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 3em5_1_B DATA FIRST_RESID 2 DATA SEQUENCE VGVCYGMQGN NLPPVSEVIA LYKKSNITRM RIYDPNQAVL EALRGSNIEL DATA SEQUENCE ILGVPNSDLQ SLTNPSNAKS WVQKNVRGFW SSVRFRYIAV GNEISPVNRG DATA SEQUENCE TAWLAQFVLP AMRNIHDAIR SAGLQDQIKV STAIDLTLVG NSYPPSAGAF DATA SEQUENCE RDDVRSYLNP IIRFLSSIRS PLLANIYPYF TYAGNPRDIS LPYALFTSPS DATA SEQUENCE VVVWDGQRGY KNLFDATLDA LYSALERASG GSLEVVVSES GWPSAGAFAA DATA SEQUENCE TFDNGRTYLS NLIQHVKRGT PKRPKRAIET YLFAMFDENK KQPEVEKHFG DATA SEQUENCE LFFPNKWQKY NLNFS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 176.001 176.094 -0.154 0.000 1.182 2 V CA 0.000 62.236 62.300 -0.106 0.000 1.235 2 V CB 0.000 31.816 31.823 -0.011 0.000 1.184 3 G N 2.664 111.259 108.800 -0.342 0.000 2.735 3 G HA2 0.777 4.739 3.960 0.002 0.000 0.301 3 G HA3 0.777 4.739 3.960 0.002 0.000 0.301 3 G C -1.476 173.450 174.900 0.045 0.000 1.279 3 G CA -0.666 44.290 45.100 -0.239 0.000 1.019 3 G HN 1.166 9.456 8.290 -0.000 0.000 0.497 4 V N -0.563 119.502 119.914 0.250 0.000 2.668 4 V HA 0.257 4.378 4.120 0.002 0.000 0.304 4 V C -0.325 176.061 176.094 0.487 0.000 1.071 4 V CA -0.895 61.583 62.300 0.296 0.000 0.894 4 V CB 1.446 33.271 31.823 0.002 0.000 1.008 4 V HN 0.952 9.142 8.190 -0.000 0.000 0.425 5 C N 4.685 124.309 119.300 0.541 0.000 2.632 5 C HA 0.258 4.719 4.460 0.002 0.000 0.415 5 C C 0.054 175.419 174.990 0.625 0.000 1.332 5 C CA -0.356 59.027 59.018 0.608 0.000 1.874 5 C CB -0.624 27.664 27.740 0.913 0.000 2.596 5 C HN 0.777 9.007 8.230 -0.000 0.000 0.590 6 Y N 2.980 123.522 120.300 0.402 0.000 2.841 6 Y HA 0.510 5.061 4.550 0.002 0.000 0.329 6 Y C 0.476 176.612 175.900 0.394 0.000 1.062 6 Y CA -1.022 57.291 58.100 0.355 0.000 1.281 6 Y CB 0.156 38.742 38.460 0.209 0.000 1.147 6 Y HN 0.796 9.076 8.280 -0.000 0.000 0.521 7 G N 4.553 113.608 108.800 0.425 0.000 2.395 7 G HA2 0.410 4.371 3.960 0.002 0.000 0.283 7 G HA3 0.410 4.371 3.960 0.002 0.000 0.283 7 G C 0.059 175.004 174.900 0.074 0.000 1.178 7 G CA -0.712 44.544 45.100 0.261 0.000 0.837 7 G HN 0.716 9.006 8.290 -0.000 0.000 0.518 8 M N 1.045 120.618 119.600 -0.045 0.000 2.496 8 M HA 0.173 4.655 4.480 0.002 0.000 0.330 8 M C 0.707 177.005 176.300 -0.004 0.000 1.133 8 M CA 0.083 55.340 55.300 -0.073 0.000 0.964 8 M CB 0.845 33.329 32.600 -0.193 0.000 1.401 8 M HN 0.449 8.739 8.290 -0.000 0.000 0.520 9 Q N 1.647 121.465 119.800 0.031 0.000 3.247 9 Q HA 