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 3nnj_1_A DATA FIRST_RESID -12 DATA SEQUENCE LGTENLYFQS NAXXNREQVE QLKQEYEEKG YCQIKKIFDF SAIKTIQKTL DATA SEQUENCE DQXXXXXXXX XXXXXXXXXX XXXXXXXXHA YDLVKYDFVS SFIQEKLALL DATA SEQUENCE NYITGKNLXI XHNALFSVEP NHKGLPWHVG VGSFSFTKTE DFGASIWIPL DATA SEQUENCE DKITKEHRGG XQYVSTKIFP GQFYYSVFDL HLKNNIKWDE SQGDLNEYVA DATA SEQUENCE NANTIYNKIT EDVIDYTIKD GYEEDEYNLG DAFFFNKYVL HQSVPLKPGL DATA SEQUENCE HKLRRAFVIR LVDYDTRVDE ERLGLFSKYS QLHSRYYKTL PRYNKDSVLV DATA SEQUENCE XVSRAVQKGL KSPYLRDIPH VQQTLAARXA A 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 -12 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 -12 L C 0.000 176.910 176.870 0.067 0.000 1.165 -12 L CA 0.000 54.876 54.840 0.060 0.000 0.813 -12 L CB 0.000 42.098 42.059 0.066 0.000 0.961 -11 G N -0.793 108.046 108.800 0.066 0.000 2.617 -11 G HA2 -0.017 3.944 3.960 0.001 0.000 0.686 -11 G HA3 -0.017 3.944 3.960 0.001 0.000 0.686 -11 G C 0.173 175.130 174.900 0.095 0.000 1.214 -11 G CA -0.166 44.980 45.100 0.077 0.000 0.796 -11 G HN -0.164 8.126 8.290 -0.000 0.000 0.654 -10 T N 0.172 114.790 114.554 0.107 0.000 2.852 -10 T HA 0.014 4.365 4.350 0.001 0.000 0.256 -10 T C 2.116 176.960 174.700 0.240 0.000 1.038 -10 T CA 1.940 64.126 62.100 0.143 0.000 1.141 -10 T CB -0.213 68.733 68.868 0.129 0.000 0.869 -10 T HN 0.657 8.897 8.240 -0.000 0.000 0.439 -9 E N 2.134 122.462 120.200 0.213 0.000 2.070 -9 E HA -0.171 4.180 4.350 0.001 0.000 0.197 -9 E C 2.055 178.899 176.600 0.407 0.000 1.004 -9 E CA 1.293 57.858 56.400 0.275 0.000 0.805 -9 E CB -0.515 29.302 29.700 0.194 0.000 0.744 -9 E HN 0.412 8.772 8.360 -0.000 0.000 0.451 -8 N N -0.180 118.697 118.700 0.296 0.000 2.192 -8 N HA -0.187 4.553 4.740 0.001 0.000 0.188 -8 N C 1.754 177.396 175.510 0.220 0.000 1.013 -8 N CA 1.171 54.391 53.050 0.284 0.000 0.863 -8 N CB -0.144 38.444 38.487 0.169 0.000 0.990 -8 N HN 0.253 8.633 8.380 -0.000 0.000 0.430 -7 L N -0.188 121.116 121.223 0.135 0.000 2.261 -7 L HA -0.175 4.166 4.340 0.001 0.000 0.216 -7 L C 1.358 178.096 176.870 -0.221 0.000 1.114 -7 L CA 0.922 55.729 54.840 -0.056 0.000 0.777 -7 L CB -0.435 41.523 42.059 -0.169 0.000 0.910 -7 L HN 0.248 8.478 8.230 -0.000 0.000 0.440 -6 Y N -2.125 118.046 120.300 -0.214 0.000 2.523 -6 Y HA 0.023 4.573 4.550 0.001 0.000 0.279 -6 Y C 1.413 176.828 175.900 -0.809 0.000 1.139 -6 Y CA 0.417 58.186 58.100 -0.552 0.000 1.296 -6 Y CB 0.052 38.058 38.460 -0.758 0.000 1.045 -6 Y HN 0.050 8.330 8.280 -0.000 0.000 0.538 -5 F N -1.402 118.625 119.950 0.128 0.000 2.746 -5 F HA 0.243 4.770 4.527 0.001 0.000 0.320 -5 F C 0.580 176.406 175.800 0.043 0.000 1.097 -5 F CA -0.781 57.265 58.000 0.076 0.000 1.195 -5 F CB -0.079 38.964 39.000 0.072 0.000 1.056 -5 F HN -0.242 8.058 8.300 -0.000 0.000 0.562 -4 Q N 0.977 120.859 119.800 0.136 0.000 2.327 -4 Q HA 0.438 4.778 4.340 0.001 0.000 0.254 -4 Q C -0.278 175.747 176.000 0.042 0.000 0.952 -4 Q CA 0.023 55.877 55.803 0.085 0.000 0.884 -4 Q CB 1.287 30.058 28.738 0.056 0.000 1.224 -4 Q HN 0.033 8.303 8.270 -0.000 0.000 0.422 -3 S N 1.603 117.328 115.700 0.042 0.000 2.500 -3 S HA 0.243 4.714 4.470 0.001 0.000 0.301 -3 S C 0.479 175.087 174.600 0.015 0.000 1.092 -3 S CA -0.808 57.404 58.200 0.021 0.000 1.030 -3 S CB 1.247 64.464 63.200 0.029 0.000 1.031 -3 S HN 0.597 8.907 8.310 -0.000 0.000 0.483 -2 N N 2.062 120.761 118.700 -0.001 0.000 2.120 -2 N HA -0.025 4.716 4.740 0.001 0.000 0.188 -2 N C 0.854 176.366 175.510 0.003 0.000 1.024 -2 N CA 1.306 54.355 53.050 -0.002 0.000 0.852 -2 N CB -0.452 38.023 38.487 -0.021 0.000 1.003 -2 N HN 0.915 9.295 8.380 -0.000 0.000 0.424 3 R N 0.634 121.128 120.500 -0.010 0.000 2.293 3 R HA -0.046 4.294 4.340 0.001 0.000 0.219 3 R C 0.453 176.763 176.300 0.017 0.000 1.091 3 R CA 1.159 57.253 56.100 -0.009 0.000 1.004 3 R CB 0.324 30.608 30.300 -0.027 0.000 0.865 3 R HN 0.453 8.723 8.270 -0.000 0.000 0.469 4 E N 0.642 120.852 120.200 0.017 0.000 2.046 4 E HA -0.163 4.187 4.350 0.001 0.000 0.190 4 E C 1.965 178.585 176.600 0.035 0.000 0.982 4 E CA 1.055 57.470 56.400 0.026 0.000 0.800 4 E CB -0.147 29.565 29.700 0.021 0.000 0.756 4 E HN 0.513 8.873 8.360 -0.000 0.000 0.449 5 Q N 0.589 120.407 119.800 0.030 0.000 2.020 5 Q HA -0.110 4.231 4.340 0.001 0.000 0.202 5 Q C 2.430 178.458 176.000 0.045 0.000 0.982 5 Q CA 1.572 57.397 55.803 0.036 0.000 0.838 5 Q CB -0.371 28.384 28.738 0.028 0.000 0.899 5 Q HN 0.068 8.338 8.270 -0.000 0.000 0.423 6 V N 1.269 121.208 119.914 0.042 0.000 2.278 6 V HA -0.295 3.825 4.120 0.001 0.000 0.251 6 V C 2.114 178.272 176.094 0.106 0.000 1.062 6 V CA 2.265 64.604 62.300 0.064 0.000 1.038 6 V CB -0.523 31.331 31.823 0.051 0.000 0.646 6 V HN 0.340 8.530 8.190 -0.000 0.000 0.447 7 E N -0.670 119.592 120.200 0.104 0.000 2.274 7 E HA -0.159 4.192 4.350 0.001 0.000 0.194 7 E C 2.276 178.917 176.600 0.070 0.000 0.996 7 E CA 0.839 57.306 56.400 0.112 0.000 0.840 7 E CB -0.101 29.658 29.700 0.100 0.000 0.772 7 E HN 0.625 8.985 8.360 -0.000 0.000 0.491 8 Q N -0.372 119.465 119.800 0.062 0.000 2.079 8 Q HA -0.088 4.252 4.340 0.001 0.000 0.200 8 Q C 2.161 178.201 176.000 0.067 0.000 0.974 8 Q CA 1.123 56.960 55.803 0.056 0.000 0.840 8 Q CB -0.033 28.737 28.738 0.053 0.000 0.898 8 Q HN 0.341 8.611 8.270 -0.000 0.000 0.430 9 L N 0.675 121.942 121.223 0.074 0.000 2.127 9 L HA -0.223 4.117 4.340 0.001 0.000 0.211 9 L C 2.500 179.430 176.870 0.100 0.000 1.089 9 L CA 1.219 56.114 54.840 0.092 0.000 0.757 9 L CB -0.391 41.710 42.059 0.071 0.000 0.899 9 L HN 0.164 8.394 8.230 -0.000 0.000 0.434 10 K N 0.034 120.469 120.400 0.059 0.000 2.097 10 K HA -0.192 4.129 4.320 0.001 0.000 0.205 10 K C 2.136 178.775 176.600 0.066 0.000 1.050 10 K CA 1.244 57.546 56.287 0.026 0.000 0.938 10 K CB 0.080 32.525 32.500 -0.091 0.000 0.718 10 K HN 0.335 8.585 8.250 -0.000 0.000 0.442 11 Q N 0.168 119.996 119.800 0.047 0.000 2.083 11 Q HA -0.147 4.194 4.340 0.001 0.000 0.198 11 Q C 1.930 177.946 176.000 0.026 0.000 0.969 11 Q CA 1.418 57.239 55.803 0.030 0.000 0.838 11 Q CB 0.065 28.817 28.738 0.024 0.000 0.900 11 Q HN 0.380 8.650 8.270 -0.000 0.000 0.436 12 E N -0.152 120.076 120.200 0.047 0.000 2.110 12 E HA -0.232 4.118 4.350 0.001 0.000 0.193 12 E C 1.663 178.257 176.600 -0.011 0.000 0.988 12 E CA 0.937 57.349 56.400 0.019 0.000 0.804 12 E CB -0.015 29.724 29.700 0.065 0.000 0.745 12 E HN 0.398 8.758 8.360 -0.000 0.000 0.458 13 Y N 1.153 121.443 120.300 -0.017 0.000 2.263 13 Y HA -0.063 4.487 4.550 0.001 0.000 0.292 13 Y C 1.694 177.587 175.900 -0.012 0.000 1.130 13 Y CA 1.584 59.686 58.100 0.003 0.000 1.179 13 Y CB 0.138 38.646 38.460 0.081 0.000 0.998 13 Y HN 0.010 8.290 8.280 -0.000 0.000 0.532 14 E N -0.281 119.887 120.200 -0.054 0.000 2.208 14 E HA -0.190 4.161 4.350 0.001 0.000 0.193 14 E C 1.871 178.374 176.600 -0.162 0.000 0.988 14 E CA 1.098 57.433 56.400 -0.109 0.000 0.828 14 E CB 0.038 29.739 29.700 0.002 0.000 0.763 14 E HN 0.503 8.863 8.360 -0.000 0.000 0.478 15 E N 1.284 121.394 120.200 -0.150 0.000 2.060 15 E HA -0.096 4.254 4.350 0.001 0.000 0.189 15 E C 1.208 177.696 176.600 -0.186 0.000 0.974 15 E CA 1.380 57.701 56.400 -0.131 0.000 0.808 15 E CB 0.210 29.855 29.700 -0.091 0.000 0.768 15 E HN 0.019 8.379 8.360 -0.000 0.000 0.453 16 K N -1.448 118.769 120.400 -0.305 0.000 2.373 16 K HA 0.332 4.653 4.320 0.001 0.000 0.200 16 K C 0.932 177.312 176.600 -0.366 0.000 1.054 16 K CA 0.392 56.441 56.287 -0.396 0.000 1.065 16 K CB 1.105 33.116 32.500 -0.815 0.000 0.886 16 K HN 0.248 8.498 8.250 -0.000 0.000 0.546 17 G N 1.882 110.401 108.800 -0.467 0.000 2.184 17 G HA2 -0.314 3.646 3.960 0.001 0.000 0.264 17 G HA3 -0.314 3.646 3.960 0.001 0.000 0.264 17 G C -0.190 174.634 174.900 -0.128 0.000 0.975 17 G CA 1.178 46.018 45.100 -0.432 0.000 0.642 17 G HN 0.428 8.718 8.290 -0.000 0.000 0.536 18 Y N -1.710 118.575 120.300 -0.026 0.000 2.609 18 Y HA 0.696 5.247 4.550 0.001 0.000 0.336 18 Y C -0.092 175.882 175.900 0.124 0.000 1.129 18 Y CA -2.142 55.976 58.100 0.030 0.000 1.040 18 Y CB 0.595 39.018 38.460 -0.061 0.000 1.310 18 Y HN 0.999 9.279 8.280 -0.000 0.000 0.460 19 C N 1.220 120.741 119.300 0.368 0.000 2.985 19 C HA 0.686 5.146 4.460 0.001 0.000 0.314 19 C C -1.173 174.028 174.990 0.351 0.000 1.215 19 C CA -0.779 58.472 59.018 0.387 0.000 1.414 19 C CB 1.667 29.589 27.740 0.302 0.000 1.842 19 C HN 1.180 9.410 8.230 -0.000 0.000 0.477 20 Q N 1.665 121.736 119.800 0.453 0.000 2.278 20 Q HA 0.670 5.011 4.340 0.001 0.000 0.257 20 Q C -1.254 174.932 176.000 0.309 0.000 0.928 20 Q CA -0.347 55.758 55.803 0.502 0.000 0.932 20 Q CB 0.870 29.870 28.738 0.436 0.000 1.221 20 Q HN 0.828 9.098 8.270 -0.000 0.000 0.434 21 I N 4.555 125.304 120.570 0.299 0.000 2.354 21 I HA 0.293 4.463 4.170 0.001 0.000 0.286 21 I C -0.335 175.876 176.117 0.156 0.000 1.007 21 I CA -0.636 60.765 61.300 0.168 0.000 1.167 21 I CB 1.329 39.380 38.000 0.084 0.000 1.320 21 I HN 0.414 8.624 8.210 -0.000 0.000 0.458 22 K N 6.126 126.592 120.400 0.110 0.000 2.298 22 K HA 0.292 4.613 4.320 0.001 0.000 0.280 22 K C 0.196 176.840 176.600 0.073 0.000 1.032 22 K CA -0.519 55.826 56.287 0.097 0.000 0.958 22 K CB 0.473 33.012 32.500 0.066 0.000 0.978 22 K HN 0.397 8.647 8.250 -0.000 0.000 0.472 23 K N 1.031 121.490 120.400 0.098 0.000 3.160 23 K HA -0.240 4.080 4.320 0.001 0.000 0.280 23 K C 0.713 177.322 176.600 0.014 0.000 1.154 23 K CA 0.446 56.783 56.287 0.083 0.000 0.822 23 K CB -1.407 31.130 32.500 0.061 0.000 1.239 23 K HN 0.673 8.923 8.250 -0.000 0.000 0.489 24 I N 0.007 120.547 120.570 -0.050 0.000 2.830 24 I HA -0.072 4.098 4.170 0.001 0.000 0.263 24 I C -0.115 175.702 176.117 -0.501 0.000 1.230 24 I CA 0.856 61.982 61.300 -0.289 0.000 1.480 24 I CB 0.260 38.021 38.000 -0.397 0.000 1.095 24 I HN 0.057 8.267 8.210 -0.000 0.000 0.455 25 F N 0.644 120.634 119.950 0.067 0.000 2.532 25 F HA 0.331 4.859 4.527 0.001 0.000 0.321 25 F C -0.073 175.775 175.800 0.078 0.000 1.089 25 F CA -1.208 56.826 58.000 0.057 0.000 0.926 25 F CB 0.814 39.826 39.000 0.020 0.000 1.168 25 F HN -0.180 8.120 8.300 -0.000 0.000 0.459 26 D N 2.468 123.043 120.400 0.291 0.000 2.458 26 D HA -0.042 4.598 4.640 0.001 0.000 0.243 26 