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 3ggs_1_C DATA FIRST_RESID 3 DATA SEQUENCE NGYTYEDYKN TAEWLLSHTK HRPQVAIICG SGLGGLTDKL TQAQIFDYGE DATA SEQUENCE IPNFPRSTXX XXAGRLVFGF LNGRACVMMQ GRFHMYEGYP LWKVTFPVRV DATA SEQUENCE FHLLGVDTLV VTNAAGGLNP KFEVGDIMLI RDHINLPGFS GQNPLRGPND DATA SEQUENCE ERFGDRFPAM SDAYDRTMRQ RALSTWKQMG EQRELQEGTY VMVAGPSFQT DATA SEQUENCE VAECRVLQKL GADAVGMSTV PEVIVARHCG LRVFGFSLIT DKVIMDYESL DATA SEQUENCE EKANHEEVLA AGKQAAQKLE QFVSILMASI PLP 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 3 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 3 N C 0.000 174.813 175.510 -1.161 0.000 1.280 3 N CA 0.000 52.691 53.050 -0.598 0.000 0.885 3 N CB 0.000 38.199 38.487 -0.479 0.000 1.341 4 G N 1.524 109.539 108.800 -1.308 0.000 2.866 4 G HA2 -0.304 3.643 3.960 -0.021 0.000 0.274 4 G HA3 -0.304 3.643 3.960 -0.021 0.000 0.274 4 G C -1.200 173.117 174.900 -0.971 0.000 1.413 4 G CA 0.101 44.098 45.100 -1.838 0.000 0.997 4 G HN 0.471 8.761 8.290 -0.000 0.000 0.559 5 Y N 1.800 121.826 120.300 -0.456 0.000 2.341 5 Y HA 0.706 5.245 4.550 -0.019 0.000 0.337 5 Y C 1.035 176.873 175.900 -0.103 0.000 1.014 5 Y CA 0.060 57.987 58.100 -0.288 0.000 1.111 5 Y CB 1.954 40.171 38.460 -0.405 0.000 1.194 5 Y HN 0.533 8.813 8.280 -0.000 0.000 0.462 6 T N 1.840 116.454 114.554 0.099 0.000 2.902 6 T HA 0.049 4.386 4.350 -0.021 0.000 0.280 6 T C 0.872 175.781 174.700 0.349 0.000 0.992 6 T CA -0.196 62.023 62.100 0.197 0.000 1.015 6 T CB 0.430 69.366 68.868 0.113 0.000 1.044 6 T HN 0.679 8.919 8.240 -0.000 0.000 0.520 7 Y N 1.356 121.838 120.300 0.303 0.000 2.207 7 Y HA -0.120 4.419 4.550 -0.019 0.000 0.287 7 Y C 2.362 178.407 175.900 0.242 0.000 1.156 7 Y CA 2.192 60.489 58.100 0.327 0.000 1.182 7 Y CB -0.016 38.487 38.460 0.073 0.000 0.979 7 Y HN 0.823 9.103 8.280 -0.000 0.000 0.521 8 E N -0.170 120.119 120.200 0.148 0.000 2.058 8 E HA -0.244 4.093 4.350 -0.021 0.000 0.194 8 E C 1.808 178.416 176.600 0.013 0.000 0.997 8 E CA 1.485 57.910 56.400 0.042 0.000 0.801 8 E CB -0.114 29.636 29.700 0.082 0.000 0.746 8 E HN 0.592 8.952 8.360 -0.000 0.000 0.450 9 D N -0.213 120.208 120.400 0.034 0.000 2.104 9 D HA -0.192 4.436 4.640 -0.021 0.000 0.194 9 D C 1.884 178.176 176.300 -0.014 0.000 0.994 9 D CA 1.229 55.229 54.000 0.000 0.000 0.830 9 D CB -0.522 40.277 40.800 -0.003 0.000 0.959 9 D HN 0.283 8.653 8.370 -0.000 0.000 0.452 10 Y N 1.262 121.591 120.300 0.049 0.000 2.128 10 Y HA -0.194 4.343 4.550 -0.023 0.000 0.284 10 Y C 2.574 178.408 175.900 -0.110 0.000 1.154 10 Y CA 1.272 59.330 58.100 -0.071 0.000 1.149 10 Y CB -0.423 38.036 38.460 -0.002 0.000 0.976 10 Y HN -0.088 8.192 8.280 -0.000 0.000 0.505 11 K N 0.123 120.501 120.400 -0.037 0.000 2.097 11 K HA -0.167 4.140 4.320 -0.021 0.000 0.206 11 K C 1.712 178.319 176.600 0.011 0.000 1.049 11 K CA 1.501 57.731 56.287 -0.096 0.000 0.933 11 K CB -0.054 32.300 32.500 -0.244 0.000 0.717 11 K HN 0.243 8.493 8.250 -0.000 0.000 0.442 12 N N 0.056 118.779 118.700 0.037 0.000 2.106 12 N HA -0.114 4.614 4.740 -0.021 0.000 0.188 12 N C 1.668 177.263 175.510 0.140 0.000 1.029 12 N CA 1.784 54.886 53.050 0.086 0.000 0.848 12 N CB -0.695 37.834 38.487 0.071 0.000 1.007 12 N HN 0.200 8.580 8.380 -0.000 0.000 0.423 13 T N 1.474 116.105 114.554 0.129 0.000 2.684 13 T HA -0.104 4.233 4.350 -0.021 0.000 0.267 13 T C 2.031 176.853 174.700 0.204 0.000 1.036 13 T CA 1.539 63.748 62.100 0.181 0.000 1.148 13 T CB -0.410 68.604 68.868 0.243 0.000 0.863 13 T HN 0.353 8.593 8.240 -0.000 0.000 0.436 14 A N 1.620 124.522 122.820 0.136 0.000 1.883 14 A HA -0.177 4.130 4.320 -0.021 0.000 0.217 14 A C 2.220 179.879 177.584 0.126 0.000 1.186 14 A CA 1.861 53.971 52.037 0.122 0.000 0.624 14 A CB -0.625 18.417 19.000 0.071 0.000 0.822 14 A HN 0.592 8.742 8.150 -0.000 0.000 0.444 15 E N -1.908 118.365 120.200 0.122 0.000 2.106 15 E HA -0.209 4.128 4.350 -0.021 0.000 0.192 15 E C 1.727 178.421 176.600 0.156 0.000 0.984 15 E CA 1.051 57.516 56.400 0.109 0.000 0.806 15 E CB -0.237 29.521 29.700 0.096 0.000 0.750 15 E HN 0.828 9.188 8.360 -0.000 0.000 0.458 16 W N 1.555 122.878 121.300 0.040 0.000 2.333 16 W HA -0.223 4.422 4.660 -0.024 0.000 0.316 16 W C 1.725 178.270 176.519 0.043 0.000 1.215 16 W CA 1.562 58.938 57.345 0.051 0.000 1.278 16 W CB -0.254 29.167 29.460 -0.064 0.000 1.154 16 W HN -0.028 8.152 8.180 -0.000 0.000 0.486 17 L N -0.269 121.074 121.223 0.200 0.000 2.017 17 L HA -0.274 4.053 4.340 -0.021 0.000 0.208 17 L C 2.433 179.193 176.870 -0.184 0.000 1.073 17 L CA 0.840 55.617 54.840 -0.105 0.000 0.745 17 L CB -1.227 40.839 42.059 0.011 0.000 0.894 17 L HN 0.054 8.284 8.230 -0.000 0.000 0.432 18 L N -0.017 121.170 121.223 -0.061 0.000 2.042 18 L HA -0.191 4.136 4.340 -0.021 0.000 0.210 18 L C 2.707 179.514 176.870 -0.105 0.000 1.076 18 L CA 2.167 56.965 54.840 -0.070 0.000 0.749 18 L CB -1.160 40.890 42.059 -0.014 0.000 0.893 18 L HN 0.393 8.623 8.230 -0.000 0.000 0.432 19 S N -2.999 112.641 115.700 -0.100 0.000 2.603 19 S HA -0.027 4.430 4.470 -0.021 0.000 0.220 19 S C 1.103 175.470 174.600 -0.388 0.000 0.967 19 S CA 0.191 58.284 58.200 -0.179 0.000 0.920 19 S CB -0.504 62.617 63.200 -0.131 0.000 0.773 19 S HN 0.527 8.837 8.310 -0.000 0.000 0.529 20 H N 0.352 119.165 119.070 -0.429 0.000 2.785 20 H HA 0.458 4.996 4.556 -0.031 0.000 0.268 20 H C 0.002 175.249 175.328 -0.136 0.000 1.153 20 H CA 0.147 55.947 56.048 -0.413 0.000 1.111 20 H CB 1.103 30.328 29.762 -0.895 0.000 1.633 20 H HN 0.387 8.667 8.280 -0.000 0.000 0.576 21 T N -0.483 114.010 114.554 -0.102 0.000 2.932 21 T HA 0.233 4.571 4.350 -0.021 0.000 0.318 21 T C 0.317 174.945 174.700 -0.121 0.000 1.265 21 T CA -0.806 61.245 62.100 -0.081 0.000 1.036 21 T CB 1.130 69.898 68.868 -0.167 0.000 1.209 21 T HN 0.327 8.567 8.240 -0.000 0.000 0.484 22 K N 1.891 122.216 120.400 -0.125 0.000 2.418 22 K HA 0.145 4.452 4.320 -0.021 0.000 0.195 22 K C 0.626 177.124 176.600 -0.172 0.000 1.035 22 K CA 0.633 56.829 56.287 -0.152 0.000 1.003 22 K CB -0.082 32.318 32.500 -0.167 0.000 0.793 22 K HN 0.546 8.796 8.250 -0.000 0.000 0.494 23 H N 1.939 120.943 119.070 -0.110 0.000 2.764 23 H HA 0.184 4.704 4.556 -0.059 0.000 0.341 23 H C -0.283 175.008 175.328 -0.063 0.000 1.072 23 H CA 0.130 56.119 56.048 -0.099 0.000 1.444 23 H CB 0.708 30.393 29.762 -0.128 0.000 1.458 23 H HN 0.050 8.330 8.280 -0.000 0.000 0.572 24 R N 4.122 124.693 120.500 0.118 0.000 2.407 24 R HA 0.256 4.583 4.340 -0.021 0.000 0.298 24 R C -2.651 173.722 176.300 0.123 0.000 1.166 24 R CA -1.785 54.377 56.100 0.103 0.000 1.006 24 R CB 1.547 31.889 30.300 0.069 0.000 1.145 24 R HN 0.519 8.789 8.270 -0.000 0.000 0.538 25 P HA 0.232 4.652 4.420 -0.000 0.000 0.288 25 P C -0.088 177.244 177.300 0.053 0.000 1.267 25 P CA -0.426 62.725 63.100 0.085 0.000 0.815 25 P CB 1.871 33.613 31.700 0.070 0.000 0.989 26 Q N 1.484 121.310 119.800 0.044 0.000 2.259 26 Q HA 0.106 4.433 4.340 -0.021 0.000 0.201 26 Q C -0.128 175.882 176.000 0.016 0.000 0.938 26 Q CA 0.845 56.674 55.803 0.042 0.000 0.872 26 Q CB 0.530 29.306 28.738 0.063 0.000 0.971 26 Q HN 0.298 8.568 8.270 -0.000 0.000 0.494 27 V N 1.058 120.961 119.914 -0.018 0.000 2.555 27 V HA 0.664 4.771 4.120 -0.021 0.000 0.302 27 V C -0.608 175.384 176.094 -0.169 0.000 1.038 27 V CA -0.687 61.584 62.300 -0.049 0.000 0.887 27 V CB 1.484 33.302 31.823 -0.008 0.000 0.991 27 V HN 0.239 8.429 8.190 -0.000 0.000 0.434 28 A N 5.406 128.090 122.820 -0.226 0.000 2.342 28 A HA 0.924 5.231 4.320 -0.021 0.000 0.323 28 A C -0.855 176.552 177.584 -0.294 0.000 1.125 28 A CA -0.540 51.238 52.037 -0.432 0.000 0.785 28 A CB 0.886 19.453 19.000 -0.721 0.000 1.221 28 A HN 0.766 8.916 8.150 -0.000 0.000 0.463 29 I N 3.136 123.529 120.570 -0.296 0.000 2.439 29 I HA 0.297 4.454 4.170 -0.021 0.000 0.283 29 I C -0.910 175.128 176.117 -0.133 0.000 1.023 29 I CA -0.146 61.042 61.300 -0.187 0.000 1.100 29 I CB 1.630 39.538 38.000 -0.152 0.000 1.238 29 I HN 0.501 8.711 8.210 -0.000 0.000 0.445 30 I N 5.809 126.336 120.570 -0.072 0.000 2.287 30 I HA 0.233 4.390 4.170 -0.021 0.000 0.290 30 I C -0.081 176.019 176.117 -0.028 0.000 1.069 30 I CA -0.391 60.898 61.300 -0.018 0.000 1.237 30 I CB 0.525 38.534 38.000 0.015 0.000 1.418 30 I HN 0.571 8.781 8.210 -0.000 0.000 0.481 31 C N 4.931 124.219 119.300 -0.021 0.000 2.452 31 C HA 0.614 5.061 4.460 -0.021 0.000 0.379 31 C C 1.346 176.348 174.990 0.019 0.000 1.275 31 C CA -0.717 58.299 59.018 -0.003 0.000 2.056 31 C CB 0.034 27.771 27.740 -0.005 0.000 2.506 31 C HN 0.897 9.127 8.230 -0.000 0.000 0.560 32 G N 1.225 110.051 108.800 0.043 0.000 2.494 32 G HA2 0.390 4.337 3.960 -0.021 0.000 0.270 32 G HA3 0.390 4.337 3.960 -0.021 0.000 0.270 32 G C -0.049 174.913 174.900 0.102 0.000 1.423 32 G CA -0.310 44.842 45.100 0.087 0.000 1.055 32 G HN 0.808 9.098 8.290 -0.000 0.000 0.536 33 S N -0.681 115.105 115.700 0.143 0.000 2.515 33 S HA 0.404 4.862 4.470 -0.021 0.000 0.285 33 S C 1.346 176.002 174.600 0.093 0.000 1.265 33 S CA 1.068 59.346 58.200 0.130 0.000 1.079 33 S CB -0.297 62.993 63.200 0.150 0.000 0.877 33 S HN 2.062 10.371 8.310 -0.000 0.000 0.493 34 G N 3.850 112.693 108.800 0.072 0.000 2.153 34 G HA2 -0.202 3.745 3.960 -0.021 0.000 0.252 34 G HA3 -0.202 3.745 3.960 -0.021 0.000 0.252 34 G C 0.237 175.166 174.900 0.048 0.000 0.994 34 G CA 0.472 45.605 45.100 0.056 0.000 0.698 34 G HN 0.741 9.031 8.290 -0.000 0.000 0.521 35 L N -0.271 120.979 121.223 0.046 0.000 3.267 35 L HA 0.442 4.769 4.340 -0.021 0.000 0.289 35 L C 1.963 178.845 176.870 0.020 0.000 1.260 35 L CA 0.456 55.317 54.840 0.036 0.000 1.034 35 L CB 0.727 42.812 42.059 0.044 0.000 1.413 35 L HN 0.194 8.424 8.230 -0.000 0.000 0.594 36 G N -0.675 108.134 108.800 0.015 0.000 3.088 36 G HA2 0.051 3.998 3.960 -0.021 0.000 0.217 36 G HA3 0.051 3.998 3.960 -0.021 0.000 0.217 36 G C 1.390 176.287 