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 3kqr_1_E DATA FIRST_RESID 1 DATA SEQUENCE HTDLSGKVFV FPRESVTDHV NLITPLEKPL QNFTLcFRAY SDLSRAYSLF DATA SEQUENCE SYNTQGRDNE LLVYKERVGE YSLYIGRHKV TSKVIEKFPA PVHIcVSWES DATA SEQUENCE SSGIAEFWIN GTPLVKKGLR QGYFVEAQPK IVLGQEQDSY GGKFDRSQSF DATA SEQUENCE VGEIGDLYMW DSVLPPENIL SAYQGTPLPA NILDWQALNY EIRGYVIIKP DATA SEQUENCE LVWV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 H HA 0.000 4.543 4.556 -0.021 0.000 0.296 1 H C 0.000 175.301 175.328 -0.046 0.000 0.993 1 H CA 0.000 56.029 56.048 -0.032 0.000 1.023 1 H CB 0.000 29.744 29.762 -0.030 0.000 1.292 2 T N 3.607 118.164 114.554 0.005 0.000 2.807 2 T HA 0.283 4.634 4.350 0.001 0.000 0.279 2 T C -2.093 172.557 174.700 -0.083 0.000 0.993 2 T CA -1.128 60.969 62.100 -0.005 0.000 0.970 2 T CB 1.680 70.592 68.868 0.074 0.000 0.950 2 T HN -0.368 7.928 8.240 -0.020 -0.069 0.441 3 D N 5.390 125.739 120.400 -0.086 0.000 2.365 3 D HA 0.112 4.692 4.640 -0.147 -0.028 0.237 3 D C -0.600 175.563 176.300 -0.228 0.000 1.190 3 D CA -0.149 53.773 54.000 -0.130 0.000 0.867 3 D CB 0.078 40.846 40.800 -0.053 0.000 1.050 3 D HN 0.350 8.688 8.370 -0.053 0.000 0.491 4 L N 5.635 126.577 121.223 -0.468 0.000 2.685 4 L HA 0.121 4.186 4.340 -0.459 0.000 0.233 4 L C -0.390 176.309 176.870 -0.284 0.000 1.173 4 L CA -1.244 53.203 54.840 -0.655 0.000 0.961 4 L CB -0.449 40.656 42.059 -1.589 0.000 1.217 4 L HN 0.223 8.117 8.230 -0.561 0.000 0.478 5 S N 0.739 116.404 115.700 -0.058 0.000 2.593 5 S HA -0.318 4.318 4.470 0.276 0.000 0.300 5 S C 0.881 175.526 174.600 0.076 0.000 1.267 5 S CA 2.649 60.921 58.200 0.121 0.000 1.065 5 S CB 0.211 63.457 63.200 0.077 0.000 0.807 5 S HN -0.534 7.974 8.310 -0.085 -0.249 0.499 6 G N 3.215 112.078 108.800 0.104 0.000 2.162 6 G HA2 -0.429 3.526 3.960 -0.009 0.000 0.260 6 G HA3 -0.429 3.533 3.960 0.003 0.000 0.260 6 G C -1.026 173.876 174.900 0.004 0.000 0.976 6 G CA 0.594 45.706 45.100 0.022 0.000 0.655 6 G HN 0.687 9.066 8.290 0.148 0.000 0.533 7 K N -1.304 119.140 120.400 0.073 0.000 2.395 7 K HA 0.991 5.433 4.320 -0.017 -0.132 0.247 7 K C -1.465 175.214 176.600 0.131 0.000 0.973 7 K CA -1.648 54.651 56.287 0.020 0.000 0.828 7 K CB 4.654 37.099 32.500 -0.092 0.000 1.272 7 K HN -0.437 7.876 8.250 0.181 0.046 0.439 8 V N -5.285 114.658 119.914 0.048 0.000 3.001 8 V HA 0.706 5.079 4.120 0.242 -0.108 0.314 8 V C -1.510 174.575 176.094 -0.016 0.000 1.099 8 V CA -3.023 59.353 62.300 0.127 0.000 0.989 8 V CB 3.122 35.078 31.823 0.223 0.000 1.040 8 V HN 0.503 8.696 8.190 0.005 0.000 0.434 9 F N 1.185 121.255 119.950 0.199 0.000 2.438 9 F HA 0.131 4.555 4.527 -0.172 0.000 0.356 9 F C -0.140 175.621 175.800 -0.065 0.000 1.099 9 F CA -0.618 57.340 58.000 -0.070 0.000 1.185 9 F CB 0.400 39.304 39.000 -0.160 0.000 1.115 9 F HN -0.176 8.256 8.300 0.220 0.000 0.526 10 V N 2.483 122.379 119.914 -0.030 0.000 2.347 10 V HA 0.269 4.632 4.120 0.146 -0.156 0.280 10 V C -1.011 174.889 176.094 -0.323 0.000 1.021 10 V CA -0.914 61.362 62.300 -0.040 0.000 0.847 10 V CB 1.118 32.921 31.823 -0.033 0.000 0.990 10 V HN 0.705 8.852 8.190 -0.073 0.000 0.444 11 F N 6.819 126.775 119.950 0.009 0.000 2.351 11 F HA 0.611 5.054 4.527 -0.140 0.000 0.362 11 F C -1.587 174.097 175.800 -0.194 0.000 1.131 11 F CA -2.526 55.418 58.000 -0.093 0.000 1.187 11 F CB 0.129 39.134 39.000 0.009 0.000 1.434 11 F HN 0.625 9.145 8.300 0.367 0.000 0.553 12 P HA 0.031 4.362 4.420 -0.149 0.000 0.249 12 P C -1.414 175.840 177.300 -0.077 0.000 1.229 12 P CA 0.333 63.308 63.100 -0.208 0.000 0.788 12 P CB 0.012 31.462 31.700 -0.416 0.000 1.072 13 R N -3.049 117.440 120.500 -0.017 0.000 2.734 13 R HA 0.234 4.577 4.340 0.004 0.000 0.271 13 R C -2.059 174.255 176.300 0.022 0.000 1.021 13 R CA -2.070 54.053 56.100 0.038 0.000 0.893 13 R CB 1.672 32.060 30.300 0.147 0.000 1.244 13 R HN -0.774 7.437 8.270 -0.017 0.049 0.464 14 E N 2.107 122.308 120.200 0.002 0.000 2.338 14 E HA -0.087 4.250 4.350 -0.023 0.000 0.272 14 E C -1.130 175.491 176.600 0.035 0.000 1.029 14 E CA 0.478 56.876 56.400 -0.003 0.000 0.872 14 E CB 0.761 30.452 29.700 -0.016 0.000 1.015 14 E HN 0.222 8.580 8.360 -0.003 0.000 0.417 15 S N 3.795 119.517 115.700 0.037 0.000 2.643 15 S HA 0.067 4.572 4.470 0.058 0.000 0.270 15 S C -0.218 174.413 174.600 0.052 0.000 1.166 15 S CA -1.095 57.141 58.200 0.059 0.000 0.815 15 S CB 2.194 65.449 63.200 0.092 0.000 1.139 15 S HN -0.328 7.995 8.310 0.020 0.000 0.472 16 V N -5.290 114.671 119.914 0.078 0.000 2.992 16 V HA 0.160 4.333 4.120 0.089 0.000 0.250 16 V C -0.476 175.703 176.094 0.141 0.000 1.090 16 V CA 1.331 63.697 62.300 0.109 0.000 1.101 16 V CB 0.456 32.355 31.823 0.127 0.000 0.743 16 V HN 0.226 8.467 8.190 0.084 0.000 0.468 17 T N -7.951 106.693 114.554 0.150 0.000 3.003 17 T HA 0.151 4.687 4.350 0.310 0.000 0.261 17 T C -0.078 174.777 174.700 0.259 0.000 1.003 17 T CA -1.345 60.898 62.100 0.238 0.000 0.917 17 T CB 0.637 69.656 68.868 0.253 0.000 1.084 17 T HN -0.729 7.590 8.240 0.132 0.000 0.522 18 D N 4.388 124.888 120.400 0.166 0.000 2.383 18 D HA 0.203 5.123 4.640 0.160 -0.184 0.252 18 D C -0.591 175.838 176.300 0.216 0.000 1.166 18 D CA 1.523 55.633 54.000 0.183 0.000 0.879 18 D CB -0.034 40.886 40.800 0.200 0.000 1.164 18 D HN -0.450 7.998 8.370 0.130 0.000 0.462 19 H N -1.569 117.524 119.070 0.038 0.000 2.967 19 H HA 0.437 5.190 4.556 0.174 -0.093 0.318 19 H C -2.970 172.367 175.328 0.015 0.000 1.375 19 H CA -1.028 55.029 56.048 0.016 0.000 1.132 19 H CB 2.163 31.752 29.762 -0.288 0.000 1.848 19 H HN 0.535 8.793 8.280 -0.037 0.000 0.524 20 V N -0.728 119.196 119.914 0.016 0.000 2.487 20 V HA 0.498 4.664 4.120 -0.259 -0.201 0.298 20 V C -1.199 174.874 176.094 -0.036 0.000 1.028 20 V CA -1.945 60.243 62.300 -0.187 0.000 0.860 20 V CB 2.838 34.349 31.823 -0.520 0.000 0.991 20 V HN 0.174 8.446 8.190 0.137 0.000 0.427 21 N N 6.580 125.273 118.700 -0.011 0.000 2.472 21 N HA 0.430 5.368 4.740 0.033 -0.178 0.277 21 N C -0.839 174.687 175.510 0.025 0.000 1.081 21 N CA -0.842 52.224 53.050 0.026 0.000 0.973 21 N CB 1.269 39.774 38.487 0.030 0.000 1.105 21 N HN 0.076 8.420 8.380 -0.059 0.000 0.470 22 L N 2.942 124.170 121.223 0.008 0.000 2.296 22 L HA 0.362 5.013 4.340 0.116 -0.242 0.286 22 L C -1.242 175.642 176.870 0.024 0.000 1.023 22 L CA -0.686 54.190 54.840 0.061 0.000 0.812 22 L CB 1.442 43.555 42.059 0.089 0.000 1.223 22 L HN 0.285 8.495 8.230 -0.034 0.000 0.421 23 I N 2.658 123.251 120.570 0.039 0.000 2.354 23 I HA 0.268 4.433 4.170 -0.008 0.000 0.292 23 I C -1.172 174.961 176.117 0.027 0.000 0.989 23 I CA -1.898 59.409 61.300 0.012 0.000 1.188 23 I CB 0.272 38.273 38.000 0.001 0.000 1.342 23 I HN 0.156 8.404 8.210 0.063 0.000 0.457 24 T N 6.032 120.600 114.554 0.024 0.000 2.916 24 T HA 0.414 4.788 4.350 0.040 0.000 0.298 24 T C -1.427 173.297 174.700 0.039 0.000 1.031 24 T CA -4.104 58.022 62.100 0.043 0.000 0.993 24 T CB 2.089 71.002 68.868 0.075 0.000 1.045 24 T HN 0.128 8.374 8.240 0.009 0.000 0.454 25 P HA 0.215 4.660 4.420 0.041 0.000 0.218 25 P C -1.878 175.459 177.300 0.062 0.000 1.793 25 P CA -0.671 62.459 63.100 0.049 0.000 0.941 25 P CB -1.279 30.451 31.700 0.051 0.000 1.919 26 L N 2.036 123.300 121.223 0.069 