D C 1.032 177.461 176.300 0.216 0.000 1.146 26 D CA 0.210 54.342 54.000 0.220 0.000 0.877 26 D CB 0.257 41.167 40.800 0.184 0.000 1.176 26 D HN 0.438 8.808 8.370 -0.000 0.000 0.461 27 F N 2.217 122.223 119.950 0.093 0.000 2.184 27 F HA -0.298 4.229 4.527 0.001 0.000 0.301 27 F C 2.074 177.904 175.800 0.050 0.000 1.076 27 F CA 1.535 59.576 58.000 0.068 0.000 1.295 27 F CB -0.062 38.973 39.000 0.058 0.000 1.026 27 F HN 0.240 8.540 8.300 -0.000 0.000 0.494 28 S N 0.352 116.079 115.700 0.045 0.000 2.348 28 S HA -0.198 4.272 4.470 0.001 0.000 0.221 28 S C 2.367 176.905 174.600 -0.102 0.000 1.033 28 S CA 1.240 59.421 58.200 -0.031 0.000 1.010 28 S CB -1.016 62.233 63.200 0.081 0.000 0.891 28 S HN 0.538 8.848 8.310 -0.000 0.000 0.442 29 A N 1.628 124.433 122.820 -0.026 0.000 1.972 29 A HA -0.072 4.249 4.320 0.001 0.000 0.219 29 A C 1.980 179.360 177.584 -0.340 0.000 1.169 29 A CA 1.124 53.105 52.037 -0.093 0.000 0.635 29 A CB -0.625 18.421 19.000 0.076 0.000 0.810 29 A HN 0.409 8.559 8.150 -0.000 0.000 0.446 30 I N -0.188 120.200 120.570 -0.303 0.000 2.226 30 I HA -0.177 3.993 4.170 0.001 0.000 0.245 30 I C 2.187 178.098 176.117 -0.343 0.000 1.100 30 I CA 1.347 62.439 61.300 -0.348 0.000 1.374 30 I CB -1.094 36.737 38.000 -0.281 0.000 1.057 30 I HN 0.228 8.438 8.210 -0.000 0.000 0.413 31 K N 0.610 120.763 120.400 -0.412 0.000 2.057 31 K HA -0.106 4.214 4.320 0.001 0.000 0.207 31 K C 2.093 178.580 176.600 -0.189 0.000 1.049 31 K CA 1.469 57.561 56.287 -0.324 0.000 0.931 31 K CB -0.945 31.333 32.500 -0.371 0.000 0.714 31 K HN 0.322 8.572 8.250 -0.000 0.000 0.440 32 T N 2.526 116.980 114.554 -0.167 0.000 2.665 32 T HA -0.134 4.217 4.350 0.001 0.000 0.268 32 T C 1.938 176.570 174.700 -0.114 0.000 1.035 32 T CA 1.203 63.246 62.100 -0.095 0.000 1.151 32 T CB -0.113 68.745 68.868 -0.017 0.000 0.862 32 T HN 0.011 8.251 8.240 -0.000 0.000 0.438 33 I N 1.447 121.884 120.570 -0.223 0.000 2.179 33 I HA -0.143 4.027 4.170 0.001 0.000 0.242 33 I C 2.629 178.742 176.117 -0.007 0.000 1.088 33 I CA 1.368 62.593 61.300 -0.125 0.000 1.357 33 I CB -1.401 36.419 38.000 -0.300 0.000 1.051 33 I HN 0.377 8.587 8.210 -0.000 0.000 0.409 34 Q N 0.468 120.227 119.800 -0.068 0.000 2.096 34 Q HA -0.299 4.041 4.340 0.001 0.000 0.208 34 Q C 2.289 178.275 176.000 -0.023 0.000 0.993 34 Q CA 2.304 58.082 55.803 -0.041 0.000 0.862 34 Q CB -0.209 28.481 28.738 -0.079 0.000 0.915 34 Q HN 0.409 8.679 8.270 -0.000 0.000 0.416 35 K N -0.241 120.133 120.400 -0.044 0.000 2.026 35 K HA -0.139 4.181 4.320 0.001 0.000 0.208 35 K C 2.037 178.611 176.600 -0.042 0.000 1.048 35 K CA 1.794 58.058 56.287 -0.038 0.000 0.929 35 K CB -0.008 32.466 32.500 -0.043 0.000 0.713 35 K HN 0.155 8.405 8.250 -0.000 0.000 0.439 36 T N 1.832 116.347 114.554 -0.066 0.000 2.720 36 T HA -0.146 4.204 4.350 0.001 0.000 0.268 36 T C 1.791 176.439 174.700 -0.087 0.000 1.037 36 T CA 1.405 63.410 62.100 -0.158 0.000 1.144 36 T CB -0.220 68.407 68.868 -0.401 0.000 0.864 36 T HN 0.145 8.385 8.240 -0.000 0.000 0.444 37 L N 1.177 122.428 121.223 0.047 0.000 2.012 37 L HA -0.160 4.181 4.340 0.001 0.000 0.210 37 L C 2.601 179.502 176.870 0.052 0.000 1.073 37 L CA 1.395 56.308 54.840 0.121 0.000 0.748 37 L CB -0.783 41.365 42.059 0.148 0.000 0.891 37 L HN 0.215 8.445 8.230 -0.000 0.000 0.431 38 D N -0.152 120.259 120.400 0.019 0.000 2.106 38 D HA -0.169 4.471 4.640 0.001 0.000 0.191 38 D C 1.267 177.566 176.300 -0.002 0.000 0.997 38 D CA 0.984 54.987 54.000 0.005 0.000 0.834 38 D CB -0.416 40.381 40.800 -0.005 0.000 0.956 38 D HN 0.451 8.821 8.370 -0.000 0.000 0.448 67 A N 1.113 123.938 122.820 0.009 0.000 2.469 67 A HA 0.612 4.932 4.320 0.001 0.000 0.299 67 A C 0.690 178.323 177.584 0.082 0.000 1.098 67 A CA -0.101 51.963 52.037 0.045 0.000 0.737 67 A CB 0.744 19.767 19.000 0.038 0.000 1.312 67 A HN 1.659 9.809 8.150 -0.000 0.000 0.414 68 Y N 0.676 120.967 120.300 -0.015 0.000 2.241 68 Y HA -0.240 4.310 4.550 0.001 0.000 0.286 68 Y C 1.734 177.626 175.900 -0.013 0.000 1.166 68 Y CA 2.817 60.903 58.100 -0.022 0.000 1.203 68 Y CB -0.010 38.426 38.460 -0.039 0.000 0.977 68 Y HN 0.843 9.123 8.280 -0.000 0.000 0.529 69 D N -0.155 120.195 120.400 -0.084 0.000 2.117 69 D HA -0.192 4.449 4.640 0.001 0.000 0.198 69 D C 2.168 178.479 176.300 0.018 0.000 0.982 69 D CA 1.218 55.158 54.000 -0.100 0.000 0.828 69 D CB -0.473 40.354 40.800 0.044 0.000 0.967 69 D HN 0.394 8.764 8.370 -0.000 0.000 0.464 70 L N 0.212 121.483 121.223 0.080 0.000 2.089 70 L HA -0.164 4.176 4.340 0.001 0.000 0.213 70 L C 1.974 178.921 176.870 0.129 0.000 1.079 70 L CA 2.031 56.976 54.840 0.175 0.000 0.758 70 L CB -0.156 41.982 42.059 0.132 0.000 0.891 70 L HN 0.232 8.462 8.230 -0.000 0.000 0.433 71 V N -5.494 114.417 119.914 -0.005 0.000 3.477 71 V HA 0.144 4.264 4.120 0.001 0.000 0.297 71 V C 2.100 178.076 176.094 -0.197 0.000 1.433 71 V CA 0.403 62.684 62.300 -0.031 0.000 1.052 71 V CB -0.407 31.444 31.823 0.047 0.000 0.895 71 V HN 0.387 8.577 8.190 -0.000 0.000 0.438 72 K N 1.095 121.224 120.400 -0.452 0.000 2.020 72 K HA -0.171 4.149 4.320 0.001 0.000 0.212 72 K C 1.256 177.560 176.600 -0.494 0.000 1.050 72 K CA 2.430 58.229 56.287 -0.813 0.000 0.929 72 K CB -0.297 31.444 32.500 -1.265 0.000 0.714 72 K HN 0.594 8.844 8.250 -0.000 0.000 0.443 73 Y N 1.152 121.351 120.300 -0.167 0.000 2.683 73 Y HA 0.104 4.655 4.550 0.001 0.000 0.297 73 Y C 0.664 176.351 175.900 -0.354 0.000 1.147 73 Y CA -0.421 57.567 58.100 -0.186 0.000 1.274 73 Y CB 0.330 38.688 38.460 -0.169 0.000 1.143 73 Y HN 0.146 8.426 8.280 -0.000 0.000 0.527 74 D N 0.378 120.737 120.400 -0.069 0.000 2.271 74 D HA -0.233 4.408 4.640 0.001 0.000 0.207 74 D C 1.931 178.203 176.300 -0.047 0.000 0.983 74 D CA 1.318 55.280 54.000 -0.063 0.000 0.878 74 D CB -0.412 40.388 40.800 -0.000 0.000 0.920 74 D HN 0.554 8.924 8.370 -0.000 0.000 0.479 75 F N -0.166 119.797 119.950 0.021 0.000 2.250 75 F HA -0.134 4.394 4.527 0.001 0.000 0.301 75 F C 1.921 177.777 175.800 0.095 0.000 1.077 75 F CA 0.522 58.549 58.000 0.046 0.000 1.348 75 F CB -0.936 38.110 39.000 0.076 0.000 1.040 75 F HN -0.162 8.138 8.300 -0.000 0.000 0.509 76 V N 0.259 119.742 119.914 -0.718 0.000 2.626 76 V HA -0.225 3.896 4.120 0.001 0.000 0.252 76 V C 2.476 178.499 176.094 -0.118 0.000 1.067 76 V CA 1.804 63.814 62.300 -0.483 0.000 1.081 76 V CB -0.940 30.272 31.823 -1.017 0.000 0.686 76 V HN 0.483 8.673 8.190 -0.000 0.000 0.468 77 S N 0.982 116.595 115.700 -0.144 0.000 2.402 77 S HA -0.229 4.242 4.470 0.001 0.000 0.233 77 S C 2.246 176.814 174.600 -0.052 0.000 1.030 77 S CA 1.780 59.934 58.200 -0.077 0.000 1.003 77 S CB -0.359 62.801 63.200 -0.065 0.000 0.813 77 S HN 0.865 9.175 8.310 -0.000 0.000 0.477 78 S N 0.867 116.499 115.700 -0.113 0.000 2.406 78 S HA 0.003 4.473 4.470 0.001 0.000 0.228 78 S C 1.578 176.033 174.600 -0.241 0.000 1.020 78 S CA 0.665 58.732 58.200 -0.223 0.000 0.965 78 S CB -0.715 62.260 63.200 -0.375 0.000 0.798 78 S HN 0.480 8.790 8.310 -0.000 0.000 0.488 79 F N 1.727 121.657 119.950 -0.033 0.000 2.163 79 F HA 0.136 4.663 4.527 0.001 0.000 0.297 79 F C 2.305 178.207 175.800 0.170 0.000 1.094 79 F CA 0.411 58.429 58.000 0.029 0.000 1.290 79 F CB -0.392 38.526 39.000 -0.137 0.000 1.017 79 F HN 0.166 8.466 8.300 -0.000 0.000 0.483 80 I N 0.257 120.982 120.570 0.259 0.000 2.202 80 I HA -0.271 3.899 4.170 0.001 0.000 0.242 80 I C 2.443 178.638 176.117 0.130 0.000 1.091 80 I CA 1.384 62.826 61.300 0.237 0.000 1.368 80 I CB -1.559 36.504 38.000 0.105 0.000 1.058 80 I HN 0.282 8.492 8.210 -0.000 0.000 0.410 81 Q N 1.100 120.933 119.800 0.054 0.000 2.234 81 Q HA -0.230 4.111 4.340 0.001 0.000 0.206 81 Q C 1.872 177.870 176.000 -0.004 0.000 0.980 81 Q CA 1.490 57.299 55.803 0.009 0.000 0.869 81 Q CB 0.073 28.799 28.738 -0.020 0.000 0.912 81 Q HN 0.560 8.830 8.270 -0.000 0.000 0.436 82 E N -0.259 119.947 120.200 0.011 0.000 2.204 82 E HA -0.141 4.209 4.350 0.001 0.000 0.195 82 E C 1.430 178.009 176.600 -0.035 0.000 0.990 82 E CA 0.718 57.112 56.400 -0.011 0.000 0.821 82 E CB 0.249 29.958 29.700 0.014 0.000 0.750 82 E HN 0.142 8.502 8.360 -0.000 0.000 0.477 83 K N 0.143 120.524 120.400 -0.032 0.000 2.353 83 K HA 0.128 4.449 4.320 0.001 0.000 0.195 83 K C 1.791 178.322 176.600 -0.116 0.000 1.031 83 K CA 0.070 56.291 56.287 -0.109 0.000 1.079 83 K CB 0.290 32.670 32.500 -0.199 0.000 0.857 83 K HN 0.174 8.424 8.250 -0.000 0.000 0.535 84 L N 0.638 121.817 121.223 -0.074 0.000 2.187 84 L HA -0.147 4.193 4.340 0.001 0.000 0.213 84 L C 2.238 179.050 176.870 -0.095 0.000 1.100 84 L CA 1.223 56.014 54.840 -0.082 0.000 0.765 84 L CB -0.581 41.454 42.059 -0.040 0.000 0.904 84 L HN 0.080 8.310 8.230 -0.000 0.000 0.437 85 A N -0.211 122.557 122.820 -0.086 0.000 1.970 85 A HA -0.133 4.187 4.320 0.001 0.000 0.216 85 A C 2.132 179.672 177.584 -0.073 0.000 1.170 85 A CA 0.933 52.924 52.037 -0.077 0.000 0.645 85 A CB -0.320 18.633 19.000 -0.078 0.000 0.816 85 A HN 0.301 8.451 8.150 -0.000 0.000 0.447 86 L N 0.158 121.321 121.223 -0.100 0.000 1.988 86 L HA -0.055 4.285 4.340 0.001 0.000 0.207 86 L C 2.218 179.007 176.870 -0.135 0.000 1.071 86 L CA 1.797 56.581 54.840 -0.095 0.000 0.744 86 L CB -0.887 41.092 42.059 -0.133 0.000 0.893 86 L HN 0.378 8.608 8.230 -0.000 0.000 0.433 87 L N 0.126 121.195 121.223 -0.258 0.000 2.081 87 L HA -0.260 4.080 4.340 0.001 0.000 0.212 87 L C 2.297 178.981 176.870 -0.310 0.000 1.080 87 L CA 1.331 55.911 54.840 -0.433 0.000 0.754 87 L CB -0.993 40.729 42.059 -0.560 0.000 0.893 87 L HN 0.412 8.642 8.230 -0.000 0.000 0.433 88 N N -0.837 117.756 118.700 -0.178 0.000 2.244 88 N HA -0.214 4.527 4.740 0.001 0.000 0.183 88 N C 1.692 177.144 175.510 -0.096 0.000 1.016 88 N CA 1.145 54.115 53.050 -0.134 0.000 0.866 88 N CB -0.240 38.199 38.487 -0.080 0.000 0.980 88 N HN 0.380 8.760 8.380 -0.000 0.000 0.430 89 Y N 1.183 121.378 120.300 -0.174 0.000 2.269 89 Y HA 0.150 4.700 4.550 0.001 0.000 0.294 89 Y C 2.100 177.920 175.900 -0.134 0.000 1.120 89 Y CA 0.696 58.716 58.100 -0.134 0.000 1.159 89 Y CB -0.354 38.040 38.460 -0.110 0.000 1.024 89 Y HN -0.094 8.186 8.280 -0.000 0.000 0.532 90 I N 0.059 120.477 120.570 -0.254 0.000 2.151 90 I HA -0.384 