0.347 4.689 4.340 0.002 0.000 0.326 9 Q C 0.079 176.102 176.000 0.038 0.000 1.402 9 Q CA -0.418 55.403 55.803 0.029 0.000 0.994 9 Q CB 0.358 29.114 28.738 0.031 0.000 1.647 9 Q HN 0.425 8.695 8.270 -0.000 0.000 0.523 10 G N 0.799 109.617 108.800 0.030 0.000 2.719 10 G HA2 0.185 4.146 3.960 0.002 0.000 0.298 10 G HA3 0.185 4.146 3.960 0.002 0.000 0.298 10 G C -0.073 174.835 174.900 0.014 0.000 1.411 10 G CA -0.859 44.260 45.100 0.031 0.000 0.991 10 G HN 0.431 8.721 8.290 -0.000 0.000 0.509 11 N N 0.169 118.880 118.700 0.017 0.000 2.461 11 N HA -0.022 4.719 4.740 0.002 0.000 0.188 11 N C 0.777 176.291 175.510 0.005 0.000 1.134 11 N CA 0.569 53.625 53.050 0.011 0.000 0.878 11 N CB 0.225 38.721 38.487 0.016 0.000 0.972 11 N HN 0.416 8.796 8.380 -0.000 0.000 0.456 12 N N -0.150 118.551 118.700 0.002 0.000 2.241 12 N HA 0.103 4.845 4.740 0.002 0.000 0.238 12 N C -0.640 174.841 175.510 -0.049 0.000 1.244 12 N CA -0.358 52.690 53.050 -0.004 0.000 0.880 12 N CB -0.109 38.394 38.487 0.026 0.000 1.179 12 N HN 0.129 8.509 8.380 -0.000 0.000 0.513 13 L N 0.803 121.966 121.223 -0.101 0.000 2.417 13 L HA 0.448 4.789 4.340 0.002 0.000 0.268 13 L C -1.752 174.985 176.870 -0.221 0.000 1.158 13 L CA -1.686 52.997 54.840 -0.262 0.000 0.819 13 L CB -0.098 41.788 42.059 -0.289 0.000 1.112 13 L HN -0.128 8.102 8.230 -0.000 0.000 0.458 14 P HA 0.133 4.553 4.420 -0.000 0.000 0.270 14 P C -2.491 174.752 177.300 -0.095 0.000 1.227 14 P CA -0.810 62.197 63.100 -0.155 0.000 0.788 14 P CB -0.281 31.329 31.700 -0.150 0.000 0.926 15 P HA -0.015 4.405 4.420 -0.000 0.000 0.271 15 P C 1.005 178.312 177.300 0.011 0.000 1.218 15 P CA -0.090 63.005 63.100 -0.009 0.000 0.780 15 P CB 0.335 32.032 31.700 -0.003 0.000 0.901 16 V N 2.109 122.051 119.914 0.047 0.000 2.233 16 V HA -0.361 3.760 4.120 0.002 0.000 0.252 16 V C 2.372 178.474 176.094 0.014 0.000 1.063 16 V CA 2.936 65.285 62.300 0.081 0.000 1.032 16 V CB -1.729 30.143 31.823 0.082 0.000 0.645 16 V HN 0.796 8.986 8.190 -0.000 0.000 0.446 17 S N -0.001 115.702 115.700 0.004 0.000 2.389 17 S HA -0.367 4.105 4.470 0.002 0.000 0.231 17 S C 1.766 176.353 174.600 -0.022 0.000 1.052 17 S CA 2.238 60.431 58.200 -0.012 0.000 1.053 17 S CB -0.697 62.501 63.200 -0.004 0.000 0.886 17 S HN 0.778 9.088 8.310 -0.000 0.000 0.456 18 E N 0.596 120.786 120.200 -0.016 0.000 2.152 18 E HA -0.002 4.349 4.350 0.002 0.000 0.192 18 E C 2.148 178.734 176.600 -0.024 0.000 0.983 18 E CA 0.985 57.376 56.400 -0.014 0.000 0.818 18 E CB -0.249 29.447 29.700 -0.006 0.000 0.758 18 E HN 0.454 8.814 8.360 -0.000 0.000 0.467 19 V N 1.653 121.537 119.914 -0.049 0.000 2.427 19 V HA -0.234 3.887 4.120 0.002 0.000 0.248 19 V C 2.169 178.181 176.094 -0.136 0.000 1.051 19 V CA 1.087 63.334 62.300 -0.087 0.000 1.048 19 V CB -0.338 31.298 31.823 -0.312 0.000 0.666 19 V HN 0.289 8.479 8.190 -0.000 0.000 0.456 20 I N 0.839 121.302 120.570 -0.178 0.000 2.252 20 I HA -0.183 3.988 4.170 0.002 0.000 0.245 20 I C 2.720 178.804 176.117 -0.056 0.000 1.102 20 I CA 1.881 63.071 61.300 -0.183 0.000 1.385 20 I CB -1.680 36.229 38.000 -0.152 0.000 1.064 20 I HN 0.306 8.516 8.210 -0.000 0.000 0.414 21 A N 0.765 123.561 122.820 -0.041 0.000 1.902 21 A HA -0.212 4.110 4.320 0.002 0.000 0.217 21 A C 2.311 179.885 177.584 -0.017 0.000 1.181 21 A CA 1.410 53.435 52.037 -0.019 0.000 0.623 21 A CB -0.965 18.027 19.000 -0.013 0.000 0.818 21 A HN 0.368 8.518 8.150 -0.000 0.000 0.443 22 L N -1.549 119.655 121.223 -0.032 0.000 2.131 22 L HA -0.131 4.210 4.340 0.002 0.000 0.210 22 L C 2.171 178.943 176.870 -0.163 0.000 1.092 22 L CA 1.678 56.451 54.840 -0.112 0.000 0.759 22 L CB -0.784 41.161 42.059 -0.190 0.000 0.903 22 L HN 0.521 8.751 8.230 -0.000 0.000 0.435 23 Y N -0.163 119.975 120.300 -0.271 0.000 2.092 23 Y HA -0.234 4.318 4.550 0.002 0.000 0.282 23 Y C 2.455 178.247 175.900 -0.180 0.000 1.126 23 Y CA 1.467 59.410 58.100 -0.261 0.000 1.111 23 Y CB -0.167 38.152 38.460 -0.235 0.000 0.987 23 Y HN 0.021 8.301 8.280 -0.000 0.000 0.489 24 K N 0.615 121.040 120.400 0.042 0.000 2.173 24 K HA -0.275 4.046 4.320 0.002 0.000 0.207 24 K C 1.836 178.423 176.600 -0.021 0.000 1.046 24 K CA 1.500 57.786 56.287 -0.002 0.000 0.929 24 K CB -0.440 32.057 32.500 -0.006 0.000 0.720 24 K HN 0.338 8.588 8.250 -0.000 0.000 0.453 25 K N 0.615 120.997 120.400 -0.030 0.000 2.097 25 K HA -0.035 4.286 4.320 0.002 0.000 0.206 25 K C 1.444 178.036 176.600 -0.013 0.000 1.049 25 K CA 1.253 57.531 56.287 -0.015 0.000 0.933 25 K CB 0.151 32.646 32.500 -0.007 0.000 0.717 25 K HN -0.047 8.203 8.250 -0.000 0.000 0.442 26 S N 0.471 116.138 115.700 -0.055 0.000 2.540 26 S HA 0.039 4.510 4.470 0.002 0.000 0.218 26 S C -0.077 174.507 174.600 -0.026 0.000 0.977 26 S CA -0.035 58.149 58.200 -0.026 0.000 0.918 26 S CB 0.078 63.252 63.200 -0.042 0.000 0.806 26 S HN 0.494 8.804 8.310 -0.000 0.000 0.496 27 N N 1.118 119.790 118.700 -0.047 0.000 2.754 27 N HA -0.172 4.569 4.740 0.002 0.000 0.248 27 N C -0.900 174.571 175.510 -0.065 0.000 1.093 27 N CA 0.298 53.331 53.050 -0.029 0.000 0.699 27 N CB -1.682 36.808 38.487 0.005 0.000 1.016 27 N HN 0.447 8.827 8.380 -0.000 0.000 0.552 28 I N 0.917 121.383 120.570 -0.174 0.000 2.281 28 I HA 0.120 4.291 4.170 0.002 0.000 0.293 28 I C 1.292 177.374 176.117 -0.058 0.000 1.085 28 I CA -0.049 61.098 61.300 -0.255 0.000 1.257 28 I CB 0.737 38.345 38.000 -0.654 0.000 1.430 28 I HN 0.276 8.486 8.210 -0.000 0.000 0.489 29 T N 2.510 117.051 114.554 -0.023 0.000 3.163 29 T HA 0.321 4.672 4.350 0.002 0.000 0.252 29 T C 0.613 175.345 174.700 0.053 0.000 1.056 29 T CA -0.275 61.836 62.100 0.017 0.000 0.947 29 T CB -0.130 68.738 68.868 -0.000 0.000 1.016 29 T HN 0.442 8.682 8.240 -0.000 0.000 0.554 30 R N 0.648 121.205 120.500 0.096 0.000 2.522 30 R HA 0.605 4.947 4.340 0.002 0.000 0.283 30 R C -1.480 175.025 176.300 0.343 0.000 1.074 30 R CA -0.454 55.755 56.100 0.182 0.000 0.925 30 R CB 2.278 32.613 30.300 0.058 0.000 1.205 30 R HN 0.292 8.562 8.270 -0.000 0.000 0.436 31 M N 2.483 122.306 119.600 0.372 0.000 2.501 31 M HA 0.523 5.004 4.480 0.002 0.000 0.293 31 M C -1.625 174.823 176.300 0.246 0.000 1.192 31 M CA -0.768 54.744 55.300 0.354 0.000 0.886 31 M CB 2.697 35.341 32.600 0.073 0.000 1.710 31 M HN 0.593 8.883 8.290 -0.000 0.000 0.457 32 R N 5.028 125.648 120.500 0.199 0.000 2.513 32 R HA 0.717 5.058 4.340 0.002 0.000 0.301 32 R C -1.575 174.670 176.300 -0.091 0.000 0.968 32 R CA -0.506 55.567 56.100 -0.045 0.000 0.872 32 R CB 1.404 31.578 30.300 -0.210 0.000 1.177 32 R HN 0.866 9.136 8.270 -0.000 0.000 0.444 33 I N 0.606 121.079 120.570 -0.163 0.000 2.646 33 I HA 0.382 4.553 4.170 0.002 0.000 0.299 33 I C -0.853 175.111 176.117 -0.255 0.000 1.036 33 I CA -1.047 60.175 61.300 -0.130 0.000 1.074 33 I CB 1.962 39.964 38.000 0.004 0.000 1.258 33 I HN 0.643 8.853 8.210 -0.000 0.000 0.430 34 Y N 2.432 122.772 120.300 0.066 0.000 2.495 34 Y HA 0.261 4.812 4.550 0.002 0.000 0.293 34 Y C 0.075 176.018 175.900 0.073 0.000 1.186 34 Y CA -0.355 57.782 58.100 0.061 0.000 1.266 34 Y CB -0.133 38.355 38.460 0.048 0.000 1.101 34 Y HN 0.674 8.954 8.280 -0.000 0.000 0.517 35 D N -2.131 118.374 120.400 0.175 0.000 2.742 35 D HA 0.047 4.688 4.640 0.002 0.000 0.262 35 D C -3.243 173.143 176.300 0.143 0.000 1.240 35 