0.000 2.261 26 L HA 0.168 4.568 4.340 0.101 0.000 0.289 26 L C -0.707 176.216 176.870 0.087 0.000 1.059 26 L CA -0.578 54.319 54.840 0.095 0.000 0.816 26 L CB 0.828 42.966 42.059 0.132 0.000 1.191 26 L HN -0.635 7.573 8.230 0.059 0.058 0.431 27 E N 5.018 125.268 120.200 0.084 0.000 2.413 27 E HA 0.027 4.414 4.350 0.062 0.000 0.203 27 E C -0.771 175.876 176.600 0.078 0.000 0.957 27 E CA 0.611 57.052 56.400 0.070 0.000 0.950 27 E CB 0.688 30.422 29.700 0.055 0.000 0.957 27 E HN 0.196 8.608 8.360 0.087 0.000 0.497 28 K N 0.680 121.141 120.400 0.102 0.000 2.213 28 K HA 0.309 4.683 4.320 0.090 0.000 0.270 28 K C -2.299 174.398 176.600 0.162 0.000 1.002 28 K CA -2.014 54.342 56.287 0.115 0.000 0.868 28 K CB 0.705 33.277 32.500 0.120 0.000 1.093 28 K HN -0.430 7.887 8.250 0.110 0.000 0.454 29 P HA -0.148 4.510 4.420 0.221 -0.105 0.266 29 P C -0.857 176.646 177.300 0.338 0.000 1.193 29 P CA -0.162 63.083 63.100 0.240 0.000 0.770 29 P CB 0.774 32.598 31.700 0.208 0.000 0.836 30 L N 1.658 123.069 121.223 0.314 0.000 2.275 30 L HA 0.213 4.715 4.340 0.270 0.000 0.288 30 L C 0.410 177.415 176.870 0.225 0.000 1.046 30 L CA -0.582 54.433 54.840 0.291 0.000 0.805 30 L CB 0.558 42.798 42.059 0.302 0.000 1.193 30 L HN 0.022 8.424 8.230 0.286 0.000 0.426 31 Q N 2.913 122.735 119.800 0.036 0.000 2.349 31 Q HA -0.104 3.879 4.340 -0.596 0.000 0.209 31 Q C -1.306 174.590 176.000 -0.174 0.000 0.920 31 Q CA 2.045 57.650 55.803 -0.331 0.000 0.901 31 Q CB 1.891 30.351 28.738 -0.462 0.000 1.021 31 Q HN 0.551 8.876 8.270 0.093 0.000 0.519 32 N N -3.434 115.280 118.700 0.022 0.000 2.235 32 N HA 0.923 5.777 4.740 -0.134 -0.194 0.293 32 N C -1.432 174.222 175.510 0.239 0.000 1.083 32 N CA -0.836 52.211 53.050 -0.005 0.000 0.801 32 N CB 3.831 42.273 38.487 -0.074 0.000 1.559 32 N HN -0.639 7.800 8.380 0.099 0.000 0.472 33 F N -2.074 117.964 119.950 0.146 0.000 2.686 33 F HA 0.718 5.509 4.527 0.172 -0.161 0.311 33 F C -2.378 173.511 175.800 0.148 0.000 1.128 33 F CA -1.624 56.477 58.000 0.168 0.000 0.946 33 F CB 3.172 42.277 39.000 0.175 0.000 1.336 33 F HN 0.446 8.612 8.300 -0.224 0.000 0.457 34 T N 1.310 116.095 114.554 0.384 0.000 2.912 34 T HA 0.622 5.230 4.350 0.111 -0.191 0.299 34 T C -2.328 172.742 174.700 0.615 0.000 1.052 34 T CA -0.638 61.653 62.100 0.318 0.000 0.996 34 T CB 3.211 72.149 68.868 0.116 0.000 1.070 34 T HN 0.263 8.831 8.240 0.547 0.000 0.465 35 L N 6.231 127.728 121.223 0.457 0.000 2.409 35 L HA 0.799 5.514 4.340 0.326 -0.179 0.272 35 L C -2.756 174.292 176.870 0.297 0.000 0.980 35 L CA -1.302 53.733 54.840 0.325 0.000 0.826 35 L CB 3.797 45.904 42.059 0.081 0.000 1.268 35 L HN 0.471 8.905 8.230 0.340 0.000 0.407 36 c N 5.411 124.232 118.600 0.367 0.000 2.634 36 c HA 1.094 5.839 4.570 -0.080 -0.223 0.313 36 c C -1.398 172.821 174.090 0.216 0.000 1.198 36 c CA -1.672 54.767 56.329 0.182 0.000 1.605 36 c CB 2.556 45.298 42.510 0.388 0.000 2.196 36 c HN 0.501 8.975 8.230 0.406 0.000 0.486 37 F N -3.215 116.666 119.950 -0.115 0.000 2.807 37 F HA 0.834 5.563 4.527 -0.072 -0.245 0.316 37 F C -2.714 173.028 175.800 -0.096 0.000 1.162 37 F CA -1.593 56.349 58.000 -0.097 0.000 0.910 37 F CB 2.037 40.986 39.000 -0.084 0.000 1.314 37 F HN 0.734 8.546 8.300 -0.814 0.000 0.454 38 R N -2.133 118.500 120.500 0.222 0.000 2.589 38 R HA 0.928 5.587 4.340 0.241 -0.174 0.293 38 R C -1.323 175.324 176.300 0.578 0.000 0.963 38 R CA -1.696 54.620 56.100 0.360 0.000 0.905 38 R CB 3.772 34.338 30.300 0.442 0.000 1.144 38 R HN 0.340 8.737 8.270 0.212 0.000 0.459 39 A N 1.542 124.688 122.820 0.543 0.000 2.539 39 A HA 0.897 5.762 4.320 0.580 -0.197 0.296 39 A C -2.715 175.019 177.584 0.249 0.000 1.073 39 A CA -1.635 50.705 52.037 0.504 0.000 0.700 39 A CB 4.570 23.866 19.000 0.494 0.000 1.296 39 A HN 0.653 9.067 8.150 0.439 0.000 0.405 40 Y N 1.718 121.991 120.300 -0.046 0.000 2.315 40 Y HA 0.378 4.730 4.550 -0.329 0.000 0.324 40 Y C -2.332 173.469 175.900 -0.164 0.000 1.062 40 Y CA -1.517 56.335 58.100 -0.413 0.000 1.159 40 Y CB 3.184 40.837 38.460 -1.345 0.000 1.145 40 Y HN 0.261 8.789 8.280 0.414 0.000 0.442 41 S N 4.998 120.643 115.700 -0.090 0.000 2.546 41 S HA 0.240 4.408 4.470 -0.503 0.000 0.274 41 S C -1.128 173.329 174.600 -0.239 0.000 1.121 41 S CA -2.033 55.965 58.200 -0.336 0.000 0.887 41 S CB 2.475 65.391 63.200 -0.473 0.000 1.094 41 S HN 0.093 8.462 8.310 0.099 0.000 0.474 42 D N 4.001 124.223 120.400 -0.296 0.000 2.501 42 D HA 0.159 4.725 4.640 -0.123 0.000 0.226 42 D C -0.242 176.123 176.300 0.108 0.000 1.198 42 D CA -1.079 52.831 54.000 -0.150 0.000 0.830 42 D CB -0.493 40.126 40.800 -0.302 0.000 1.014 42 D HN 0.206 8.354 8.370 -0.369 0.000 0.496 43 L N 0.846 122.087 121.223 0.030 0.000 2.426 43 L HA -0.102 4.265 4.340 0.045 0.000 0.271 43 L C 0.012 177.021 176.870 0.232 0.000 1.169 43 L CA 0.932 55.818 54.840 0.076 0.000 0.836 43 L CB 0.372 42.376 42.059 -0.091 0.000 1.112 43 L HN -0.707 7.392 8.230 -0.129 0.054 0.465 44 S N 0.098 115.843 115.700 0.075 0.000 2.497 44 S HA 0.030 4.337 4.470 -0.271 0.000 0.218 44 S C 0.292 174.848 174.600 -0.072 0.000 1.023 44 S CA 0.676 58.798 58.200 -0.130 0.000 0.913 44 S CB 0.598 63.666 63.200 -0.220 0.000 0.800 44 S HN 0.312 8.660 8.310 0.064 0.000 0.505 45 R N -0.108 120.397 120.500 0.007 0.000 2.738 45 R HA -0.161 4.161 4.340 -0.030 0.000 0.275 45 R C -0.478 175.834 176.300 0.019 0.000 1.121 45 R CA -0.197 55.907 56.100 0.007 0.000 1.207 45 R CB 0.356 30.673 30.300 0.029 0.000 1.141 45 R HN -0.550 7.738 8.270 0.029 0.000 0.571 46 A N -0.587 122.209 122.820 -0.041 0.000 2.425 46 A HA 0.362 4.697 4.320 -0.377 -0.241 0.242 46 A C -0.880 176.632 177.584 -0.120 0.000 1.077 46 A CA -0.296 51.624 52.037 -0.194 0.000 0.781 46 A CB 1.311 20.274 19.000 -0.062 0.000 1.020 46 A HN 0.263 8.403 8.150 -0.016 0.000 0.494 47 Y N -5.121 114.903 120.300 -0.460 0.000 2.592 47 Y HA 0.218 4.775 4.550 -0.202 -0.128 0.334 47 Y C -2.455 173.145 175.900 -0.500 0.000 1.136 47 Y CA -1.829 56.080 58.100 -0.319 0.000 1.042 47 Y CB 1.718 40.135 38.460 -0.072 0.000 1.325 47 Y HN -0.015 7.645 8.280 -1.032 0.000 0.457 48 S N 0.062 115.806 115.700 0.074 0.000 2.523 48 S HA 0.163 4.752 4.470 0.199 0.000 0.275 48 S C -0.153 174.567 174.600 0.200 0.000 1.281 48 S CA -1.236 57.078 58.200 0.191 0.000 1.050 48 S CB 0.909 64.259 63.200 0.249 0.000 0.937 48 S HN -0.091 8.329 8.310 0.184 0.000 0.492 49 L N 5.339 126.674 121.223 0.187 0.000 2.316 49 L HA 0.198 4.459 4.340 -0.132 0.000 0.207 49 L C -0.485 176.346 176.870 -0.065 0.000 1.070 49 L CA 1.025 55.889 54.840 0.040 0.000 0.820 49 L CB 1.515 43.749 42.059 0.291 0.000 0.992 49 L HN 0.268 8.641 8.230 0.238 0.000 0.466 50 F N -1.963 117.941 119.950 -0.077 0.000 2.689 50 F HA 0.245 4.678 4.527 -0.157 0.000 0.332 50 F C -2.808 173.012 175.800 0.032 0.000 1.209 50 F CA -0.835 57.109 58.000 -0.093 0.000 1.028 50 F CB 3.695 42.630 39.000 -0.108 0.000 1.291 50 F HN -0.795 7.668 8.300 0.272 0.000 0.500 51 S N 8.334 123.867 115.700 -0.278 0.000 2.596 51 S HA 0.336 4.819 4.470 0.021 0.000 0.318 51 S C -2.312 172.177 174.600 -0.185 0.000 1.097 51 S CA -1.360 56.769 58.200 -0.117 0.000 1.080 51 S CB 1.433 64.592 63.200 -0.068 0.000 0.991 51 S HN 0.166 8.185 8.310 -0.485 