3.787 4.170 0.001 0.000 0.243 90 I C 2.360 178.259 176.117 -0.364 0.000 1.080 90 I CA 2.371 63.485 61.300 -0.309 0.000 1.339 90 I CB -0.673 37.164 38.000 -0.273 0.000 1.039 90 I HN 0.409 8.620 8.210 -0.000 0.000 0.409 91 T N -2.638 111.647 114.554 -0.449 0.000 3.054 91 T HA 0.233 4.583 4.350 0.001 0.000 0.259 91 T C 1.602 176.143 174.700 -0.266 0.000 1.092 91 T CA 0.590 62.394 62.100 -0.492 0.000 1.121 91 T CB 0.485 69.025 68.868 -0.548 0.000 0.912 91 T HN 0.564 8.804 8.240 -0.000 0.000 0.489 92 G N 1.394 110.039 108.800 -0.259 0.000 2.159 92 G HA2 -0.194 3.766 3.960 0.001 0.000 0.256 92 G HA3 -0.194 3.766 3.960 0.001 0.000 0.256 92 G C 0.032 174.816 174.900 -0.193 0.000 0.977 92 G CA 0.209 45.195 45.100 -0.189 0.000 0.652 92 G HN 0.619 8.909 8.290 -0.000 0.000 0.531 93 K N -0.274 119.964 120.400 -0.270 0.000 2.211 93 K HA 0.517 4.837 4.320 0.001 0.000 0.237 93 K C -0.423 176.080 176.600 -0.161 0.000 1.002 93 K CA -1.249 54.868 56.287 -0.283 0.000 0.885 93 K CB 0.860 33.017 32.500 -0.572 0.000 1.136 93 K HN 0.078 8.328 8.250 -0.000 0.000 0.448 94 N N 1.664 120.308 118.700 -0.093 0.000 2.817 94 N HA 0.236 4.976 4.740 0.001 0.000 0.234 94 N C -0.611 174.919 175.510 0.033 0.000 1.066 94 N CA -0.115 52.914 53.050 -0.035 0.000 0.926 94 N CB -0.186 38.284 38.487 -0.028 0.000 1.176 94 N HN 0.416 8.796 8.380 -0.000 0.000 0.506 100 N N 1.493 119.868 118.700 -0.543 0.000 2.296 100 N HA 0.631 5.371 4.740 0.001 0.000 0.294 100 N C -1.166 174.112 175.510 -0.387 0.000 1.033 100 N CA -0.246 52.627 53.050 -0.295 0.000 0.839 100 N CB 2.303 40.652 38.487 -0.229 0.000 1.395 100 N HN 0.664 9.044 8.380 -0.000 0.000 0.479 101 A N 1.127 123.920 122.820 -0.046 0.000 2.475 101 A HA 0.687 5.007 4.320 0.001 0.000 0.301 101 A C -1.440 176.019 177.584 -0.207 0.000 1.059 101 A CA -0.588 51.421 52.037 -0.047 0.000 0.710 101 A CB 1.386 20.496 19.000 0.184 0.000 1.288 101 A HN 0.512 8.662 8.150 -0.000 0.000 0.408 102 L N 1.078 121.936 121.223 -0.608 0.000 2.317 102 L HA 0.859 5.199 4.340 0.001 0.000 0.281 102 L C -1.701 174.801 176.870 -0.614 0.000 1.024 102 L CA -0.367 53.981 54.840 -0.820 0.000 0.810 102 L CB 0.854 42.240 42.059 -1.123 0.000 1.240 102 L HN 0.520 8.750 8.230 -0.000 0.000 0.427 103 F N 3.186 122.946 119.950 -0.317 0.000 2.507 103 F HA 0.638 5.166 4.527 0.001 0.000 0.328 103 F C -0.119 175.575 175.800 -0.176 0.000 1.136 103 F CA -0.407 57.501 58.000 -0.153 0.000 0.930 103 F CB 2.113 41.094 39.000 -0.031 0.000 1.166 103 F HN 0.506 8.806 8.300 -0.000 0.000 0.436 104 S N 2.502 118.187 115.700 -0.026 0.000 2.541 104 S HA 0.965 5.435 4.470 0.001 0.000 0.280 104 S C -0.990 173.563 174.600 -0.078 0.000 1.112 104 S CA -0.757 57.408 58.200 -0.057 0.000 0.925 104 S CB 1.758 64.897 63.200 -0.101 0.000 1.067 104 S HN 0.692 9.002 8.310 -0.000 0.000 0.479 105 V N -1.174 118.687 119.914 -0.088 0.000 3.159 105 V HA 0.736 4.856 4.120 0.001 0.000 0.308 105 V C -0.403 175.637 176.094 -0.091 0.000 1.190 105 V CA -1.259 60.935 62.300 -0.177 0.000 1.037 105 V CB 1.625 33.221 31.823 -0.379 0.000 1.060 105 V HN 1.069 9.259 8.190 -0.000 0.000 0.437 106 E N 1.375 121.526 120.200 -0.083 0.000 2.404 106 E HA 0.230 4.580 4.350 0.001 0.000 0.261 106 E C -2.223 174.406 176.600 0.048 0.000 1.074 106 E CA -1.276 55.124 56.400 0.000 0.000 0.917 106 E CB 0.595 30.305 29.700 0.018 0.000 0.965 106 E HN 0.426 8.786 8.360 -0.000 0.000 0.433 107 P HA -0.188 4.232 4.420 -0.000 0.000 0.214 107 P C -0.269 177.084 177.300 0.088 0.000 1.169 107 P CA 1.619 64.770 63.100 0.084 0.000 0.908 107 P CB 0.038 31.791 31.700 0.089 0.000 0.791 108 N N -0.080 118.668 118.700 0.081 0.000 2.469 108 N HA 0.105 4.846 4.740 0.001 0.000 0.239 108 N C -0.307 175.275 175.510 0.120 0.000 1.053 108 N CA 0.058 53.152 53.050 0.073 0.000 0.937 108 N CB -0.326 38.187 38.487 0.044 0.000 1.163 108 N HN 0.206 8.586 8.380 -0.000 0.000 0.509 109 H N 1.230 120.296 119.070 -0.006 0.000 2.759 109 H HA 0.249 4.806 4.556 0.001 0.000 0.354 109 H C -0.921 174.390 175.328 -0.029 0.000 1.074 109 H CA -0.956 55.086 56.048 -0.011 0.000 1.226 109 H CB 1.205 30.967 29.762 -0.000 0.000 1.648 109 H HN 0.135 8.415 8.280 -0.000 0.000 0.529 110 K N 3.270 123.316 120.400 -0.589 0.000 2.228 110 K HA 0.213 4.534 4.320 0.001 0.000 0.284 110 K C 0.339 176.626 176.600 -0.523 0.000 1.088 110 K CA -0.033 55.990 56.287 -0.441 0.000 0.941 110 K CB -0.155 32.157 32.500 -0.314 0.000 1.158 110 K HN 0.710 8.960 8.250 -0.000 0.000 0.438 111 G N 2.517 111.151 108.800 -0.278 0.000 2.683 111 G HA2 0.161 4.121 3.960 0.001 0.000 0.260 111 G HA3 0.161 4.121 3.960 0.001 0.000 0.260 111 G C -0.873 173.934 174.900 -0.154 0.000 1.238 111 G CA -0.649 44.362 45.100 -0.149 0.000 0.934 111 G HN 0.553 8.843 8.290 -0.000 0.000 0.534 112 L N 1.712 122.870 121.223 -0.108 0.000 2.350 112 L HA 0.433 4.773 4.340 0.001 0.000 0.275 112 L C -1.432 175.357 176.870 -0.135 0.000 1.099 112 L CA -1.567 53.205 54.840 -0.112 0.000 0.808 112 L CB 1.134 43.107 42.059 -0.144 0.000 1.149 112 L HN 0.332 8.562 8.230 -0.000 0.000 0.442 113 P HA -0.008 4.412 4.420 -0.000 0.000 0.286 113 P C -1.008 176.176 177.300 -0.194 0.000 1.293 113 P CA -0.472 62.499 63.100 -0.215 0.000 0.770 113 P CB 0.174 31.820 31.700 -0.090 0.000 1.206 114 W N 1.153 122.328 121.300 -0.208 0.000 2.513 114 W HA -0.018 4.643 4.660 0.001 0.000 0.339 114 W C 1.412 177.743 176.519 -0.313 0.000 1.257 114 W CA 0.834 57.974 57.345 -0.341 0.000 1.280 114 W CB -0.641 28.622 29.460 -0.329 0.000 1.214 114 W HN 0.409 8.589 8.180 -0.000 0.000 0.567 115 H N -0.339 118.556 119.070 -0.293 0.000 2.960 115 H HA 0.497 5.054 4.556 0.001 0.000 0.323 115 H C -0.118 174.979 175.328 -0.386 0.000 1.326 115 H CA -0.560 55.261 56.048 -0.378 0.000 1.124 115 H CB 1.191 30.755 29.762 -0.330 0.000 1.853 115 H HN 0.312 8.592 8.280 -0.000 0.000 0.536 116 V N -3.713 116.096 119.914 -0.176 0.000 3.432 116 V HA 0.431 4.551 4.120 0.001 0.000 0.298 116 V C 1.149 177.375 176.094 0.219 0.000 1.464 116 V CA 0.499 62.830 62.300 0.051 0.000 1.046 116 V CB 0.030 31.927 31.823 0.124 0.000 0.887 116 V HN 1.361 9.551 8.190 -0.000 0.000 0.441 117 G N 1.600 110.532 108.800 0.220 0.000 2.198 117 G HA2 -0.243 3.717 3.960 0.001 0.000 0.257 117 G HA3 -0.243 3.717 3.960 0.001 0.000 0.257 117 G C 0.741 175.648 174.900 0.012 0.000 1.042 117 G CA 1.036 46.274 45.100 0.230 0.000 0.791 117 G HN 1.536 9.826 8.290 -0.000 0.000 0.502 118 V N -2.138 117.500 119.914 -0.459 0.000 2.380 118 V HA -0.039 4.081 4.120 0.001 0.000 0.251 118 V C 2.753 178.495 176.094 -0.586 0.000 1.063 118 V CA 2.712 64.452 62.300 -0.933 0.000 1.055 118 V CB -1.267 29.670 31.823 -1.476 0.000 0.657 118 V HN 0.975 9.165 8.190 -0.000 0.000 0.455 119 G N -0.000 108.586 108.800 -0.356 0.000 2.424 119 G HA2 -0.186 3.775 3.960 0.001 0.000 0.214 119 G HA3 -0.186 3.775 3.960 0.001 0.000 0.214 119 G C 1.685 176.560 174.900 -0.042 0.000 1.202 119 G CA 0.989 46.013 45.100 -0.128 0.000 0.793 119 G HN 0.555 8.845 8.290 -0.000 0.000 0.534 120 S N 0.291 115.979 115.700 -0.021 0.000 2.420 120 S HA -0.065 4.406 4.470 0.001 0.000 0.237 120 S C 1.130 175.496 174.600 -0.390 0.000 1.023 120 S CA 1.009 59.127 58.200 -0.138 0.000 0.991 120 S CB -0.260 62.854 63.200 -0.143 0.000 0.792 120 S HN 0.347 8.657 8.310 -0.000 0.000 0.488 121 F N 0.321 120.163 119.950 -0.180 0.000 2.791 121 F HA 0.226 4.753 4.527 0.001 0.000 0.316 121 F C 1.747 177.223 175.800 -0.540 0.000 1.134 121 F CA -0.348 57.334 58.000 -0.529 0.000 1.222 121 F CB -0.002 38.792 39.000 -0.344 0.000 1.034 121 F HN 0.091 8.391 8.300 -0.000 0.000 0.516 122 S N 0.109 115.723 115.700 -0.143 0.000 2.440 122 S HA -0.259 4.212 4.470 0.001 0.000 0.238 122 S C 1.824 176.484 174.600 0.099 0.000 1.010 122 S CA 1.261 59.488 58.200 0.045 0.000 0.972 122 S CB -1.148 62.242 63.200 0.318 0.000 0.774 122 S HN 0.507 8.817 8.310 -0.000 0.000 0.501 123 F N 3.090 123.141 119.950 0.169 0.000 2.661 123 F HA 0.280 4.807 4.527 0.001 0.000 0.298 123 F C 0.986 176.863 175.800 0.128 0.000 1.137 123 F CA 0.031 58.118 58.000 0.145 0.000 1.454 123 F CB -1.397 37.659 39.000 0.093 0.000 1.103 123 F HN 0.214 8.514 8.300 -0.000 0.000 0.577 124 T N -1.282 113.139 114.554 -0.222 0.000 2.925 124 T HA 0.326 4.677 4.350 0.001 0.000 0.285 124 T C -0.120 174.574 174.700 -0.009 0.000 1.021 124 T CA -1.136 60.930 62.100 -0.056 0.000 1.042 124 T CB 1.534 70.334 68.868 -0.113 0.000 1.037 124 T HN -0.046 8.194 8.240 -0.000 0.000 0.481 125 K N 2.213 122.624 120.400 0.018 0.000 2.524 125 K HA 0.025 4.345 4.320 0.001 0.000 0.279 125 K C 1.592 178.187 176.600 -0.009 0.000 0.993 125 K CA 0.270 56.566 56.287 0.015 0.000 1.030 125 K CB 0.408 32.917 32.500 0.014 0.000 0.891 125 K HN 0.796 9.046 8.250 -0.000 0.000 0.488 126 T N 2.194 116.750 114.554 0.004 0.000 2.665 126 T HA -0.186 4.164 4.350 0.001 0.000 0.268 126 T C 1.568 176.210 174.700 -0.096 0.000 1.035 126 T CA 1.885 63.939 62.100 -0.076 0.000 1.151 126 T CB -0.012 68.843 68.868 -0.020 0.000 0.862 126 T HN 0.668 8.908 8.240 -0.000 0.000 0.438 127 E N 1.388 121.574 120.200 -0.023 0.000 2.347 127 E HA -0.047 4.304 4.350 0.001 0.000 0.196 127 E C -0.156 176.485 176.600 0.068 0.000 1.008 127 E CA 0.514 56.926 56.400 0.020 0.000 0.852 127 E CB -0.276 29.432 29.700 0.013 0.000 0.783 127 E HN 0.384 8.744 8.360 -0.000 0.000 0.505 128 D N 0.851 121.274 120.400 0.039 0.000 2.313 128 D HA 0.192 4.832 4.640 0.001 0.000 0.247 128 D C -0.721 175.598 176.300 0.031 0.000 1.094 128 D CA -0.536 53.510 54.000 0.075 0.000 0.925 128 D CB 0.416 41.263 40.800 0.078 0.000 1.188 128 D HN -0.021 8.349 8.370 -0.000 0.000 0.430 129 F N 0.727 120.655 119.950 -0.038 0.000 2.484 129 F HA 0.446 4.973 4.527 0.001 0.000 0.360 129 F C 0.714 176.398 175.800 -0.193 0.000 1.101 129 F CA 0.324 58.259 58.000 -0.108 0.000 1.251 129 F CB 0.606 39.591 39.000 -0.025 0.000 1.132 129 F HN 0.219 8.519 8.300 -0.000 0.000 0.570 130 G N 2.937 110.916 108.800 -1.369 0.000 2.706 130 G HA2 0.785 4.745 3.960 0.001 0.000 0.297 130 G HA3 0.785 4.745 3.960 0.001 0.000 0.297 130 G C -2.126 171.830 174.900 -1.573 0.000 1.403 130 G CA -0.281 44.062 45.100 -1.261 0.000 0.954 130 G HN 1.113 9.403 8.290 -0.000 0.000 0.500 131 A N 0.246 122.541 122.820 -0.875 0.000 2.566 131 A HA 0.921 5.242 4.320 0.001 0.000 0.290 131 A C -0.717 176.688 177.584 -0.297 0.000 1.071 131 A CA -0.501 51.119 52.037 -0.695 0.000 0.658 131 A CB 1.379 20.066 19.000 -0.521 0.000 1.285 131 A HN 1.412 9.562 8.150 -0.000 0.000 0.427 132 S N -0.454 114.849 115.700 -0.662 0.000 2.546 132 S HA 0.724 5.194 4.470 0.001 0.000 0.274 132 S C -1.098 173.310 174.600 -0.320 0.000 1.121 132 S CA -0.387 57.527 58.200 -0.477 0.000 0.887 132 S CB 1.253 63.961 63.200 -0.820 0.000 1.094 132 S HN 0.614 8.924 8.310 -0.000 0.000 0.474 133 I N 1.921 122.545 120.570 0.091 0.000 2.389 133 I HA 0.407 4.577 4.170 0.001 0.000 0.288 133 I C -1.206 175.135 176.117 0.374 0.000 0.999 133 I CA -0.532 60.950 61.300 0.304 0.000 1.129 133 I CB 1.279 39.473 38.000 0.324 0.000 1.288 133 I HN 0.651 8.861 8.210 -0.000 0.000 0.444 134 W N 8.900 130.372 121.300 0.286 0.000 2.376 134 W HA 0.687 5.347 4.660 0.001 0.000 0.312 134 W C -1.388 175.244 176.519 0.188 0.000 1.060 134 W CA -0.728 56.760 57.345 0.238 0.000 1.221 134 W CB 0.944 30.581 29.460 0.295 0.000 1.281 134 W HN 0.288 8.468 8.180 -0.000 0.000 0.456 135 I N 9.636 129.993 120.570 -0.356 0.000 2.437 135 I HA 0.274 4.444 4.170 0.001 0.000 0.279 135 I C -2.056 173.659 176.117 -0.670 0.000 1.028 135 I CA -2.237 58.837 61.300 -0.377 0.000 1.142 135 I CB 1.283 39.201 38.000 -0.136 0.000 1.266 135 I HN 0.188 8.398 8.210 -0.000 0.000 0.461 136 P HA 0.176 4.596 4.420 -0.000 0.000 0.276 136 P C 0.373 177.450 177.300 -0.372 0.000 1.243 136 P CA -0.115 62.505 63.100 -0.799 0.000 0.768 136 P CB 0.900 32.119 31.700 -0.802 0.000 0.856 137 L N 1.436 122.481 121.223 -0.296 0.000 2.611 137 L HA 0.234 4.575 4.340 0.001 0.000 0.229 137 L C 0.154 176.914 176.870 -0.183 0.000 1.137 137 L CA 0.611 55.331 54.840 -0.199 0.000 0.901 137 L CB -0.104 41.848 42.059 -0.179 0.000 1.098 137 L HN 0.311 8.541 8.230 -0.000 0.000 0.456 138 D N -0.079 120.178 120.400 -0.238 0.000 2.857 138 D HA 0.140 4.780 4.640 0.001 0.000 0.227 138 D C -0.757 175.443 176.300 -0.167 0.000 1.192 138 D CA -0.575 53.234 54.000 -0.320 0.000 0.857 138 D CB 2.366 42.623 40.800 -0.906 0.000 1.645 138 D HN -0.159 8.211 8.370 -0.000 0.000 0.482 139 K N 1.791 122.240 120.400 0.082 0.000 2.484 139 K HA 0.081 4.401 4.320 0.001 0.000 0.280 139 K C -0.250 176.489 176.600 0.232 0.000 1.013 139 K CA -0.090 56.318 56.287 0.201 0.000 1.029 139 K CB 0.423 33.071 32.500 0.246 0.000 0.902 139 K HN 0.307 8.557 8.250 -0.000 0.000 0.481 140 I N 5.213 125.923 120.570 0.233 0.000 2.307 140 I HA 0.100 4.271 4.170 0.001 0.000 0.289 140 I C 0.564 176.834 176.117 0.255 0.000 1.021 140 I CA -0.379 61.079 61.300 0.265 0.000 1.224 140 I CB 0.382 38.589 38.000 0.345 0.000 1.376 140 I HN 0.683 8.893 8.210 -0.000 0.000 0.470 141 T N 1.697 116.389 114.554 0.229 0.000 2.940 141 T HA 0.388 4.738 4.350 0.001 0.000 0.288 141 T C 0.930 175.732 174.700 0.170 0.000 1.033 141 T CA -0.830 61.383 62.100 0.189 0.000 1.033 141 T CB 2.540 71.515 68.868 0.179 0.000 1.079 141 T HN 0.559 8.799 8.240 -0.000 0.000 0.496 142 K N 0.146 120.622 120.400 0.127 0.000 2.152 142 K HA -0.155 4.165 4.320 0.001 0.000 0.206 142 K C 2.096 178.741 176.600 0.074 0.000 1.048 142 K CA 1.642 57.984 56.287 0.092 0.000 0.933 142 K CB -0.036 32.504 32.500 0.066 0.000 0.721 142 K HN 0.845 9.095 8.250 -0.000 0.000 0.447 143 E N -0.947 119.306 120.200 0.088 0.000 2.076 143 E HA -0.170 4.180 4.350 0.001 0.000 0.190 143 E C 1.342 177.902 176.600 -0.065 0.000 0.979 143 E CA 1.168 57.574 56.400 0.011 0.000 0.807 143 E CB 0.134 29.841 29.700 0.013 0.000 0.761 143 E HN 0.440 8.800 8.360 -0.000 0.000 0.454 144 H N -0.751 118.355 119.070 0.060 0.000 2.553 144 H HA 0.269 4.825 4.556 0.001 0.000 0.276 144 H C 0.638 176.013 175.328 0.078 0.000 0.979 144 H CA 0.656 56.745 56.048 0.070 0.000 1.268 144 H CB 0.447 30.262 29.762 0.088 0.000 1.450 144 H HN 0.014 8.294 8.280 -0.000 0.000 0.527 145 R N -1.186 119.428 120.500 0.191 0.000 3.895 145 R HA -0.237 4.103 4.340 0.001 0.000 0.431 145 R C 1.111 177.497 176.300 0.143 0.000 0.241 145 R CA 1.145 57.326 56.100 0.134 0.000 1.369 145 R CB -1.601 28.736 30.300 0.061 0.000 1.017 145 R HN 0.606 8.876 8.270 -0.000 0.000 0.556 146 G N -0.488 108.361 108.800 0.083 0.000 2.136 146 G HA2 -0.142 3.819 3.960 0.001 0.000 0.242 146 G HA3 -0.142 3.819 3.960 0.001 0.000 0.242 146 G C 0.220 175.176 174.900 0.093 0.000 0.989 146 G CA 0.738 45.885 45.100 0.079 0.000 0.682 146 G HN 0.915 9.205 8.290 -0.000 0.000 0.522 150 Y N -2.161 118.093 120.300 -0.077 0.000 2.597 150 Y HA 0.852 5.402 4.550 0.001 0.000 0.340 150 Y C -1.047 174.906 175.900 0.089 0.000 1.097 150 Y CA -1.228 56.812 58.100 -0.100 0.000 1.037 150 Y CB 1.078 39.178 38.460 -0.599 0.000 1.305 150 Y HN 0.313 8.593 8.280 -0.000 0.000 0.463 151 V N 1.348 121.462 119.914 0.332 0.000 2.656 151 V HA 0.511 4.631 4.120 0.001 0.000 0.307 151 V C 0.117 176.532 176.094 0.535 0.000 1.051 151 V CA -0.889 61.604 62.300 0.322 0.000 0.893 151 V CB 1.805 33.658 31.823 0.050 0.000 0.999 151 V HN 0.960 9.150 8.190 -0.000 0.000 0.426 152 S N 2.425 118.418 115.700 0.490 0.000 2.566 152 S HA 0.024 4.494 4.470 0.001 0.000 0.280 152 S C 1.439 176.187 174.600 0.247 0.000 1.343 152 S CA 0.474 58.857 58.200 0.305 0.000 1.036 152 S CB 0.942 64.210 63.200 0.113 0.000 0.866 152 S HN 1.090 9.400 8.310 -0.000 0.000 0.526 153 T N 1.460 116.113 114.554 0.165 0.000 3.113 153 T HA 0.172 4.522 4.350 0.001 0.000 0.256 153 T C 1.365 176.117 174.700 0.087 0.000 1.131 153 T CA 0.394 62.594 62.100 0.166 0.000 1.074 153 T CB -0.123 68.821 68.868 0.127 0.000 0.944 153 T HN 0.641 8.881 8.240 -0.000 0.000 0.516 154 K N 0.431 120.862 120.400 0.052 0.000 2.228 154 K HA 0.298 4.618 4.320 0.001 0.000 0.202 154 K C 1.827 178.452 176.600 0.041 0.000 1.051 154 K CA 0.584 56.885 56.287 0.022 0.000 0.960 154 K CB -0.097 32.401 32.500 -0.004 0.000 0.743 154 K HN 0.381 8.631 8.250 -0.000 0.000 0.458 155 I N -0.813 119.808 120.570 0.086 0.000 2.339 155 I HA -0.073 4.097 4.170 0.001 0.000 0.245 155 I C 0.230 176.454 176.117 0.177 0.000 1.096 155 I CA 0.470 61.831 61.300 0.101 0.000 1.408 155 I CB 0.374 38.436 38.000 0.104 0.000 1.092 155 I HN -0.044 8.166 8.210 -0.000 0.000 0.423 156 F N 3.673 123.665 119.950 0.071 0.000 2.553 156 F HA 0.465 4.992 4.527 0.001 0.000 0.335 156 F C -2.785 173.114 175.800 0.165 0.000 1.148 156 F CA -2.725 55.348 58.000 0.122 0.000 0.963 156 F CB 1.605 40.667 39.000 0.103 0.000 1.217 156 F HN -0.251 8.049 8.300 -0.000 0.000 0.441 157 P HA 0.250 4.670 4.420 -0.000 0.000 0.291 157 P C 0.455 177.738 177.300 -0.028 0.000 1.378 157 P CA -0.138 62.964 63.100 0.003 0.000 0.853 157 P CB 1.426 33.099 31.700 -0.045 0.000 1.002 158 G N 3.172 112.095 108.800 0.204 0.000 2.470 158 G HA2 -0.264 3.696 3.960 0.001 0.000 0.220 158 G HA3 -0.264 3.696 3.960 0.001 0.000 0.220 158 G C 1.302 176.302 174.900 0.165 0.000 1.121 158 G CA 0.354 45.649 45.100 0.326 0.000 0.766 158 G HN 0.494 8.784 8.290 -0.000 0.000 0.553 159 Q N 0.105 119.866 119.800 -0.065 0.000 2.197 159 Q HA -0.192 4.149 4.340 0.001 0.000 0.207 159 Q C 2.177 178.213 176.000 0.061 0.000 0.984 159 Q CA 1.824 57.501 55.803 -0.211 0.000 0.869 159 Q CB -0.357 27.947 28.738 -0.724 0.000 0.906 159 Q HN 0.680 8.950 8.270 -0.000 0.000 0.426 160 F N -1.451 118.528 119.950 0.050 0.000 2.216 160 F HA -0.151 4.376 4.527 0.001 0.000 0.300 160 F C 1.709 177.627 175.800 0.196 0.000 1.085 160 F CA 0.691 58.727 58.000 0.060 0.000 1.326 160 F CB -0.930 38.037 39.000 -0.055 0.000 1.027 160 F HN 0.016 8.316 8.300 -0.000 0.000 0.497 161 Y N 0.323 120.055 120.300 -0.946 0.000 2.256 161 Y HA -0.236 4.315 4.550 0.001 0.000 0.288 161 Y C 2.057 177.942 175.900 -0.025 0.000 1.155 161 Y CA 1.246 59.022 58.100 -0.540 0.000 1.203 161 Y CB -0.968 37.226 38.460 -0.443 0.000 0.980 161 Y HN 0.126 8.406 8.280 -0.000 0.000 0.530 162 Y N -1.291 119.096 120.300 0.145 0.000 2.165 162 Y HA -0.262 4.288 4.550 0.001 0.000 0.286 162 Y C 2.720 178.742 175.900 0.203 0.000 1.155 162 Y CA 1.843 60.034 58.100 0.152 0.000 1.164 162 Y CB -0.890 37.620 38.460 0.083 0.000 0.978 162 Y HN -0.028 8.252 8.280 -0.000 0.000 0.513 163 S N -0.975 114.907 115.700 0.302 0.000 2.436 163 S HA -0.087 4.383 4.470 0.001 0.000 0.228 163 S C 2.214 176.939 174.600 0.208 0.000 1.014 163 S CA 0.816 59.149 58.200 0.221 0.000 0.950 163 S CB -0.386 62.915 63.200 0.168 0.000 0.784 163 S HN 0.196 8.506 8.310 -0.000 0.000 0.504 164 V N 1.353 121.405 119.914 0.230 0.000 2.295 164 V HA -0.174 3.947 4.120 0.001 0.000 0.246 164 V C 1.854 178.113 176.094 0.274 0.000 1.049 164 V CA 1.818 64.247 62.300 0.215 0.000 1.024 164 V CB -0.691 31.201 31.823 0.115 0.000 0.648 164 V HN 0.535 8.725 8.190 -0.000 0.000 0.447 165 F N 1.541 121.594 119.950 0.171 0.000 2.102 165 F HA -0.200 4.328 4.527 0.001 0.000 0.298 165 F C 2.175 177.951 175.800 -0.041 0.000 1.105 165 F CA 2.112 60.124 58.000 0.021 0.000 1.239 165 F CB -0.338 38.672 39.000 0.016 0.000 0.991 165 F HN 0.205 8.505 8.300 -0.000 0.000 0.474 166 D N 0.582 121.122 120.400 0.234 0.000 2.144 166 D HA -0.172 4.469 4.640 0.001 0.000 0.199 166 D C 2.424 178.702 176.300 -0.037 0.000 0.984 166 D CA 1.423 55.461 54.000 0.064 0.000 0.834 166 D CB -0.529 40.338 40.800 0.111 0.000 0.955 166 D HN 0.338 8.708 8.370 -0.000 0.000 0.465 167 L N -0.212 121.028 121.223 0.028 0.000 2.083 167 L HA -0.192 4.148 4.340 0.001 0.000 0.209 167 L C 2.376 179.234 176.870 -0.020 0.000 1.083 167 L CA 1.059 55.910 54.840 0.018 0.000 0.752 167 L CB -0.315 41.784 42.059 0.066 0.000 0.899 167 L HN 0.136 8.366 8.230 -0.000 0.000 0.433 168 H N -0.168 118.799 119.070 -0.172 0.000 2.357 168 H HA -0.185 4.372 4.556 0.001 0.000 0.301 168 H C 1.933 177.050 175.328 -0.351 0.000 1.082 168 H CA 1.572 57.468 56.048 -0.254 0.000 1.342 168 H CB 0.021 29.541 29.762 -0.403 0.000 1.389 168 H HN 0.138 8.418 8.280 -0.000 0.000 0.511 169 L N 0.794 121.722 121.223 -0.491 0.000 2.079 169 L HA -0.105 4.236 4.340 0.001 0.000 0.210 169 L C 1.995 178.646 176.870 -0.365 0.000 1.081 169 L CA 1.823 56.327 54.840 -0.561 0.000 0.752 169 L CB -0.567 41.148 42.059 -0.574 0.000 0.896 169 L HN 0.148 8.378 8.230 -0.000 0.000 0.433 170 K N -0.578 119.688 