D CA -1.639 52.471 54.000 0.183 0.000 0.752 35 D CB 1.868 42.763 40.800 0.158 0.000 1.290 35 D HN -0.223 8.147 8.370 -0.000 0.000 0.420 36 P HA 0.071 4.491 4.420 -0.000 0.000 0.220 36 P C -0.182 177.114 177.300 -0.007 0.000 1.806 36 P CA -0.362 62.757 63.100 0.030 0.000 0.976 36 P CB -0.399 31.260 31.700 -0.069 0.000 1.952 37 N N 2.332 121.029 118.700 -0.004 0.000 2.438 37 N HA -0.042 4.699 4.740 0.002 0.000 0.267 37 N C 1.091 176.566 175.510 -0.058 0.000 1.222 37 N CA 0.205 53.245 53.050 -0.016 0.000 0.930 37 N CB 0.856 39.332 38.487 -0.019 0.000 1.083 37 N HN 0.125 8.505 8.380 -0.000 0.000 0.476 38 Q N 3.798 123.584 119.800 -0.023 0.000 2.030 38 Q HA -0.160 4.181 4.340 0.002 0.000 0.204 38 Q C 1.800 177.785 176.000 -0.024 0.000 0.986 38 Q CA 2.016 57.816 55.803 -0.005 0.000 0.843 38 Q CB -0.817 27.964 28.738 0.071 0.000 0.904 38 Q HN 0.818 9.088 8.270 -0.000 0.000 0.420 39 A N 0.470 123.289 122.820 -0.002 0.000 1.908 39 A HA -0.146 4.176 4.320 0.002 0.000 0.218 39 A C 2.473 180.045 177.584 -0.020 0.000 1.181 39 A CA 1.804 53.844 52.037 0.005 0.000 0.627 39 A CB -0.716 18.295 19.000 0.018 0.000 0.818 39 A HN 0.224 8.374 8.150 -0.000 0.000 0.445 40 V N -0.019 119.877 119.914 -0.030 0.000 2.427 40 V HA -0.220 3.902 4.120 0.002 0.000 0.248 40 V C 2.507 178.517 176.094 -0.140 0.000 1.051 40 V CA 1.750 64.033 62.300 -0.028 0.000 1.048 40 V CB -0.728 31.109 31.823 0.023 0.000 0.666 40 V HN 0.558 8.748 8.190 -0.000 0.000 0.456 41 L N -0.349 120.714 121.223 -0.266 0.000 2.093 41 L HA -0.164 4.178 4.340 0.002 0.000 0.208 41 L C 2.564 179.197 176.870 -0.395 0.000 1.085 41 L CA 1.585 56.099 54.840 -0.544 0.000 0.755 41 L CB -0.502 40.853 42.059 -1.174 0.000 0.904 41 L HN 0.407 8.637 8.230 -0.000 0.000 0.435 42 E N 0.093 120.200 120.200 -0.155 0.000 2.076 42 E HA -0.129 4.222 4.350 0.002 0.000 0.190 42 E C 2.306 178.902 176.600 -0.005 0.000 0.979 42 E CA 0.942 57.374 56.400 0.055 0.000 0.807 42 E CB -0.130 29.643 29.700 0.122 0.000 0.761 42 E HN 0.451 8.811 8.360 -0.000 0.000 0.454 43 A N 1.077 123.873 122.820 -0.040 0.000 2.019 43 A HA -0.122 4.199 4.320 0.002 0.000 0.219 43 A C 2.067 179.603 177.584 -0.080 0.000 1.164 43 A CA 0.948 52.957 52.037 -0.047 0.000 0.644 43 A CB -0.422 18.552 19.000 -0.044 0.000 0.805 43 A HN 0.144 8.294 8.150 -0.000 0.000 0.449 44 L N -0.652 120.500 121.223 -0.118 0.000 2.492 44 L HA 0.025 4.366 4.340 0.002 0.000 0.223 44 L C 0.572 