0.000 0.471 52 Y N 8.963 129.164 120.300 -0.165 0.000 2.332 52 Y HA 0.645 5.281 4.550 -0.174 -0.190 0.326 52 Y C -2.841 173.051 175.900 -0.013 0.000 0.978 52 Y CA -1.940 56.090 58.100 -0.116 0.000 1.205 52 Y CB 3.196 41.642 38.460 -0.023 0.000 1.131 52 Y HN 0.472 8.853 8.280 0.168 0.000 0.462 53 N N 8.262 127.024 118.700 0.102 0.000 2.362 53 N HA 0.657 5.518 4.740 0.203 0.000 0.299 53 N C -1.266 174.352 175.510 0.181 0.000 1.170 53 N CA -1.343 51.800 53.050 0.155 0.000 0.825 53 N CB 4.569 43.124 38.487 0.113 0.000 1.299 53 N HN -0.114 8.246 8.380 -0.033 0.000 0.502 54 T N -4.630 110.043 114.554 0.198 0.000 2.888 54 T HA 0.425 4.924 4.350 0.248 0.000 0.288 54 T C -1.252 173.369 174.700 -0.132 0.000 1.063 54 T CA -2.440 59.722 62.100 0.104 0.000 1.010 54 T CB 2.692 71.599 68.868 0.064 0.000 1.214 54 T HN 0.040 8.380 8.240 0.168 0.000 0.533 55 Q N 2.152 121.597 119.800 -0.592 0.000 2.255 55 Q HA -0.242 3.684 4.340 -0.689 0.000 0.280 55 Q C 1.249 177.115 176.000 -0.223 0.000 1.068 55 Q CA 1.451 56.885 55.803 -0.615 0.000 0.911 55 Q CB -0.408 27.929 28.738 -0.668 0.000 1.157 55 Q HN 0.522 8.405 8.270 -0.645 0.000 0.380 56 G N 5.518 114.243 108.800 -0.125 0.000 2.184 56 G HA2 -0.300 3.637 3.960 -0.038 0.000 0.264 56 G HA3 -0.300 3.627 3.960 -0.055 0.000 0.264 56 G C -0.560 174.335 174.900 -0.008 0.000 0.975 56 G CA 0.250 45.319 45.100 -0.051 0.000 0.642 56 G HN 0.352 8.573 8.290 -0.114 0.000 0.536 57 R N 0.510 121.017 120.500 0.012 0.000 2.468 57 R HA 0.227 4.595 4.340 0.046 0.000 0.302 57 R C -2.127 174.214 176.300 0.067 0.000 1.041 57 R CA -1.342 54.789 56.100 0.051 0.000 0.899 57 R CB 1.577 31.927 30.300 0.083 0.000 1.167 57 R HN -0.359 7.866 8.270 0.003 0.046 0.483 58 D N 2.704 123.131 120.400 0.045 0.000 2.304 58 D HA -0.099 4.562 4.640 0.035 0.000 0.247 58 D C -0.206 176.109 176.300 0.025 0.000 1.089 58 D CA 0.472 54.488 54.000 0.027 0.000 0.910 58 D CB 1.401 42.198 40.800 -0.004 0.000 1.199 58 D HN 0.367 8.758 8.370 0.036 0.000 0.426 59 N N 0.451 119.149 118.700 -0.003 0.000 2.740 59 N HA -0.429 4.275 4.740 -0.060 0.000 0.248 59 N C 0.289 175.834 175.510 0.059 0.000 1.062 59 N CA 1.244 54.270 53.050 -0.038 0.000 0.704 59 N CB -1.728 36.653 38.487 -0.177 0.000 0.968 59 N HN 0.031 8.623 8.380 -0.005 -0.215 0.547 60 E N 0.613 120.884 120.200 0.119 0.000 2.072 60 E HA -0.221 4.202 4.350 0.121 0.000 0.191 60 E C -0.913 175.719 176.600 0.053 0.000 0.985 60 E CA 2.298 58.788 56.400 0.149 0.000 0.801 60 E CB 1.038 30.907 29.700 0.282 0.000 0.750 60 E HN -0.256 8.189 8.360 0.143 0.000 0.452 61 L N -2.573 118.675 121.223 0.043 0.000 2.541 61 L HA 0.703 5.248 4.340 -0.058 -0.241 0.266 61 L C -2.955 173.989 176.870 0.124 0.000 0.966 61 L CA -1.085 53.705 54.840 -0.083 0.000 0.871 61 L CB 2.830 44.541 42.059 -0.580 0.000 1.232 61 L HN -0.391 7.933 8.230 0.158 0.000 0.408 62 L N 6.667 128.010 121.223 0.201 0.000 2.436 62 L HA 0.856 5.548 4.340 0.277 -0.186 0.268 62 L C -2.538 174.579 176.870 0.412 0.000 0.974 62 L CA -1.266 53.726 54.840 0.254 0.000 0.826 62 L CB 4.630 46.700 42.059 0.018 0.000 1.291 62 L HN 0.113 8.478 8.230 0.224 0.000 0.406 63 V N 7.388 127.580 119.914 0.463 0.000 2.384 63 V HA 0.595 5.263 4.120 0.597 -0.190 0.287 63 V C -2.012 174.393 176.094 0.520 0.000 1.020 63 V CA -1.304 61.323 62.300 0.545 0.000 0.850 63 V CB 1.265 33.430 31.823 0.571 0.000 0.987 63 V HN 0.515 8.983 8.190 0.464 0.000 0.436 64 Y N 9.377 129.883 120.300 0.343 0.000 2.477 64 Y HA 0.375 5.015 4.550 0.150 0.000 0.347 64 Y C -3.015 172.915 175.900 0.049 0.000 0.981 64 Y CA -1.620 56.592 58.100 0.188 0.000 1.033 64 Y CB 5.265 43.857 38.460 0.221 0.000 1.245 64 Y HN 0.628 9.270 8.280 0.603 0.000 0.455 65 K N 5.642 125.714 120.400 -0.547 0.000 2.334 65 K HA 0.532 4.659 4.320 -0.557 -0.142 0.265 65 K C 0.203 176.365 176.600 -0.731 0.000 1.039 65 K CA -2.393 53.472 56.287 -0.704 0.000 0.920 65 K CB 1.202 33.085 32.500 -1.029 0.000 1.160 65 K HN 0.420 8.151 8.250 -0.866 0.000 0.451 66 E N 7.238 127.223 120.200 -0.359 0.000 2.072 66 E HA -0.163 4.184 4.350 -0.005 0.000 0.191 66 E C -0.162 176.302 176.600 -0.225 0.000 0.985 66 E CA 2.618 58.927 56.400 -0.152 0.000 0.801 66 E CB 0.682 30.347 29.700 -0.059 0.000 0.750 66 E HN -0.128 8.047 8.360 -0.309 0.000 0.452 67 R N -10.440 109.875 120.500 -0.309 0.000 2.829 67 R HA 0.180 4.357 4.340 -0.272 0.000 0.284 67 R C -2.324 173.790 176.300 -0.311 0.000 1.006 67 R CA -1.383 54.554 56.100 -0.272 0.000 0.844 67 R CB 1.505 31.694 30.300 -0.185 0.000 1.309 67 R HN -0.947 7.097 8.270 -0.378 0.000 0.494 68 V N 2.565 122.315 119.914 -0.274 0.000 2.644 68 V HA -0.414 3.579 4.120 -0.210 0.000 0.305 68 V C 0.498 176.478 176.094 -0.189 0.000 1.053 68 V CA 1.668 63.833 62.300 -0.226 0.000 1.186 68 V CB 0.225 31.907 31.823 -0.235 0.000 0.895 68 V HN 0.445 8.466 8.190 -0.282 0.000 0.490 69 G N 7.362 116.062 108.800 -0.168 0.000 2.159 69 G HA2 -0.334 3.694 3.960 -0.005 0.000 0.256 69 G HA3 -0.334 3.586 3.960 -0.067 0.000 0.256 69 G C -1.482 173.324 174.900 -0.157 0.000 0.977 69 G CA 0.506 45.550 45.100 -0.095 0.000 0.652 69 G HN 0.469 8.977 8.290 -0.165 -0.317 0.531 70 E N -0.250 119.732 120.200 -0.363 0.000 2.265 70 E HA 0.607 5.004 4.350 -0.188 -0.160 0.262 70 E C -1.894 174.368 176.600 -0.562 0.000 0.889 70 E CA -1.437 54.772 56.400 -0.318 0.000 0.789 70 E CB 3.309 32.883 29.700 -0.209 0.000 1.221 70 E HN -0.708 7.319 8.360 -0.491 0.038 0.414 71 Y N 4.271 124.374 120.300 -0.329 0.000 2.364 71 Y HA 0.332 4.698 4.550 -0.306 0.000 0.340 71 Y C -1.015 174.665 175.900 -0.367 0.000 0.975 71 Y CA -1.098 56.708 58.100 -0.491 0.000 1.089 71 Y CB 3.091 40.898 38.460 -1.090 0.000 1.192 71 Y HN 0.509 8.690 8.280 -0.165 0.000 0.454 72 S N 1.322 117.089 115.700 0.111 0.000 2.532 72 S HA 0.825 5.616 4.470 0.240 -0.177 0.301 72 S C -1.967 172.982 174.600 0.581 0.000 1.083 72 S CA -1.411 56.964 58.200 0.292 0.000 1.025 72 S CB 2.763 66.106 63.200 0.238 0.000 1.056 72 S HN 0.639 9.052 8.310 0.172 0.000 0.494 73 L N 3.843 125.357 121.223 0.486 0.000 2.362 73 L HA 0.825 5.654 4.340 0.486 -0.197 0.275 73 L C -2.321 174.644 176.870 0.160 0.000 0.998 73 L CA -1.481 53.589 54.840 0.384 0.000 0.820 73 L CB 3.729 45.916 42.059 0.214 0.000 1.270 73 L HN 0.155 8.611 8.230 0.377 0.000 0.415 74 Y N 4.960 125.323 120.300 0.105 0.000 2.341 74 Y HA 0.884 5.682 4.550 0.015 -0.239 0.337 74 Y C -0.306 175.547 175.900 -0.079 0.000 1.014 74 Y CA -2.043 56.068 58.100 0.018 0.000 1.111 74 Y CB 2.528 41.000 38.460 0.021 0.000 1.194 74 Y HN 0.535 9.147 8.280 0.553 0.000 0.462 75 I N 2.078 122.612 120.570 -0.058 0.000 2.439 75 I HA 0.351 4.571 4.170 -0.217 -0.180 0.285 75 I C 0.334 176.268 176.117 -0.306 0.000 1.021 75 I CA -2.066 59.070 61.300 -0.273 0.000 1.091 75 I CB 1.219 38.819 38.000 -0.667 0.000 1.242 75 I HN 0.186 8.357 8.210 -0.064 0.000 0.439 76 G N 8.115 116.798 108.800 -0.196 0.000 2.356 76 G HA2 -0.466 3.636 3.960 -0.057 0.000 0.296 76 G HA3 -0.466 3.112 3.960 -0.636 0.000 0.296 76 G C 0.125 174.936 174.900 -0.149 0.000 1.022 76 G CA 1.176 46.117 45.100 -0.264 0.000 0.961 76 G HN 0.831 8.969 8.290 -0.069 0.111 0.510 77 R N -6.812 113.718 120.500 0.052 0.000 3.606 77 R HA -0.582 3.892 4.340 0.223 0.000 0.439 77 R C -0.595 175.889 176.300 0.305 0.000 0.585 77 R CA 2.345 58.562 56.100 0.194 0.000 1.521 77 R CB -1.558 28.836 30.300 0.157 0.000 2.112 77 R HN -0.005 8.310 8.270 0.076 0.000 0.375 78 H N 0.859 119.912 119.070 -0.028 0.000 2.551 78 H HA 0.045 4.560 4.556 -0.069 0.000 0.358 78 H C -1.107 174.115 175.328 -0.178 0.000 1.151 78 H CA -0.355 55.640 56.048 -0.087 0.000 1.374 78 H CB 1.222 30.911 29.762 -0.121 0.000 1.473 78 H HN -0.491 7.775 8.280 0.119 0.085 0.574 79 K N -0.495 119.796 120.400 -0.182 0.000 2.435 79 K HA 0.770 5.034 4.320 -0.408 -0.189 0.251 79 K C -1.661 174.815 176.600 -0.207 0.000 0.954 79 K CA -1.845 54.180 56.287 -0.436 0.000 0.820 79 K CB 3.700 35.537 32.500 -1.104 0.000 1.292 79 K HN -0.077 8.083 8.250 -0.150 0.000 0.436 80 V N -3.918 115.916 119.914 -0.134 0.000 3.001 80 V HA 0.522 4.619 4.120 -0.038 0.000 0.314 80 V C -2.299 173.816 176.094 0.035 0.000 1.099 80 V CA -1.791 60.499 62.300 -0.017 0.000 0.989 80 V CB 3.518 35.380 31.823 0.066 0.000 1.040 80 V HN 0.603 8.714 8.190 -0.132 0.000 0.434 81 T N 4.510 119.089 114.554 0.042 0.000 2.916 81 T HA 0.676 5.269 4.350 0.072 -0.200 0.298 81 T C -1.229 173.494 174.700 0.037 0.000 1.031 81 T CA -0.885 61.239 62.100 0.040 0.000 0.993 81 T CB 2.240 71.100 68.868 -0.013 0.000 1.045 81 T HN -0.013 8.242 8.240 0.026 0.000 0.454 82 S N 3.781 119.487 115.700 0.009 0.000 2.570 82 S HA 0.417 4.888 4.470 0.001 0.000 0.286 82 S C -1.682 172.892 174.600 -0.042 0.000 1.099 82 S CA -1.306 56.892 58.200 -0.004 0.000 0.913 82 S CB 2.482 65.714 63.200 0.052 0.000 1.085 82 S HN 0.365 8.651 8.310 -0.041 0.000 0.480 83 K N 1.961 122.344 120.400 -0.029 0.000 2.156 83 K HA 0.867 5.376 4.320 -0.026 -0.205 0.250 83 K C -1.096 175.499 176.600 -0.009 0.000 0.955 83 K CA -1.587 54.686 56.287 -0.023 0.000 0.855 83 K CB 2.237 34.718 32.500 -0.031 0.000 1.101 83 K HN 0.142 8.376 8.250 -0.026 0.000 0.434 84 V N 0.479 120.403 119.914 0.015 0.000 3.120 84 V HA 0.263 4.378 4.120 -0.008 0.000 0.303 84 V C -2.380 173.729 176.094 0.025 0.000 1.238 84 V CA -2.337 59.974 62.300 0.018 0.000 1.008 84 V CB 4.119 35.965 31.823 0.037 0.000 1.064 84 V HN -0.002 8.199 8.190 0.018 0.000 0.434 85 I N 4.255 124.834 120.570 0.015 0.000 2.452 85 I HA 0.004 4.187 4.170 0.021 0.000 0.287 85 I C -0.692 175.452 176.117 0.046 0.000 1.079 85 I CA 0.825 62.139 61.300 0.023 0.000 1.387 85 I CB 0.106 38.114 38.000 0.013 0.000 1.404 85 I HN 0.131 8.343 8.210 0.003 0.000 0.522 86 E N 4.777 125.015 120.200 0.064 0.000 2.408 86 E HA 0.191 4.591 4.350 0.083 0.000 0.275 86 E C -1.568 175.094 176.600 0.103 0.000 0.935 86 E CA -1.344 55.111 56.400 0.092 0.000 0.775 86 E CB 3.526 33.306 29.700 0.135 0.000 1.277 86 E HN 0.183 8.577 8.360 0.057 0.000 0.455 87 K N 1.069 121.535 120.400 0.111 0.000 2.098 87 K HA 0.119 4.513 4.320 0.122 0.000 0.257 87 K C -1.539 175.181 176.600 0.201 0.000 0.999 87 K CA -0.074 56.288 56.287 0.124 0.000 0.924 87 K CB 1.088 33.636 32.500 0.079 0.000 1.028 87 K HN 0.278 8.588 8.250 0.102 0.000 0.466 88 F N 0.648 120.624 119.950 0.044 0.000 2.573 88 F HA 0.386 4.953 4.527 0.067 0.000 0.316 88 F C -2.126 173.701 175.800 0.045 0.000 1.148 88 F CA -3.167 54.863 58.000 0.049 0.000 0.940 88 F CB 2.215 41.234 39.000 0.032 0.000 1.214 88 F HN -0.134 8.297 8.300 0.218 0.000 0.448 89 P HA 0.199 4.145 4.420 -0.789 0.000 0.276 89 P C -2.299 174.928 177.300 -0.122 0.000 1.244 89 P CA -0.568 62.102 63.100 -0.717 0.000 0.801 89 P CB 1.053 32.357 31.700 -0.660 0.000 1.006 90 A N 0.374 123.228 122.820 0.057 0.000 2.577 90 A HA 0.212 4.515 4.320 -0.029 0.000 0.297 90 A C -2.790 174.784 177.584 -0.016 0.000 1.060 90 A CA -1.488 50.565 52.037 0.026 0.000 0.697 90 A CB 0.922 19.945 19.000 0.037 0.000 1.281 90 A HN -0.255 7.961 8.150 0.109 0.000 0.402 91 P HA -0.013 4.295 4.420 -0.439 -0.151 0.267 91 P C -1.316 175.999 177.300 0.026 0.000 1.200 91 P CA -0.118 62.762 63.100 -0.366 0.000 0.772 91 P CB 0.499 31.948 31.700 -0.419 0.000 0.855 92 V N -0.575 119.427 119.914 0.147 0.000 2.925 92 V HA 0.329 4.701 4.120 0.183 -0.143 0.311 92 V C -2.202 174.040 176.094 0.246 0.000 1.104 92 V CA -2.573 59.843 62.300 0.194 0.000 0.954 92 V CB 3.576 35.514 31.823 0.192 0.000 1.022 92 V HN 0.135 8.417 8.190 0.154 0.000 0.427 93 H N 7.757 126.891 119.070 0.106 0.000 2.481 93 H HA 0.507 5.237 4.556 0.065 -0.135 0.333 93 H C -1.712 173.538 175.328 -0.129 0.000 1.066 93 H CA -1.722 54.359 56.048 0.054 0.000 1.209 93 H CB 2.389 32.285 29.762 0.224 0.000 1.445 93 H HN 0.128 8.850 8.280 0.234 -0.302 0.488 94 I N 7.330 127.437 120.570 -0.772 0.000 2.436 94 I HA 0.383 4.447 4.170 -0.417 -0.144 0.289 94 I C -2.008 173.716 176.117 -0.654 0.000 1.010 94 I CA -1.181 59.727 61.300 -0.654 0.000 1.098 94 I CB 3.186 40.717 38.000 -0.781 0.000 1.266 94 I HN 0.608 8.208 8.210 -1.017 0.000 0.434 95 c N 6.987 125.452 118.600 -0.224 0.000 2.563 95 c HA 1.026 5.745 4.570 -0.106 -0.213 0.314 95 c C -1.786 172.321 174.090 0.028 0.000 1.199 95 c CA -1.710 54.577 56.329 -0.071 0.000 1.564 95 c CB 2.868 45.376 42.510 -0.004 0.000 2.173 95 c HN 0.551 8.732 8.230 -0.081 0.000 0.485 96 V N 3.997 123.895 119.914 -0.025 0.000 2.760 96 V HA 1.031 5.260 4.120 -0.228 -0.246 0.309 96 V C -2.859 173.161 176.094 -0.123 0.000 1.077 96 V CA -2.658 59.518 62.300 -0.207 0.000 0.910 96 V CB 3.610 35.098 31.823 -0.559 0.000 1.008 96 V HN 0.757 8.963 8.190 0.026 0.000 0.424 97 S N 6.753 122.334 115.700 -0.199 0.000 2.600 97 S HA 0.894 5.231 4.470 -0.480 -0.155 0.300 97 S C -1.976 172.404 174.600 -0.368 0.000 1.087 97 S CA -1.975 56.026 58.200 -0.333 0.000 0.965 97 S CB 3.016 66.091 63.200 -0.209 0.000 1.089 97 S HN 0.255 8.466 8.310 -0.166 0.000 0.496 98 W N 1.879 122.661 121.300 -0.864 0.000 3.138 98 W HA 0.602 5.267 4.660 -0.371 -0.228 0.331 98 W C -2.680 173.596 176.519 -0.405 0.000 1.166 98 W CA -0.554 56.449 57.345 -0.569 0.000 1.212 98 W CB 4.571 33.712 29.460 -0.531 0.000 1.399 98 W HN 0.515 8.176 8.180 -0.864 0.000 0.514 99 E N 7.681 127.217 120.200 -1.106 0.000 2.182 99 E HA 0.459 4.481 4.350 -0.771 -0.135 0.258 99 E C -0.669 175.084 176.600 -1.411 0.000 0.879 99 E CA -2.005 53.817 56.400 -0.962 0.000 0.754 99 E CB 2.942 32.322 29.700 -0.533 0.000 1.162 99 E HN -0.109 7.527 8.360 -1.207 0.000 0.419 100 S N 8.566 123.399 115.700 -1.445 0.000 2.370 100 S HA -0.345 3.356 4.470 -1.281 0.000 0.226 100 S C 1.751 176.051 174.600 -0.500 0.000 1.033 100 S CA 3.758 61.327 58.200 -1.052 0.000 1.011 100 S CB -0.058 62.719 63.200 -0.705 0.000 0.852 100 S HN 0.568 8.145 8.310 -1.220 0.000 0.457 101 S N 0.082 115.541 115.700 -0.402 0.000 2.399 101 S HA -0.252 4.121 4.470 -0.161 0.000 0.231 101 S C 1.185 175.681 174.600 -0.172 0.000 1.022 101 S CA 2.841 60.910 58.200 -0.218 0.000 0.983 101 S CB -0.104 62.990 63.200 -0.177 0.000 0.803 101 S HN 0.468 8.515 8.310 -0.439 0.000 0.480 102 S N -0.571 114.994 115.700 -0.226 0.000 2.502 102 S HA 0.154 4.562 4.470 -0.102 0.000 0.215 102 S C 1.172 175.695 174.600 -0.129 0.000 1.009 102 S CA -0.124 57.985 58.200 -0.153 0.000 0.908 102 S CB 1.488 64.598 63.200 -0.151 0.000 0.801 102 S HN -0.748 7.378 8.310 -0.307 0.000 0.505 103 G N 2.399 111.065 108.800 -0.224 0.000 2.184 103 G HA2 -0.344 3.684 3.960 -0.032 0.000 