120.400 -0.224 0.000 2.097 170 K HA -0.163 4.158 4.320 0.001 0.000 0.205 170 K C 2.001 178.563 176.600 -0.063 0.000 1.050 170 K CA 1.413 57.634 56.287 -0.110 0.000 0.938 170 K CB -0.198 32.265 32.500 -0.062 0.000 0.718 170 K HN 0.428 8.678 8.250 -0.000 0.000 0.442 171 N N 0.851 119.497 118.700 -0.091 0.000 2.309 171 N HA -0.130 4.610 4.740 0.001 0.000 0.182 171 N C 1.342 176.889 175.510 0.061 0.000 1.018 171 N CA 1.081 54.120 53.050 -0.018 0.000 0.876 171 N CB 0.052 38.502 38.487 -0.062 0.000 0.972 171 N HN 0.113 8.493 8.380 -0.000 0.000 0.434 172 N N 0.553 119.183 118.700 -0.116 0.000 2.166 172 N HA -0.110 4.631 4.740 0.001 0.000 0.186 172 N C 1.555 177.252 175.510 0.311 0.000 1.019 172 N CA 1.238 54.292 53.050 0.006 0.000 0.856 172 N CB -0.326 37.825 38.487 -0.560 0.000 0.993 172 N HN 0.633 9.013 8.380 -0.000 0.000 0.426 173 I N -2.140 118.553 120.570 0.204 0.000 3.578 173 I HA 0.095 4.265 4.170 0.001 0.000 0.295 173 I C 0.872 177.110 176.117 0.202 0.000 1.280 173 I CA 0.549 62.020 61.300 0.284 0.000 1.347 173 I CB -0.066 38.067 38.000 0.220 0.000 1.051 173 I HN -0.133 8.077 8.210 -0.000 0.000 0.460 174 K N 0.802 121.310 120.400 0.180 0.000 2.555 174 K HA -0.069 4.252 4.320 0.001 0.000 0.193 174 K C 0.461 177.081 176.600 0.033 0.000 1.032 174 K CA 0.227 56.582 56.287 0.113 0.000 1.004 174 K CB -0.130 32.451 32.500 0.136 0.000 0.804 174 K HN 0.439 8.689 8.250 -0.000 0.000 0.496 175 W N 2.326 123.520 121.300 -0.176 0.000 2.123 175 W HA -0.014 4.646 4.660 0.001 0.000 0.351 175 W C -0.248 176.047 176.519 -0.373 0.000 1.292 175 W CA 0.627 57.623 57.345 -0.582 0.000 1.263 175 W CB 0.506 29.599 29.460 -0.612 0.000 1.165 175 W HN -0.047 8.133 8.180 -0.000 0.000 0.590 176 D N 1.564 120.810 120.400 -1.925 0.000 2.736 176 D HA 0.109 4.750 4.640 0.001 0.000 0.223 176 D C 0.489 175.495 176.300 -2.157 0.000 1.231 176 D CA -0.461 52.544 54.000 -1.658 0.000 0.818 176 D CB 1.654 41.978 40.800 -0.793 0.000 1.587 176 D HN 0.383 8.753 8.370 -0.000 0.000 0.463 177 E N 0.198 119.514 120.200 -1.473 0.000 2.086 177 E HA -0.225 4.126 4.350 0.001 0.000 0.200 177 E C 1.830 178.189 176.600 -0.402 0.000 1.012 177 E CA 2.114 58.080 56.400 -0.723 0.000 0.812 177 E CB -0.140 29.404 29.700 -0.261 0.000 0.743 177 E HN 0.499 8.859 8.360 -0.000 0.000 0.453 178 S N 0.573 116.047 115.700 -0.378 0.000 2.402 178 S HA -0.267 4.204 4.470 0.001 0.000 0.233 178 S C 1.463 175.966 174.600 -0.162 0.000 1.030 178 S CA 1.281 59.355 58.200 -0.211 0.000 1.003 178 S CB -0.484 62.602 63.200 -0.190 0.000 0.813 178 S HN 0.372 8.682 8.310 -0.000 0.000 0.477 179 Q N 1.759 121.398 119.800 -0.269 0.000 2.282 179 Q HA 0.462 4.802 4.340 0.001 0.000 0.205 179 Q C 1.141 177.201 176.000 0.099 0.000 0.915 179 Q CA 0.072 55.821 55.803 -0.091 0.000 0.949 179 Q CB -0.361 28.282 28.738 -0.158 0.000 1.035 179 Q HN 0.701 8.971 8.270 -0.000 0.000 0.484 180 G N 2.148 111.016 108.800 0.113 0.000 2.587 180 G HA2 -0.274 3.686 3.960 0.001 0.000 0.212 180 G HA3 -0.274 3.686 3.960 0.001 0.000 0.212 180 G C -1.026 174.070 174.900 0.327 0.000 1.327 180 G CA -0.458 44.771 45.100 0.214 0.000 0.898 180 G HN 0.449 8.739 8.290 -0.000 0.000 0.551 181 D N -0.250 120.314 120.400 0.273 0.000 2.493 181 D HA 0.285 4.925 4.640 0.001 0.000 0.240 181 D C 1.698 178.004 176.300 0.010 0.000 1.142 181 D CA 0.274 54.415 54.000 0.235 0.000 0.872 181 D CB 0.866 41.824 40.800 0.263 0.000 1.173 181 D HN 0.751 9.121 8.370 -0.000 0.000 0.467 182 L N 4.804 125.707 121.223 -0.533 0.000 1.989 182 L HA -0.170 4.170 4.340 0.001 0.000 0.211 182 L C 1.575 178.299 176.870 -0.243 0.000 1.071 182 L CA 1.771 55.983 54.840 -1.047 0.000 0.749 182 L CB -0.836 40.157 42.059 -1.777 0.000 0.890 182 L HN 0.532 8.762 8.230 -0.000 0.000 0.431 183 N N -0.229 118.507 118.700 0.062 0.000 2.223 183 N HA -0.187 4.553 4.740 0.001 0.000 0.185 183 N C 1.784 177.376 175.510 0.136 0.000 1.016 183 N CA 1.483 54.616 53.050 0.138 0.000 0.863 183 N CB -0.065 38.491 38.487 0.114 0.000 0.983 183 N HN 0.560 8.940 8.380 -0.000 0.000 0.429 184 E N -0.295 119.992 120.200 0.144 0.000 2.072 184 E HA -0.154 4.196 4.350 0.001 0.000 0.190 184 E C 1.684 178.389 176.600 0.175 0.000 0.982 184 E CA 0.497 56.985 56.400 0.147 0.000 0.803 184 E CB -0.156 29.633 29.700 0.148 0.000 0.755 184 E HN 0.359 8.719 8.360 -0.000 0.000 0.453 185 Y N 1.195 121.538 120.300 0.073 0.000 2.053 185 Y HA -0.329 4.221 4.550 0.001 0.000 0.277 185 Y C 2.135 178.096 175.900 0.102 0.000 1.159 185 Y CA 1.618 59.784 58.100 0.110 0.000 1.125 185 Y CB -0.597 37.965 38.460 0.169 0.000 0.969 185 Y HN -0.168 8.112 8.280 -0.000 0.000 0.492 186 V N 0.579 120.561 119.914 0.113 0.000 2.324 186 V HA -0.381 3.740 4.120 0.001 0.000 0.250 186 V C 2.620 178.761 176.094 0.079 0.000 1.060 186 V CA 2.058 64.377 62.300 0.031 0.000 1.042 186 V CB -1.557 30.373 31.823 0.178 0.000 0.650 186 V HN 0.635 8.825 8.190 -0.000 0.000 0.450 187 A N -0.287 122.594 122.820 0.102 0.000 2.016 187 A HA -0.094 4.226 4.320 0.001 0.000 0.217 187 A C 1.864 179.490 177.584 0.070 0.000 1.162 187 A CA 1.429 53.532 52.037 0.109 0.000 0.662 187 A CB -0.349 18.711 19.000 0.099 0.000 0.812 187 A HN 0.592 8.742 8.150 -0.000 0.000 0.450 188 N N -0.013 118.705 118.700 0.030 0.000 2.299 188 N HA 0.226 4.966 4.740 0.001 0.000 0.187 188 N C 0.482 175.973 175.510 -0.031 0.000 1.099 188 N CA 0.647 53.705 53.050 0.014 0.000 0.867 188 N CB -0.038 38.472 38.487 0.038 0.000 0.974 188 N HN 0.401 8.781 8.380 -0.000 0.000 0.477 189 A N 1.071 123.829 122.820 -0.103 0.000 2.511 189 A HA 0.058 4.378 4.320 0.001 0.000 0.242 189 A C 0.624 178.197 177.584 -0.018 0.000 1.069 189 A CA -0.085 51.863 52.037 -0.148 0.000 0.763 189 A CB -0.084 18.751 19.000 -0.275 0.000 1.001 189 A HN 0.097 8.247 8.150 -0.000 0.000 0.498 190 N N 1.703 120.396 118.700 -0.013 0.000 3.178 190 N HA 0.142 4.882 4.740 0.001 0.000 0.300 190 N C -0.002 175.530 175.510 0.036 0.000 1.242 190 N CA 0.463 53.522 53.050 0.015 0.000 1.192 190 N CB -0.259 38.235 38.487 0.012 0.000 1.463 190 N HN 0.735 9.115 8.380 -0.000 0.000 0.539 191 T N -2.072 112.527 114.554 0.075 0.000 2.929 191 T HA 0.393 4.744 4.350 0.001 0.000 0.284 191 T C 1.952 176.708 174.700 0.093 0.000 1.014 191 T CA -0.808 61.364 62.100 0.120 0.000 1.051 191 T CB 0.989 70.024 68.868 0.278 0.000 1.028 191 T HN 0.124 8.364 8.240 -0.000 0.000 0.485 192 I N 0.199 120.822 120.570 0.087 0.000 2.194 192 I HA -0.177 3.994 4.170 0.001 0.000 0.246 192 I C 2.265 178.401 176.117 0.033 0.000 1.093 192 I CA 1.689 63.019 61.300 0.050 0.000 1.355 192 I CB -0.554 37.479 38.000 0.055 0.000 1.046 192 I HN 0.737 8.947 8.210 -0.000 0.000 0.413 193 Y N 2.509 122.772 120.300 -0.062 0.000 2.114 193 Y HA -0.343 4.208 4.550 0.001 0.000 0.282 193 Y C 2.387 178.199 175.900 -0.146 0.000 1.165 193 Y CA 2.024 60.038 58.100 -0.142 0.000 1.148 193 Y CB -0.401 37.849 38.460 -0.351 0.000 0.972 193 Y HN 0.207 8.487 8.280 -0.000 0.000 0.504 194 N N 0.024 118.676 118.700 -0.080 0.000 2.381 194 N HA -0.121 4.619 4.740 0.001 0.000 0.182 194 N C 1.438 176.897 175.510 -0.085 0.000 1.025 194 N CA 1.030 54.025 53.050 -0.092 0.000 0.888 194 N CB -0.160 38.343 38.487 0.027 0.000 0.965 194 N HN 0.307 8.687 8.380 -0.000 0.000 0.438 195 K N 0.625 120.988 120.400 -0.061 0.000 2.296 195 K HA 0.153 4.474 4.320 0.001 0.000 0.200 195 K C 0.595 177.161 176.600 -0.057 0.000 1.048 195 K CA 0.096 56.356 56.287 -0.045 0.000 0.966 195 K CB 0.048 32.533 32.500 -0.024 0.000 0.754 195 K HN 0.249 8.499 8.250 -0.000 0.000 0.466 196 I N 3.523 124.036 120.570 -0.095 0.000 2.349 196 I HA -0.039 4.131 4.170 0.001 0.000 0.302 196 I C 0.682 176.771 176.117 -0.045 0.000 1.180 196 I CA -0.184 61.082 61.300 -0.057 0.000 1.405 196 I CB -0.455 37.499 38.000 -0.076 0.000 1.474 196 I HN 0.040 8.250 8.210 -0.000 0.000 0.632 197 T N -0.073 114.472 114.554 -0.016 0.000 2.862 197 T HA 0.189 4.540 4.350 0.001 0.000 0.276 197 T C 1.056 175.776 174.700 0.034 0.000 0.974 197 T CA -0.663 61.432 62.100 -0.008 0.000 0.966 197 T CB 1.819 70.681 68.868 -0.010 0.000 1.072 197 T HN 0.573 8.813 8.240 -0.000 0.000 0.538 198 E N 0.100 120.323 120.200 0.038 0.000 2.118 198 E HA -0.218 4.132 4.350 0.001 0.000 0.195 198 E C 1.310 177.959 176.600 0.082 0.000 0.992 198 E CA 1.607 58.053 56.400 0.077 0.000 0.804 198 E CB -0.124 29.611 29.700 0.059 0.000 0.741 198 E HN 0.651 9.011 8.360 -0.000 0.000 0.458 199 D N -0.123 120.311 120.400 0.056 0.000 2.117 199 D HA -0.133 4.507 4.640 0.001 0.000 0.198 199 D C 2.087 178.438 176.300 0.085 0.000 0.982 199 D CA 1.099 55.136 54.000 0.062 0.000 0.828 199 D CB -0.070 40.750 40.800 0.033 0.000 0.967 199 D HN 0.147 8.517 8.370 -0.000 0.000 0.464 200 V N 1.931 121.885 119.914 0.066 0.000 2.343 200 V HA -0.213 3.907 4.120 0.001 0.000 0.247 200 V C 2.545 178.717 176.094 0.129 0.000 1.051 200 V CA 0.955 63.310 62.300 0.091 0.000 1.036 200 V CB -0.238 31.617 31.823 0.054 0.000 0.654 200 V HN 0.166 8.356 8.190 -0.000 0.000 0.451 201 I N 0.170 120.795 120.570 0.092 0.000 2.142 201 I HA -0.210 3.961 4.170 0.001 0.000 0.240 201 I C 2.410 178.474 176.117 -0.089 0.000 1.078 201 I CA 1.735 63.047 61.300 0.021 0.000 1.343 201 I CB -1.323 36.677 38.000 -0.001 0.000 1.046 201 I HN 0.343 8.553 8.210 -0.000 0.000 0.405 202 D N 0.011 120.392 120.400 -0.031 0.000 2.133 202 D HA -0.275 4.365 4.640 0.001 0.000 0.192 202 D C 2.112 178.408 176.300 -0.007 0.000 1.001 202 D CA 1.522 55.500 54.000 -0.037 0.000 0.844 202 D CB -0.436 40.406 40.800 0.070 0.000 0.944 202 D HN 0.398 8.768 8.370 -0.000 0.000 0.447 203 Y N 1.348 121.627 120.300 -0.035 0.000 2.242 203 Y HA -0.181 4.370 4.550 0.001 0.000 0.291 203 Y C 2.384 178.271 175.900 -0.022 0.000 1.137 203 Y CA 1.616 59.704 58.100 -0.020 0.000 1.181 203 Y CB -0.293 38.163 38.460 -0.008 0.000 0.989 203 Y HN -0.116 8.164 8.280 -0.000 0.000 0.527 204 T N 1.375 115.950 114.554 0.035 0.000 2.821 204 T HA -0.126 4.225 4.350 0.001 0.000 0.267 204 T C 1.838 176.486 174.700 -0.086 0.000 1.046 204 T CA 1.857 63.961 62.100 0.007 0.000 1.139 204 T CB -0.384 68.577 68.868 0.156 0.000 0.871 204 T HN 0.632 8.872 8.240 -0.000 0.000 0.454 205 I N -2.204 118.268 120.570 -0.162 0.000 3.854 205 I HA 0.297 4.467 4.170 0.001 0.000 