174.900 -0.005 0.000 1.159 36 G CA 0.564 45.664 45.100 -0.000 0.000 0.760 36 G HN 0.382 8.672 8.290 -0.000 0.000 0.550 37 G N 1.114 109.915 108.800 0.003 0.000 2.479 37 G HA2 -0.189 3.758 3.960 -0.021 0.000 0.220 37 G HA3 -0.189 3.758 3.960 -0.021 0.000 0.220 37 G C 1.593 176.492 174.900 -0.002 0.000 1.115 37 G CA 0.647 45.748 45.100 0.002 0.000 0.757 37 G HN 0.361 8.651 8.290 -0.000 0.000 0.560 38 L N 1.906 123.127 121.223 -0.004 0.000 2.189 38 L HA -0.101 4.226 4.340 -0.021 0.000 0.214 38 L C 3.159 180.018 176.870 -0.018 0.000 1.097 38 L CA 2.339 57.174 54.840 -0.009 0.000 0.764 38 L CB -0.808 41.242 42.059 -0.015 0.000 0.900 38 L HN 0.419 8.649 8.230 -0.000 0.000 0.436 39 T N -5.203 109.335 114.554 -0.026 0.000 3.007 39 T HA -0.126 4.211 4.350 -0.021 0.000 0.270 39 T C 1.460 176.147 174.700 -0.022 0.000 1.107 39 T CA 1.113 63.191 62.100 -0.036 0.000 1.118 39 T CB -0.438 68.403 68.868 -0.045 0.000 0.889 39 T HN 0.292 8.532 8.240 -0.000 0.000 0.506 40 D N 1.554 121.947 120.400 -0.011 0.000 2.277 40 D HA 0.047 4.674 4.640 -0.021 0.000 0.208 40 D C 1.773 178.077 176.300 0.006 0.000 0.962 40 D CA 0.702 54.701 54.000 -0.002 0.000 0.865 40 D CB -0.084 40.716 40.800 0.000 0.000 0.939 40 D HN 0.500 8.870 8.370 -0.000 0.000 0.510 41 K N 0.099 120.504 120.400 0.008 0.000 2.444 41 K HA 0.156 4.463 4.320 -0.021 0.000 0.193 41 K C 0.420 177.038 176.600 0.031 0.000 1.024 41 K CA -0.065 56.234 56.287 0.019 0.000 1.077 41 K CB 0.567 33.078 32.500 0.019 0.000 0.833 41 K HN 0.090 8.340 8.250 -0.000 0.000 0.517 42 L N 2.445 123.681 121.223 0.021 0.000 2.319 42 L HA 0.085 4.412 4.340 -0.021 0.000 0.280 42 L C 0.636 177.547 176.870 0.068 0.000 1.099 42 L CA -0.384 54.475 54.840 0.033 0.000 0.828 42 L CB 0.896 42.944 42.059 -0.019 0.000 1.150 42 L HN 0.143 8.373 8.230 -0.000 0.000 0.442 43 T N -0.004 114.632 114.554 0.137 0.000 2.899 43 T HA 0.192 4.530 4.350 -0.021 0.000 0.284 43 T C 0.340 175.194 174.700 0.257 0.000 1.004 43 T CA -0.738 61.471 62.100 0.182 0.000 1.043 43 T CB 1.453 70.444 68.868 0.205 0.000 1.013 43 T HN 0.605 8.845 8.240 -0.000 0.000 0.518 44 Q N -1.746 118.198 119.800 0.240 0.000 2.480 44 Q HA -0.202 4.125 4.340 -0.021 0.000 0.265 44 Q C 0.395 176.539 176.000 0.241 0.000 1.072 44 Q CA 0.874 56.853 55.803 0.294 0.000 1.018 44 Q CB -2.585 26.471 28.738 0.529 0.000 1.433 44 Q HN 1.141 9.411 8.270 -0.000 0.000 0.513 45 A N 0.871 123.754 122.820 0.105 0.000 2.511 45 A HA 0.294 4.601 4.320 -0.021 0.000 0.242 45 A C 0.345 177.945 177.584 0.027 0.000 1.069 45 A CA 0.373 52.415 52.037 0.010 0.000 0.763 45 A CB 0.435 19.433 19.000 -0.004 0.000 1.001 45 A HN 0.307 8.457 8.150 -0.000 0.000 0.498 46 Q N 1.838 121.637 119.800 -0.002 0.000 2.290 46 Q HA 0.574 4.901 4.340 -0.021 0.000 0.269 46 Q C -1.555 174.448 176.000 0.006 0.000 1.016 46 Q CA -0.334 55.470 55.803 0.002 0.000 0.754 46 Q CB 1.192 29.982 28.738 0.087 0.000 1.247 46 Q HN 0.744 9.014 8.270 -0.000 0.000 0.451 47 I N 3.409 123.884 120.570 -0.159 0.000 2.392 47 I HA 0.428 4.585 4.170 -0.021 0.000 0.295 47 I C -0.912 175.020 176.117 -0.308 0.000 0.985 47 I CA -0.546 60.689 61.300 -0.109 0.000 1.221 47 I CB 0.992 38.938 38.000 -0.089 0.000 1.366 47 I HN 0.505 8.715 8.210 -0.000 0.000 0.467 48 F N 3.315 123.326 119.950 0.102 0.000 2.539 48 F HA 0.320 4.884 4.527 0.061 0.000 0.328 48 F C 0.010 175.796 175.800 -0.023 0.000 1.148 48 F CA -0.960 57.103 58.000 0.105 0.000 0.940 48 F CB 1.172 40.306 39.000 0.224 0.000 1.194 48 F HN 0.363 8.663 8.300 -0.000 0.000 0.438 49 D N 1.991 122.447 120.400 0.092 0.000 2.399 49 D HA -0.025 4.602 4.640 -0.021 0.000 0.241 49 D C 0.919 177.225 176.300 0.010 0.000 1.133 49 D CA 0.239 54.211 54.000 -0.046 0.000 0.890 49 D CB 0.798 41.585 40.800 -0.021 0.000 1.201 49 D HN 0.423 8.793 8.370 -0.000 0.000 0.432 50 Y N 0.991 121.274 120.300 -0.029 0.000 2.224 50 Y HA -0.075 4.465 4.550 -0.017 0.000 0.289 50 Y C 2.521 178.405 175.900 -0.026 0.000 1.146 50 Y CA 1.052 59.093 58.100 -0.099 0.000 1.182 50 Y CB -0.970 37.583 38.460 0.156 0.000 0.983 50 Y HN 0.539 8.819 8.280 -0.000 0.000 0.524 51 G N -0.653 108.252 108.800 0.175 0.000 2.498 51 G HA2 -0.243 3.704 3.960 -0.021 0.000 0.219 51 G HA3 -0.243 3.704 3.960 -0.021 0.000 0.219 51 G C 1.584 176.492 174.900 0.013 0.000 1.119 51 G CA 0.795 45.954 45.100 0.097 0.000 0.766 51 G HN 0.443 8.733 8.290 -0.000 0.000 0.552 52 E N -0.649 119.554 120.200 0.004 0.000 2.216 52 E HA 0.078 4.416 4.350 -0.021 0.000 0.192 52 E C 0.464 176.849 176.600 -0.357 0.000 0.988 52 E CA -0.089 56.286 56.400 -0.042 0.000 0.834 52 E CB 0.011 29.799 29.700 0.147 0.000 0.772 52 E HN 0.398 8.758 8.360 -0.000 0.000 0.479 53 I N 2.415 122.771 120.570 -0.356 0.000 2.342 53 I HA 0.184 4.341 4.170 -0.021 0.000 0.291 53 I C -2.247 173.633 176.117 -0.395 0.000 1.010 53 I CA -2.485 58.449 61.300 -0.611 0.000 1.308 53 I CB 1.086 38.862 38.000 -0.373 0.000 1.400 53 I HN -0.206 8.004 8.210 -0.000 0.000 0.488 54 P HA -0.004 4.416 4.420 -0.000 0.000 0.262 54 P C -0.139 177.113 177.300 -0.080 0.000 1.182 54 P CA 0.593 63.519 63.100 -0.289 0.000 0.761 54 P CB 0.134 31.642 31.700 -0.320 0.000 0.795 55 N N -1.271 117.377 118.700 -0.086 0.000 2.900 55 N HA -0.247 4.480 4.740 -0.021 0.000 0.240 55 N C -0.182 175.071 175.510 -0.429 0.000 0.953 55 N CA 0.042 52.999 53.050 -0.155 0.000 0.950 55 N CB -1.666 36.729 38.487 -0.153 0.000 1.102 55 N HN 0.317 8.697 8.380 -0.000 0.000 0.593 56 F N 1.726 121.465 119.950 -0.353 0.000 2.459 56 F HA 0.268 4.790 4.527 -0.008 0.000 0.346 56 F C -1.674 173.917 175.800 -0.348 0.000 1.128 56 F CA -1.628 56.143 58.000 -0.381 0.000 1.268 56 F CB 0.536 39.484 39.000 -0.087 0.000 1.161 56 F HN -0.204 8.096 8.300 -0.000 0.000 0.583 57 P HA 0.101 4.521 4.420 -0.000 0.000 0.271 57 P C -1.059 176.243 177.300 0.003 0.000 1.220 57 P CA -0.189 62.661 63.100 -0.417 0.000 0.768 57 P CB 0.450 31.456 31.700 -1.156 0.000 0.848 58 R N 1.730 122.292 120.500 0.103 0.000 2.316 58 R HA 0.142 4.470 4.340 -0.021 0.000 0.314 58 R C 0.509 177.047 176.300 0.398 0.000 1.069 58 R CA -0.162 56.093 56.100 0.259 0.000 0.959 58 R CB -0.075 30.326 30.300 0.167 0.000 0.987 58 R HN 0.340 8.610 8.270 -0.000 0.000 0.446 59 S N 2.885 118.902 115.700 0.529 0.000 2.962 59 S HA 0.061 4.518 4.470 -0.021 0.000 0.320 59 S C 0.036 174.859 174.600 0.372 0.000 1.186 59 S CA -0.223 58.306 58.200 0.548 0.000 1.180 59 S CB -0.460 63.017 63.200 0.461 0.000 1.491 59 S HN 0.618 8.928 8.310 -0.000 0.000 0.556 66 G N 0.797 109.484 108.800 -0.188 0.000 2.609 66 G HA2 0.648 4.595 3.960 -0.021 0.000 0.308 66 G HA3 0.648 4.595 3.960 -0.021 0.000 0.308 66 G C -0.491 173.703 174.900 -1.176 0.000 1.369 66 G CA -0.572 44.196 45.100 -0.553 0.000 0.958 66 G HN 0.830 9.120 8.290 -0.000 0.000 0.499 67 R N 0.933 120.868 120.500 -0.941 0.000 2.867 67 R HA 0.812 5.139 4.340 -0.021 0.000 0.268 67 R C -1.926 174.187 176.300 -0.311 0.000 1.014 67 R CA -1.032 54.688 56.100 -0.634 0.000 0.946 67 R CB 1.771 31.912 30.300 -0.265 0.000 1.208 67 R HN 0.336 8.606 8.270 -0.000 0.000 0.477 68 L N 1.334 122.530 121.223 -0.045 0.000 2.341 68 L HA 0.520 4.847 4.340 -0.021 0.000 0.278 68 L C -1.237 175.671 176.870 0.063 0.000 1.005 68 L CA -0.674 54.212 54.840 0.076 0.000 0.818 68 L CB 2.295 44.460 42.059 0.177 0.000 1.259 68 L HN 0.550 8.780 8.230 -0.000 0.000 0.418 69 V N 4.464 124.306 119.914 -0.119 0.000 2.531 69 V HA 0.510 4.617 4.120 -0.021 0.000 0.301 69 V C -0.691 175.222 176.094 -0.301 0.000 1.034 69 V CA -0.663 61.586 62.300 -0.086 0.000 0.865 69 V CB 1.561 33.331 31.823 -0.088 0.000 0.995 69 V HN 0.420 8.610 8.190 -0.000 0.000 0.424 70 F N 2.195 122.051 119.950 -0.157 0.000 2.450 70 F HA 0.954 5.453 4.527 -0.046 0.000 0.332 70 F C 0.827 176.222 175.800 -0.674 0.000 1.093 70 F CA 0.024 57.785 58.000 -0.398 0.000 1.003 70 F CB 2.269 41.011 39.000 -0.431 0.000 1.151 70 F HN 0.791 9.091 8.300 -0.000 0.000 0.474 71 G N 0.975 109.430 108.800 -0.575 0.000 2.315 71 G HA2 0.390 4.337 3.960 -0.021 0.000 0.294 71 G HA3 0.390 4.337 3.960 -0.021 0.000 0.294 71 G C -2.240 172.376 174.900 -0.473 0.000 1.300 71 G CA -1.039 43.745 45.100 -0.528 0.000 0.843 71 G HN 0.248 8.538 8.290 -0.000 0.000 0.527 72 F N -0.146 119.847 119.950 0.071 0.000 2.420 72 F HA 0.712 5.225 4.527 -0.022 0.000 0.342 72 F C 0.150 175.968 175.800 0.029 0.000 1.113 72 F CA -0.815 57.224 58.000 0.065 0.000 1.059 72 F CB 1.979 41.030 39.000 0.085 0.000 1.128 72 F HN 0.328 8.628 8.300 -0.000 0.000 0.475 73 L N 4.497 125.821 121.223 0.169 0.000 2.319 73 L HA 0.449 4.776 4.340 -0.021 0.000 0.281 73 L C 0.121 177.056 176.870 0.108 0.000 1.005 73 L CA -0.494 54.407 54.840 0.103 0.000 0.828 73 L CB 0.760 42.844 42.059 0.042 0.000 1.227 73 L HN 0.664 8.894 8.230 -0.000 0.000 0.415 74 N N 4.328 123.082 118.700 0.091 0.000 2.714 74 N HA -0.196 4.531 4.740 -0.021 0.000 0.252 74 N C 0.842 176.398 175.510 0.076 0.000 1.014 74 N CA 1.557 54.649 53.050 0.069 0.000 0.735 74 N CB -0.947 37.573 38.487 0.055 0.000 0.924 74 N HN 1.297 9.677 8.380 -0.000 0.000 0.540 75 G N -1.180 107.677 108.800 0.094 0.000 2.143 75 G HA2 -0.292 3.655 3.960 -0.021 0.000 0.249 75 G HA3 -0.292 3.655 3.960 -0.021 0.000 0.249 75 G C -0.235 174.750 174.900 0.142 0.000 0.981 75 G CA 0.438 45.582 45.100 0.074 0.000 0.665 75 G HN 0.516 8.806 8.290 -0.000 0.000 0.528 76 R N -0.004 120.627 120.500 0.218 0.000 2.561 76 R HA 0.719 5.047 4.340 -0.021 0.000 0.297 76 R C 0.232 176.710 176.300 0.295 0.000 0.969 76 R CA -0.213 56.022 56.100 0.225 0.000 0.879 76 R CB 1.493 31.869 30.300 0.127 0.000 1.178 76 R HN 0.736 9.006 8.270 -0.000 0.000 0.445 77 A N 2.666 125.665 122.820 0.297 0.000 2.476 77 A HA 0.306 4.613 4.320 -0.021 0.000 0.275 77 A C -0.035 177.534 177.584 -0.026 0.000 1.133 77 A CA -0.029 52.050 52.037 0.070 0.000 0.797 77 A CB -0.271 18.819 19.000 0.150 0.000 1.081 77 A HN 0.694 8.844 8.150 -0.000 