0.264 103 G HA3 -0.344 3.665 3.960 0.081 0.000 0.264 103 G C -0.517 174.362 174.900 -0.035 0.000 0.975 103 G CA 0.603 45.668 45.100 -0.059 0.000 0.642 103 G HN -0.089 7.871 8.290 -0.374 0.105 0.536 104 I N 2.680 123.147 120.570 -0.172 0.000 2.533 104 I HA 0.046 4.402 4.170 0.007 -0.183 0.284 104 I C -1.039 175.060 176.117 -0.030 0.000 1.109 104 I CA -1.259 59.999 61.300 -0.070 0.000 1.412 104 I CB -1.221 36.723 38.000 -0.094 0.000 1.396 104 I HN -0.646 7.364 8.210 -0.247 0.052 0.543 105 A N 8.160 131.038 122.820 0.096 0.000 2.288 105 A HA 0.771 5.357 4.320 0.068 -0.225 0.320 105 A C -1.532 176.048 177.584 -0.007 0.000 1.217 105 A CA -2.321 49.765 52.037 0.081 0.000 0.840 105 A CB 2.826 21.904 19.000 0.129 0.000 1.179 105 A HN 0.747 8.959 8.150 0.103 0.000 0.504 106 E N 3.778 123.944 120.200 -0.057 0.000 2.145 106 E HA 0.422 4.755 4.350 -0.028 0.000 0.262 106 E C -1.591 174.993 176.600 -0.027 0.000 0.883 106 E CA -1.797 54.598 56.400 -0.008 0.000 0.748 106 E CB 2.791 32.590 29.700 0.165 0.000 1.140 106 E HN -0.045 8.263 8.360 -0.088 0.000 0.417 107 F N 4.306 124.242 119.950 -0.024 0.000 2.384 107 F HA 0.355 5.103 4.527 0.063 -0.184 0.338 107 F C -0.315 175.384 175.800 -0.168 0.000 1.103 107 F CA -0.064 57.917 58.000 -0.032 0.000 1.157 107 F CB 2.186 41.131 39.000 -0.091 0.000 1.167 107 F HN 0.457 8.849 8.300 0.154 0.000 0.529 108 W N 2.156 123.478 121.300 0.037 0.000 2.715 108 W HA 0.483 5.304 4.660 -0.055 -0.194 0.331 108 W C -1.450 174.985 176.519 -0.140 0.000 1.031 108 W CA -1.305 56.005 57.345 -0.059 0.000 1.237 108 W CB 2.798 32.215 29.460 -0.071 0.000 1.378 108 W HN 0.813 9.236 8.180 0.405 0.000 0.454 109 I N 3.413 123.968 120.570 -0.025 0.000 2.382 109 I HA 0.595 4.823 4.170 -0.185 -0.169 0.286 109 I C -0.356 175.663 176.117 -0.163 0.000 1.002 109 I CA -3.073 58.136 61.300 -0.152 0.000 1.135 109 I CB 0.260 38.124 38.000 -0.227 0.000 1.288 109 I HN 0.641 8.824 8.210 -0.046 0.000 0.448 110 N N 6.093 124.644 118.700 -0.249 0.000 2.716 110 N HA -0.384 3.742 4.740 -1.023 0.000 0.250 110 N C 0.145 175.088 175.510 -0.946 0.000 1.033 110 N CA 1.548 54.198 53.050 -0.667 0.000 0.727 110 N CB -1.566 36.791 38.487 -0.217 0.000 0.950 110 N HN 0.964 9.248 8.380 -0.159 0.000 0.541 111 G N -7.663 100.739 108.800 -0.664 0.000 2.162 111 G HA2 -0.384 3.557 3.960 -0.032 0.000 0.260 111 G HA3 -0.384 3.392 3.960 -0.308 0.000 0.260 111 G C -0.753 174.240 174.900 0.154 0.000 0.976 111 G CA 0.395 45.366 45.100 -0.214 0.000 0.655 111 G HN 0.434 8.460 8.290 -0.421 0.011 0.533 112 T N -0.935 113.649 114.554 0.050 0.000 2.797 112 T HA 0.424 4.800 4.350 0.044 0.000 0.279 112 T C -2.659 171.906 174.700 -0.225 0.000 0.991 112 T CA -3.583 58.509 62.100 -0.014 0.000 0.979 112 T CB 1.233 70.063 68.868 -0.063 0.000 0.943 112 T HN -0.432 7.615 8.240 -0.046 0.166 0.444 113 P HA 0.148 3.785 4.420 -1.525 -0.132 0.282 113 P C -0.791 176.178 177.300 -0.553 0.000 1.262 113 P CA -0.603 61.820 63.100 -1.128 0.000 0.773 113 P CB 0.714 31.523 31.700 -1.485 0.000 0.879 114 L N 4.378 125.344 121.223 -0.428 0.000 2.479 114 L HA 0.204 4.434 4.340 -0.184 0.000 0.248 114 L C 0.225 176.979 176.870 -0.193 0.000 1.205 114 L CA -0.410 54.303 54.840 -0.213 0.000 0.817 114 L CB 0.720 42.725 42.059 -0.091 0.000 1.162 114 L HN -0.109 7.844 8.230 -0.460 0.000 0.486 115 V N 0.289 120.139 119.914 -0.107 0.000 2.540 115 V HA -0.167 3.892 4.120 -0.102 0.000 0.297 115 V C 0.081 176.146 176.094 -0.048 0.000 1.024 115 V CA 0.875 63.127 62.300 -0.080 0.000 1.105 115 V CB 0.247 32.041 31.823 -0.047 0.000 0.938 115 V HN 0.365 8.504 8.190 -0.085 0.000 0.482 116 K N 6.684 127.049 120.400 -0.059 0.000 2.436 116 K HA -0.039 4.410 4.320 -0.017 -0.138 0.275 116 K C -0.442 176.164 176.600 0.010 0.000 0.999 116 K CA 1.156 57.428 56.287 -0.025 0.000 0.980 116 K CB 0.700 33.178 32.500 -0.037 0.000 0.919 116 K HN 0.253 8.456 8.250 -0.077 0.000 0.484 117 K N 0.137 120.562 120.400 0.043 0.000 2.409 117 K HA 0.393 4.735 4.320 0.037 0.000 0.252 117 K C -1.328 175.315 176.600 0.071 0.000 1.036 117 K CA -1.967 54.353 56.287 0.054 0.000 0.871 117 K CB 3.821 36.366 32.500 0.076 0.000 1.374 117 K HN -0.004 8.278 8.250 0.055 0.000 0.459 118 G N -1.429 107.418 108.800 0.079 0.000 2.667 118 G HA2 0.826 5.076 3.960 0.145 0.000 0.298 118 G HA3 0.826 4.836 3.960 0.083 0.000 0.298 118 G C -1.980 173.004 174.900 0.140 0.000 1.377 118 G CA -0.362 44.805 45.100 0.112 0.000 0.964 118 G HN -0.057 8.274 8.290 0.067 0.000 0.493 119 L N -2.441 118.920 121.223 0.230 0.000 2.653 119 L HA 0.486 4.936 4.340 0.183 0.000 0.257 119 L C -1.081 175.993 176.870 0.340 0.000 0.969 119 L CA -0.583 54.392 54.840 0.225 0.000 0.869 119 L CB 3.470 45.617 42.059 0.147 0.000 1.439 119 L HN 0.326 8.746 8.230 0.316 0.000 0.414 120 R N -3.401 117.233 120.500 0.223 0.000 3.525 120 R HA -0.491 3.900 4.340 0.085 0.000 0.276 120 R C -0.553 175.996 176.300 0.416 0.000 1.116 120 R CA 0.747 56.975 56.100 0.214 0.000 0.745 120 R CB -2.058 28.249 30.300 0.012 0.000 1.185 120 R HN 0.636 9.024 8.270 0.197 0.000 0.454 121 Q N -0.060 119.899 119.800 0.264 0.000 2.263 121 Q HA -0.281 4.286 4.340 0.114 -0.158 0.289 121 Q C 1.516 177.626 176.000 0.183 0.000 1.061 121 Q CA 1.357 57.258 55.803 0.163 0.000 0.927 121 Q CB 0.167 28.955 28.738 0.085 0.000 1.154 121 Q HN -0.276 8.109 8.270 0.215 0.014 0.378 122 G N 6.140 115.021 108.800 0.135 0.000 2.217 122 G HA2 -0.467 3.558 3.960 0.109 0.000 0.246 122 G HA3 -0.467 3.600 3.960 0.178 0.000 0.246 122 G C -1.235 173.854 174.900 0.315 0.000 0.990 122 G CA -0.225 44.979 45.100 0.172 0.000 0.627 122 G HN 0.572 8.772 8.290 0.043 0.116 0.522 123 Y N 1.103 121.563 120.300 0.267 0.000 2.314 123 Y HA -0.078 4.674 4.550 0.337 0.000 0.334 123 Y C -1.821 174.335 175.900 0.428 0.000 1.266 123 Y CA 0.532 58.841 58.100 0.348 0.000 1.391 123 Y CB 1.496 40.116 38.460 0.266 0.000 1.306 123 Y HN -0.548 7.989 8.280 0.540 0.067 0.558 124 F N 1.331 121.017 119.950 -0.440 0.000 2.493 124 F HA 0.196 4.897 4.527 0.089 -0.121 0.329 124 F C -0.393 175.063 175.800 -0.572 0.000 1.126 124 F CA -1.876 55.974 58.000 -0.250 0.000 0.937 124 F CB 2.716 41.630 39.000 -0.143 0.000 1.146 124 F HN -0.334 7.719 8.300 -0.412 0.000 0.442 125 V N 4.136 124.079 119.914 0.049 0.000 2.585 125 V HA -0.192 4.138 4.120 0.098 -0.151 0.296 125 V C -0.040 176.132 176.094 0.128 0.000 1.035 125 V CA 0.701 63.048 62.300 0.078 0.000 1.084 125 V CB 0.593 32.454 31.823 0.062 0.000 0.953 125 V HN 0.309 8.638 8.190 0.232 0.000 0.483 126 E N 7.904 128.193 120.200 0.149 0.000 2.404 126 E HA -0.120 4.290 4.350 0.100 0.000 0.261 126 E C -1.626 175.120 176.600 0.243 0.000 1.074 126 E CA -0.040 56.453 56.400 0.155 0.000 0.917 126 E CB 1.536 31.314 29.700 0.129 0.000 0.965 126 E HN -0.266 8.512 8.360 0.175 -0.313 0.433 127 A N 3.167 126.084 122.820 0.160 0.000 2.450 127 A HA 0.159 4.612 4.320 0.221 0.000 0.281 127 A C -0.816 176.814 177.584 0.076 0.000 1.372 127 A CA -1.300 50.828 52.037 0.152 0.000 0.886 127 A CB 1.474 20.546 19.000 0.120 0.000 1.462 127 A HN 0.026 8.244 8.150 0.113 0.000 0.514 128 Q N -3.779 116.052 119.800 0.052 0.000 2.453 128 Q HA -0.361 4.005 4.340 0.043 0.000 0.330 128 Q C -2.379 173.653 176.000 0.053 0.000 1.417 128 Q CA -0.107 55.723 55.803 0.045 0.000 0.902 128 Q CB -2.391 26.374 28.738 0.044 0.000 1.154 128 Q HN -0.240 8.069 8.270 0.065 0.000 0.395 129 P HA 0.291 4.762 4.420 -0.158 -0.146 0.278 129 P C -0.637 176.532 177.300 -0.218 0.000 1.258 129 P CA -0.972 61.939 63.100 -0.316 0.000 0.811 129 P CB 1.217 32.196 31.700 -1.203 0.000 1.063 130 K N -1.356 118.875 120.400 -0.283 0.000 2.235 130 K HA 0.289 4.417 4.320 -0.320 0.000 0.266 130 K C -1.095 175.317 176.600 -0.314 0.000 0.980 130 K CA -0.850 55.215 56.287 -0.369 0.000 0.849 130 K CB 2.246 34.402 32.500 -0.574 0.000 1.098 130 K HN -0.062 8.080 8.250 -0.181 0.000 0.445 131 I N 4.375 124.784 120.570 -0.269 0.000 2.406 131 I HA 0.730 4.890 4.170 -0.362 -0.207 0.290 131 I C -1.231 174.737 176.117 -0.248 0.000 0.999 131 I CA -1.309 59.803 61.300 -0.313 0.000 1.124 131 I CB 2.399 40.230 38.000 -0.281 0.000 1.289 131 I HN 0.365 8.440 8.210 -0.224 0.000 0.441 132 V N 6.650 126.389 119.914 -0.292 0.000 2.588 132 V HA 0.707 4.959 4.120 -0.099 -0.191 0.304 132 V C -1.369 174.574 176.094 -0.252 0.000 1.042 132 V CA -1.899 60.294 62.300 -0.178 0.000 0.877 132 V CB 3.372 35.134 31.823 -0.102 0.000 0.996 132 V HN 0.646 8.614 8.190 -0.371 0.000 0.425 133 L N 3.775 124.894 121.223 -0.174 0.000 2.322 133 L HA 0.257 4.427 4.340 -0.284 0.000 0.279 133 L C 0.675 177.350 176.870 -0.325 0.000 1.036 133 L CA -1.279 53.427 54.840 -0.224 0.000 0.807 133 L CB 1.037 43.056 42.059 -0.066 0.000 1.226 133 L HN 0.368 8.533 8.230 -0.107 0.000 0.433 134 G N -1.230 107.204 108.800 -0.609 0.000 2.254 134 G HA2 -0.363 2.965 3.960 -1.053 0.000 0.225 134 G HA3 -0.363 3.121 3.960 -0.794 0.000 0.225 134 G C -1.442 173.227 174.900 -0.386 0.000 1.003 134 G CA 0.490 45.123 45.100 -0.779 0.000 0.622 134 G HN 0.726 8.684 8.290 -0.553 0.000 0.507 135 Q N -1.933 117.638 119.800 -0.382 0.000 2.501 135 Q HA 0.285 4.476 4.340 -0.248 0.000 0.288 135 Q C -2.025 173.865 176.000 -0.183 0.000 1.051 135 Q CA -1.503 54.067 55.803 -0.389 0.000 0.788 135 Q CB 3.953 32.051 28.738 -1.066 0.000 1.469 135 Q HN -0.439 7.533 8.270 -0.378 0.072 0.416 136 E N 1.219 121.418 120.200 -0.001 0.000 2.134 136 E HA 0.104 4.491 4.350 0.062 0.000 0.278 136 E C -0.879 175.841 176.600 0.201 0.000 0.959 136 E CA -1.714 54.742 56.400 0.094 0.000 0.783 136 E CB 0.817 30.599 29.700 0.136 0.000 1.095 136 E HN 0.309 8.682 8.360 0.022 0.000 0.399 137 Q N 6.507 126.403 119.800 0.161 0.000 2.327 137 Q HA -0.036 4.558 4.340 0.191 -0.140 0.254 137 Q C -0.198 175.815 176.000 0.023 0.000 0.952 137 Q CA 0.876 56.755 55.803 0.128 0.000 0.884 137 Q CB 1.035 29.806 28.738 0.054 0.000 1.224 137 Q HN -0.063 8.265 8.270 0.096 0.000 0.422 138 D N 1.472 121.854 120.400 -0.030 0.000 2.441 138 D HA 0.341 5.175 4.640 -0.033 -0.214 0.210 138 D C -0.292 175.979 176.300 -0.048 0.000 1.102 138 D CA 0.137 54.112 54.000 -0.041 0.000 0.840 138 D CB 2.148 42.924 40.800 -0.040 0.000 0.990 138 D HN -0.262 8.066 8.370 -0.069 0.000 0.505 139 S N -2.128 113.525 115.700 -0.078 0.000 2.841 139 S HA 0.087 4.552 4.470 -0.008 0.000 0.318 139 S C -1.385 173.224 174.600 0.015 0.000 1.127 139 S CA -1.865 56.311 58.200 -0.040 0.000 0.883 139 S CB 1.657 64.804 63.200 -0.088 0.000 1.271 139 S HN -0.466 7.769 8.310 -0.125 0.000 0.567 140 Y N 2.611 122.853 120.300 -0.096 0.000 2.616 140 Y HA -0.174 4.329 4.550 -0.078 0.000 0.350 140 Y C 0.476 176.313 175.900 -0.103 0.000 1.119 140 Y CA 0.763 58.812 58.100 -0.085 0.000 1.467 140 Y CB -1.293 37.128 38.460 -0.065 0.000 1.287 140 Y HN 0.110 8.487 8.280 0.162 0.000 0.504 141 G N 5.945 114.573 108.800 -0.287 0.000 2.176 141 G HA2 -0.304 3.577 3.960 -0.265 0.000 0.232 141 G HA3 -0.304 3.448 3.960 -0.347 0.000 0.232 141 G C -1.466 173.224 174.900 -0.350 0.000 0.986 141 G CA -0.192 44.725 45.100 -0.305 0.000 0.643 141 G HN 0.461 8.877 8.290 -0.203 -0.248 0.522 142 G N -1.816 106.679 108.800 -0.507 0.000 2.694 142 G HA2 0.245 2.989 3.960 -2.027 0.000 0.246 142 G HA3 0.245 3.715 3.960 -0.816 0.000 0.246 142 G C -2.320 172.052 174.900 -0.881 0.000 1.205 142 G CA 0.126 44.580 45.100 -1.077 0.000 0.891 142 G HN -0.722 7.352 8.290 -0.360 0.000 0.515 143 K N -1.217 118.761 120.400 -0.703 0.000 3.653 143 K HA -0.338 3.815 4.320 -0.278 0.000 0.275 143 K C -1.294 175.179 176.600 -0.213 0.000 0.962 143 K CA 0.360 56.437 56.287 -0.350 0.000 0.773 143 K CB -0.953 31.434 32.500 -0.188 0.000 1.463 143 K HN 0.057 7.904 8.250 -0.672 0.000 0.450 144 F N -1.412 118.497 119.950 -0.069 0.000 2.368 144 F HA 0.604 5.304 4.527 -0.067 -0.213 0.308 144 F C 1.208 176.992 175.800 -0.027 0.000 1.198 144 F CA -1.798 56.164 58.000 -0.062 0.000 1.130 144 F CB 1.190 40.139 39.000 -0.086 0.000 1.300 144 F HN -0.388 7.694 8.300 -0.362 0.000 0.537 145 D N -1.034 119.490 120.400 0.207 0.000 2.616 145 D HA 0.258 4.960 4.640 0.102 0.000 0.238 145 D C -0.443 175.913 176.300 0.093 0.000 1.354 145 D CA -1.262 52.808 54.000 0.117 0.000 0.970 145 D CB 1.494 42.350 40.800 0.094 0.000 1.369 145 D HN 0.116 8.616 8.370 0.216 0.000 0.585 146 R N 6.059 126.604 120.500 0.075 0.000 2.193 146 R HA -0.223 4.259 4.340 0.041 -0.117 0.229 146 R C 1.848 178.175 176.300 0.046 0.000 1.110 146 R CA 2.166 58.296 56.100 0.051 0.000 0.988 146 R CB -0.069 30.257 30.300 0.044 0.000 0.871 146 R HN 0.384 8.698 8.270 0.075 0.000 0.458 147 S N -0.258 115.476 115.700 0.057 0.000 2.547 147 S HA -0.172 4.327 4.470 0.049 0.000 0.235 147 S C 0.328 174.983 174.600 0.092 0.000 0.980 147 S CA 2.206 60.443 58.200 0.062 0.000 0.941 147 S CB -0.057 63.180 63.200 0.061 0.000 0.763 147 S HN -0.095 8.481 8.310 0.060 -0.231 0.532 148 Q N -2.553 117.313 119.800 0.110 0.000 2.189 148 Q HA 0.270 4.717 4.340 0.178 0.000 0.223 148 Q C -0.938 175.135 176.000 0.122 0.000 0.828 148 Q CA -1.102 54.799 55.803 0.164 0.000 0.967 148 Q CB 2.056 30.934 28.738 0.234 0.000 1.139 148 Q HN -0.262 7.898 8.270 0.096 0.168 0.497 149 S N 1.137 116.866 115.700 0.050 0.000 2.572 149 S HA -0.031 4.531 4.470 -0.041 -0.117 0.279 149 S C -0.590 173.987 174.600 -0.040 0.000 1.341 149 S CA -0.223 57.964 58.200 -0.021 0.000 1.043 149 S CB 0.778 63.948 63.200 -0.049 0.000 0.887 149 S HN -0.630 7.592 8.310 0.042 0.113 0.516 150 F N 3.501 123.289 119.950 -0.270 0.000 2.405 150 F HA 0.203 4.450 4.527 -0.466 0.000 0.355 150 F C -1.357 174.223 175.800 -0.367 0.000 1.121 150 F CA -0.297 57.460 58.000 -0.405 0.000 1.112 150 F CB 1.609 40.333 39.000 -0.460 0.000 1.126 150 F HN -0.454 7.690 8.300 -0.072 0.113 0.481 151 V N 7.429 126.722 119.914 -1.035 0.000 2.409 151 V HA 0.228 4.241 4.120 -0.387 -0.125 0.291 151 V C -1.343 174.153 176.094 -0.996 0.000 1.020 151 V CA -1.095 60.800 62.300 -0.674 0.000 0.848 151 V CB 1.611 33.197 31.823 -0.396 0.000 0.990 151 V HN 0.074 7.563 8.190 -1.169 0.000 0.430 152 G N 6.446 114.909 108.800 -0.563 0.000 2.291 152 G HA2 -0.010 3.771 3.960 -0.298 0.000 0.249 152 G HA3 -0.010 3.692 3.960 -0.625 -0.118 0.249 152 G C -3.045 172.004 174.900 0.248 0.000 1.340 152 G CA 0.134 45.011 45.100 -0.373 0.000 1.017 152 G HN 0.096 8.250 8.290 -0.227 0.000 0.470 153 E N -0.288 120.186 120.200 0.457 0.000 2.266 153 E HA 0.999 5.948 4.350 0.642 -0.214 0.268 153 E C -1.398 175.669 176.600 0.778 0.000 0.879 153 E CA -1.785 55.006 56.400 