0.312 205 I C 0.894 176.918 176.117 -0.154 0.000 1.273 205 I CA -0.123 61.065 61.300 -0.187 0.000 1.298 205 I CB -0.013 37.756 38.000 -0.384 0.000 1.071 205 I HN 0.061 8.271 8.210 -0.000 0.000 0.428 206 K N 2.187 122.491 120.400 -0.160 0.000 1.673 206 K HA -0.305 4.015 4.320 0.001 0.000 0.127 206 K C 0.301 176.906 176.600 0.010 0.000 1.035 206 K CA 2.386 58.614 56.287 -0.098 0.000 0.314 206 K CB -1.358 31.057 32.500 -0.143 0.000 0.670 206 K HN 0.661 8.911 8.250 -0.000 0.000 0.842 207 D N -0.024 120.362 120.400 -0.025 0.000 2.559 207 D HA 0.201 4.842 4.640 0.001 0.000 0.234 207 D C 0.910 177.089 176.300 -0.202 0.000 1.226 207 D CA 0.493 54.452 54.000 -0.068 0.000 0.830 207 D CB 0.133 40.870 40.800 -0.106 0.000 1.028 207 D HN 0.547 8.917 8.370 -0.000 0.000 0.492 208 G N 0.180 108.930 108.800 -0.082 0.000 3.124 208 G HA2 0.092 4.052 3.960 0.001 0.000 0.212 208 G HA3 0.092 4.052 3.960 0.001 0.000 0.212 208 G C 0.063 174.954 174.900 -0.015 0.000 1.181 208 G CA -0.261 44.799 45.100 -0.067 0.000 0.803 208 G HN 0.447 8.737 8.290 -0.000 0.000 0.529 209 Y N -1.157 119.105 120.300 -0.063 0.000 2.453 209 Y HA 0.761 5.311 4.550 0.001 0.000 0.326 209 Y C 0.040 175.915 175.900 -0.041 0.000 1.186 209 Y CA -1.829 56.247 58.100 -0.039 0.000 1.200 209 Y CB 1.261 39.718 38.460 -0.005 0.000 1.247 209 Y HN 0.017 8.297 8.280 -0.000 0.000 0.482 210 E N 0.846 121.051 120.200 0.009 0.000 2.232 210 E HA 0.403 4.754 4.350 0.001 0.000 0.264 210 E C -1.431 174.961 176.600 -0.347 0.000 0.973 210 E CA -1.175 55.165 56.400 -0.101 0.000 0.849 210 E CB 2.205 31.997 29.700 0.154 0.000 1.198 210 E HN 0.727 9.087 8.360 -0.000 0.000 0.407 211 E N 1.672 121.747 120.200 -0.210 0.000 2.367 211 E HA 0.136 4.486 4.350 0.001 0.000 0.292 211 E C -1.652 174.945 176.600 -0.006 0.000 0.900 211 E CA -0.424 55.842 56.400 -0.224 0.000 0.807 211 E CB 0.921 30.577 29.700 -0.074 0.000 1.337 211 E HN 0.329 8.689 8.360 -0.000 0.000 0.394 212 D N 2.897 123.379 120.400 0.136 0.000 2.272 212 D HA 0.171 4.812 4.640 0.001 0.000 0.247 212 D C -0.267 176.144 176.300 0.185 0.000 0.990 212 D CA -0.436 53.636 54.000 0.120 0.000 0.931 212 D CB 1.563 42.381 40.800 0.029 0.000 1.195 212 D HN 0.567 8.937 8.370 -0.000 0.000 0.477 213 E N 0.152 120.398 120.200 0.077 0.000 2.283 213 E HA 0.386 4.737 4.350 0.001 0.000 0.271 213 E C -1.201 175.442 176.600 0.071 0.000 1.031 213 E CA -0.537 55.967 56.400 0.173 0.000 0.868 213 E CB 0.970 30.743 29.700 0.121 0.000 1.094 213 E HN 0.299 8.659 8.360 -0.000 0.000 0.401 214 Y N 1.110 121.521 120.300 0.185 0.000 2.373 214 Y HA 0.304 4.855 4.550 0.001 0.000 0.336 214 Y C -0.276 175.706 175.900 0.137 0.000 0.979 214 Y CA -1.113 57.094 58.100 0.179 0.000 1.080 214 Y CB 1.885 40.471 38.460 0.209 0.000 1.190 214 Y HN 0.511 8.791 8.280 -0.000 0.000 0.446 215 N N 1.983 120.825 118.700 0.238 0.000 2.515 215 N HA 0.278 5.018 4.740 0.001 0.000 0.279 215 N C -0.884 174.760 175.510 0.224 0.000 1.164 215 N CA -0.744 52.427 53.050 0.200 0.000 0.982 215 N CB 1.005 39.581 38.487 0.147 0.000 1.170 215 N HN 0.472 8.852 8.380 -0.000 0.000 0.474 216 L N 1.099 122.458 121.223 0.226 0.000 2.601 216 L HA 0.097 4.437 4.340 0.001 0.000 0.277 216 L C 1.632 178.663 176.870 0.269 0.000 1.219 216 L CA 1.312 56.283 54.840 0.218 0.000 0.915 216 L CB -0.719 41.495 42.059 0.258 0.000 1.160 216 L HN 0.926 9.156 8.230 -0.000 0.000 0.494 217 G N 1.485 110.419 108.800 0.223 0.000 2.201 217 G HA2 -0.186 3.775 3.960 0.001 0.000 0.212 217 G HA3 -0.186 3.775 3.960 0.001 0.000 0.212 217 G C 0.046 175.123 174.900 0.295 0.000 0.994 217 G CA -0.174 45.098 45.100 0.287 0.000 0.644 217 G HN 0.539 8.829 8.290 -0.000 0.000 0.508 218 D N 0.848 121.420 120.400 0.287 0.000 2.229 218 D HA 0.793 5.433 4.640 0.001 0.000 0.249 218 D C 0.452 177.006 176.300 0.422 0.000 1.027 218 D CA 0.834 55.037 54.000 0.339 0.000 0.923 218 D CB 1.734 42.751 40.800 0.363 0.000 1.174 218 D HN 0.875 9.245 8.370 -0.000 0.000 0.443 219 A N 0.686 123.794 122.820 0.479 0.000 2.594 219 A HA 0.633 4.954 4.320 0.001 0.000 0.291 219 A C -1.776 176.232 177.584 0.705 0.000 1.105 219 A CA -0.720 51.602 52.037 0.476 0.000 0.694 219 A CB 1.330 20.577 19.000 0.413 0.000 1.291 219 A HN 0.369 8.519 8.150 -0.000 0.000 0.410 220 F N 0.938 121.223 119.950 0.558 0.000 2.444 220 F HA 0.715 5.242 4.527 0.001 0.000 0.342 220 F C -1.207 174.941 175.800 0.579 0.000 1.121 220 F CA -1.379 56.957 58.000 0.559 0.000 0.997 220 F CB 1.267 40.534 39.000 0.444 0.000 1.130 220 F HN 0.475 8.775 8.300 -0.000 0.000 0.454 221 F N 8.501 128.267 119.950 -0.308 0.000 2.458 221 F HA 0.696 5.223 4.527 0.001 0.000 0.336 221 F C -1.721 173.873 175.800 -0.344 0.000 1.114 221 F CA -1.439 56.430 58.000 -0.217 0.000 0.987 221 F CB 1.137 40.087 39.000 -0.084 0.000 1.130 221 F HN 0.344 8.644 8.300 -0.000 0.000 0.458 222 F N 4.133 123.408 119.950 -1.126 0.000 2.622 222 F HA 0.404 4.931 4.527 0.001 0.000 0.318 222 F C -1.276 174.140 175.800 -0.640 0.000 1.135 222 F CA -1.533 56.026 58.000 -0.735 0.000 1.015 222 F CB -0.014 38.686 39.000 -0.500 0.000 1.275 222 F HN 0.495 8.795 8.300 -0.000 0.000 0.457 223 N N 1.971 120.467 118.700 -0.341 0.000 2.354 223 N HA 0.146 4.886 4.740 0.001 0.000 0.246 223 N C 0.433 175.641 175.510 -0.502 0.000 1.285 223 N CA -0.250 52.481 53.050 -0.531 0.000 0.925 223 N CB 0.707 39.003 38.487 -0.319 0.000 1.174 223 N HN 0.889 9.269 8.380 -0.000 0.000 0.478 224 K N -1.176 118.674 120.400 -0.916 0.000 2.589 224 K HA -0.063 4.257 4.320 0.001 0.000 0.192 224 K C -0.175 176.236 176.600 -0.315 0.000 1.029 224 K CA 0.887 56.737 56.287 -0.729 0.000 1.031 224 K CB -0.368 31.402 32.500 -1.216 0.000 0.821 224 K HN 0.525 8.775 8.250 -0.000 0.000 0.502 225 Y N 0.462 120.757 120.300 -0.007 0.000 2.458 225 Y HA 0.217 4.768 4.550 0.001 0.000 0.256 225 Y C 0.313 176.359 175.900 0.244 0.000 1.159 225 Y CA -1.145 57.029 58.100 0.123 0.000 1.261 225 Y CB 0.455 38.933 38.460 0.030 0.000 1.119 225 Y HN -0.192 8.088 8.280 -0.000 0.000 0.524 226 V N 2.782 122.917 119.914 0.369 0.000 2.408 226 V HA 0.066 4.187 4.120 0.001 0.000 0.267 226 V C 0.055 176.382 176.094 0.388 0.000 1.047 226 V CA -0.857 61.685 62.300 0.403 0.000 0.937 226 V CB 0.824 32.895 31.823 0.412 0.000 0.999 226 V HN 0.111 8.301 8.190 -0.000 0.000 0.472 227 L N 8.155 129.543 121.223 0.275 0.000 2.455 227 L HA 0.402 4.742 4.340 0.001 0.000 0.272 227 L C 0.071 177.036 176.870 0.158 0.000 1.174 227 L CA 0.946 55.802 54.840 0.026 0.000 0.869 227 L CB -0.050 41.754 42.059 -0.426 0.000 1.130 227 L HN 0.905 9.135 8.230 -0.000 0.000 0.474 228 H N 3.528 122.553 119.070 -0.075 0.000 2.967 228 H HA 0.546 5.102 4.556 0.001 0.000 0.318 228 H C -1.973 172.983 175.328 -0.621 0.000 1.375 228 H CA -0.822 55.078 56.048 -0.247 0.000 1.132 228 H CB 1.390 30.868 29.762 -0.473 0.000 1.848 228 H HN 0.725 9.005 8.280 -0.000 0.000 0.524 229 Q N 1.041 120.400 119.800 -0.735 0.000 2.647 229 Q HA 0.463 4.804 4.340 0.001 0.000 0.283 229 Q C -1.710 173.944 176.000 -0.577 0.000 0.943 229 Q CA -0.911 54.446 55.803 -0.744 0.000 0.813 229 Q CB 1.774 29.891 28.738 -1.035 0.000 1.477 229 Q HN 0.583 8.853 8.270 -0.000 0.000 0.393 230 S N 0.857 116.322 115.700 -0.392 0.000 2.565 230 S HA 0.480 4.951 4.470 0.001 0.000 0.274 230 S C -0.098 174.310 174.600 -0.320 0.000 1.309 230 S CA -0.584 57.418 58.200 -0.331 0.000 1.043 230 S CB 1.220 64.314 63.200 -0.176 0.000 0.939 230 S HN 0.400 8.710 8.310 -0.000 0.000 0.504 231 V N 4.202 123.956 119.914 -0.267 0.000 2.612 231 V HA 0.394 4.515 4.120 0.001 0.000 0.301 231 V C -2.233 173.804 176.094 -0.095 0.000 1.046 231 V CA -2.142 60.034 62.300 -0.208 0.000 0.946 231 V CB 1.279 32.983 31.823 -0.198 0.000 1.003 231 V HN 0.648 8.838 8.190 -0.000 0.000 0.459 232 P HA 0.259 4.679 4.420 -0.000 0.000 0.274 232 P C -0.869 176.447 177.300 0.026 0.000 1.231 232 P CA -0.418 62.676 63.100 -0.009 0.000 0.790 232 P CB 0.600 32.286 31.700 -0.023 0.000 0.951 233 L N 2.882 124.144 121.223 0.065 0.000 2.292 233 L HA 0.333 4.674 4.340 0.001 0.000 0.284 233 L C -0.106 176.832 176.870 0.114 0.000 1.065 233 L CA -0.354 54.551 54.840 0.107 0.000 0.806 233 L CB 0.318 42.449 42.059 0.120 0.000 1.175 233 L HN 0.109 8.339 8.230 -0.000 0.000 0.431 234 K N 6.009 126.499 120.400 0.150 0.000 2.322 234 K HA 0.236 4.557 4.320 0.001 0.000 0.283 234 K C -1.873 174.882 176.600 0.258 0.000 1.042 234 K CA -1.930 54.431 56.287 0.123 0.000 0.958 234 K CB 0.601 33.048 32.500 -0.087 0.000 0.984 234 K HN 0.414 8.664 8.250 -0.000 0.000 0.473 235 P HA -0.171 4.249 4.420 -0.000 0.000 0.218 235 P C 1.270 178.665 177.300 0.158 0.000 1.148 235 P CA 1.217 64.396 63.100 0.133 0.000 0.822 235 P CB 0.258 32.006 31.700 0.081 0.000 0.784 236 G N 0.413 109.368 108.800 0.258 0.000 2.552 236 G HA2 -0.277 3.684 3.960 0.001 0.000 0.216 236 G HA3 -0.277 3.684 3.960 0.001 0.000 0.216 236 G C 1.439 176.313 174.900 -0.043 0.000 1.240 236 G CA 0.862 46.107 45.100 0.242 0.000 0.796 236 G HN 0.233 8.523 8.290 -0.000 0.000 0.568 237 L N 0.063 120.970 121.223 -0.527 0.000 1.989 237 L HA 0.121 4.462 4.340 0.001 0.000 0.211 237 L C 1.005 177.554 176.870 -0.536 0.000 1.071 237 L CA 1.511 55.869 54.840 -0.804 0.000 0.749 237 L CB -0.573 40.745 42.059 -1.236 0.000 0.890 237 L HN 0.411 8.640 8.230 -0.000 0.000 0.431 238 H N -2.538 116.463 119.070 -0.116 0.000 2.834 238 H HA 0.374 4.931 4.556 0.001 0.000 0.369 238 H C 0.516 175.837 175.328 -0.012 0.000 1.174 238 H CA -0.726 55.294 56.048 -0.046 0.000 1.165 238 H CB 1.294 31.040 29.762 -0.026 0.000 1.820 238 H HN -0.193 8.086 8.280 -0.000 0.000 0.558 239 K N 0.399 120.886 120.400 0.145 0.000 2.098 239 K HA 0.188 4.508 4.320 0.001 0.000 0.203 239 K C -0.097 176.541 176.600 0.062 0.000 1.051 239 K CA 0.888 57.221 56.287 0.076 0.000 0.957 239 K CB 0.479 33.009 32.500 0.050 0.000 0.738 239 K HN 0.313 8.563 8.250 -0.000 0.000 0.447 240 L N 0.447 121.703 121.223 0.054 0.000 2.359 240 L HA 0.380 4.720 4.340 0.001 0.000 0.256 240 L C -0.666 176.188 176.870 -0.027 0.000 1.026 240 L CA -1.110 53.733 54.840 0.006 0.000 0.828 240 L CB 2.227 44.272 42.059 -0.024 0.000 1.406 240 L HN -0.077 8.153 8.230 -0.000 0.000 0.413 241 R N 2.010 122.492 120.500 -0.030 0.000 2.230 241 R HA 0.408 