HA -0.170 4.151 4.320 0.001 0.000 0.216 175 A C 2.212 179.722 177.584 -0.124 0.000 1.186 175 A CA 1.534 53.500 52.037 -0.118 0.000 0.620 175 A CB -0.484 18.491 19.000 -0.041 0.000 0.822 175 A HN 0.400 8.550 8.150 -0.000 0.000 0.443 176 R N 0.157 120.574 120.500 -0.137 0.000 2.091 176 R HA -0.135 4.206 4.340 0.001 0.000 0.238 176 R C 1.497 177.727 176.300 -0.116 0.000 1.136 176 R CA 1.551 57.574 56.100 -0.130 0.000 0.959 176 R CB -1.000 29.198 30.300 -0.170 0.000 0.856 176 R HN 0.529 8.799 8.270 -0.000 0.000 0.437 177 D N 0.140 120.463 120.400 -0.128 0.000 2.182 177 D HA -0.119 4.522 4.640 0.001 0.000 0.201 177 D C 1.671 177.907 176.300 -0.106 0.000 0.986 177 D CA 1.447 55.380 54.000 -0.112 0.000 0.847 177 D CB 0.126 40.855 40.800 -0.119 0.000 0.942 177 D HN 0.272 8.642 8.370 -0.000 0.000 0.467 178 V N -4.306 115.537 119.914 -0.117 0.000 3.483 178 V HA 0.534 4.655 4.120 0.001 0.000 0.301 178 V C 1.316 177.353 176.094 -0.096 0.000 1.389 178 V CA 0.447 62.680 62.300 -0.112 0.000 1.101 178 V CB 0.207 31.948 31.823 -0.136 0.000 0.971 178 V HN 0.171 8.361 8.190 -0.000 0.000 0.434 179 G N 0.244 108.992 108.800 -0.088 0.000 2.143 179 G HA2 -0.095 3.865 3.960 0.001 0.000 0.248 179 G HA3 -0.095 3.865 3.960 0.001 0.000 0.248 179 G C 0.394 175.249 174.900 -0.074 0.000 0.991 179 G CA 0.429 45.486 45.100 -0.072 0.000 0.689 179 G HN 1.623 9.913 8.290 -0.000 0.000 0.522 180 A N -0.504 122.262 122.820 -0.090 0.000 2.287 180 A HA 0.783 5.104 4.320 0.001 0.000 0.273 180 A C 0.773 178.304 177.584 -0.089 0.000 1.091 180 A CA 0.157 52.139 52.037 -0.092 0.000 0.817 180 A CB 0.427 19.363 19.000 -0.108 0.000 1.069 180 A HN 0.747 8.897 8.150 -0.000 0.000 0.492 181 R N 0.833 121.272 120.500 -0.101 0.000 2.220 181 R HA 0.378 4.719 4.340 0.001 0.000 0.340 181 R C 0.185 176.391 176.300 -0.157 0.000 1.076 181 R CA 0.228 56.260 56.100 -0.114 0.000 0.920 181 R CB 0.081 30.313 30.300 -0.115 0.000 1.062 181 R HN 0.796 9.066 8.270 -0.000 0.000 0.469 182 G N 5.506 114.236 108.800 -0.117 0.000 2.325 182 G HA2 0.442 4.402 3.960 0.001 0.000 0.298 182 G HA3 0.442 4.402 3.960 0.001 0.000 0.298 182 G C -0.375 174.443 174.900 -0.137 0.000 1.134 182 G CA -0.585 44.448 45.100 -0.111 0.000 0.876 182 G HN 0.583 8.873 8.290 -0.000 0.000 0.452 183 I N 1.679 122.125 120.570 -0.207 0.000 2.436 183 I HA 0.360 4.530 4.170 0.001 0.000 0.289 183 I C 0.021 176.125 176.117 -0.022 0.000 1.010 183 I CA -1.048 60.175 61.300 -0.128 0.000 1.098 183 I CB 2.347 40.251 38.000 -0.159 0.000 1.266 183 I HN 0.382 8.592 8.210 -0.000 0.000 0.434 184 R N 6.127 126.631 120.500 0.008 0.000 2.349 184 R HA 0.603 4.944 4.340 0.001 0.000 0.299 184 R C -1.169 175.177 