0.652 0.000 0.762 153 E CB 4.368 34.458 29.700 0.650 0.000 1.199 153 E HN -0.016 8.555 8.360 0.352 0.000 0.422 154 I N 1.578 122.553 120.570 0.674 0.000 2.582 154 I HA 0.760 5.415 4.170 0.478 -0.198 0.292 154 I C -1.646 174.637 176.117 0.277 0.000 1.066 154 I CA -1.729 59.847 61.300 0.460 0.000 1.053 154 I CB 3.982 42.155 38.000 0.288 0.000 1.241 154 I HN 0.342 8.955 8.210 0.671 0.000 0.421 155 G N 1.693 110.498 108.800 0.008 0.000 2.727 155 G HA2 0.529 3.945 3.960 -0.906 0.000 0.289 155 G HA3 0.529 4.268 3.960 -0.368 0.000 0.289 155 G C -2.067 172.234 174.900 -0.998 0.000 1.418 155 G CA -0.966 43.778 45.100 -0.593 0.000 0.818 155 G HN 0.294 8.668 8.290 0.138 0.000 0.486 156 D N -3.518 115.778 120.400 -1.840 0.000 2.697 156 D HA -0.462 3.431 4.640 -1.244 0.000 0.238 156 D C -1.206 174.710 176.300 -0.640 0.000 1.152 156 D CA 1.425 54.790 54.000 -1.058 0.000 0.666 156 D CB -0.553 40.107 40.800 -0.234 0.000 1.037 156 D HN 0.458 7.239 8.370 -2.649 0.000 0.423 157 L N -1.901 118.732 121.223 -0.983 0.000 2.292 157 L HA 0.480 5.024 4.340 -0.040 -0.229 0.284 157 L C -2.076 174.504 176.870 -0.484 0.000 1.065 157 L CA -0.489 54.164 54.840 -0.312 0.000 0.806 157 L CB 1.755 43.775 42.059 -0.064 0.000 1.175 157 L HN -0.607 6.620 8.230 -1.672 0.000 0.431 158 Y N 2.209 122.485 120.300 -0.040 0.000 2.504 158 Y HA 0.403 4.960 4.550 -0.292 -0.182 0.344 158 Y C -1.644 174.011 175.900 -0.409 0.000 1.023 158 Y CA -1.712 56.166 58.100 -0.369 0.000 1.020 158 Y CB 4.627 42.608 38.460 -0.797 0.000 1.282 158 Y HN 0.425 8.783 8.280 0.130 0.000 0.454 159 M N 1.388 120.793 119.600 -0.324 0.000 2.267 159 M HA 0.739 5.493 4.480 0.124 -0.200 0.289 159 M C -2.405 173.851 176.300 -0.072 0.000 1.043 159 M CA -0.598 54.668 55.300 -0.056 0.000 0.928 159 M CB 4.185 36.824 32.600 0.065 0.000 1.613 159 M HN 0.532 8.610 8.290 -0.354 0.000 0.450 160 W N 3.253 124.672 121.300 0.198 0.000 2.689 160 W HA 0.692 5.614 4.660 0.155 -0.169 0.340 160 W C 0.032 176.662 176.519 0.185 0.000 1.060 160 W CA -1.754 55.688 57.345 0.162 0.000 1.218 160 W CB 3.673 33.197 29.460 0.108 0.000 1.410 160 W HN 0.896 9.515 8.180 0.731 0.000 0.528 161 D N -3.136 117.493 120.400 0.381 0.000 2.519 161 D HA 0.000 4.942 4.640 0.336 -0.101 0.238 161 D C -1.282 175.149 176.300 0.217 0.000 1.192 161 D CA -0.196 53.980 54.000 0.294 0.000 0.835 161 D CB -0.774 40.162 40.800 0.227 0.000 0.975 161 D HN -0.154 8.656 8.370 0.352 -0.228 0.490 162 S N -5.529 110.291 115.700 0.200 0.000 2.638 162 S HA 0.156 4.646 4.470 0.033 0.000 0.274 162 S C -1.417 173.171 174.600 -0.020 0.000 1.157 162 S CA -1.875 56.361 58.200 0.058 0.000 0.826 162 S CB 3.253 66.466 63.200 0.023 0.000 1.139 162 S HN -0.902 7.483 8.310 0.274 0.089 0.474 163 V N 2.904 122.753 119.914 -0.108 0.000 2.389 163 V HA 0.202 4.215 4.120 -0.177 0.000 0.264 163 V C 0.158 176.123 176.094 -0.215 0.000 1.049 163 V CA -0.522 61.676 62.300 -0.169 0.000 0.932 163 V CB 0.411 32.128 31.823 -0.178 0.000 1.011 163 V HN 0.287 8.413 8.190 -0.106 0.000 0.475 164 L N 9.065 130.104 121.223 -0.306 0.000 2.416 164 L HA 0.212 4.314 4.340 -0.396 0.000 0.272 164 L C -1.157 175.509 176.870 -0.341 0.000 1.161 164 L CA -1.620 52.973 54.840 -0.411 0.000 0.845 164 L CB -0.459 41.223 42.059 -0.628 0.000 1.119 164 L HN -0.076 7.969 8.230 -0.308 0.000 0.464 165 P HA 0.272 4.578 4.420 -0.189 0.000 0.274 165 P C -1.379 175.709 177.300 -0.353 0.000 1.246 165 P CA -2.155 60.798 63.100 -0.245 0.000 0.795 165 P CB -0.425 31.166 31.700 -0.182 0.000 1.006 166 P HA -0.319 3.545 4.420 -0.927 0.000 0.216 166 P C 1.246 178.312 177.300 -0.390 0.000 1.153 166 P CA 3.163 65.974 63.100 -0.482 0.000 0.858 166 P CB -0.198 31.427 31.700 -0.125 0.000 0.789 167 E N -4.094 115.961 120.200 -0.241 0.000 2.110 167 E HA -0.311 3.942 4.350 -0.162 0.000 0.193 167 E C 2.269 178.730 176.600 -0.231 0.000 0.988 167 E CA 3.457 59.743 56.400 -0.190 0.000 0.804 167 E CB -1.355 28.267 29.700 -0.131 0.000 0.745 167 E HN 0.725 8.965 8.360 -0.201 0.000 0.458 168 N N -0.140 118.382 118.700 -0.295 0.000 2.270 168 N HA -0.176 4.405 4.740 -0.265 0.000 0.181 168 N C 2.066 177.347 175.510 -0.382 0.000 1.016 168 N CA 2.470 55.321 53.050 -0.332 0.000 0.870 168 N CB 0.176 38.413 38.487 -0.417 0.000 0.979 168 N HN -0.714 7.481 8.380 -0.309 0.000 0.431 169 I N 1.249 121.529 120.570 -0.483 0.000 2.127 169 I HA -0.367 3.550 4.170 -0.421 0.000 0.241 169 I C 1.937 177.890 176.117 -0.273 0.000 1.075 169 I CA 2.815 63.815 61.300 -0.500 0.000 1.334 169 I CB -0.937 36.456 38.000 -1.011 0.000 1.040 169 I HN -0.388 7.496 8.210 -0.543 0.000 0.405 170 L N -1.547 119.526 121.223 -0.250 0.000 2.083 170 L HA -0.403 3.954 4.340 0.029 0.000 0.209 170 L C 2.228 179.054 176.870 -0.073 0.000 1.083 170 L CA 3.531 58.327 54.840 -0.073 0.000 0.752 170 L CB -0.768 41.262 42.059 -0.050 0.000 0.899 170 L HN -0.116 7.922 8.230 -0.320 0.000 0.433 171 S N -0.318 115.306 115.700 -0.127 0.000 2.368 171 S HA -0.408 3.996 4.470 -0.109 0.000 0.225 171 S C 2.273 176.803 174.600 -0.117 0.000 1.030 171 S CA 3.626 61.754 58.200 -0.120 0.000 0.999 171 S CB -0.334 62.790 63.200 -0.127 0.000 0.844 171 S HN -0.399 7.815 8.310 -0.160 0.000 0.459 172 A N 1.765 124.524 122.820 -0.103 0.000 1.902 172 A HA -0.259 4.030 4.320 -0.053 0.000 0.217 172 A C 1.363 178.845 177.584 -0.171 0.000 1.181 172 A CA 2.545 54.559 52.037 -0.038 0.000 0.623 172 A CB -0.505 18.579 19.000 0.140 0.000 0.818 172 A HN -0.593 7.483 8.150 -0.123 0.000 0.443 173 Y N -1.139 118.879 120.300 -0.469 0.000 2.145 173 Y HA -0.335 3.211 4.550 -1.675 0.000 0.286 173 Y C 1.204 176.865 175.900 -0.398 0.000 1.145 173 Y CA 2.533 60.150 58.100 -0.804 0.000 1.148 173 Y CB 0.740 38.932 38.460 -0.446 0.000 0.981 173 Y HN -0.493 7.735 8.280 -0.086 0.000 0.507 174 Q N -5.547 114.002 119.800 -0.418 0.000 2.040 174 Q HA 0.118 4.163 4.340 -0.492 0.000 0.212 174 Q C -0.537 175.321 176.000 -0.238 0.000 0.766 174 Q CA -0.372 55.158 55.803 -0.455 0.000 0.967 174 Q CB 3.097 31.495 28.738 -0.566 0.000 1.202 174 Q HN -0.060 8.063 8.270 -0.246 0.000 0.446 175 G N 0.439 109.137 108.800 -0.170 0.000 3.247 175 G HA2 0.396 4.290 3.960 -0.110 0.000 0.163 175 G HA3 0.396 4.294 3.960 -0.103 0.000 0.163 175 G C -1.540 173.303 174.900 -0.095 0.000 1.206 175 G CA -0.970 44.060 45.100 -0.116 0.000 0.918 175 G HN -0.251 7.822 8.290 -0.167 0.116 0.625 176 T N 3.421 117.930 114.554 -0.075 0.000 2.743 176 T HA 0.263 4.582 4.350 -0.052 0.000 0.292 176 T C -2.211 172.443 174.700 -0.077 0.000 0.972 176 T CA -2.177 59.888 62.100 -0.059 0.000 0.967 176 T CB 1.001 69.847 68.868 -0.035 0.000 0.926 176 T HN -0.050 8.146 8.240 -0.072 0.000 0.459 177 P HA -0.079 4.281 4.420 -0.101 0.000 0.268 177 P C -0.538 176.728 177.300 -0.056 0.000 1.205 177 P CA -0.543 62.468 63.100 -0.149 0.000 0.771 177 P CB 0.627 32.016 31.700 -0.517 0.000 0.858 178 L N 2.474 123.730 121.223 0.055 0.000 2.453 178 L HA 0.132 4.520 4.340 0.081 0.000 0.272 178 L C -0.793 176.267 176.870 0.317 0.000 1.182 178 L CA -1.173 53.758 54.840 0.152 0.000 0.858 178 L CB -0.691 41.426 42.059 0.096 0.000 1.120 178 L HN 0.225 8.468 8.230 0.022 0.000 0.474 179 P HA -0.059 4.589 4.420 0.164 -0.130 0.265 179 P C -1.196 176.252 177.300 0.247 0.000 1.187 179 