4.748 4.340 0.001 0.000 0.337 241 R C -0.910 175.355 176.300 -0.059 0.000 1.063 241 R CA -0.503 55.576 56.100 -0.034 0.000 0.935 241 R CB 0.389 30.702 30.300 0.023 0.000 1.121 241 R HN 0.437 8.707 8.270 -0.000 0.000 0.486 242 R N 1.780 122.204 120.500 -0.126 0.000 2.295 242 R HA 0.626 4.967 4.340 0.001 0.000 0.324 242 R C -0.698 175.473 176.300 -0.214 0.000 0.968 242 R CA -0.512 55.486 56.100 -0.169 0.000 0.837 242 R CB 2.039 32.222 30.300 -0.195 0.000 1.133 242 R HN 0.589 8.859 8.270 -0.000 0.000 0.450 243 A N 2.989 125.681 122.820 -0.213 0.000 2.587 243 A HA 0.703 5.024 4.320 0.001 0.000 0.293 243 A C -1.672 175.757 177.584 -0.259 0.000 1.087 243 A CA -0.645 51.230 52.037 -0.270 0.000 0.692 243 A CB 1.261 20.152 19.000 -0.182 0.000 1.291 243 A HN 0.529 8.679 8.150 -0.000 0.000 0.407 244 F N 0.699 120.540 119.950 -0.182 0.000 2.458 244 F HA 0.578 5.105 4.527 0.001 0.000 0.336 244 F C -0.075 175.745 175.800 0.033 0.000 1.114 244 F CA -0.466 57.469 58.000 -0.109 0.000 0.987 244 F CB 2.395 41.247 39.000 -0.247 0.000 1.130 244 F HN 0.281 8.581 8.300 -0.000 0.000 0.458 245 V N 5.908 126.059 119.914 0.396 0.000 2.350 245 V HA 0.375 4.495 4.120 0.001 0.000 0.285 245 V C -0.288 175.973 176.094 0.279 0.000 1.014 245 V CA -0.718 61.796 62.300 0.356 0.000 0.831 245 V CB 1.278 33.324 31.823 0.371 0.000 1.000 245 V HN 0.375 8.565 8.190 -0.000 0.000 0.433 246 I N 4.901 125.592 120.570 0.202 0.000 2.315 246 I HA 0.469 4.640 4.170 0.001 0.000 0.291 246 I C 0.429 176.641 176.117 0.159 0.000 1.006 246 I CA -0.481 60.906 61.300 0.146 0.000 1.265 246 I CB 1.168 39.236 38.000 0.114 0.000 1.387 246 I HN 0.541 8.751 8.210 -0.000 0.000 0.475 247 R N 6.289 126.892 120.500 0.170 0.000 2.254 247 R HA 0.711 5.052 4.340 0.001 0.000 0.318 247 R C -0.810 175.632 176.300 0.237 0.000 1.031 247 R CA -0.343 55.869 56.100 0.185 0.000 0.905 247 R CB 1.089 31.407 30.300 0.031 0.000 1.050 247 R HN 0.483 8.753 8.270 -0.000 0.000 0.456 248 L N 2.798 124.204 121.223 0.304 0.000 2.354 248 L HA 0.751 5.091 4.340 0.001 0.000 0.264 248 L C -0.515 176.558 176.870 0.339 0.000 1.008 248 L CA -1.244 53.769 54.840 0.288 0.000 0.819 248 L CB 1.954 44.178 42.059 0.275 0.000 1.339 248 L HN 0.361 8.591 8.230 -0.000 0.000 0.420 249 V N -2.633 117.471 119.914 0.317 0.000 3.040 249 V HA 0.586 4.707 4.120 0.001 0.000 0.312 249 V C -0.987 175.300 176.094 0.322 0.000 1.115 249 V CA -0.809 61.689 62.300 0.330 0.000 0.998 249 V CB 1.994 34.004 31.823 0.312 0.000 1.042 249 V HN 0.750 8.940 8.190 -0.000 0.000 0.433 250 D N 0.666 121.280 120.400 0.357 0.000 2.372 250 D HA 0.161 4.802 4.640 0.001 0.000 0.243 250 D C 0.752 177.177 176.300 0.208 0.000 1.121 250 D CA 0.121 54.264 54.000 0.238 0.000 0.898 250 D CB 0.797 41.709 40.800 0.186 0.000 1.202 250 D HN 0.693 9.063 8.370 -0.000 0.000 0.428 251 Y N 1.817 122.150 120.300 0.055 0.000 2.271 251 Y HA -0.224 4.326 4.550 0.001 0.000 0.284 251 Y C 0.992 176.898 175.900 0.011 0.000 1.189 251 Y CA 1.891 60.003 58.100 0.020 0.000 1.229 251 Y CB 0.188 38.632 38.460 -0.028 0.000 0.973 251 Y HN 0.460 8.740 8.280 -0.000 0.000 0.537 252 D N -0.812 119.623 120.400 0.058 0.000 2.368 252 D HA 0.072 4.713 4.640 0.001 0.000 0.218 252 D C 0.028 176.491 176.300 0.271 0.000 1.112 252 D CA 0.232 54.257 54.000 0.042 0.000 0.834 252 D CB 0.047 40.907 40.800 0.101 0.000 0.953 252 D HN 0.112 8.482 8.370 -0.000 0.000 0.505 253 T N 1.398 116.084 114.554 0.220 0.000 2.853 253 T HA 0.188 4.538 4.350 0.001 0.000 0.298 253 T C 0.730 175.563 174.700 0.221 0.000 0.978 253 T CA 0.055 62.287 62.100 0.220 0.000 1.152 253 T CB 1.185 70.178 68.868 0.209 0.000 0.914 253 T HN -0.079 8.161 8.240 -0.000 0.000 0.539 254 R N 1.768 122.347 120.500 0.132 0.000 2.598 254 R HA 0.540 4.880 4.340 0.001 0.000 0.279 254 R C -0.458 175.877 176.300 0.059 0.000 0.984 254 R CA -0.812 55.298 56.100 0.017 0.000 0.999 254 R CB 1.198 31.432 30.300 -0.109 0.000 1.114 254 R HN 0.374 8.644 8.270 -0.000 0.000 0.493 255 V N 1.984 121.928 119.914 0.050 0.000 2.614 255 V HA -0.032 4.089 4.120 0.001 0.000 0.291 255 V C 0.155 176.286 176.094 0.061 0.000 1.049 255 V CA 0.111 62.472 62.300 0.103 0.000 1.038 255 V CB 1.143 33.024 31.823 0.097 0.000 0.980 255 V HN 0.648 8.838 8.190 -0.000 0.000 0.481 256 D N 3.644 124.096 120.400 0.087 0.000 2.468 256 D HA 0.154 4.794 4.640 0.001 0.000 0.218 256 D C 1.018 177.354 176.300 0.061 0.000 1.155 256 D CA -0.059 53.975 54.000 0.056 0.000 0.924 256 D CB 0.895 41.725 40.800 0.052 0.000 1.029 256 D HN 0.636 9.006 8.370 -0.000 0.000 0.515 257 E N 1.724 121.949 120.200 0.042 0.000 2.150 257 E HA -0.147 4.203 4.350 0.001 0.000 0.193 257 E C 1.302 177.920 176.600 0.030 0.000 0.985 257 E CA 0.908 57.335 56.400 0.045 0.000 0.814 257 E CB 0.414 30.133 29.700 0.031 0.000 0.752 257 E HN 0.578 8.938 8.360 -0.000 0.000 0.466 258 E N 0.544 120.750 120.200 0.011 0.000 2.031 258 E HA -0.206 4.144 4.350 0.001 0.000 0.193 258 E C 2.150 178.722 176.600 -0.046 0.000 0.994 258 E CA 0.847 57.242 56.400 -0.008 0.000 0.800 258 E CB -0.087 29.607 29.700 -0.010 0.000 0.752 258 E HN 0.068 8.428 8.360 -0.000 0.000 0.447 259 R N 0.894 121.352 120.500 -0.071 0.000 2.103 259 R HA -0.162 4.178 4.340 0.001 0.000 0.242 259 R C 2.302 178.455 176.300 -0.245 0.000 1.142 259 R CA 1.210 57.182 56.100 -0.212 0.000 0.960 259 R CB -0.219 29.967 30.300 -0.189 0.000 0.858 259 R HN 0.185 8.455 8.270 -0.000 0.000 0.439 260 L N -0.593 120.628 121.223 -0.003 0.000 2.141 260 L HA -0.058 4.283 4.340 0.001 0.000 0.209 260 L C 2.526 179.479 176.870 0.138 0.000 1.094 260 L CA 1.206 56.145 54.840 0.165 0.000 0.763 260 L CB -0.816 41.367 42.059 0.206 0.000 0.908 260 L HN 0.453 8.683 8.230 -0.000 0.000 0.437 261 G N 0.629 109.468 108.800 0.064 0.000 2.421 261 G HA2 -0.208 3.752 3.960 0.001 0.000 0.216 261 G HA3 -0.208 3.752 3.960 0.001 0.000 0.216 261 G C 1.639 176.582 174.900 0.071 0.000 1.171 261 G CA 0.454 45.595 45.100 0.069 0.000 0.775 261 G HN 0.204 8.494 8.290 -0.000 0.000 0.543 262 L N -0.595 120.620 121.223 -0.012 0.000 2.042 262 L HA -0.061 4.280 4.340 0.001 0.000 0.210 262 L C 2.717 179.639 176.870 0.087 0.000 1.076 262 L CA 0.874 55.694 54.840 -0.034 0.000 0.749 262 L CB -0.575 41.367 42.059 -0.196 0.000 0.893 262 L HN 0.075 8.305 8.230 -0.000 0.000 0.432 263 F N 0.323 120.315 119.950 0.070 0.000 2.250 263 F HA -0.204 4.324 4.527 0.001 0.000 0.301 263 F C 2.702 178.656 175.800 0.257 0.000 1.077 263 F CA 1.110 59.181 58.000 0.118 0.000 1.348 263 F CB -0.816 38.187 39.000 0.006 0.000 1.040 263 F HN 0.019 8.319 8.300 -0.000 0.000 0.509 264 S N -0.631 115.284 115.700 0.358 0.000 2.371 264 S HA -0.081 4.389 4.470 0.001 0.000 0.221 264 S C 1.917 176.653 174.600 0.226 0.000 1.036 264 S CA 0.564 58.921 58.200 0.262 0.000 0.965 264 S CB -0.030 63.280 63.200 0.185 0.000 0.845 264 S HN 0.250 8.560 8.310 -0.000 0.000 0.475 265 K N 0.484 121.008 120.400 0.207 0.000 2.044 265 K HA -0.171 4.150 4.320 0.001 0.000 0.210 265 K C 2.016 178.764 176.600 0.245 0.000 1.049 265 K CA 1.775 58.174 56.287 0.187 0.000 0.927 265 K CB -0.386 32.211 32.500 0.162 0.000 0.713 265 K HN 0.338 8.588 8.250 -0.000 0.000 0.443 266 Y N 1.516 121.932 120.300 0.193 0.000 2.224 266 Y HA -0.212 4.339 4.550 0.001 0.000 0.289 266 Y C 2.308 178.362 175.900 0.256 0.000 1.146 266 Y CA 1.291 59.533 58.100 0.236 0.000 1.182 266 Y CB -0.220 38.401 38.460 0.267 0.000 0.983 266 Y HN -0.041 8.239 8.280 -0.000 0.000 0.524 267 S N -0.068 115.759 115.700 0.212 0.000 2.368 267 S HA -0.223 4.248 4.470 0.001 0.000 0.224 267 S C 1.826 176.446 174.600 0.032 0.000 1.029 267 S CA 1.480 59.712 58.200 0.053 0.000 0.988 267 S CB -0.223 63.060 63.200 0.139 0.000 0.838 267 S HN 0.601 8.911 8.310 -0.000 0.000 0.462 268 Q N 0.745 120.592 119.800 0.079 0.000 2.084 268 Q HA -0.060 4.280 4.340 0.001 0.000 0.202 268 Q C 2.170 178.205 176.000 0.058 0.000 0.978 268 Q CA 1.204 57.049 55.803 0.069 0.000 0.844 268 Q CB -0.444 28.343 28.738 0.082 0.000 0.898 268 Q HN 0.460 8.730 8.270 -0.000 0.000 0.426 269 L N 0.008 121.262 121.223 0.051 0.000 2.051 269 L HA -0.281 4.060 4.340 0.001 0.000 0.214 269 L C 2.476 179.284 176.870 -0.103 0.000 1.076 269 L CA 1.426 56.280 54.840 0.023 0.000 0.758 269 L CB -0.782 41.298 42.059 0.035 0.000 0.890 269 L HN 0.424 8.654 8.230 -0.000 0.000 0.433 270 H N -0.549 118.369 119.070 -0.253 0.000 2.357 270 H HA -0.120 4.437 4.556 0.001 0.000 0.301 270 H C 2.595 177.918 175.328 -0.008 0.000 1.082 270 H CA 1.784 57.743 56.048 -0.148 0.000 1.342 270 H CB 0.106 29.770 29.762 -0.164 0.000 1.389 270 H HN 0.460 8.740 8.280 -0.000 0.000 0.511 271 S N 0.906 116.668 115.700 0.102 0.000 2.383 271 S HA -0.110 4.360 4.470 0.001 0.000 0.227 271 S C 2.107 176.742 174.600 0.059 0.000 1.026 271 S CA 0.608 58.855 58.200 0.078 0.000 0.981 271 S CB -0.207 63.023 63.200 0.051 0.000 0.818 271 S HN 0.287 8.597 8.310 -0.000 0.000 0.472 272 R N -0.383 120.151 120.500 0.057 0.000 2.083 272 R HA -0.039 4.302 4.340 0.001 0.000 0.237 272 R C 2.291 178.625 176.300 0.056 0.000 1.137 272 R CA 1.821 57.957 56.100 0.060 0.000 0.951 272 R CB -0.508 29.843 30.300 0.086 0.000 0.851 272 R HN 0.526 8.796 8.270 -0.000 0.000 0.434 273 Y N -1.224 118.986 120.300 -0.150 0.000 2.243 273 Y HA -0.135 4.415 4.550 0.001 0.000 0.293 273 Y C 0.967 176.680 175.900 -0.311 0.000 1.124 273 Y CA 1.253 59.167 58.100 -0.309 0.000 1.159 273 Y CB 0.342 38.399 38.460 -0.673 0.000 1.008 273 Y HN 0.008 8.288 8.280 -0.000 0.000 0.527 274 Y N -0.721 119.574 120.300 -0.007 0.000 2.500 274 Y HA 0.245 4.795 4.550 0.001 0.000 0.246 274 Y C 0.714 176.588 175.900 -0.043 0.000 1.146 274 Y CA -0.761 57.301 58.100 -0.062 0.000 1.230 274 Y CB 0.168 38.615 38.460 -0.020 0.000 1.214 274 Y HN -0.160 8.120 8.280 -0.000 0.000 0.526 275 K N 0.262 120.721 120.400 0.099 0.000 3.020 275 K HA -0.219 4.101 4.320 0.001 0.000 0.266 275 K C 0.111 176.750 176.600 0.065 0.000 1.067 275 K CA 1.327 57.650 56.287 0.059 0.000 0.780 275 K CB -1.570 30.947 32.500 0.028 0.000 1.220 275 K HN 0.352 8.602 8.250 -0.000 0.000 0.483 276 T N -1.534 113.082 114.554 0.104 0.000 2.787 276 T HA 0.741 5.092 4.350 0.001 0.000 0.297 276 T C -1.226 173.511 174.700 0.061 0.000 1.221 276 T CA -0.907 61.229 