176.300 0.076 0.000 1.027 184 R CA -0.049 56.072 56.100 0.035 0.000 0.958 184 R CB 0.754 31.060 30.300 0.010 0.000 1.047 184 R HN 0.566 8.836 8.270 -0.000 0.000 0.468 185 I N 5.254 125.876 120.570 0.088 0.000 2.412 185 I HA 0.241 4.411 4.170 0.001 0.000 0.296 185 I C -0.206 175.973 176.117 0.103 0.000 0.987 185 I CA -0.952 60.408 61.300 0.101 0.000 1.180 185 I CB 1.582 39.641 38.000 0.098 0.000 1.340 185 I HN 0.458 8.668 8.210 -0.000 0.000 0.455 186 L N 6.043 127.339 121.223 0.121 0.000 2.410 186 L HA 0.270 4.611 4.340 0.001 0.000 0.273 186 L C 0.669 177.613 176.870 0.123 0.000 1.144 186 L CA -0.102 54.815 54.840 0.128 0.000 0.863 186 L CB 0.180 42.335 42.059 0.159 0.000 1.140 186 L HN 0.558 8.788 8.230 -0.000 0.000 0.463 187 R N 3.187 123.755 120.500 0.114 0.000 2.442 187 R HA 0.389 4.729 4.340 0.001 0.000 0.291 187 R C -0.040 176.352 176.300 0.153 0.000 1.069 187 R CA -0.438 55.743 56.100 0.135 0.000 1.022 187 R CB 0.810 31.165 30.300 0.091 0.000 0.976 187 R HN 0.745 9.015 8.270 -0.000 0.000 0.443 188 A N 2.914 125.863 122.820 0.214 0.000 2.483 188 A HA 0.028 4.349 4.320 0.001 0.000 0.238 188 A C 1.212 178.900 177.584 0.174 0.000 1.070 188 A CA 0.385 52.538 52.037 0.194 0.000 0.770 188 A CB 0.343 19.469 19.000 0.210 0.000 1.008 188 A HN 1.002 9.152 8.150 -0.000 0.000 0.497 189 S N 1.058 116.824 115.700 0.111 0.000 2.481 189 S HA -0.140 4.331 4.470 0.001 0.000 0.231 189 S C 0.970 175.623 174.600 0.089 0.000 0.996 189 S CA 0.955 59.205 58.200 0.084 0.000 0.942 189 S CB -0.433 62.798 63.200 0.052 0.000 0.768 189 S HN 0.903 9.213 8.310 -0.000 0.000 0.520 190 N N 1.481 120.252 118.700 0.119 0.000 2.336 190 N HA 0.131 4.872 4.740 0.001 0.000 0.189 190 N C 0.240 175.941 175.510 0.318 0.000 1.113 190 N CA 0.143 53.277 53.050 0.140 0.000 0.858 190 N CB -0.409 38.111 38.487 0.055 0.000 0.970 190 N HN 0.302 8.682 8.380 -0.000 0.000 0.471 191 S N 0.316 116.246 115.700 0.383 0.000 2.563 191 S HA 0.039 4.510 4.470 0.001 0.000 0.284 191 S C 1.324 175.988 174.600 0.107 0.000 1.331 191 S CA 0.215 58.566 58.200 0.251 0.000 1.047 191 S CB 0.353 63.676 63.200 0.205 0.000 0.859 191 S HN 0.522 8.832 8.310 -0.000 0.000 0.514 192 T N 2.170 116.750 114.554 0.044 0.000 3.129 192 T HA 0.071 4.422 4.350 0.001 0.000 0.251 192 T C 0.341 175.149 174.700 0.180 0.000 1.117 192 T CA 0.096 62.240 62.100 0.073 0.000 1.034 192 T CB -0.267 68.659 68.868 0.097 0.000 0.968 192 T HN 0.592 8.832 8.240 -0.000 0.000 0.526 193 Y N 3.145 123.443 120.300 -0.004 0.000 2.535 193 Y HA 0.504 5.056 4.550 0.004 0.000 0.349 193 Y C -0.299 175.615 175.900 0.024 0.000 0.992 193 Y CA -2.012 56.086 58.100 -0.002 0.000 1.248 193 Y CB -0.129 