0.000 0.510 78 C N 1.533 120.753 119.300 -0.134 0.000 2.562 78 C HA 0.722 5.169 4.460 -0.021 0.000 0.332 78 C C 0.169 174.991 174.990 -0.280 0.000 1.201 78 C CA -0.573 58.343 59.018 -0.169 0.000 1.803 78 C CB 1.591 29.240 27.740 -0.152 0.000 2.328 78 C HN 0.763 8.993 8.230 -0.000 0.000 0.500 79 V N 3.850 123.517 119.914 -0.412 0.000 2.444 79 V HA 0.643 4.750 4.120 -0.021 0.000 0.294 79 V C -0.717 175.018 176.094 -0.598 0.000 1.022 79 V CA -0.234 61.636 62.300 -0.717 0.000 0.850 79 V CB 1.419 32.702 31.823 -0.901 0.000 0.992 79 V HN 0.952 9.142 8.190 -0.000 0.000 0.426 80 M N 6.913 126.227 119.600 -0.477 0.000 2.364 80 M HA 0.594 5.061 4.480 -0.021 0.000 0.334 80 M C -0.770 175.422 176.300 -0.179 0.000 1.107 80 M CA -0.447 54.683 55.300 -0.283 0.000 0.988 80 M CB 1.841 34.322 32.600 -0.198 0.000 1.673 80 M HN 0.751 9.041 8.290 -0.000 0.000 0.441 81 M N 4.193 123.749 119.600 -0.075 0.000 2.072 81 M HA 0.352 4.820 4.480 -0.021 0.000 0.331 81 M C -1.354 174.958 176.300 0.019 0.000 1.004 81 M CA -0.291 55.048 55.300 0.065 0.000 0.952 81 M CB 1.096 33.810 32.600 0.189 0.000 1.511 81 M HN 0.662 8.952 8.290 -0.000 0.000 0.422 82 Q N 3.479 123.277 119.800 -0.003 0.000 2.325 82 Q HA 0.566 4.894 4.340 -0.021 0.000 0.262 82 Q C -0.154 175.822 176.000 -0.039 0.000 0.968 82 Q CA 0.081 55.866 55.803 -0.031 0.000 0.877 82 Q CB 1.598 30.302 28.738 -0.056 0.000 1.253 82 Q HN 1.029 9.299 8.270 -0.000 0.000 0.448 83 G N 3.467 112.256 108.800 -0.018 0.000 2.799 83 G HA2 -0.238 3.709 3.960 -0.021 0.000 0.271 83 G HA3 -0.238 3.709 3.960 -0.021 0.000 0.271 83 G C -0.433 174.405 174.900 -0.104 0.000 1.067 83 G CA 0.099 45.186 45.100 -0.021 0.000 1.251 83 G HN 0.724 9.014 8.290 -0.000 0.000 0.560 84 R N -0.196 120.215 120.500 -0.149 0.000 2.649 84 R HA 0.769 5.096 4.340 -0.021 0.000 0.270 84 R C -0.159 175.818 176.300 -0.538 0.000 1.105 84 R CA -0.544 55.337 56.100 -0.365 0.000 1.193 84 R CB 0.476 30.613 30.300 -0.272 0.000 1.120 84 R HN 0.141 8.411 8.270 -0.000 0.000 0.561 85 F N -0.420 119.337 119.950 -0.321 0.000 2.385 85 F HA 0.339 4.853 4.527 -0.021 0.000 0.336 85 F C 0.139 175.667 175.800 -0.452 0.000 1.100 85 F CA -0.499 57.266 58.000 -0.391 0.000 1.116 85 F CB 1.169 39.775 39.000 -0.657 0.000 1.166 85 F HN 0.450 8.750 8.300 -0.000 0.000 0.511 86 H N 1.867 120.982 119.070 0.075 0.000 2.572 86 H HA 0.307 4.850 4.556 -0.021 0.000 0.359 86 H C 0.811 176.046 175.328 -0.155 0.000 1.134 86 H CA -0.785 55.123 56.048 -0.233 0.000 1.187 86 H CB 2.000 31.186 29.762 -0.961 0.000 1.597 86 H HN 0.742 9.022 8.280 -0.000 0.000 0.524 87 M N 1.945 121.538 119.600 -0.011 0.000 2.159 87 M HA -0.174 4.293 4.480 -0.021 0.000 0.263 87 M C 1.388 177.710 176.300 0.036 0.000 1.063 87 M CA 1.732 57.046 55.300 0.023 0.000 1.110 87 M CB -0.069 32.561 32.600 0.051 0.000 1.374 87 M HN 0.877 9.167 8.290 -0.000 0.000 0.411 88 Y N -0.909 119.473 120.300 0.136 0.000 2.333 88 Y HA -0.111 4.426 4.550 -0.021 0.000 0.290 88 Y C 1.493 177.413 175.900 0.033 0.000 1.144 88 Y CA 1.115 59.258 58.100 0.072 0.000 1.228 88 Y CB -1.112 37.386 38.460 0.063 0.000 0.985 88 Y HN 0.286 8.566 8.280 -0.000 0.000 0.542 89 E N 0.504 120.686 120.200 -0.030 0.000 2.478 89 E HA 0.089 4.427 4.350 -0.021 0.000 0.198 89 E C 1.673 178.125 176.600 -0.246 0.000 1.046 89 E CA 0.600 56.965 56.400 -0.059 0.000 0.870 89 E CB -0.166 29.497 29.700 -0.061 0.000 0.818 89 E HN 0.804 9.164 8.360 -0.000 0.000 0.527 90 G N 0.330 109.025 108.800 -0.175 0.000 2.213 90 G HA2 -0.259 3.688 3.960 -0.021 0.000 0.226 90 G HA3 -0.259 3.688 3.960 -0.021 0.000 0.226 90 G C -0.216 174.540 174.900 -0.240 0.000 0.992 90 G CA -0.334 44.643 45.100 -0.206 0.000 0.632 90 G HN 0.184 8.474 8.290 -0.000 0.000 0.511 91 Y N 2.837 123.053 120.300 -0.141 0.000 2.526 91 Y HA 0.409 4.947 4.550 -0.020 0.000 0.330 91 Y C -1.363 174.349 175.900 -0.313 0.000 1.156 91 Y CA -1.508 56.432 58.100 -0.267 0.000 1.419 91 Y CB 0.262 38.557 38.460 -0.274 0.000 1.250 91 Y HN 0.063 8.343 8.280 -0.000 0.000 0.540 92 P HA 0.064 4.484 4.420 -0.000 0.000 0.271 92 P C 0.534 177.546 177.300 -0.481 0.000 1.218 92 P CA -0.135 62.709 63.100 -0.426 0.000 0.780 92 P CB 1.005 32.280 31.700 -0.709 0.000 0.901 93 L N 1.217 122.294 121.223 -0.244 0.000 2.265 93 L HA -0.114 4.214 4.340 -0.021 0.000 0.215 93 L C 2.300 179.111 176.870 -0.099 0.000 1.117 93 L CA 1.147 55.904 54.840 -0.137 0.000 0.782 93 L CB -0.771 41.268 42.059 -0.034 0.000 0.914 93 L HN 0.600 8.830 8.230 -0.000 0.000 0.441 94 W N 0.062 121.341 121.300 -0.035 0.000 2.595 94 W HA -0.046 4.600 4.660 -0.022 0.000 0.257 94 W C 1.621 178.170 176.519 0.050 0.000 1.267 94 W CA 0.192 57.544 57.345 0.012 0.000 1.300 94 W CB -0.609 28.860 29.460 0.016 0.000 1.120 94 W HN 0.126 8.306 8.180 -0.000 0.000 0.618 95 K N 1.048 121.144 120.400 -0.508 0.000 2.099 95 K HA -0.035 4.272 4.320 -0.021 0.000 0.203 95 K C 2.222 178.515 176.600 -0.513 0.000 1.047 95 K CA 1.004 56.973 56.287 -0.530 0.000 0.963 95 K CB -0.469 31.483 32.500 -0.914 0.000 0.759 95 K HN -0.105 8.145 8.250 -0.000 0.000 0.451 96 V N 1.975 121.630 119.914 -0.432 0.000 2.278 96 V HA -0.282 3.826 4.120 -0.021 0.000 0.251 96 V C 2.280 178.297 176.094 -0.127 0.000 1.062 96 V CA 2.525 64.681 62.300 -0.240 0.000 1.038 96 V CB -0.810 30.928 31.823 -0.141 0.000 0.646 96 V HN 0.580 8.770 8.190 -0.000 0.000 0.447 97 T N -3.653 110.837 114.554 -0.106 0.000 3.105 97 T HA 0.068 4.405 4.350 -0.021 0.000 0.253 97 T C 1.376 176.000 174.700 -0.126 0.000 1.047 97 T CA 0.122 62.160 62.100 -0.103 0.000 0.944 97 T CB -0.310 68.507 68.868 -0.086 0.000 1.016 97 T HN 0.370 8.610 8.240 -0.000 0.000 0.544 98 F N 3.605 123.392 119.950 -0.271 0.000 2.134 98 F HA 0.123 4.636 4.527 -0.024 0.000 0.299 98 F C -1.170 174.348 175.800 -0.471 0.000 1.097 98 F CA 0.528 58.334 58.000 -0.322 0.000 1.264 98 F CB -0.950 37.702 39.000 -0.581 0.000 1.001 98 F HN 0.159 8.459 8.300 -0.000 0.000 0.479 99 P HA -0.149 4.271 4.420 -0.000 0.000 0.218 99 P C 2.071 178.619 177.300 -1.254 0.000 1.148 99 P CA 1.539 64.078 63.100 -0.936 0.000 0.822 99 P CB -0.096 31.240 31.700 -0.607 0.000 0.784 100 V N -0.106 119.358 119.914 -0.751 0.000 2.469 100 V HA -0.235 3.872 4.120 -0.021 0.000 0.251 100 V C 2.396 178.274 176.094 -0.360 0.000 1.064 100 V CA 1.768 63.800 62.300 -0.448 0.000 1.066 100 V CB -0.906 30.789 31.823 -0.214 0.000 0.667 100 V HN 0.141 8.331 8.190 -0.000 0.000 0.461 101 R N -0.805 119.385 120.500 -0.517 0.000 2.100 101 R HA -0.016 4.311 4.340 -0.021 0.000 0.220 101 R C 2.225 178.363 176.300 -0.270 0.000 1.091 101 R CA 0.912 56.704 56.100 -0.513 0.000 0.986 101 R CB -0.362 29.267 30.300 -1.118 0.000 0.888 101 R HN 0.410 8.680 8.270 -0.000 0.000 0.444 102 V N 1.145 120.799 119.914 -0.432 0.000 2.287 102 V HA -0.263 3.844 4.120 -0.021 0.000 0.248 102 V C 2.087 178.203 176.094 0.037 0.000 1.053 102 V CA 1.787 63.951 62.300 -0.227 0.000 1.027 102 V CB -0.617 30.999 31.823 -0.346 0.000 0.646 102 V HN 0.101 8.291 8.190 -0.000 0.000 0.447 103 F N 0.643 120.580 119.950 -0.022 0.000 2.115 103 F HA -0.226 4.288 4.527 -0.022 0.000 0.300 103 F C 2.452 178.282 175.800 0.051 0.000 1.092 103 F CA 1.901 59.913 58.000 0.020 0.000 1.245 103 F CB -1.545 37.452 39.000 -0.005 0.000 0.995 103 F HN 0.353 8.653 8.300 -0.000 0.000 0.481 104 H N 0.139 119.296 119.070 0.145 0.000 2.321 104 H HA -0.099 4.444 4.556 -0.021 0.000 0.300 104 H C 1.996 177.388 175.328 0.106 0.000 1.087 104 H CA 1.901 58.010 56.048 0.102 0.000 1.319 104 H CB -0.457 29.345 29.762 0.067 0.000 1.379 104 H HN 0.228 8.508 8.280 -0.000 0.000 0.501 105 L N -0.178 121.063 121.223 0.030 0.000 2.362 105 L HA -0.088 4.239 4.340 -0.021 0.000 0.219 105 L C 1.687 178.555 176.870 -0.002 0.000 1.134 105 L CA 0.006 54.826 54.840 -0.034 0.000 0.807 105 L CB -0.181 41.907 42.059 0.049 0.000 0.927 105 L HN 0.299 8.529 8.230 -0.000 0.000 0.447 106 L N -0.102 121.162 121.223 0.069 0.000 2.376 106 L HA 0.054 4.381 4.340 -0.021 0.000 0.219 106 L C 1.682 178.585 176.870 0.054 0.000 1.133 106 L CA 1.488 56.389 54.840 0.102 0.000 0.816 106 L CB -0.886 41.301 42.059 0.213 0.000 0.933 106 L HN 0.405 8.635 8.230 -0.000 0.000 0.449 107 G N -1.730 107.069 108.800 -0.000 0.000 2.163 107 G HA2 -0.209 3.738 3.960 -0.021 0.000 0.213 107 G HA3 -0.209 3.738 3.960 -0.021 0.000 0.213 107 G C 0.287 175.200 174.900 0.021 0.000 0.991 107 G CA 0.058 45.149 45.100 -0.015 0.000 0.653 107 G HN 0.082 8.372 8.290 -0.000 0.000 0.518 108 V N 1.904 121.850 119.914 0.053 0.000 2.655 108 V HA 0.399 4.506 4.120 -0.021 0.000 0.300 108 V C 1.284 177.425 176.094 0.078 0.000 1.044 108 V CA 1.173 63.507 62.300 0.057 0.000 1.095 108 V CB 1.501 33.355 31.823 0.052 0.000 0.952 108 V HN 0.560 8.750 8.190 -0.000 0.000 0.485 109 D N 0.910 121.351 120.400 0.068 0.000 2.500 109 D HA 0.080 4.707 4.640 -0.021 0.000 0.218 109 D C 0.400 176.747 176.300 0.079 0.000 1.140 109 D CA 0.048 54.098 54.000 0.082 0.000 0.830 109 D CB 0.530 41.370 40.800 0.067 0.000 1.055 109 D HN 0.487 8.857 8.370 -0.000 0.000 0.512 110 T N 0.839 115.435 114.554 0.070 0.000 2.861 110 T HA 0.558 4.896 4.350 -0.021 0.000 0.287 110 T C -1.231 173.489 174.700 0.033 0.000 1.003 110 T CA -0.662 61.489 62.100 0.084 0.000 0.977 110 T CB 2.174 71.124 68.868 0.137 0.000 0.996 110 T HN 0.070 8.310 8.240 -0.000 0.000 0.448 111 L N 4.168 125.398 121.223 0.012 0.000 2.356 111 L HA 0.822 5.149 4.340 -0.021 0.000 0.277 111 L C -0.709 176.047 176.870 -0.190 0.000 0.996 111 L CA -0.800 54.003 54.840 -0.061 0.000 0.822 111 L CB 1.571 43.623 42.059 -0.011 0.000 1.256 111 L HN 0.520 8.750 8.230 -0.000 0.000 0.413 112 V N 6.461 126.196 119.914 -0.298 0.000 2.435 112 V HA 0.852 4.959 4.120 -0.021 0.000 0.290 112 V C -1.022 174.910 176.094 -0.269 0.000 1.030 112 V CA -0.258 61.730 62.300 -0.519 0.000 0.881 112 V CB 1.872 33.237 31.823 -0.764 0.000 0.983 112 V HN 0.745 8.935 8.190 -0.000 