62.100 0.060 0.000 1.006 276 T CB 0.977 69.862 68.868 0.029 0.000 1.328 276 T HN 0.095 8.335 8.240 -0.000 0.000 0.509 277 L N 2.032 123.242 121.223 -0.022 0.000 2.334 277 L HA 0.582 4.923 4.340 0.001 0.000 0.270 277 L C -2.052 174.672 176.870 -0.243 0.000 1.018 277 L CA -2.249 52.520 54.840 -0.118 0.000 0.811 277 L CB 1.683 43.660 42.059 -0.136 0.000 1.271 277 L HN 0.517 8.747 8.230 -0.000 0.000 0.443 278 P HA 0.199 4.619 4.420 -0.000 0.000 0.272 278 P C 0.070 177.054 177.300 -0.527 0.000 1.230 278 P CA -0.355 62.345 63.100 -0.668 0.000 0.788 278 P CB 0.605 31.615 31.700 -1.150 0.000 0.949 279 R N 0.718 121.020 120.500 -0.330 0.000 2.081 279 R HA -0.185 4.156 4.340 0.001 0.000 0.235 279 R C 2.166 178.370 176.300 -0.159 0.000 1.131 279 R CA 1.759 57.754 56.100 -0.176 0.000 0.960 279 R CB -1.023 29.240 30.300 -0.062 0.000 0.856 279 R HN 0.651 8.921 8.270 -0.000 0.000 0.436 280 Y N 0.505 120.753 120.300 -0.087 0.000 2.538 280 Y HA -0.118 4.432 4.550 0.001 0.000 0.287 280 Y C 1.015 176.810 175.900 -0.176 0.000 1.157 280 Y CA 0.478 58.493 58.100 -0.142 0.000 1.338 280 Y CB -1.113 37.212 38.460 -0.224 0.000 0.970 280 Y HN 0.045 8.325 8.280 -0.000 0.000 0.564 281 N N 0.903 119.490 118.700 -0.188 0.000 2.521 281 N HA -0.058 4.683 4.740 0.001 0.000 0.188 281 N C 1.048 176.522 175.510 -0.061 0.000 1.146 281 N CA 0.307 53.304 53.050 -0.089 0.000 0.893 281 N CB -0.010 38.390 38.487 -0.145 0.000 0.975 281 N HN 0.575 8.955 8.380 -0.000 0.000 0.451 282 K N 0.575 120.940 120.400 -0.059 0.000 2.365 282 K HA -0.069 4.251 4.320 0.001 0.000 0.199 282 K C 0.243 176.818 176.600 -0.041 0.000 1.045 282 K CA 0.406 56.667 56.287 -0.042 0.000 0.962 282 K CB 0.022 32.502 32.500 -0.034 0.000 0.759 282 K HN 0.066 8.316 8.250 -0.000 0.000 0.469 283 D N 0.817 121.192 120.400 -0.042 0.000 2.336 283 D HA -0.002 4.639 4.640 0.001 0.000 0.249 283 D C 0.894 177.123 176.300 -0.119 0.000 1.213 283 D CA -0.150 53.799 54.000 -0.086 0.000 0.870 283 D CB 1.141 41.905 40.800 -0.060 0.000 1.076 283 D HN 0.060 8.430 8.370 -0.000 0.000 0.483 284 S N 2.228 117.832 115.700 -0.160 0.000 2.399 284 S HA -0.149 4.321 4.470 0.001 0.000 0.231 284 S C 1.899 176.397 174.600 -0.170 0.000 1.022 284 S CA 0.794 58.921 58.200 -0.123 0.000 0.983 284 S CB -0.330 62.832 63.200 -0.063 0.000 0.803 284 S HN 0.356 8.666 8.310 -0.000 0.000 0.480 285 V N 1.798 121.525 119.914 -0.312 0.000 2.358 285 V HA -0.065 4.055 4.120 0.001 0.000 0.246 285 V C 2.439 178.291 176.094 -0.403 0.000 1.047 285 V CA 1.574 63.623 62.300 -0.418 0.000 1.035 285 V CB -0.911 30.523 31.823 -0.648 0.000 0.658 285 V HN 0.476 8.666 8.190 -0.000 0.000 0.452 286 L N 0.138 121.213 121.223 -0.247 0.000 2.012 286 L HA -0.053 4.287 4.340 0.001 0.000 0.210 286 L C 1.450 178.299 176.870 -0.034 0.000 1.073 286 L CA 1.542 56.343 54.840 -0.065 0.000 0.748 286 L CB -0.341 41.728 42.059 0.017 0.000 0.891 286 L HN 0.090 8.320 8.230 -0.000 0.000 0.431 290 S N 0.283 116.021 115.700 0.065 0.000 2.368 290 S HA -0.158 4.312 4.470 0.001 0.000 0.225 290 S C 1.908 176.550 174.600 0.070 0.000 1.030 290 S CA 2.045 60.300 58.200 0.093 0.000 0.999 290 S CB -0.241 63.023 63.200 0.107 0.000 0.844 290 S HN 0.450 8.760 8.310 -0.000 0.000 0.459 291 R N 1.027 121.557 120.500 0.050 0.000 2.083 291 R HA -0.104 4.236 4.340 0.001 0.000 0.237 291 R C 2.442 178.768 176.300 0.043 0.000 1.137 291 R CA 1.500 57.625 56.100 0.042 0.000 0.951 291 R CB -0.629 29.688 30.300 0.028 0.000 0.851 291 R HN 0.401 8.671 8.270 -0.000 0.000 0.434 292 A N 0.249 123.095 122.820 0.043 0.000 1.940 292 A HA -0.130 4.191 4.320 0.001 0.000 0.219 292 A C 2.330 179.943 177.584 0.048 0.000 1.176 292 A CA 1.679 53.743 52.037 0.045 0.000 0.631 292 A CB -0.579 18.450 19.000 0.048 0.000 0.814 292 A HN 0.228 8.378 8.150 -0.000 0.000 0.446 293 V N -0.296 119.652 119.914 0.057 0.000 2.343 293 V HA -0.334 3.787 4.120 0.001 0.000 0.247 293 V C 2.652 178.777 176.094 0.052 0.000 1.051 293 V CA 2.339 64.674 62.300 0.058 0.000 1.036 293 V CB -0.884 30.984 31.823 0.074 0.000 0.654 293 V HN 0.650 8.840 8.190 -0.000 0.000 0.451 294 Q N -0.296 119.536 119.800 0.054 0.000 2.084 294 Q HA -0.194 4.146 4.340 0.001 0.000 0.202 294 Q C 2.194 178.217 176.000 0.039 0.000 0.978 294 Q CA 1.383 57.215 55.803 0.048 0.000 0.844 294 Q CB -0.150 28.618 28.738 0.050 0.000 0.898 294 Q HN 0.589 8.859 8.270 -0.000 0.000 0.426 295 K N -0.301 120.121 120.400 0.037 0.000 2.504 295 K HA 0.060 4.380 4.320 0.001 0.000 0.195 295 K C 0.182 176.801 176.600 0.031 0.000 1.036 295 K CA 0.477 56.783 56.287 0.032 0.000 0.984 295 K CB 0.280 32.798 32.500 0.030 0.000 0.788 295 K HN 0.273 8.523 8.250 -0.000 0.000 0.488 296 G N 1.395 110.215 108.800 0.033 0.000 3.209 296 G HA2 -0.178 3.783 3.960 0.001 0.000 0.686 296 G HA3 -0.178 3.783 3.960 0.001 0.000 0.686 296 G C -0.863 174.056 174.900 0.032 0.000 1.065 296 G CA -1.017 44.102 45.100 0.031 0.000 0.812 296 G HN 0.066 8.356 8.290 -0.000 0.000 0.573 297 L N 2.337 123.577 121.223 0.029 0.000 2.290 297 L HA 0.318 4.659 4.340 0.001 0.000 0.284 297 L C 1.792 178.679 176.870 0.028 0.000 1.078 297 L CA -0.709 54.149 54.840 0.029 0.000 0.815 297 L CB 1.301 43.373 42.059 0.021 0.000 1.162 297 L HN 0.792 9.022 8.230 -0.000 0.000 0.435 298 K N 1.293 121.714 120.400 0.035 0.000 2.148 298 K HA -0.056 4.264 4.320 0.001 0.000 0.204 298 K C 0.556 177.181 176.600 0.041 0.000 1.050 298 K CA 0.879 57.189 56.287 0.039 0.000 0.942 298 K CB 0.064 32.591 32.500 0.046 0.000 0.724 298 K HN 0.706 8.956 8.250 -0.000 0.000 0.446 299 S N -1.601 114.122 115.700 0.039 0.000 2.588 299 S HA 0.258 4.729 4.470 0.001 0.000 0.269 299 S C -2.594 171.982 174.600 -0.040 0.000 1.157 299 S CA -1.263 56.953 58.200 0.027 0.000 0.824 299 S CB 1.806 65.083 63.200 0.128 0.000 1.126 299 S HN -0.231 8.079 8.310 -0.000 0.000 0.464 300 P HA 0.081 4.501 4.420 -0.000 0.000 0.230 300 P C -0.336 176.769 177.300 -0.326 0.000 1.158 300 P CA 0.717 63.642 63.100 -0.291 0.000 0.769 300 P CB -0.349 31.080 31.700 -0.452 0.000 0.807 301 Y N -0.182 120.118 120.300 -0.000 0.000 2.335 301 Y HA 0.126 4.676 4.550 0.001 0.000 0.331 301 Y C 2.129 178.024 175.900 -0.009 0.000 1.094 301 Y CA -0.375 57.711 58.100 -0.024 0.000 1.253 301 Y CB 0.216 38.620 38.460 -0.093 0.000 1.203 301 Y HN -0.267 8.013 8.280 -0.000 0.000 0.508 302 L N 2.597 123.923 121.223 0.170 0.000 2.081 302 L HA -0.287 4.053 4.340 0.001 0.000 0.212 302 L C 2.470 179.385 176.870 0.075 0.000 1.080 302 L CA 1.713 56.629 54.840 0.127 0.000 0.754 302 L CB -0.308 41.851 42.059 0.167 0.000 0.893 302 L HN 0.725 8.955 8.230 -0.000 0.000 0.433 303 R N -0.681 119.840 120.500 0.035 0.000 2.189 303 R HA -0.138 4.203 4.340 0.001 0.000 0.223 303 R C 1.014 177.318 176.300 0.007 0.000 1.092 303 R CA 1.505 57.586 56.100 -0.032 0.000 0.989 303 R CB -0.470 29.692 30.300 -0.229 0.000 0.876 303 R HN 0.324 8.594 8.270 -0.000 0.000 0.457 304 D N 1.144 121.573 120.400 0.047 0.000 2.349 304 D HA 0.119 4.760 4.640 0.001 0.000 0.215 304 D C 0.513 176.847 176.300 0.057 0.000 1.016 304 D CA 0.273 54.307 54.000 0.057 0.000 0.870 304 D CB 0.109 40.960 40.800 0.085 0.000 0.917 304 D HN 0.263 8.633 8.370 -0.000 0.000 0.524 305 I N 2.432 123.036 120.570 0.056 0.000 2.587 305 I HA -0.036 4.135 4.170 0.001 0.000 0.284 305 I C -1.177 174.978 176.117 0.063 0.000 1.134 305 I CA -1.323 60.011 61.300 0.057 0.000 1.410 305 I CB 0.815 38.846 38.000 0.052 0.000 1.392 305 I HN -0.261 7.949 8.210 -0.000 0.000 0.545 306 P HA -0.283 4.137 4.420 -0.000 0.000 0.219 306 P C 1.548 178.923 177.300 0.126 0.000 1.161 306 P CA 1.642 64.791 63.100 0.082 0.000 0.909 306 P CB 0.026 31.770 31.700 0.073 0.000 0.793 307 H N -0.827 118.252 119.070 0.015 0.000 2.489 307 H HA -0.053 4.503 4.556 0.001 0.000 0.293 307 H C 1.433 176.771 175.328 0.016 0.000 1.066 307 H CA 1.070 57.125 56.048 0.012 0.000 1.305 307 H CB -0.665 29.099 29.762 0.003 0.000 1.386 307 H HN -0.079 8.201 8.280 -0.000 0.000 0.551 308 V N -0.324 119.567 119.914 -0.038 0.000 2.436 308 V HA -0.107 4.013 4.120 0.001 0.000 0.240 308 V C 2.430 178.515 176.094 -0.015 0.000 1.040 308 V CA 1.305 63.551 62.300 -0.090 0.000 1.052 308 V CB -0.555 31.242 31.823 -0.043 0.000 0.707 308 V HN 0.283 8.473 8.190 -0.000 0.000 0.469 309 Q N 0.977 120.791 119.800 0.024 0.000 2.156 309 Q HA -0.297 4.044 4.340 0.001 0.000 0.211 309 Q C 2.151 178.177 176.000 0.043 0.000 0.995 309 Q CA 2.216 58.043 55.803 0.040 0.000 0.877 309 Q CB -0.516 28.250 28.738 0.047 0.000 0.920 309 Q HN 0.721 8.991 8.270 -0.000 0.000 0.416 310 Q N -1.741 118.091 119.800 0.053 0.000 2.291 310 Q HA -0.052 4.289 4.340 0.001 0.000 0.205 310 Q C 0.991 177.017 176.000 0.044 0.000 0.970 310 Q CA 1.527 57.365 55.803 0.057 0.000 0.876 310 Q CB 0.263 29.052 28.738 0.086 0.000 0.935 310 Q HN 0.282 8.552 8.270 -0.000 0.000 0.455 311 T N 0.295 114.864 114.554 0.025 0.000 3.092 311 T HA 0.085 4.436 4.350 0.001 0.000 0.258 311 T C 1.235 175.940 174.700 0.009 0.000 1.031 311 T CA -0.303 61.803 62.100 0.009 0.000 0.925 311 T CB 0.233 69.086 68.868 -0.026 0.000 1.036 311 T HN 0.029 8.269 8.240 -0.000 0.000 0.544 312 L N 2.657 123.894 121.223 0.024 0.000 1.991 312 L HA -0.224 4.117 4.340 0.001 0.000 0.221 312 L C 2.669 179.559 176.870 0.035 0.000 1.079 312 L CA 2.389 57.256 54.840 0.044 0.000 0.778 312 L CB -1.189 40.913 42.059 0.071 0.000 0.893 312 L HN 0.334 8.564 8.230 -0.000 0.000 0.437 313 A N -1.198 121.636 122.820 0.022 0.000 1.892 313 A HA -0.213 4.108 4.320 0.001 0.000 0.218 313 A C 2.399 179.983 177.584 -0.000 0.000 1.188 313 A CA 2.387 54.428 52.037 0.007 0.000 0.631 313 A CB -1.200 17.799 19.000 -0.000 0.000 0.822 313 A HN 0.581 8.731 8.150 -0.000 0.000 0.447 314 A N -0.517 122.303 122.820 -0.001 0.000 2.019 314 A HA -0.046 4.274 4.320 0.001 0.000 0.219 314 A C 1.673 179.253 177.584 -0.006 0.000 1.164 314 A CA 1.009 53.041 52.037 -0.009 0.000 0.644 314 A CB -0.239 18.756 19.000 -0.007 0.000 0.805 314 A HN 0.621 8.771 8.150 -0.000 0.000 0.449 318 A N 0.000 122.792 122.820 -0.047 0.000 2.254 318 A HA 0.000 4.320 4.320 0.001 0.000 0.244 318 A CA 0.000 52.007 52.037 -0.050 0.000 0.836 318 A CB 0.000 18.967 19.000 -0.056 0.000 0.831 318 A HN 0.000 8.150 8.150 -0.000 0.000 0.486