38.291 38.460 -0.066 0.000 1.124 193 Y HN -0.036 8.244 8.280 -0.000 0.000 0.520 194 K N 6.302 126.787 120.400 0.142 0.000 2.385 194 K HA 0.517 4.837 4.320 0.001 0.000 0.248 194 K C -2.396 174.202 176.600 -0.004 0.000 0.955 194 K CA -1.731 54.562 56.287 0.009 0.000 0.816 194 K CB 1.347 33.877 32.500 0.051 0.000 1.250 194 K HN 0.502 8.752 8.250 -0.000 0.000 0.434 195 P HA 0.274 4.694 4.420 -0.000 0.000 0.274 195 P C -0.203 177.030 177.300 -0.113 0.000 1.246 195 P CA -0.535 62.534 63.100 -0.052 0.000 0.795 195 P CB 0.570 32.250 31.700 -0.032 0.000 1.006 196 L N 1.977 123.160 121.223 -0.066 0.000 2.490 196 L HA 0.153 4.494 4.340 0.001 0.000 0.274 196 L C -1.712 175.116 176.870 -0.071 0.000 1.201 196 L CA -1.579 53.222 54.840 -0.065 0.000 0.869 196 L CB -0.622 41.432 42.059 -0.008 0.000 1.123 196 L HN 0.305 8.535 8.230 -0.000 0.000 0.484 197 P HA 0.050 4.470 4.420 -0.000 0.000 0.272 197 P C -0.920 176.359 177.300 -0.035 0.000 1.230 197 P CA -0.482 62.586 63.100 -0.054 0.000 0.788 197 P CB 0.408 32.090 31.700 -0.030 0.000 0.949 198 Q N 0.931 120.698 119.800 -0.054 0.000 2.534 198 Q HA 0.328 4.668 4.340 0.001 0.000 0.223 198 Q C -0.103 175.846 176.000 -0.086 0.000 1.239 198 Q CA -0.174 55.585 55.803 -0.074 0.000 0.936 198 Q CB -0.021 28.649 28.738 -0.114 0.000 1.457 198 Q HN 0.469 8.739 8.270 -0.000 0.000 0.547 199 A N 0.790 123.579 122.820 -0.053 0.000 2.548 199 A HA 0.382 4.702 4.320 0.001 0.000 0.247 199 A C 1.328 178.820 177.584 -0.153 0.000 1.067 199 A CA 0.948 52.943 52.037 -0.070 0.000 0.757 199 A CB -0.151 18.819 19.000 -0.049 0.000 0.996 199 A HN 0.925 9.075 8.150 -0.000 0.000 0.504 200 G N 0.934 109.649 108.800 -0.141 0.000 2.176 200 G HA2 0.019 3.979 3.960 0.001 0.000 0.232 200 G HA3 0.019 3.979 3.960 0.001 0.000 0.232 200 G C 1.046 175.848 174.900 -0.163 0.000 0.986 200 G CA 0.783 45.779 45.100 -0.174 0.000 0.643 200 G HN 2.034 10.324 8.290 -0.000 0.000 0.522 201 A N -0.577 122.094 122.820 -0.248 0.000 2.209 201 A HA 0.537 4.858 4.320 0.001 0.000 0.212 201 A C 1.430 178.661 177.584 -0.589 0.000 1.158 201 A CA 1.577 53.359 52.037 -0.425 0.000 0.742 201 A CB -0.418 18.260 19.000 -0.537 0.000 0.790 201 A HN 0.712 8.862 8.150 -0.000 0.000 0.472 202 F N -1.373 118.551 119.950 -0.043 0.000 2.661 202 F HA 0.397 4.925 4.527 0.003 0.000 0.306 202 F C 1.672 177.452 175.800 -0.033 0.000 1.094 202 F CA 0.126 58.106 58.000 -0.033 0.000 1.254 202 F CB 0.170 39.154 39.000 -0.027 0.000 1.040 202 F HN 0.265 8.565 8.300 -0.000 0.000 0.562 203 G N 0.655 109.491 108.800 0.059 0.000 2.148 203 G HA2 -0.274 3.687 3.960 0.001 0.000 0.254 203 G HA3 -0.274 3.687 3.960 0.001 0.000 0.254 203 G C 0.283 175.220 