0.000 0.445 113 V N 3.303 123.081 119.914 -0.226 0.000 2.540 113 V HA 0.925 5.032 4.120 -0.021 0.000 0.302 113 V C -0.019 176.039 176.094 -0.060 0.000 1.035 113 V CA 0.156 62.390 62.300 -0.111 0.000 0.873 113 V CB 1.187 32.959 31.823 -0.085 0.000 0.992 113 V HN 1.160 9.350 8.190 -0.000 0.000 0.428 114 T N 1.519 116.063 114.554 -0.016 0.000 2.908 114 T HA 0.869 5.206 4.350 -0.021 0.000 0.290 114 T C -0.626 174.087 174.700 0.021 0.000 1.034 114 T CA -0.542 61.584 62.100 0.044 0.000 1.010 114 T CB 1.940 70.852 68.868 0.074 0.000 1.068 114 T HN 1.318 9.558 8.240 -0.000 0.000 0.481 115 N N -0.476 118.252 118.700 0.046 0.000 2.708 115 N HA 0.601 5.328 4.740 -0.021 0.000 0.257 115 N C -1.549 174.038 175.510 0.129 0.000 1.373 115 N CA -1.092 52.007 53.050 0.081 0.000 0.843 115 N CB 1.204 39.716 38.487 0.042 0.000 1.503 115 N HN 0.979 9.359 8.380 -0.000 0.000 0.504 116 A N -0.255 122.662 122.820 0.161 0.000 2.309 116 A HA 0.884 5.192 4.320 -0.021 0.000 0.298 116 A C -0.336 177.359 177.584 0.184 0.000 1.165 116 A CA -0.069 52.060 52.037 0.154 0.000 0.821 116 A CB 0.010 19.096 19.000 0.143 0.000 1.102 116 A HN 1.125 9.275 8.150 -0.000 0.000 0.500 117 A N 1.357 124.270 122.820 0.156 0.000 2.556 117 A HA 0.811 5.118 4.320 -0.021 0.000 0.294 117 A C 0.110 177.726 177.584 0.053 0.000 1.091 117 A CA -0.093 52.024 52.037 0.133 0.000 0.704 117 A CB 1.282 20.421 19.000 0.231 0.000 1.300 117 A HN 1.797 9.947 8.150 -0.000 0.000 0.406 118 G N -0.076 108.700 108.800 -0.041 0.000 2.356 118 G HA2 0.520 4.467 3.960 -0.021 0.000 0.298 118 G HA3 0.520 4.467 3.960 -0.021 0.000 0.298 118 G C 0.300 175.193 174.900 -0.012 0.000 1.145 118 G CA 0.171 45.231 45.100 -0.066 0.000 0.850 118 G HN 1.238 9.528 8.290 -0.000 0.000 0.487 119 G N 0.865 109.692 108.800 0.044 0.000 2.349 119 G HA2 0.406 4.353 3.960 -0.021 0.000 0.281 119 G HA3 0.406 4.353 3.960 -0.021 0.000 0.281 119 G C 0.772 175.636 174.900 -0.060 0.000 1.182 119 G CA -0.529 44.623 45.100 0.087 0.000 0.899 119 G HN 0.542 8.832 8.290 -0.000 0.000 0.455 120 L N 2.245 123.372 121.223 -0.160 0.000 2.298 120 L HA 0.148 4.476 4.340 -0.021 0.000 0.209 120 L C 1.340 178.048 176.870 -0.270 0.000 1.084 120 L CA -0.166 54.559 54.840 -0.192 0.000 0.816 120 L CB -0.062 41.889 42.059 -0.179 0.000 0.967 120 L HN 0.407 8.637 8.230 -0.000 0.000 0.460 121 N N 1.173 119.568 118.700 -0.509 0.000 2.431 121 N HA 0.037 4.765 4.740 -0.021 0.000 0.265 121 N C -1.796 173.514 175.510 -0.334 0.000 1.184 121 N CA -1.273 51.429 53.050 -0.579 0.000 0.943 121 N CB 1.626 39.382 38.487 -1.218 0.000 1.080 121 N HN -0.143 8.237 8.380 -0.000 0.000 0.477 122 P HA -0.146 4.274 4.420 -0.000 0.000 0.216 122 P C 0.899 178.204 177.300 0.008 0.000 1.154 122 P CA 1.542 64.604 63.100 -0.063 0.000 0.865 122 P CB 0.376 32.046 31.700 -0.050 0.000 0.789 123 K N -1.811 118.606 120.400 0.028 0.000 2.160 123 K HA -0.084 4.223 4.320 -0.021 0.000 0.206 123 K C 0.526 177.294 176.600 0.281 0.000 1.047 123 K CA 0.709 57.081 56.287 0.140 0.000 0.930 123 K CB -0.670 31.933 32.500 0.171 0.000 0.720 123 K HN 0.065 8.315 8.250 -0.000 0.000 0.450 124 F N 1.872 121.818 119.950 -0.006 0.000 2.538 124 F HA 0.111 4.625 4.527 -0.021 0.000 0.371 124 F C 0.674 176.476 175.800 0.004 0.000 1.087 124 F CA -0.559 57.440 58.000 -0.002 0.000 1.250 124 F CB 0.179 39.176 39.000 -0.006 0.000 1.110 124 F HN -0.015 8.285 8.300 -0.000 0.000 0.570 125 E N 1.037 121.323 120.200 0.143 0.000 2.235 125 E HA 0.419 4.756 4.350 -0.021 0.000 0.265 125 E C -1.023 175.614 176.600 0.063 0.000 0.940 125 E CA -1.122 55.331 56.400 0.087 0.000 0.819 125 E CB 2.439 32.173 29.700 0.057 0.000 1.206 125 E HN 0.200 8.560 8.360 -0.000 0.000 0.409 126 V N 1.965 121.915 119.914 0.061 0.000 2.617 126 V HA 0.139 4.246 4.120 -0.021 0.000 0.304 126 V C 1.297 177.415 176.094 0.039 0.000 1.040 126 V CA 2.025 64.357 62.300 0.054 0.000 1.149 126 V CB 0.369 32.225 31.823 0.055 0.000 0.914 126 V HN 1.095 9.285 8.190 -0.000 0.000 0.487 127 G N 3.927 112.747 108.800 0.034 0.000 2.279 127 G HA2 -0.189 3.758 3.960 -0.021 0.000 0.223 127 G HA3 -0.189 3.758 3.960 -0.021 0.000 0.223 127 G C 0.021 174.925 174.900 0.008 0.000 1.015 127 G CA -0.007 45.110 45.100 0.029 0.000 0.621 127 G HN 0.662 8.952 8.290 -0.000 0.000 0.506 128 D N 0.818 121.198 120.400 -0.034 0.000 2.472 128 D HA 0.390 5.017 4.640 -0.021 0.000 0.237 128 D C 0.820 177.041 176.300 -0.132 0.000 1.141 128 D CA 0.463 54.389 54.000 -0.124 0.000 0.875 128 D CB 0.671 41.307 40.800 -0.273 0.000 1.192 128 D HN 0.405 8.775 8.370 -0.000 0.000 0.450 129 I N 2.088 122.551 120.570 -0.178 0.000 2.359 129 I HA 0.236 4.393 4.170 -0.021 0.000 0.294 129 I C 0.255 176.244 176.117 -0.213 0.000 0.987 129 I CA -0.441 60.778 61.300 -0.135 0.000 1.225 129 I CB 1.290 39.207 38.000 -0.137 0.000 1.366 129 I HN 0.099 8.309 8.210 -0.000 0.000 0.466 130 M N 7.413 126.968 119.600 -0.075 0.000 2.125 130 M HA 0.372 4.839 4.480 -0.021 0.000 0.321 130 M C -1.135 175.188 176.300 0.039 0.000 0.983 130 M CA -0.808 54.437 55.300 -0.092 0.000 0.934 130 M CB 1.306 33.873 32.600 -0.054 0.000 1.542 130 M HN 0.495 8.785 8.290 -0.000 0.000 0.424 131 L N 6.346 127.571 121.223 0.003 0.000 2.500 131 L HA 0.206 4.533 4.340 -0.021 0.000 0.272 131 L C -0.443 176.312 176.870 -0.192 0.000 1.149 131 L CA 0.011 54.779 54.840 -0.119 0.000 0.897 131 L CB 0.240 42.268 42.059 -0.052 0.000 1.178 131 L HN 0.715 8.945 8.230 -0.000 0.000 0.473 132 I N 5.524 125.896 120.570 -0.331 0.000 2.505 132 I HA -0.061 4.097 4.170 -0.021 0.000 0.287 132 I C 1.139 176.942 176.117 -0.524 0.000 1.104 132 I CA 0.139 61.181 61.300 -0.430 0.000 1.387 132 I CB 0.733 38.354 38.000 -0.632 0.000 1.404 132 I HN 0.641 8.851 8.210 -0.000 0.000 0.528 133 R N 4.200 124.487 120.500 -0.355 0.000 2.206 133 R HA 0.207 4.534 4.340 -0.021 0.000 0.198 133 R C -0.223 175.971 176.300 -0.176 0.000 0.986 133 R CA 0.782 56.764 56.100 -0.197 0.000 1.029 133 R CB 0.298 30.551 30.300 -0.078 0.000 0.966 133 R HN 0.670 8.940 8.270 -0.000 0.000 0.487 134 D N -1.182 119.049 120.400 -0.281 0.000 2.710 134 D HA 0.141 4.768 4.640 -0.021 0.000 0.276 134 D C -1.617 174.657 176.300 -0.043 0.000 1.267 134 D CA -0.470 53.477 54.000 -0.088 0.000 0.772 134 D CB 0.930 41.721 40.800 -0.016 0.000 1.299 134 D HN 0.312 8.682 8.370 -0.000 0.000 0.421 135 H N -0.754 118.415 119.070 0.165 0.000 2.907 135 H HA 0.724 5.267 4.556 -0.021 0.000 0.361 135 H C -0.744 174.634 175.328 0.084 0.000 1.194 135 H CA -1.030 55.109 56.048 0.153 0.000 1.152 135 H CB 1.637 31.555 29.762 0.259 0.000 1.867 135 H HN 0.245 8.525 8.280 -0.000 0.000 0.561 136 I N 2.202 122.940 120.570 0.280 0.000 2.439 136 I HA 0.070 4.227 4.170 -0.021 0.000 0.283 136 I C -0.391 175.713 176.117 -0.022 0.000 1.023 136 I CA -0.684 60.676 61.300 0.100 0.000 1.100 136 I CB 1.458 39.483 38.000 0.042 0.000 1.238 136 I HN 0.479 8.689 8.210 -0.000 0.000 0.445 137 N N 6.486 125.097 118.700 -0.148 0.000 2.719 137 N HA 0.168 4.895 4.740 -0.021 0.000 0.243 137 N C 0.585 175.830 175.510 -0.442 0.000 1.104 137 N CA -0.235 52.661 53.050 -0.257 0.000 0.981 137 N CB 0.749 39.094 38.487 -0.237 0.000 1.290 137 N HN 0.489 8.869 8.380 -0.000 0.000 0.513 138 L N 5.084 126.157 121.223 -0.250 0.000 2.017 138 L HA 0.066 4.393 4.340 -0.021 0.000 0.208 138 L C -0.601 176.248 176.870 -0.035 0.000 1.073 138 L CA 1.600 56.369 54.840 -0.118 0.000 0.745 138 L CB -1.353 40.713 42.059 0.011 0.000 0.894 138 L HN 0.453 8.683 8.230 -0.000 0.000 0.432 139 P HA -0.120 4.300 4.420 -0.000 0.000 0.216 139 P C 1.609 178.917 177.300 0.013 0.000 1.150 139 P CA 1.675 64.783 63.100 0.012 0.000 0.837 139 P CB -0.235 31.470 31.700 0.008 0.000 0.786 140 G N -1.488 107.276 108.800 -0.061 0.000 2.448 140 G HA2 -0.250 3.697 3.960 -0.021 0.000 0.219 140 G HA3 -0.250 3.697 3.960 -0.021 0.000 0.219 140 G C 1.164 176.101 174.900 0.062 0.000 1.127 140 G CA 0.259 45.335 45.100 -0.040 0.000 0.766 140 G HN 0.115 8.405 8.290 -0.000 0.000 0.552 141 F N 1.790 121.764 119.950 0.041 0.000 2.134 141 F HA -0.009 4.505 4.527 -0.020 0.000 0.299 141 F C 2.832 178.651 175.800 0.032 0.000 1.097 141 F CA 1.165 59.187 58.000 0.037 0.000 1.264 141 F CB -0.494 38.526 39.000 0.032 0.000 1.001 141 F HN 0.091 8.391 8.300 -0.000 0.000 0.479 142 S N -1.603 114.232 115.700 0.225 0.000 2.524 142 S HA 0.333 4.790 4.470 -0.021 0.000 0.216 142 S C 1.798 176.456 174.600 0.097 0.000 0.987 142 S CA 0.715 58.997 58.200 0.136 0.000 0.909 142 S CB 0.307 63.574 63.200 0.112 0.000 0.781 142 S HN 0.569 8.879 8.310 -0.000 0.000 0.521 143 G N 0.521 109.378 108.800 0.094 0.000 2.624 143 G HA2 -0.123 3.825 3.960 -0.021 0.000 0.190 143 G HA3 -0.123 3.825 3.960 -0.021 0.000 0.190 143 G C -0.151 174.784 174.900 0.059 0.000 1.008 143 G CA -0.648 44.495 45.100 0.072 0.000 0.731 143 G HN 0.278 8.568 8.290 -0.000 0.000 0.478 144 Q N 1.572 121.404 119.800 0.053 0.000 2.534 144 Q HA 0.303 4.630 4.340 -0.021 0.000 0.223 144 Q C -0.628 175.386 176.000 0.023 0.000 1.239 144 Q CA 0.096 55.922 55.803 0.039 0.000 0.936 144 Q CB 0.509 29.268 28.738 0.034 0.000 1.457 144 Q HN 0.488 8.758 8.270 -0.000 0.000 0.547 145 N N 2.968 121.684 118.700 0.027 0.000 2.371 145 N HA 0.256 4.983 4.740 -0.021 0.000 0.291 145 N C -2.222 173.295 175.510 0.011 0.000 1.053 145 N CA -1.810 51.245 53.050 0.008 0.000 0.870 145 N CB 2.103 40.600 38.487 0.016 0.000 1.503 145 N HN 0.014 8.394 8.380 -0.000 0.000 0.485 146 P HA -0.044 4.376 4.420 -0.000 0.000 0.228 146 P C 1.049 178.341 177.300 -0.014 0.000 1.151 146 P CA 0.390 63.497 63.100 0.011 0.000 0.770 146 P CB 0.594 32.280 31.700 -0.024 0.000 0.786 147 L N -0.954 120.227 121.223 -0.070 0.000 2.567 147 L HA 0.186 4.513 4.340 -0.021 0.000 0.225 147 L C 1.479 178.300 176.870 -0.081 0.000 1.119 147 L CA -0.091 54.662 54.840 -0.145 0.000 0.871 147 L CB -1.328 40.590 42.059 -0.234 0.000 1.036 147 L HN -0.086 8.144 8.230 -0.000 0.000 0.459 148 R N 0.297 120.785 120.500 -0.019 0.000 2.585 148 R HA 0.360 4.688 4.340 -0.021 0.000 0.275 148 R C 0.541 176.835 176.300 -0.011 0.000 1.018 148 R CA 1.084 57.185 56.100 0.001 0.000 1.072 148 R CB 0.047 30.367 30.300 0.034 0.000 0.953 148 R HN 0.348 8.618 8.270 -0.000 0.000 0.419 149 G N 3.996 112.784 108.800 -0.020 0.000 2.466 149 G HA2 -0.177 3.771 3.960 -0.021 0.000 0.316 149 G HA3 -0.177 3.771 3.960 -0.021 0.000 0.316 149 G C -2.559 172.317 174.900 -0.039 0.000 1.270 149 G CA -0.714 44.365 45.100 -0.034 0.000 0.982 149 G HN 0.602 8.892 8.290 -0.000 0.000 0.506 150 P HA 0.310 4.730 4.420 -0.000 0.000 0.266 150 P C -0.436 176.861 177.300 -0.005 0.000 1.195 150 P CA 0.128 63.214 63.100 -0.023 0.000 0.768 150 P CB 0.633 32.324 31.700 -0.015 0.000 0.838 151 N N 1.059 119.755 118.700 -0.007 0.000 2.314 151 N HA 0.200 4.927 4.740 -0.021 0.000 0.294 151 N C -1.452 174.092 175.510 0.056 0.000 1.029 151 N CA -0.553 52.513 53.050 0.027 0.000 0.845 151 N CB 1.155 39.625 38.487 -0.028 0.000 1.321 151 N HN 0.213 8.593 8.380 -0.000 0.000 0.481 152 D N 1.918 122.401 120.400 0.138 0.000 2.256 152 D HA 0.134 4.761 4.640 -0.021 0.000 0.240 152 D C 0.020 176.332 176.300 0.020 0.000 1.062 152 D CA -0.129 53.901 54.000 0.051 0.000 0.832 152 D CB 1.571 42.401 40.800 0.050 0.000 1.135 152 D HN 0.670 9.040 8.370 -0.000 0.000 0.484 153 E N 2.266 122.418 120.200 -0.080 0.000 2.435 153 E HA -0.006 4.331 4.350 -0.021 0.000 0.195 153 E C 1.523 178.030 176.600 -0.155 0.000 1.029 153 E CA 0.298 56.642 56.400 -0.092 0.000 0.865 153 E CB 0.372 30.021 29.700 -0.086 0.000 0.833 153 E HN 0.363 8.723 8.360 -0.000 0.000 0.510 154 R N -0.712 119.624 120.500 -0.273 0.000 2.152 154 R HA -0.111 4.216 4.340 -0.021 0.000 0.232 154 R C 1.214 177.353 176.300 -0.269 0.000 1.117 154 R CA 0.943 56.833 56.100 -0.351 0.000 0.981 154 R CB -0.018 29.856 30.300 -0.711 0.000 0.870 154 R HN 0.184 8.454 8.270 -0.000 0.000 0.451 155 F N -0.852 119.026 119.950 -0.120 0.000 2.148 155 F HA 0.274 4.788 4.527 -0.023 0.000 0.285 155 F C 1.532 177.035 175.800 -0.496 0.000 1.092 155 F CA 0.994 58.852 58.000 -0.238 0.000 1.218 155 F CB -0.432 38.500 39.000 -0.113 0.000 1.059 155 F HN 0.045 8.345 8.300 -0.000 0.000 0.490 156 G N -1.401 107.145 108.800 -0.423 0.000 2.490 156 G HA2 0.248 4.196 3.960 -0.021 0.000 0.308 156 G HA3 0.248 4.196 3.960 -0.021 0.000 0.308 156 G C -1.750 172.984 174.900 -0.277 0.000 1.286 156 G CA -0.819 43.855 45.100 -0.710 0.000 0.825 156 G HN -0.157 8.133 8.290 -0.000 0.000 0.479 157 D N -0.278 120.043 120.400 -0.132 0.000 2.360 157 D HA 0.224 4.851 4.640 -0.021 0.000 0.242 157 D C 1.256 177.620 176.300 0.106 0.000 1.184 157 D CA -0.488 53.529 54.000 0.027 0.000 0.930 157 D CB 1.306 42.133 40.800 0.044 0.000 1.161 157 D HN 0.246 8.616 8.370 -0.000 0.000 0.447 158 R N 0.366 120.803 120.500 -0.105 0.000 2.066 158 R HA -0.038 4.289 4.340 -0.021 0.000 0.232 158 R C 0.224 176.229 176.300 -0.491 0.000 1.131 158 R CA 0.969 56.825 56.100 -0.406 0.000 0.955 158 R CB -0.143 29.701 30.300 -0.759 0.000 0.851 158 R HN 0.342 8.612 8.270 -0.000 0.000 0.432 159 F N 2.536 122.526 119.950 0.066 0.000 2.389 159 F HA 0.363 4.877 4.527 -0.021 0.000 0.327 159 F C -1.823 174.014 175.800 0.061 0.000 1.204 159 F CA -2.780 55.252 58.000 0.052 0.000 1.209 159 F CB 0.614 39.637 39.000 0.038 0.000 1.460 159 F HN -0.062 8.238 8.300 -0.000 0.000 0.537 160 P HA 0.337 4.757 4.420 -0.000 0.000 0.275 160 P C -0.344 177.030 177.300 0.123 0.000 1.228 160 P CA -0.240 62.954 63.100 0.157 0.000 0.786 160 P CB 1.362 33.176 31.700 0.190 0.000 0.927 161 A N 3.276 126.147 122.820 0.085 0.000 2.371 161 A HA 0.445 4.753 4.320 -0.021 0.000 0.257 161 A C 0.872 178.477 177.584 0.034 0.000 1.089 161 A CA -0.229 51.842 52.037 0.058 0.000 0.794 161 A CB 0.019 19.043 19.000 0.040 0.000 1.029 161 A HN 0.545 8.695 8.150 -0.000 0.000 0.488 162 M N 1.523 121.136 119.600 0.022 0.000 2.340 162 M HA 0.054 4.521 4.480 -0.021 0.000 0.345 162 M C 1.332 177.600 176.300 -0.054 0.000 1.008 162 M CA 0.342 55.630 55.300 -0.019 0.000 0.987 162 M CB -0.467 32.141 32.600 0.013 0.000 1.598 162 M HN 0.746 9.036 8.290 -0.000 0.000 0.569 163 S N 1.925 117.613 115.700 -0.019 0.000 2.419 163 S HA -0.121 4.336 4.470 -0.021 0.000 0.235 163 S C 0.937 175.530 174.600 -0.012 0.000 1.019 163 S CA 1.651 59.843 58.200 -0.012 0.000 0.982 163 S CB -0.447 62.756 63.200 0.005 0.000 0.789 163 S HN 0.596 8.906 8.310 -0.000 0.000 0.490 164 D N 0.187 120.573 120.400 -0.023 0.000 2.788 164 D HA 0.537 5.164 4.640 -0.021 0.000 0.289 164 D C 0.944 177.205 176.300 -0.065 0.000 1.340 164 D CA 0.078 54.068 54.000 -0.017 0.000 0.831 164 D CB -0.126 40.670 40.800 -0.007 0.000 1.103 164 D HN 0.190 8.560 8.370 -0.000 0.000 0.476 165 A N -0.083 122.653 122.820 -0.141 0.000 1.940 165 A HA -0.118 4.190 4.320 -0.021 0.000 0.219 165 A C 0.248 177.542 177.584 -0.484 0.000 1.176 165 A CA 0.782 52.607 52.037 -0.353 0.000 0.631 165 A CB -0.680 17.994 19.000 -0.543 0.000 0.814 165 A HN 0.343 8.493 8.150 -0.000 0.000 0.446 166 Y N 0.555 120.839 120.300 -0.027 0.000 2.434 166 Y HA 0.385 4.922 4.550 -0.022 0.000 0.341 166 Y C -0.070 175.829 175.900 -0.003 0.000 0.965 166 Y CA -1.683 56.411 58.100 -0.011 0.000 1.205 166 Y CB 0.259 38.699 38.460 -0.034 0.000 1.121 166 Y HN 0.209 8.489 8.280 -0.000 0.000 0.507 167 D N 2.235 122.698 120.400 0.104 0.000 2.520 167 D HA -0.081 4.546 4.640 -0.021 0.000 0.243 167 D C 1.511 177.831 176.300 0.032 0.000 1.160 167 D CA 0.332 54.363 54.000 0.052 0.000 0.877 167 D CB 0.786 41.616 40.800 0.051 0.000 1.150 167 D HN 0.479 8.849 8.370 -0.000 0.000 0.494 168 R N 2.416 122.927 120.500 0.019 0.000 2.113 168 R HA -0.178 4.150 4.340 -0.021 0.000 0.244 168 R C 1.736 178.029 176.300 -0.012 0.000 1.142 168 R CA 2.385 58.490 56.100 0.009 0.000 0.953 168 R CB -0.871 29.434 30.300 0.008 0.000 0.860 168 R HN 0.549 8.819 8.270 -0.000 0.000 0.438 169 T N 0.674 115.213 114.554 -0.025 0.000 2.708 169 T HA -0.095 4.242 4.350 -0.021 0.000 0.266 169 T C 1.641 176.287 174.700 -0.090 0.000 1.037 169 T CA 1.578 63.651 62.100 -0.045 0.000 1.146 169 T CB -0.104 68.738 68.868 -0.043 0.000 0.865 169 T HN 0.120 8.360 8.240 -0.000 0.000 0.435 170 M N 0.762 120.270 119.600 -0.154 0.000 2.254 170 M HA 0.091 4.558 4.480 -0.021 0.000 0.265 170 M C 2.215 178.385 176.300 -0.217 0.000 1.066 170 M CA 1.196 56.299 55.300 -0.329 0.000 1.123 170 M CB -0.939 31.263 32.600 -0.663 0.000 1.388 170 M HN 0.183 8.473 8.290 -0.000 0.000 0.425 171 R N -0.130 120.314 120.500 -0.093 0.000 2.092 171 R HA -0.111 4.217 4.340 -0.021 0.000 0.231 171 R C 2.236 178.541 176.300 0.007 0.000 1.119 171 R CA 1.138 57.222 56.100 -0.025 0.000 0.970 171 R CB -0.188 30.109 30.300 -0.005 0.000 0.864 171 R HN 0.529 8.799 8.270 -0.000 0.000 0.440 172 Q N -0.082 119.715 119.800 -0.004 0.000 2.119 172 Q HA -0.126 4.202 4.340 -0.021 0.000 0.201 172 Q C 2.039 178.058 176.000 0.033 0.000 0.972 172 Q CA 1.255 57.068 55.803 0.018 0.000 0.847 172 Q CB 0.015 28.758 28.738 0.008 0.000 0.903 172 Q HN 0.307 8.577 8.270 -0.000 0.000 0.433 173 R N 0.072 120.572 120.500 -0.000 0.000 2.119 173 R HA 0.029 4.357 4.340 -0.021 0.000 0.222 173 R C 2.281 178.635 176.300 0.089 0.000 1.088 173 R CA 0.772 56.881 56.100 0.014 0.000 0.984 173 R CB -0.201 30.065 30.300 -0.056 0.000 0.884 173 R HN 0.161 8.431 8.270 -0.000 0.000 0.447 174 A N 1.522 124.402 122.820 0.101 0.000 1.865 174 A HA -0.178 4.129 4.320 -0.021 0.000 0.217 174 A C 2.133 179.980 177.584 0.439 0.000 1.191 174 A CA 1.307 53.541 52.037 0.329 0.000 0.623 174 A CB -0.699 18.531 19.000 0.383 0.000 0.826 174 A HN 0.177 8.327 8.150 -0.000 0.000 0.444 175 L N -0.829 120.548 121.223 0.257 0.000 2.042 175 L HA -0.192 4.135 4.340 -0.021 0.000 0.210 175 L C 2.921 179.937 176.870 0.243 0.000 1.076 175 L CA 1.595 56.565 54.840 0.216 0.000 0.749 175 L CB -0.396 41.731 42.059 0.114 0.000 0.893 175 L HN 0.413 8.643 8.230 -0.000 0.000 0.432 176 S N -1.208 114.604 115.700 0.187 0.000 2.368 176 S HA -0.173 4.284 4.470 -0.021 0.000 0.224 176 S C 1.997 176.701 174.600 0.173 0.000 1.029 176 S CA 1.811 60.099 58.200 0.146 0.000 0.988 176 S CB -0.132 63.125 63.200 0.095 0.000 0.838 176 S HN 0.448 8.758 8.310 -0.000 0.000 0.462 177 T N 1.198 115.893 114.554 0.236 0.000 2.746 177 T HA -0.123 4.214 4.350 -0.021 0.000 0.267 177 T C 1.375 176.233 174.700 0.262 0.000 1.039 177 T CA 1.066 63.323 62.100 0.261 0.000 1.142 177 T CB -0.380 68.711 68.868 0.372 0.000 0.866 177 T HN 0.591 8.831 8.240 -0.000 0.000 0.444 178 W N 2.592 123.965 121.300 0.122 0.000 2.321 178 W HA -0.168 4.478 4.660 -0.023 0.000 0.306 178 W C 2.265 178.750 176.519 -0.057 0.000 1.217 178 W CA 1.628 58.922 57.345 -0.085 0.000 1.257 178 W CB -0.275 29.110 29.460 -0.125 0.000 1.145 178 W HN 0.238 8.418 8.180 -0.000 0.000 0.509 179 K N 0.573 121.078 120.400 0.175 0.000 2.057 179 K HA -0.286 4.021 4.320 -0.021 0.000 0.207 179 K C 2.232 178.816 176.600 -0.028 0.000 1.049 179 K CA 1.888 58.212 56.287 0.063 0.000 0.931 179 K CB -0.585 31.975 32.500 0.099 0.000 0.714 179 K HN 0.173 8.423 8.250 -0.000 0.000 0.440 180 Q N 0.105 119.905 119.800 -0.001 0.000 2.170 180 Q HA -0.123 4.204 4.340 -0.021 0.000 0.203 180 Q C 1.892 177.840 176.000 -0.088 0.000 0.976 180 Q CA 1.473 57.263 55.803 -0.023 0.000 0.858 180 Q CB 0.032 28.782 28.738 0.018 0.000 0.907 180 Q HN 0.392 8.662 8.270 -0.000 0.000 0.433 181 M N -1.270 118.228 119.600 -0.169 0.000 2.394 181 M HA 0.020 4.487 4.480 -0.021 0.000 0.264 181 M C 1.135 177.248 176.300 -0.312 0.000 1.073 181 M CA 1.007 56.144 55.300 -0.271 0.000 1.111 181 M CB 0.287 32.616 32.600 -0.453 0.000 1.401 181 M HN 0.438 8.728 8.290 -0.000 0.000 0.448 182 G N 1.202 109.819 108.800 -0.305 0.000 2.176 182 G HA2 -0.189 3.758 3.960 -0.021 0.000 0.252 182 G HA3 -0.189 3.758 3.960 -0.021 0.000 0.252 182 G C -0.328 