P CA 0.310 63.527 63.100 0.195 0.000 0.766 179 P CB 0.349 32.135 31.700 0.143 0.000 0.820 180 A N 4.154 126.980 122.820 0.009 0.000 2.350 180 A HA 0.292 4.378 4.320 -0.390 0.000 0.324 180 A C -1.388 176.134 177.584 -0.102 0.000 1.118 180 A CA -1.692 50.122 52.037 -0.372 0.000 0.783 180 A CB 2.829 21.231 19.000 -0.997 0.000 1.236 180 A HN -0.150 8.330 8.150 0.051 -0.299 0.457 181 N N 0.105 118.795 118.700 -0.017 0.000 2.299 181 N HA -0.004 4.764 4.740 0.047 0.000 0.187 181 N C -0.077 175.467 175.510 0.058 0.000 1.099 181 N CA 0.948 54.033 53.050 0.058 0.000 0.867 181 N CB 0.190 38.749 38.487 0.121 0.000 0.974 181 N HN 0.041 8.428 8.380 0.011 0.000 0.477 182 I N -2.069 118.526 120.570 0.043 0.000 2.899 182 I HA -0.026 4.200 4.170 0.094 0.000 0.257 182 I C -1.419 174.732 176.117 0.056 0.000 1.115 182 I CA 1.916 63.265 61.300 0.081 0.000 1.451 182 I CB 1.872 39.957 38.000 0.142 0.000 1.251 182 I HN -0.446 7.765 8.210 0.001 0.000 0.456 183 L N -4.568 116.661 121.223 0.010 0.000 2.431 183 L HA 0.242 4.597 4.340 0.025 0.000 0.266 183 L C -2.651 174.175 176.870 -0.072 0.000 0.978 183 L CA -0.843 54.005 54.840 0.013 0.000 0.822 183 L CB 3.794 45.911 42.059 0.098 0.000 1.310 183 L HN -0.724 7.484 8.230 -0.037 0.000 0.409 184 D N 1.590 121.955 120.400 -0.058 0.000 2.936 184 D HA 0.237 4.788 4.640 -0.149 0.000 0.238 184 D C -0.180 176.067 176.300 -0.088 0.000 1.248 184 D CA -0.558 53.397 54.000 -0.075 0.000 0.903 184 D CB 2.798 43.618 40.800 0.033 0.000 1.544 184 D HN 0.129 8.478 8.370 -0.035 0.000 0.543 185 W N 6.310 127.263 121.300 -0.579 0.000 2.392 185 W HA -0.374 4.093 4.660 -0.321 0.000 0.279 185 W C 0.273 176.694 176.519 -0.164 0.000 1.225 185 W CA 2.802 59.902 57.345 -0.408 0.000 1.233 185 W CB 0.820 29.923 29.460 -0.595 0.000 1.122 185 W HN 0.307 8.057 8.180 -0.718 0.000 0.561 186 Q N -4.340 115.488 119.800 0.046 0.000 2.451 186 Q HA 0.004 4.497 4.340 -0.023 -0.167 0.206 186 Q C -0.294 175.679 176.000 -0.045 0.000 0.947 186 Q CA 0.911 56.724 55.803 0.016 0.000 0.937 186 Q CB 0.170 28.975 28.738 0.113 0.000 1.025 186 Q HN -0.443 8.160 8.270 0.128 -0.257 0.511 187 A N -2.108 120.662 122.820 -0.084 0.000 3.399 187 A HA 0.200 4.526 4.320 -0.117 -0.076 0.262 187 A C -2.108 175.371 177.584 -0.176 0.000 1.145 187 A CA -0.310 51.642 52.037 -0.142 0.000 0.916 187 A CB 0.770 19.665 19.000 -0.175 0.000 1.360 187 A HN -0.392 7.549 8.150 -0.082 0.160 0.628 188 L N 0.661 121.811 121.223 -0.122 0.000 2.289 188 L HA 0.237 4.556 4.340 -0.036 0.000 0.285 188 L C -1.491 175.405 176.870 0.045 0.000 1.049 188 L CA -1.036 53.784 54.840 -0.034 0.000 0.804 188 L CB 2.857 44.870 42.059 -0.076 0.000 1.195 188 L HN -0.117 8.034 8.230 -0.132 0.000 0.428 189 N N 6.811 125.528 118.700 0.029 0.000 2.437 189 N HA 0.221 4.907 4.740 -0.089 0.000 0.259 189 N C -1.625 173.925 175.510 0.066 0.000 0.983 189 N CA -0.455 52.588 53.050 -0.013 0.000 0.937 189 N CB 1.494 39.968 38.487 -0.021 0.000 1.122 189 N HN 0.438 8.827 8.380 0.016 0.000 0.499 190 Y N -0.474 119.824 120.300 -0.004 0.000 2.638 190 Y HA 0.905 5.614 4.550 -0.015 -0.168 0.339 190 Y C -1.421 174.459 175.900 -0.033 0.000 1.084 190 Y CA -2.603 55.494 58.100 -0.005 0.000 1.068 190 Y CB 3.119 41.619 38.460 0.066 0.000 1.294 190 Y HN 0.095 8.092 8.280 -0.472 0.000 0.480 191 E N 0.238 120.488 120.200 0.083 0.000 2.244 191 E HA 0.361 4.671 4.350 -0.067 0.000 0.260 191 E C -1.359 175.241 176.600 -0.001 0.000 0.884 191 E CA -1.328 55.066 56.400 -0.011 0.000 0.777 191 E CB 3.394 33.062 29.700 -0.053 0.000 1.197 191 E HN 0.115 8.551 8.360 0.126 0.000 0.416 192 I N 4.125 124.711 120.570 0.027 0.000 2.441 192 I HA -0.079 3.984 4.170 -0.177 0.000 0.287 192 I C 0.010 176.037 176.117 -0.151 0.000 1.049 192 I CA 0.692 61.942 61.300 -0.084 0.000 1.381 192 I CB 0.670 38.670 38.000 -0.001 0.000 1.409 192 I HN 0.353 8.611 8.210 0.079 0.000 0.523 193 R N 7.029 127.359 120.500 -0.283 0.000 2.476 193 R HA 0.356 4.606 4.340 -0.150 0.000 0.305 193 R C -0.557 175.663 176.300 -0.133 0.000 0.965 193 R CA -2.294 53.645 56.100 -0.270 0.000 0.867 193 R CB 1.682 31.638 30.300 -0.573 0.000 1.176 193 R HN 0.464 8.522 8.270 -0.353 0.000 0.447 194 G N 3.980 112.770 108.800 -0.017 0.000 2.512 194 G HA2 -0.394 3.606 3.960 0.067 0.000 0.240 194 G HA3 -0.394 3.729 3.960 0.088 -0.110 0.240 194 G C -1.351 173.621 174.900 0.120 0.000 1.246 194 G CA -0.106 45.032 45.100 0.064 0.000 0.919 194 G HN 0.289 8.571 8.290 -0.013 0.000 0.577 195 Y N 6.215 126.512 120.300 -0.006 0.000 2.691 195 Y HA 0.137 4.673 4.550 -0.023 0.000 0.338 195 Y C -1.707 174.164 175.900 -0.049 0.000 1.148 195 Y CA -1.988 56.103 58.100 -0.016 0.000 1.430 195 Y CB -0.832 37.631 38.460 0.006 0.000 1.303 195 Y HN -0.285 8.489 8.280 0.252 -0.343 0.499 196 V N 6.397 126.258 119.914 -0.088 0.000 2.623 196 V HA 0.627 4.634 4.120 -0.484 -0.177 0.304 196 V C -1.485 174.491 176.094 -0.196 0.000 1.054 196 V CA -1.764 60.336 62.300 -0.333 0.000 0.882 196 V CB 3.552 35.099 31.823 -0.459 0.000 1.002 196 V HN -0.651 7.549 8.190 0.017 0.000 0.424 197 I N 6.439 126.874 120.570 -0.224 0.000 2.474 197 I HA 0.309 4.464 4.170 -0.027 0.000 0.294 197 I C -1.104 174.989 176.117 -0.040 0.000 1.005 197 I CA -2.495 58.753 61.300 -0.086 0.000 1.113 197 I CB 3.405 41.351 38.000 -0.091 0.000 1.289 197 I HN 0.471 8.493 8.210 -0.313 0.000 0.436 198 I N 6.681 127.247 120.570 -0.006 0.000 2.342 198 I HA 0.389 4.728 4.170 -0.065 -0.207 0.291 198 I C -0.218 175.879 176.117 -0.033 0.000 1.010 198 I CA -0.161 61.111 61.300 -0.048 0.000 1.308 198 I CB 1.208 39.151 38.000 -0.095 0.000 1.400 198 I HN 0.260 8.475 8.210 0.009 0.000 0.488 199 K N 7.195 127.581 120.400 -0.024 0.000 2.480 199 K HA 0.593 4.912 4.320 -0.001 0.000 0.258 199 K C -2.680 173.918 176.600 -0.004 0.000 0.990 199 K CA -3.903 52.386 56.287 0.003 0.000 0.857 199 K CB 2.085 34.607 32.500 0.037 0.000 1.384 199 K HN 0.019 8.254 8.250 -0.026 0.000 0.446 200 P HA 0.047 4.607 4.420 -0.031 -0.158 0.269 200 P C -1.092 176.188 177.300 -0.034 0.000 1.209 200 P CA -0.026 63.063 63.100 -0.020 0.000 0.776 200 P CB 0.503 32.197 31.700 -0.011 0.000 0.876 201 L N 2.578 123.735 121.223 -0.110 0.000 2.369 201 L HA -0.024 4.104 4.340 -0.353 0.000 0.279 201 L C 0.273 176.990 176.870 -0.255 0.000 1.108 201 L CA 0.261 54.920 54.840 -0.300 0.000 0.852 201 L CB 0.492 42.312 42.059 -0.398 0.000 1.169 201 L HN -0.066 7.995 8.230 -0.099 0.109 0.452 202 V N 1.970 121.766 119.914 -0.196 0.000 3.605 202 V HA 0.257 4.349 4.120 -0.046 0.000 0.284 202 V C -0.449 175.685 176.094 0.066 0.000 1.386 202 V CA -0.244 62.047 62.300 -0.015 0.000 1.053 202 V CB 0.918 32.802 31.823 0.102 0.000 0.857 202 V HN 0.139 8.217 8.190 -0.188 0.000 0.436 203 W N -0.750 120.570 121.300 0.034 0.000 2.578 203 W HA 0.388 5.028 4.660 -0.033 0.000 0.364 203 W C -1.189 175.302 176.519 -0.047 0.000 1.144 203 W CA -1.305 56.022 57.345 -0.030 0.000 1.242 203 W CB 0.634 30.038 29.460 -0.095 0.000 1.382 203 W HN -0.485 7.400 8.180 -0.491 0.000 0.625 204 V N 0.000 120.063 119.914 0.248 0.000 2.409 204 V HA 0.000 4.118 4.120 -0.004 0.000 0.244 204 V CA 0.000 62.357 62.300 0.095 0.000 1.235 204 V CB 0.000 31.855 31.823 0.053 0.000 1.184 204 V HN 0.000 8.348 8.190 0.262 0.000 0.556