174.900 0.062 0.000 0.981 203 G CA 0.360 45.483 45.100 0.039 0.000 0.670 203 G HN 0.406 8.696 8.290 -0.000 0.000 0.528 204 E N 1.116 121.354 120.200 0.063 0.000 2.374 204 E HA 0.358 4.709 4.350 0.001 0.000 0.260 204 E C 0.096 176.668 176.600 -0.047 0.000 1.101 204 E CA -0.435 55.982 56.400 0.029 0.000 0.907 204 E CB 0.838 30.565 29.700 0.044 0.000 1.014 204 E HN 0.489 8.849 8.360 -0.000 0.000 0.427 205 E N 0.317 120.449 120.200 -0.113 0.000 2.413 205 E HA 0.218 4.569 4.350 0.001 0.000 0.263 205 E C -0.674 175.825 176.600 -0.169 0.000 1.015 205 E CA -0.169 56.076 56.400 -0.259 0.000 0.916 205 E CB 1.173 30.685 29.700 -0.312 0.000 0.947 205 E HN 0.267 8.627 8.360 -0.000 0.000 0.440 206 V N 4.535 124.326 119.914 -0.205 0.000 2.487 206 V HA 0.290 4.410 4.120 0.001 0.000 0.298 206 V C -0.010 176.153 176.094 0.115 0.000 1.028 206 V CA -0.739 61.478 62.300 -0.138 0.000 0.860 206 V CB 1.392 32.923 31.823 -0.486 0.000 0.991 206 V HN 0.552 8.742 8.190 -0.000 0.000 0.427 207 I N 4.919 125.595 120.570 0.177 0.000 2.471 207 I HA 0.189 4.360 4.170 0.001 0.000 0.286 207 I C 0.544 176.856 176.117 0.325 0.000 1.079 207 I CA -0.380 61.050 61.300 0.216 0.000 1.398 207 I CB 1.397 39.471 38.000 0.124 0.000 1.403 207 I HN 0.602 8.812 8.210 -0.000 0.000 0.530 208 V N 4.683 124.761 119.914 0.273 0.000 2.763 208 V HA 0.076 4.197 4.120 0.001 0.000 0.306 208 V C 0.832 176.897 176.094 -0.048 0.000 1.059 208 V CA -0.619 61.706 62.300 0.042 0.000 1.138 208 V CB 0.382 32.143 31.823 -0.104 0.000 0.940 208 V HN 1.021 9.211 8.190 -0.000 0.000 0.489 209 N N 1.717 120.343 118.700 -0.124 0.000 2.714 209 N HA -0.191 4.550 4.740 0.001 0.000 0.250 209 N C 0.916 176.243 175.510 -0.306 0.000 1.117 209 N CA 1.398 54.347 53.050 -0.168 0.000 0.719 209 N CB -1.845 36.544 38.487 -0.163 0.000 1.081 209 N HN 1.291 9.671 8.380 -0.000 0.000 0.557 210 S N -0.740 114.889 115.700 -0.118 0.000 2.634 210 S HA 0.012 4.483 4.470 0.001 0.000 0.221 210 S C 1.364 175.931 174.600 -0.055 0.000 0.952 210 S CA -0.005 58.131 58.200 -0.107 0.000 0.930 210 S CB 0.281 63.493 63.200 0.019 0.000 0.780 210 S HN 0.424 8.734 8.310 -0.000 0.000 0.498 211 E N 1.210 121.391 120.200 -0.031 0.000 2.482 211 E HA -0.025 4.326 4.350 0.001 0.000 0.196 211 E C 0.284 176.971 176.600 0.146 0.000 1.047 211 E CA 0.136 56.592 56.400 0.092 0.000 0.869 211 E CB -0.540 29.246 29.700 0.144 0.000 0.836 211 E HN 0.862 9.222 8.360 -0.000 0.000 0.520 212 Y N 0.000 120.326 120.300 0.044 0.000 2.660 212 Y HA 0.000 4.545 4.550 -0.008 0.000 0.201 212 Y CA 0.000 58.115 58.100 0.024 0.000 1.940 212 Y CB 0.000 38.452 38.460 -0.014 0.000 1.050 212 Y HN 0.000 8.280 8.280 -0.000 0.000 0.758