174.389 174.900 -0.305 0.000 1.024 182 G CA -0.230 44.727 45.100 -0.239 0.000 0.755 182 G HN 0.417 8.707 8.290 -0.000 0.000 0.507 183 E N 0.020 119.896 120.200 -0.539 0.000 2.384 183 E HA 0.150 4.488 4.350 -0.021 0.000 0.266 183 E C 1.398 177.873 176.600 -0.208 0.000 1.012 183 E CA -0.315 55.772 56.400 -0.521 0.000 0.901 183 E CB 0.654 29.678 29.700 -1.126 0.000 0.967 183 E HN 0.388 8.748 8.360 -0.000 0.000 0.435 184 Q N 1.444 121.181 119.800 -0.104 0.000 2.079 184 Q HA -0.099 4.228 4.340 -0.021 0.000 0.200 184 Q C 0.834 176.867 176.000 0.054 0.000 0.974 184 Q CA 1.037 56.828 55.803 -0.021 0.000 0.840 184 Q CB -0.152 28.574 28.738 -0.020 0.000 0.898 184 Q HN 0.224 8.494 8.270 -0.000 0.000 0.430 185 R N 2.060 122.621 120.500 0.102 0.000 2.390 185 R HA 0.088 4.415 4.340 -0.021 0.000 0.291 185 R C -0.452 176.047 176.300 0.331 0.000 1.070 185 R CA 0.118 56.316 56.100 0.163 0.000 1.014 185 R CB 0.463 30.850 30.300 0.145 0.000 1.007 185 R HN 0.026 8.296 8.270 -0.000 0.000 0.466 186 E N 2.629 122.948 120.200 0.198 0.000 2.390 186 E HA 0.035 4.372 4.350 -0.021 0.000 0.261 186 E C -0.553 175.941 176.600 -0.176 0.000 1.076 186 E CA -0.656 55.842 56.400 0.164 0.000 0.905 186 E CB 0.701 30.434 29.700 0.055 0.000 0.984 186 E HN 0.296 8.656 8.360 -0.000 0.000 0.427 187 L N 3.856 124.681 121.223 -0.663 0.000 2.385 187 L HA -0.000 4.327 4.340 -0.021 0.000 0.281 187 L C -0.111 176.476 176.870 -0.473 0.000 1.106 187 L CA 0.258 54.469 54.840 -1.047 0.000 0.856 187 L CB 0.147 41.371 42.059 -1.391 0.000 1.186 187 L HN 0.337 8.567 8.230 -0.000 0.000 0.453 188 Q N 4.045 123.589 119.800 -0.427 0.000 2.443 188 Q HA 0.273 4.601 4.340 -0.021 0.000 0.232 188 Q C -0.480 175.410 176.000 -0.184 0.000 1.026 188 Q CA 0.064 55.673 55.803 -0.323 0.000 0.924 188 Q CB 0.975 29.286 28.738 -0.711 0.000 1.256 188 Q HN 0.684 8.954 8.270 -0.000 0.000 0.519 189 E N -1.199 118.983 120.200 -0.030 0.000 2.321 189 E HA 0.593 4.930 4.350 -0.021 0.000 0.281 189 E C -1.154 175.506 176.600 0.100 0.000 0.910 189 E CA -0.323 56.083 56.400 0.010 0.000 0.770 189 E CB 1.396 31.088 29.700 -0.014 0.000 1.225 189 E HN 0.728 9.088 8.360 -0.000 0.000 0.417 190 G N 1.322 110.167 108.800 0.075 0.000 2.348 190 G HA2 0.249 4.196 3.960 -0.021 0.000 0.296 190 G HA3 0.249 4.196 3.960 -0.021 0.000 0.296 190 G C -1.235 173.683 174.900 0.030 0.000 1.258 190 G CA -0.568 44.581 45.100 0.081 0.000 0.868 190 G HN 0.355 8.645 8.290 -0.000 0.000 0.488 191 T N 0.530 115.105 114.554 0.036 0.000 2.795 191 T HA 0.492 4.829 4.350 -0.021 0.000 0.282 191 T C -1.237 173.515 174.700 0.087 0.000 0.980 191 T CA 0.031 62.153 62.100 0.036 0.000 1.012 191 T CB 1.232 70.113 68.868 0.022 0.000 0.936 191 T HN 0.491 8.731 8.240 -0.000 0.000 0.457 192 Y N 3.980 124.271 120.300 -0.015 0.000 2.367 192 Y HA 0.554 5.092 4.550 -0.020 0.000 0.342 192 Y C -0.270 175.652 175.900 0.037 0.000 0.979 192 Y CA -0.766 57.340 58.100 0.010 0.000 1.161 192 Y CB 0.716 39.175 38.460 -0.002 0.000 1.155 192 Y HN 0.433 8.713 8.280 -0.000 0.000 0.503 193 V N 9.101 128.822 119.914 -0.320 0.000 2.432 193 V HA 0.295 4.402 4.120 -0.021 0.000 0.275 193 V C -0.300 175.509 176.094 -0.475 0.000 1.043 193 V CA -0.691 61.457 62.300 -0.253 0.000 0.925 193 V CB 1.019 32.743 31.823 -0.164 0.000 0.985 193 V HN 0.938 9.128 8.190 -0.000 0.000 0.466 194 M N 7.248 126.728 119.600 -0.200 0.000 2.120 194 M HA 0.461 4.928 4.480 -0.021 0.000 0.354 194 M C -1.159 175.096 176.300 -0.075 0.000 1.287 194 M CA -0.078 55.160 55.300 -0.104 0.000 1.103 194 M CB 1.273 33.913 32.600 0.067 0.000 1.623 194 M HN 0.555 8.845 8.290 -0.000 0.000 0.471 195 V N 4.281 124.159 119.914 -0.060 0.000 2.881 195 V HA 0.522 4.630 4.120 -0.021 0.000 0.316 195 V C 0.734 176.862 176.094 0.056 0.000 1.070 195 V CA -0.027 62.265 62.300 -0.013 0.000 0.976 195 V CB 1.751 33.548 31.823 -0.044 0.000 1.038 195 V HN 1.047 9.237 8.190 -0.000 0.000 0.446 196 A N 2.173 125.038 122.820 0.074 0.000 1.898 196 A HA 0.491 4.798 4.320 -0.021 0.000 0.214 196 A C 1.320 179.018 177.584 0.190 0.000 1.183 196 A CA 1.302 53.413 52.037 0.124 0.000 0.622 196 A CB -0.870 18.187 19.000 0.096 0.000 0.824 196 A HN 2.113 10.263 8.150 -0.000 0.000 0.444 197 G N -0.933 107.946 108.800 0.132 0.000 2.693 197 G HA2 -0.165 3.782 3.960 -0.021 0.000 0.226 197 G HA3 -0.165 3.782 3.960 -0.021 0.000 0.226 197 G C -1.135 173.824 174.900 0.098 0.000 1.354 197 G CA 0.020 45.187 45.100 0.111 0.000 0.873 197 G HN 0.392 8.682 8.290 -0.000 0.000 0.562 198 P HA 0.145 4.565 4.420 -0.000 0.000 0.234 198 P C 1.206 178.468 177.300 -0.063 0.000 1.175 198 P CA 1.148 64.142 63.100 -0.178 0.000 0.801 198 P CB -0.139 31.383 31.700 -0.296 0.000 0.891 199 S N 0.132 115.830 115.700 -0.004 0.000 2.560 199 S HA 0.119 4.576 4.470 -0.021 0.000 0.284 199 S C 0.148 174.877 174.600 0.214 0.000 1.327 199 S CA -0.468 57.753 58.200 0.035 0.000 1.055 199 S CB -0.220 62.992 63.200 0.019 0.000 0.868 199 S HN -0.160 8.150 8.310 -0.000 0.000 0.506 200 F N 1.140 121.054 119.950 -0.060 0.000 2.368 200 F HA 0.428 4.942 4.527 -0.022 0.000 0.308 200 F C 1.124 176.904 175.800 -0.033 0.000 1.198 200 F CA -1.077 56.894 58.000 -0.049 0.000 1.130 200 F CB 0.164 39.136 39.000 -0.046 0.000 1.300 200 F HN 0.539 8.839 8.300 -0.000 0.000 0.537 201 Q N 0.062 119.918 119.800 0.093 0.000 2.340 201 Q HA 0.253 4.580 4.340 -0.021 0.000 0.249 201 Q C 0.179 176.203 176.000 0.039 0.000 0.957 201 Q CA -0.255 55.561 55.803 0.021 0.000 0.882 201 Q CB 0.718 29.423 28.738 -0.054 0.000 1.235 201 Q HN 0.691 8.961 8.270 -0.000 0.000 0.439 202 T N -2.313 112.259 114.554 0.031 0.000 2.788 202 T HA 0.200 4.537 4.350 -0.021 0.000 0.287 202 T C 1.180 175.876 174.700 -0.006 0.000 1.007 202 T CA -0.700 61.420 62.100 0.033 0.000 1.005 202 T CB 0.513 69.411 68.868 0.050 0.000 1.012 202 T HN 0.259 8.499 8.240 -0.000 0.000 0.530 203 V N 1.897 121.796 119.914 -0.026 0.000 2.287 203 V HA -0.143 3.964 4.120 -0.021 0.000 0.248 203 V C 3.139 179.181 176.094 -0.087 0.000 1.053 203 V CA 2.415 64.632 62.300 -0.137 0.000 1.027 203 V CB -1.683 29.895 31.823 -0.409 0.000 0.646 203 V HN 1.089 9.279 8.190 -0.000 0.000 0.447 204 A N -0.411 122.407 122.820 -0.002 0.000 1.917 204 A HA -0.308 3.999 4.320 -0.021 0.000 0.219 204 A C 2.155 179.737 177.584 -0.003 0.000 1.182 204 A CA 2.307 54.356 52.037 0.021 0.000 0.633 204 A CB -0.515 18.523 19.000 0.062 0.000 0.819 204 A HN 0.660 8.810 8.150 -0.000 0.000 0.448 205 E N -1.252 118.945 120.200 -0.005 0.000 2.107 205 E HA -0.141 4.196 4.350 -0.021 0.000 0.191 205 E C 2.107 178.685 176.600 -0.036 0.000 0.982 205 E CA 0.931 57.324 56.400 -0.012 0.000 0.809 205 E CB -0.389 29.308 29.700 -0.004 0.000 0.756 205 E HN 0.738 9.098 8.360 -0.000 0.000 0.459 206 C N 1.422 120.690 119.300 -0.053 0.000 2.413 206 C HA -0.117 4.331 4.460 -0.021 0.000 0.276 206 C C 2.531 177.478 174.990 -0.073 0.000 1.248 206 C CA 0.838 59.810 59.018 -0.076 0.000 1.742 206 C CB -0.760 26.925 27.740 -0.092 0.000 2.017 206 C HN 0.327 8.557 8.230 -0.000 0.000 0.481 207 R N 0.484 120.944 120.500 -0.066 0.000 2.120 207 R HA -0.107 4.220 4.340 -0.021 0.000 0.234 207 R C 2.278 178.554 176.300 -0.040 0.000 1.123 207 R CA 1.851 57.917 56.100 -0.057 0.000 0.975 207 R CB -0.727 29.543 30.300 -0.050 0.000 0.866 207 R HN 0.730 9.000 8.270 -0.000 0.000 0.446 208 V N -0.738 119.159 119.914 -0.028 0.000 2.379 208 V HA -0.138 3.970 4.120 -0.021 0.000 0.245 208 V C 2.023 178.104 176.094 -0.022 0.000 1.044 208 V CA 1.304 63.594 62.300 -0.017 0.000 1.036 208 V CB -0.455 31.366 31.823 -0.003 0.000 0.664 208 V HN 0.022 8.212 8.190 -0.000 0.000 0.453 209 L N 0.595 121.797 121.223 -0.035 0.000 2.012 209 L HA -0.173 4.155 4.340 -0.021 0.000 0.210 209 L C 2.838 179.674 176.870 -0.057 0.000 1.073 209 L CA 2.310 57.122 54.840 -0.047 0.000 0.748 209 L CB -1.517 40.497 42.059 -0.074 0.000 0.891 209 L HN 0.459 8.689 8.230 -0.000 0.000 0.431 210 Q N -0.680 119.079 119.800 -0.068 0.000 2.030 210 Q HA -0.254 4.073 4.340 -0.021 0.000 0.204 210 Q C 2.223 178.191 176.000 -0.054 0.000 0.986 210 Q CA 1.930 57.687 55.803 -0.076 0.000 0.843 210 Q CB -0.175 28.515 28.738 -0.081 0.000 0.904 210 Q HN 0.433 8.703 8.270 -0.000 0.000 0.420 211 K N 0.070 120.447 120.400 -0.039 0.000 2.152 211 K HA -0.152 4.156 4.320 -0.021 0.000 0.206 211 K C 1.743 178.334 176.600 -0.014 0.000 1.048 211 K CA 0.782 57.054 56.287 -0.025 0.000 0.933 211 K CB -0.052 32.437 32.500 -0.017 0.000 0.721 211 K HN 0.055 8.305 8.250 -0.000 0.000 0.447 212 L N -0.265 120.953 121.223 -0.008 0.000 2.456 212 L HA -0.033 4.295 4.340 -0.021 0.000 0.224 212 L C 1.322 178.197 176.870 0.008 0.000 1.148 212 L CA 1.690 56.537 54.840 0.013 0.000 0.825 212 L CB -0.549 41.528 42.059 0.029 0.000 0.937 212 L HN 0.512 8.742 8.230 -0.000 0.000 0.450 213 G N -2.021 106.769 108.800 -0.017 0.000 2.144 213 G HA2 -0.156 3.792 3.960 -0.021 0.000 0.218 213 G HA3 -0.156 3.792 3.960 -0.021 0.000 0.218 213 G C 0.429 175.307 174.900 -0.037 0.000 0.988 213 G CA -0.013 45.072 45.100 -0.024 0.000 0.659 213 G HN 0.660 8.950 8.290 -0.000 0.000 0.522 214 A N 0.075 122.865 122.820 -0.051 0.000 2.363 214 A HA 0.633 4.940 4.320 -0.021 0.000 0.270 214 A C 0.963 178.475 177.584 -0.120 0.000 1.121 214 A CA 0.410 52.406 52.037 -0.069 0.000 0.800 214 A CB 0.454 19.405 19.000 -0.081 0.000 1.052 214 A HN 0.187 8.337 8.150 -0.000 0.000 0.493 215 D N 0.798 121.126 120.400 -0.120 0.000 2.355 215 D HA 0.309 4.936 4.640 -0.021 0.000 0.206 215 D C 0.485 176.674 176.300 -0.184 0.000 1.010 215 D CA 1.356 55.208 54.000 -0.247 0.000 0.875 215 D CB 0.548 41.233 40.800 -0.192 0.000 0.966 215 D HN 0.670 9.040 8.370 -0.000 0.000 0.512 216 A N 0.586 123.375 122.820 -0.051 0.000 2.574 216 A HA 0.523 4.830 4.320 -0.021 0.000 0.297 216 A C -1.472 175.997 177.584 -0.191 0.000 1.062 216 A CA -0.585 51.449 52.037 -0.005 0.000 0.686 216 A CB 2.319 21.444 19.000 0.208 0.000 1.285 216 A HN -0.058 8.092 8.150 -0.000 0.000 0.403 217 V N 1.288 121.064 119.914 -0.230 0.000 2.656 217 V HA 0.957 5.065 4.120 -0.021 0.000 0.307 217 V C 0.170 176.054 176.094 -0.351 0.000 1.051 217 V CA 0.751 62.820 62.300 -0.385 0.000 0.893 217 V CB 1.722 33.383 31.823 -0.270 0.000 0.999 217 V HN 1.977 10.167 8.190 -0.000 0.000 0.426 218 G N 4.579 113.097 108.800 -0.471 0.000 2.663 218 G HA2 0.484 4.431 3.960 -0.021 0.000 0.299 218 G HA3 0.484 4.431 3.960 -0.021 0.000 0.299 218 G C -0.748 174.188 174.900 0.059 0.000 1.372 218 G CA -0.601 44.462 45.100 -0.062 0.000 0.781 218 G HN 0.681 8.971 8.290 -0.000 0.000 0.491 219 M N 1.240 121.001 119.600 0.270 0.000 2.685 219 M HA 0.325 4.792 4.480 -0.021 0.000 0.355 219 M C 0.519 177.049 176.300 0.383 0.000 1.197 219 M CA -0.291 55.202 55.300 0.321 0.000 0.947 219 M CB 0.715 33.569 32.600 0.424 0.000 1.346 219 M HN 0.585 8.875 8.290 -0.000 0.000 0.516 220 S N -2.212 113.711 115.700 0.372 0.000 2.973 220 S HA 0.670 5.127 4.470 -0.021 0.000 0.317 220 S C 0.555 175.233 174.600 0.130 0.000 1.196 220 S CA 0.344 58.679 58.200 0.225 0.000 0.894 220 S CB 1.843 65.167 63.200 0.206 0.000 1.292 220 S HN 0.248 8.558 8.310 -0.000 0.000 0.614 221 T N -0.001 114.548 114.554 -0.009 0.000 12.892 221 T HA -0.263 4.075 4.350 -0.021 0.000 0.418 221 T C 1.355 176.006 174.700 -0.082 0.000 1.450 221 T CA 1.679 63.721 62.100 -0.097 0.000 2.382 221 T CB -2.201 66.487 68.868 -0.301 0.000 2.816 221 T HN 0.973 9.213 8.240 -0.000 0.000 0.702 222 V N 3.024 122.895 119.914 -0.071 0.000 2.287 222 V HA -0.159 3.948 4.120 -0.021 0.000 0.248 222 V C -0.247 175.748 176.094 -0.166 0.000 1.053 222 V CA 2.792 64.967 62.300 -0.208 0.000 1.027 222 V CB -1.585 30.041 31.823 -0.329 0.000 0.646 222 V HN 0.429 8.619 8.190 -0.000 0.000 0.447 223 P HA -0.163 4.257 4.420 -0.000 0.000 0.216 223 P C 1.536 178.788 177.300 -0.080 0.000 1.153 223 P CA 1.487 64.537 63.100 -0.083 0.000 0.858 223 P CB 0.004 31.667 31.700 -0.062 0.000 0.789 224 E N -0.786 119.369 120.200 -0.074 0.000 2.051 224 E HA -0.124 4.213 4.350 -0.021 0.000 0.192 224 E C 2.053 178.615 176.600 -0.063 0.000 0.991 224 E CA 1.022 57.381 56.400 -0.069 0.000 0.799 224 E CB -1.199 28.469 29.700 -0.052 0.000 0.748 224 E HN -0.016 8.344 8.360 -0.000 0.000 0.449 225 V N 1.060 120.940 119.914 -0.056 0.000 2.287 225 V HA -0.274 3.834 4.120 -0.021 0.000 0.248 225 V C 2.182 178.243 176.094 -0.055 0.000 1.053 225 V CA 1.658 63.921 62.300 -0.062 0.000 1.027 225 V CB -0.449 31.362 31.823 -0.021 0.000 0.646 225 V HN 0.284 8.474 8.190 -0.000 0.000 0.447 226 I N 0.444 120.997 120.570 -0.028 0.000 2.151 226 I HA -0.249 3.908 4.170 -0.021 0.000 0.243 226 I C 2.553 178.651 176.117 -0.031 0.000 1.080 226 I CA 2.163 63.456 61.300 -0.012 0.000 1.339 226 I CB -0.514 37.472 38.000 -0.023 0.000 1.039 226 I HN 0.404 8.614 8.210 -0.000 0.000 0.409 227 V N -0.308 119.565 119.914 -0.068 0.000 2.453 227 V HA -0.088 4.019 4.120 -0.021 0.000 0.247 227 V C 2.559 178.607 176.094 -0.077 0.000 1.048 227 V CA 1.474 63.720 62.300 -0.089 0.000 1.049 227 V CB -0.799 30.926 31.823 -0.164 0.000 0.672 227 V HN 0.310 8.500 8.190 -0.000 0.000 0.457 228 A N 0.850 123.623 122.820 -0.078 0.000 1.908 228 A HA -0.183 4.124 4.320 -0.021 0.000 0.218 228 A C 2.355 179.905 177.584 -0.056 0.000 1.181 228 A CA 2.047 54.046 52.037 -0.063 0.000 0.627 228 A CB -0.616 18.360 19.000 -0.040 0.000 0.818 228 A HN 0.537 8.687 8.150 -0.000 0.000 0.445 229 R N -1.080 119.391 120.500 -0.048 0.000 2.090 229 R HA -0.094 4.233 4.340 -0.021 0.000 0.228 229 R C 2.109 178.402 176.300 -0.011 0.000 1.110 229 R CA 1.352 57.428 56.100 -0.041 0.000 0.973 229 R CB -1.211 29.056 30.300 -0.054 0.000 0.869 229 R HN 0.855 9.125 8.270 -0.000 0.000 0.440 230 H N -0.148 118.867 119.070 -0.092 0.000 2.390 230 H HA -0.138 4.405 4.556 -0.022 0.000 0.298 230 H C 1.308 176.566 175.328 -0.117 0.000 1.106 230 H CA 1.682 57.675 56.048 -0.092 0.000 1.297 230 H CB 0.291 29.987 29.762 -0.110 0.000 1.375 230 H HN 0.138 8.418 8.280 -0.000 0.000 0.509 231 C N -0.059 119.120 119.300 -0.202 0.000 2.481 231 C HA 0.156 4.603 4.460 -0.021 0.000 0.275 231 C C 1.886 176.747 174.990 -0.214 0.000 1.419 231 C CA 0.858 59.665 59.018 -0.351 0.000 1.773 231 C CB -0.605 26.885 27.740 -0.417 0.000 1.862 231 C HN 0.896 9.126 8.230 -0.000 0.000 0.530 232 G N 0.093 108.830 108.800 -0.106 0.000 2.143 232 G HA2 -0.207 3.740 3.960 -0.021 0.000 0.249 232 G HA3 -0.207 3.740 3.960 -0.021 0.000 0.249 232 G C -0.164 174.746 174.900 0.016 0.000 0.981 232 G CA -0.224 44.856 45.100 -0.033 0.000 0.665 232 G HN 0.354 8.644 8.290 -0.000 0.000 0.528 233 L N 0.617 121.851 121.223 0.018 0.000 2.456 233 L HA 0.351 4.678 4.340 -0.021 0.000 0.272 233 L C 1.385 178.270 176.870 0.025 0.000 1.189 233 L CA -0.010 54.858 54.840 0.048 0.000 0.846 233 L CB 0.541 42.631 42.059 0.052 0.000 1.111 233 L HN 0.356 8.586 8.230 -0.000 0.000 0.475 234 R N 2.101 122.630 120.500 0.049 0.000 2.442 234 R HA 0.438 4.765 4.340 -0.021 0.000 0.291 234 R C -1.364 174.984 176.300 0.080 0.000 1.069 234 R CA -0.273 55.863 56.100 0.061 0.000 1.022 234 R CB 0.547 30.900 30.300 0.088 0.000 0.976 234 R HN 0.442 8.712 8.270 -0.000 0.000 0.443 235 V N 6.511 126.463 119.914 0.064 0.000 2.588 235 V HA 0.531 4.638 4.120 -0.021 0.000 0.304 235 V C -0.670 175.551 176.094 0.211 0.000 1.042 235 V CA -0.673 61.654 62.300 0.046 0.000 0.877 235 V CB 1.367 33.117 31.823 -0.121 0.000 0.996 235 V HN 0.748 8.938 8.190 -0.000 0.000 0.425 236 F N 1.662 121.613 119.950 0.002 0.000 2.626 236 F HA 1.047 5.561 4.527 -0.021 0.000 0.311 236 F C -0.012 175.731 175.800 -0.095 0.000 1.088 236 F CA -0.600 57.390 58.000 -0.016 0.000 0.949 236 F CB 2.184 41.134 39.000 -0.084 0.000 1.322 236 F HN 0.770 9.070 8.300 -0.000 0.000 0.461 237 G N 0.710 109.330 108.800 -0.300 0.000 2.623 237 G HA2 0.642 4.589 3.960 -0.021 0.000 0.290 237 G HA3 0.642 4.589 3.960 -0.021 0.000 0.290 237 G C -2.546 171.919 174.900 -0.725 0.000 1.437 237 G CA -0.982 43.860 45.100 -0.430 0.000 0.798 237 G HN 0.636 8.926 8.290 -0.000 0.000 0.488 238 F N -0.084 119.834 119.950 -0.053 0.000 2.578 238 F HA 0.683 5.197 4.527 -0.022 0.000 0.311 238 F C 0.332 176.111 175.800 -0.036 0.000 1.094 238 F CA -0.792 57.197 58.000 -0.019 0.000 0.923 238 F CB 2.899 41.925 39.000 0.042 0.000 1.230 238 F HN 0.340 8.640 8.300 -0.000 0.000 0.450 239 S N 2.502 118.296 115.700 0.158 0.000 2.451 239 S HA 0.561 5.018 4.470 -0.021 0.000 0.301 239 S C -1.143 173.535 174.600 0.130 0.000 1.116 239 S CA -0.503 57.781 58.200 0.140 0.000 1.093 239 S CB 1.443 64.755 63.200 0.188 0.000 1.017 239 S HN 0.486 8.796 8.310 -0.000 0.000 0.482 240 L N 5.014 126.308 121.223 0.118 0.000 2.265 240 L HA 0.443 4.770 4.340 -0.021 0.000 0.288 240 L C -0.691 176.230 176.870 0.085 0.000 1.058 240 L CA -0.280 54.610 54.840 0.084 0.000 0.809 240 L CB 0.274 42.382 42.059 0.082 0.000 1.179 240 L HN 0.497 8.727 8.230 -0.000 0.000 0.429 241 I N 5.598 126.202 120.570 0.058 0.000 2.389 241 I HA 0.042 4.199 4.170 -0.021 0.000 0.295 241 I C 1.524 177.684 176.117 0.072 0.000 1.117 241 I CA 0.285 61.633 61.300 0.080 0.000 1.317 241 I CB -0.062 37.986 38.000 0.080 0.000 1.431 241 I HN 0.789 8.999 8.210 -0.000 0.000 0.521 242 T N 1.272 115.872 114.554 0.077 0.000 3.054 242 T HA 0.055 4.393 4.350 -0.021 0.000 0.259 242 T C 0.417 175.159 174.700 0.071 0.000 1.092 242 T CA 0.127 62.272 62.100 0.074 0.000 1.121 242 T CB 0.124 69.044 68.868 0.086 0.000 0.912 242 T HN 0.656 8.896 8.240 -0.000 0.000 0.489 243 D N -0.310 120.129 120.400 0.065 0.000 2.706 243 D HA 0.198 4.826 4.640 -0.021 0.000 0.225 243 D C -1.611 174.717 176.300 0.046 0.000 1.241 243 D CA -0.853 53.182 54.000 0.059 0.000 0.784 243 D CB 1.582 42.422 40.800 0.067 0.000 1.521 243 D HN 0.064 8.434 8.370 -0.000 0.000 0.461 244 K N 1.008 121.436 120.400 0.046 0.000 2.316 244 K HA 0.317 4.624 4.320 -0.021 0.000 0.289 244 K C 0.425 177.026 176.600 0.001 0.000 1.070 244 K CA -0.681 55.625 56.287 0.032 0.000 0.928 244 K CB 1.563 34.085 32.500 0.036 0.000 1.039 244 K HN 0.402 8.652 8.250 -0.000 0.000 0.480 245 V N 2.521 122.418 119.914 -0.030 0.000 2.555 245 V HA 0.185 4.293 4.120 -0.021 0.000 0.286 245 V C 0.351 176.413 176.094 -0.054 0.000 1.044 245 V CA -0.750 61.518 62.300 -0.053 0.000 1.026 245 V CB 0.331 32.095 31.823 -0.098 0.000 0.981 245 V HN 0.498 8.688 8.190 -0.000 0.000 0.480 246 I N 7.056 127.599 120.570 -0.045 0.000 2.587 246 I HA 0.110 4.267 4.170 -0.021 0.000 0.284 246 I C 0.932 176.984 176.117 -0.108 0.000 1.134 246 I CA 0.472 61.735 61.300 -0.061 0.000 1.410 246 I CB 1.004 38.979 38.000 -0.042 0.000 1.392 246 I HN 0.980 9.190 8.210 -0.000 0.000 0.545 247 M N 3.874 123.400 119.600 -0.123 0.000 2.496 247 M HA 0.366 4.833 4.480 -0.021 0.000 0.330 247 M C -0.872 175.301 176.300 -0.212 0.000 1.133 247 M CA -0.369 54.840 55.300 -0.151 0.000 0.964 247 M CB 0.099 32.633 32.600 -0.110 0.000 1.401 247 M HN 0.504 8.794 8.290 -0.000 0.000 0.520 248 D N -2.071 118.165 120.400 -0.273 0.000 2.713 248 D HA 0.222 4.849 4.640 -0.021 0.000 0.306 248 D C -0.461 175.591 176.300 -0.414 0.000 1.299 248 D CA -0.744 53.026 54.000 -0.383 0.000 0.823 248 D CB 0.392 41.099 40.800 -0.154 0.000 1.353 248 D HN 0.041 8.411 8.370 -0.000 0.000 0.447 249 Y N -0.777 119.525 120.300 0.003 0.000 2.503 249 Y HA 0.225 4.762 4.550 -0.021 0.000 0.278 249 Y C 2.236 178.139 175.900 0.005 0.000 1.111 249 Y CA 0.363 58.465 58.100 0.004 0.000 1.270 249 Y CB -0.054 38.408 38.460 0.003 0.000 1.063 249 Y HN 0.595 8.875 8.280 -0.000 0.000 0.548 250 E N 0.887 121.163 120.200 0.127 0.000 2.038 250 E HA -0.187 4.150 4.350 -0.021 0.000 0.195 250 E C 1.527 178.156 176.600 0.049 0.000 1.000 250 E CA 1.932 58.377 56.400 0.076 0.000 0.803 250 E CB -0.067 29.664 29.700 0.051 0.000 0.750 250 E HN 0.419 8.779 8.360 -0.000 0.000 0.448 251 S N 0.210 115.924 115.700 0.024 0.000 2.701 251 S HA 0.079 4.536 4.470 -0.021 0.000 0.220 251 S C 1.608 176.217 174.600 0.015 0.000 0.954 251 S CA -0.162 58.047 58.200 0.015 0.000 0.936 251 S CB 0.246 63.447 63.200 0.000 0.000 0.777 251 S HN 0.274 8.584 8.310 -0.000 0.000 0.518 252 L N 0.846 122.088 121.223 0.031 0.000 2.168 252 L HA 0.118 4.446 4.340 -0.021 0.000 0.203 252 L C 2.459 179.360 176.870 0.052 0.000 1.078 252 L CA 0.977 55.843 54.840 0.044 0.000 0.780 252 L CB -0.172 41.935 42.059 0.079 0.000 0.939 252 L HN 0.257 8.487 8.230 -0.000 0.000 0.451 253 E N 0.451 120.686 120.200 0.059 0.000 2.049 253 E HA -0.228 4.109 4.350 -0.021 0.000 0.198 253 E C 0.333 176.954 176.600 0.035 0.000 1.007 253 E CA 1.189 57.617 56.400 0.046 0.000 0.809 253 E CB 0.024 29.751 29.700 0.045 0.000 0.749 253 E HN 0.265 8.625 8.360 -0.000 0.000 0.450 254 K N 0.986 121.406 120.400 0.033 0.000 2.315 254 K HA 0.140 4.448 4.320 -0.021 0.000 0.281 254 K C -0.628 175.989 176.600 0.029 0.000 1.086 254 K CA -0.318 55.986 56.287 0.029 0.000 1.042 254 K CB 0.762 33.278 32.500 0.027 0.000 0.949 254 K HN 0.082 8.332 8.250 -0.000 0.000 0.450 255 A N 3.689 126.526 122.820 0.029 0.000 2.282 255 A HA 0.576 4.883 4.320 -0.021 0.000 0.324 255 A C -0.306 177.298 177.584 0.034 0.000 1.119 255 A CA -0.812 51.242 52.037 0.028 0.000 0.880 255 A CB 0.780 19.794 19.000 0.022 0.000 1.294 255 A HN 0.903 9.053 8.150 -0.000 0.000 0.493 256 N N -1.488 117.235 118.700 0.037 0.000 3.102 256 N HA 0.228 4.955 4.740 -0.021 0.000 0.299 256 N C -0.518 175.035 175.510 0.071 0.000 1.482 256 N CA -0.773 52.313 53.050 0.061 0.000 0.785 256 N CB 0.621 39.150 38.487 0.069 0.000 1.680 256 N HN 0.668 9.048 8.380 -0.000 0.000 0.594 257 H N 0.417 119.495 119.070 0.013 0.000 3.681 257 H HA -0.005 4.538 4.556 -0.021 0.000 0.242 257 H C -0.708 174.628 175.328 0.014 0.000 1.428 257 H CA 0.264 56.320 56.048 0.012 0.000 1.560 257 H CB -0.325 29.444 29.762 0.011 0.000 1.762 257 H HN 0.556 8.836 8.280 -0.000 0.000 0.592 258 E N 3.619 123.718 120.200 -0.169 0.000 2.344 258 E HA 0.051 4.389 4.350 -0.021 0.000 0.270 258 E C -0.346 176.146 176.600 -0.180 0.000 1.021 258 E CA 0.089 56.420 56.400 -0.115 0.000 0.887 258 E CB 0.312 29.969 29.700 -0.072 0.000 0.997 258 E HN 0.803 9.163 8.360 -0.000 0.000 0.429 259 E N 3.500 123.658 120.200 -0.070 0.000 2.287 259 E HA -0.009 4.328 4.350 -0.021 0.000 0.238 259 E C 0.231 176.843 176.600 0.021 0.000 1.113 259 E CA 0.375 56.751 56.400 -0.041 0.000 0.578 259 E CB -0.641 29.016 29.700 -0.072 0.000 1.006 259 E HN 0.431 8.791 8.360 -0.000 0.000 0.433 260 V N -0.087 119.842 119.914 0.025 0.000 2.568 260 V HA -0.216 3.891 4.120 -0.021 0.000 0.253 260 V C 1.959 178.079 176.094 0.043 0.000 1.072 260 V CA 1.735 64.061 62.300 0.043 0.000 1.084 260 V CB -0.753 31.101 31.823 0.051 0.000 0.676 260 V HN 0.491 8.681 8.190 -0.000 0.000 0.469 261 L N 2.068 123.311 121.223 0.033 0.000 1.933 261 L HA -0.027 4.300 4.340 -0.021 0.000 0.220 261 L C 2.467 179.358 176.870 0.035 0.000 1.078 261 L CA 2.978 57.837 54.840 0.032 0.000 0.773 261 L CB -1.366 40.706 42.059 0.020 0.000 0.890 261 L HN 0.317 8.547 8.230 -0.000 0.000 0.434 262 A N -1.462 121.378 122.820 0.034 0.000 2.218 262 A HA 0.407 4.714 4.320 -0.021 0.000 0.209 262 A C 2.142 179.746 177.584 0.034 0.000 1.168 262 A CA 0.851 52.908 52.037 0.032 0.000 0.804 262 A CB -0.793 18.225 19.000 0.030 0.000 0.834 262 A HN 0.625 8.775 8.150 -0.000 0.000 0.482 263 A N -0.485 122.358 122.820 0.039 0.000 2.072 263 A HA 0.291 4.598 4.320 -0.021 0.000 0.216 263 A C 2.136 179.742 177.584 0.036 0.000 1.156 263 A CA 1.167 53.226 52.037 0.037 0.000 0.701 263 A CB -0.862 18.162 19.000 0.041 0.000 0.816 263 A HN 0.641 8.791 8.150 -0.000 0.000 0.458 264 G N -0.004 108.819 108.800 0.040 0.000 2.535 264 G HA2 -0.185 3.762 3.960 -0.021 0.000 0.218 264 G HA3 -0.185 3.762 3.960 -0.021 0.000 0.218 264 G C 1.541 176.464 174.900 0.038 0.000 1.122 264 G CA 0.985 46.111 45.100 0.042 0.000 0.769 264 G HN 0.572 8.862 8.290 -0.000 0.000 0.549 265 K N -0.165 120.254 120.400 0.032 0.000 1.991 265 K HA -0.036 4.271 4.320 -0.021 0.000 0.207 265 K C 2.639 179.255 176.600 0.025 0.000 1.045 265 K CA 1.118 57.421 56.287 0.027 0.000 0.937 265 K CB -0.239 32.275 32.500 0.023 0.000 0.720 265 K HN 0.254 8.504 8.250 -0.000 0.000 0.438 266 Q N 0.223 120.036 119.800 0.022 0.000 2.112 266 Q HA -0.195 4.132 4.340 -0.021 0.000 0.206 266 Q C 2.091 178.105 176.000 0.023 0.000 0.987 266 Q CA 1.764 57.577 55.803 0.017 0.000 0.858 266 Q CB -0.190 28.556 28.738 0.013 0.000 0.905 266 Q HN 0.358 8.628 8.270 -0.000 0.000 0.420 267 A N 0.542 123.381 122.820 0.030 0.000 1.897 267 A HA -0.034 4.273 4.320 -0.021 0.000 0.215 267 A C 2.219 179.829 177.584 0.044 0.000 1.181 267 A CA 1.402 53.463 52.037 0.039 0.000 0.620 267 A CB -0.625 18.400 19.000 0.041 0.000 0.821 267 A HN 0.401 8.551 8.150 -0.000 0.000 0.443 268 A N -0.940 121.905 122.820 0.042 0.000 1.897 268 A HA -0.149 4.158 4.320 -0.021 0.000 0.215 268 A C 2.121 179.729 177.584 0.039 0.000 1.181 268 A CA 1.551 53.614 52.037 0.044 0.000 0.620 268 A CB -0.551 18.475 19.000 0.043 0.000 0.821 268 A HN 0.603 8.753 8.150 -0.000 0.000 0.443 269 Q N -0.516 119.303 119.800 0.032 0.000 2.045 269 Q HA -0.285 4.042 4.340 -0.021 0.000 0.206 269 Q C 2.174 178.194 176.000 0.034 0.000 0.991 269 Q CA 2.241 58.060 55.803 0.027 0.000 0.851 269 Q CB -0.189 28.560 28.738 0.018 0.000 0.911 269 Q HN 0.647 8.917 8.270 -0.000 0.000 0.418 270 K N 0.538 120.958 120.400 0.034 0.000 2.059 270 K HA -0.186 4.122 4.320 -0.021 0.000 0.212 270 K C 1.870 178.524 176.600 0.090 0.000 1.050 270 K CA 1.302 57.613 56.287 0.041 0.000 0.927 270 K CB -0.397 32.126 32.500 0.039 0.000 0.714 270 K HN 0.218 8.468 8.250 -0.000 0.000 0.447 271 L N 0.531 121.803 121.223 0.083 0.000 2.109 271 L HA -0.129 4.198 4.340 -0.021 0.000 0.207 271 L C 1.789 178.692 176.870 0.055 0.000 1.086 271 L CA 1.727 56.616 54.840 0.081 0.000 0.760 271 L CB -0.351 41.738 42.059 0.049 0.000 0.910 271 L HN 0.392 8.622 8.230 -0.000 0.000 0.437 272 E N -0.180 120.047 120.200 0.045 0.000 2.047 272 E HA -0.280 4.058 4.350 -0.021 0.000 0.191 272 E C 2.085 178.710 176.600 0.042 0.000 0.987 272 E CA 1.570 57.987 56.400 0.029 0.000 0.799 272 E CB -0.114 29.600 29.700 0.024 0.000 0.752 272 E HN 0.658 9.018 8.360 -0.000 0.000 0.449 273 Q N 0.211 120.049 119.800 0.062 0.000 2.226 273 Q HA -0.177 4.150 4.340 -0.021 0.000 0.204 273 Q C 1.992 178.075 176.000 0.139 0.000 0.975 273 Q CA 1.056 56.903 55.803 0.072 0.000 0.866 273 Q CB -0.315 28.453 28.738 0.049 0.000 0.915 273 Q HN 0.243 8.513 8.270 -0.000 0.000 0.440 274 F N 2.035 121.963 119.950 -0.038 0.000 2.163 274 F HA -0.037 4.478 4.527 -0.021 0.000 0.297 274 F C 2.020 177.792 175.800 -0.046 0.000 1.094 274 F CA 0.342 58.318 58.000 -0.041 0.000 1.290 274 F CB -0.289 38.676 39.000 -0.058 0.000 1.017 274 F HN -0.133 8.167 8.300 -0.000 0.000 0.483 275 V N -0.624 119.204 119.914 -0.143 0.000 2.407 275 V HA -0.282 3.825 4.120 -0.021 0.000 0.248 275 V C 2.551 178.622 176.094 -0.039 0.000 1.055 275 V CA 1.962 64.177 62.300 -0.141 0.000 1.049 275 V CB -1.086 30.691 31.823 -0.077 0.000 0.662 275 V HN 0.310 8.500 8.190 -0.000 0.000 0.455 276 S N -0.008 115.692 115.700 0.000 0.000 2.348 276 S HA -0.153 4.305 4.470 -0.021 0.000 0.221 276 S C 1.882 176.503 174.600 0.034 0.000 1.033 276 S CA 1.855 60.071 58.200 0.026 0.000 1.010 276 S CB -0.359 62.863 63.200 0.036 0.000 0.891 276 S HN 0.514 8.824 8.310 -0.000 0.000 0.442 277 I N 1.400 122.000 120.570 0.050 0.000 2.208 277 I HA -0.188 3.969 4.170 -0.021 0.000 0.245 277 I C 1.850 177.988 176.117 0.034 0.000 1.097 277 I CA 1.132 62.472 61.300 0.067 0.000 1.363 277 I CB -0.335 37.754 38.000 0.147 0.000 1.051 277 I HN 0.216 8.426 8.210 -0.000 0.000 0.413 278 L N -0.149 121.057 121.223 -0.029 0.000 2.465 278 L HA -0.135 4.192 4.340 -0.021 0.000 0.224 278 L C 2.380 179.277 176.870 0.044 0.000 1.145 278 L CA 0.246 55.066 54.840 -0.034 0.000 0.834 278 L CB -0.342 41.654 42.059 -0.106 0.000 0.944 278 L HN 0.315 8.545 8.230 -0.000 0.000 0.451 279 M N -0.497 119.140 119.600 0.062 0.000 2.213 279 M HA -0.161 4.306 4.480 -0.021 0.000 0.263 279 M C 2.459 178.794 176.300 0.057 0.000 1.062 279 M CA 1.606 56.953 55.300 0.078 0.000 1.105 279 M CB -1.115 31.526 32.600 0.069 0.000 1.385 279 M HN 0.299 8.589 8.290 -0.000 0.000 0.417 280 A N -0.952 121.893 122.820 0.042 0.000 2.119 280 A HA -0.011 4.296 4.320 -0.021 0.000 0.217 280 A C 2.290 179.885 177.584 0.018 0.000 1.153 280 A CA 1.430 53.487 52.037 0.032 0.000 0.692 280 A CB -0.391 18.627 19.000 0.031 0.000 0.799 280 A HN 0.465 8.615 8.150 -0.000 0.000 0.458 281 S N -0.633 115.068 115.700 0.002 0.000 2.535 281 S HA 0.291 4.748 4.470 -0.021 0.000 0.214 281 S C 0.518 175.087 174.600 -0.053 0.000 0.980 281 S CA -0.401 57.782 58.200 -0.028 0.000 0.907 281 S CB -0.129 63.042 63.200 -0.048 0.000 0.790 281 S HN 0.486 8.796 8.310 -0.000 0.000 0.510 282 I N 3.567 124.122 120.570 -0.025 0.000 2.618 282 I HA 0.129 4.286 4.170 -0.021 0.000 0.284 282 I C -2.283 173.838 176.117 0.008 0.000 1.146 282 I CA -2.026 59.269 61.300 -0.009 0.000 1.425 282 I CB 0.324 38.371 38.000 0.079 0.000 1.383 282 I HN -0.046 8.164 8.210 -0.000 0.000 0.562 283 P HA 0.133 4.553 4.420 -0.000 0.000 0.270 283 P C -0.534 176.783 177.300 0.028 0.000 1.223 283 P CA -0.164 62.943 63.100 0.011 0.000 0.785 283 P CB 0.518 32.223 31.700 0.007 0.000 0.923 284 L N 2.347 123.586 121.223 0.026 0.000 2.439 284 L HA 0.470 4.797 4.340 -0.021 0.000 0.259 284 L C -1.427 175.462 176.870 0.031 0.000 1.129 284 L CA -1.628 53.231 54.840 0.033 0.000 0.803 284 L CB 0.059 42.135 42.059 0.029 0.000 1.161 284 L HN 0.404 8.634 8.230 -0.000 0.000 0.462 285 P HA 0.000 4.420 4.420 -0.000 0.000 0.216 285 P CA 0.000 63.119 63.100 0.031 0.000 0.800 285 P CB 0.000 31.721 31.700 0.035 0.000 0.726