177.369 176.870 -0.121 0.000 1.132 44 L CA -0.180 54.572 54.840 -0.147 0.000 0.850 44 L CB -0.144 41.789 42.059 -0.209 0.000 0.966 44 L HN 0.270 8.500 8.230 -0.000 0.000 0.454 45 R N 0.794 121.249 120.500 -0.076 0.000 2.488 45 R HA 0.114 4.455 4.340 0.002 0.000 0.317 45 R C 1.159 177.427 176.300 -0.054 0.000 0.941 45 R CA 0.764 56.839 56.100 -0.042 0.000 1.076 45 R CB -0.315 30.001 30.300 0.028 0.000 0.917 45 R HN 0.325 8.595 8.270 -0.000 0.000 0.407 46 G N 1.512 110.268 108.800 -0.073 0.000 2.176 46 G HA2 -0.367 3.594 3.960 0.002 0.000 0.253 46 G HA3 -0.367 3.594 3.960 0.002 0.000 0.253 46 G C 0.927 175.786 174.900 -0.068 0.000 0.979 46 G CA 0.511 45.570 45.100 -0.068 0.000 0.641 46 G HN 0.666 8.956 8.290 -0.000 0.000 0.530 47 S N 0.128 115.781 115.700 -0.078 0.000 2.436 47 S HA 0.037 4.508 4.470 0.002 0.000 0.228 47 S C 1.370 175.931 174.600 -0.065 0.000 1.014 47 S CA 1.207 59.365 58.200 -0.070 0.000 0.950 47 S CB -0.180 62.969 63.200 -0.085 0.000 0.784 47 S HN 1.032 9.342 8.310 -0.000 0.000 0.504 48 N N 0.699 119.349 118.700 -0.083 0.000 2.776 48 N HA -0.108 4.633 4.740 0.002 0.000 0.250 48 N C -1.047 174.429 175.510 -0.056 0.000 1.112 48 N CA 0.822 53.827 53.050 -0.074 0.000 0.733 48 N CB -1.697 36.755 38.487 -0.058 0.000 1.097 48 N HN 0.586 8.966 8.380 -0.000 0.000 0.558 49 I N 1.681 122.213 120.570 -0.064 0.000 2.312 49 I HA 0.062 4.233 4.170 0.002 0.000 0.291 49 I C 0.818 176.914 176.117 -0.036 0.000 1.031 49 I CA -0.268 61.014 61.300 -0.030 0.000 1.293 49 I CB 0.646 38.624 38.000 -0.037 0.000 1.403 49 I HN -0.074 8.136 8.210 -0.000 0.000 0.484 50 E N 5.663 125.868 120.200 0.009 0.000 2.452 50 E HA 0.129 4.480 4.350 0.002 0.000 0.261 50 E C -0.763 175.877 176.600 0.067 0.000 0.987 50 E CA -0.136 56.278 56.400 0.023 0.000 0.926 50 E CB 1.001 30.732 29.700 0.052 0.000 0.934 50 E HN 0.255 8.615 8.360 -0.000 0.000 0.452 51 L N 4.144 125.388 121.223 0.034 0.000 2.346 51 L HA 0.439 4.780 4.340 0.002 0.000 0.274 51 L C -1.120 175.835 176.870 0.141 0.000 1.007 51 L CA -0.413 54.466 54.840 0.065 0.000 0.818 51 L CB 1.508 43.538 42.059 -0.048 0.000 1.284 51 L HN 0.489 8.719 8.230 -0.000 0.000 0.424 52 I N 5.747 126.376 120.570 0.098 0.000 2.337 52 I HA 0.228 4.400 4.170 0.002 0.000 0.285 52 I C -0.817 175.351 176.117 0.084 0.000 1.041 52 I CA -0.736 60.612 61.300 0.080 0.000 1.199 52 I CB 1.444 39.363 38.000 -0.135 0.000 1.370 52 I HN 0.438 8.648 8.210 -0.000 0.000 0.470 53 L N 6.964 128.306 121.223 0.198 0.000 2.305 53 L HA 0.596 4.937 4.340 0.002 0.000 0.281 53 L C 0.393 177.368 176.870 0.174 0.000 1.085 53 L CA 0.251 55.221 54.840 0.216 0.000 0.813 53 L CB 1.115 43.352 42.059 0.296 0.000 1.157 53 L HN 0.516 8.746 8.230 -0.000 0.000 0.436 54 G N 4.637 113.524 108.800 0.144 0.000 2.371 54 G HA2 0.550 4.511 3.960 0.002 0.000 0.326 54 G HA3 0.550 4.511 3.960 0.002 0.000 0.326 54 G C -1.227 173.798 174.900 0.209 0.000 1.127 54 G CA -0.531 44.641 45.100 0.121 0.000 0.885 54 G HN 0.532 8.822 8.290 -0.000 0.000 0.477 55 V N 4.077 124.032 119.914 0.069 0.000 2.364 55 V HA 0.249 4.370 4.120 0.002 0.000 0.272 55 V C -1.929 174.158 176.094 -0.013 0.000 1.036 55 V CA -1.556 60.700 62.300 -0.072 0.000 0.880 55 V CB 1.566 33.163 31.823 -0.376 0.000 0.991 55 V HN 0.557 8.747 8.190 -0.000 0.000 0.460 56 P HA 0.138 4.558 4.420 -0.000 0.000 0.265 56 P C 0.534 177.827 177.300 -0.013 0.000 1.193 56 P CA 0.031 63.160 63.100 0.048 0.000 0.765 56 P CB 0.500 32.248 31.700 0.080 0.000 0.823 57 N N 1.022 119.715 118.700 -0.012 0.000 2.258 57 N HA -0.150 4.591 4.740 0.002 0.000 0.187 57 N C 1.481 176.972 175.510 -0.032 0.000 1.012 57 N CA 1.611 54.631 53.050 -0.051 0.000 0.870 57 N CB -0.579 37.861 38.487 -0.078 0.000 0.977 57 N HN 0.455 8.835 8.380 -0.000 0.000 0.434 58 S N -0.885 114.826 115.700 0.018 0.000 2.561 58 S HA 0.038 4.510 4.470 0.002 0.000 0.225 58 S C 0.826 175.430 174.600 0.007 0.000 0.977 58 S CA 0.466 58.700 58.200 0.057 0.000 0.926 58 S CB 0.223 63.472 63.200 0.082 0.000 0.769 58 S HN 0.047 8.357 8.310 -0.000 0.000 0.533 59 D N 0.865 121.238 120.400 -0.045 0.000 2.407 59 D HA 0.304 4.945 4.640 0.002 0.000 0.208 59 D C 1.687 177.869 176.300 -0.197 0.000 1.083 59 D CA -0.007 53.932 54.000 -0.101 0.000 0.844 59 D CB -0.012 40.729 40.800 -0.098 0.000 0.967 59 D HN 0.329 8.699 8.370 -0.000 0.000 0.506 60 L N 0.749 121.862 121.223 -0.184 0.000 2.013 60 L HA -0.265 4.076 4.340 0.002 0.000 0.212 60 L C 2.605 179.251 176.870 -0.372 0.000 1.073 60 L CA 1.527 56.242 54.840 -0.208 0.000 0.753 60 L CB -0.383 41.638 42.059 -0.064 0.000 0.890 60 L HN 0.077 8.307 8.230 -0.000 0.000 0.432 61 Q N -0.308 119.093 119.800 -0.666 0.000 2.030 61 Q HA -0.279 4.062 4.340 0.002 0.000 0.204 61 Q C 2.392 178.056 176.000 -0.560 0.000 0.986 61 Q CA 2.422 57.494 55.803 -1.218 0.000 0.843 61 Q CB -0.175 27.821 28.738 -1.236 0.000 0.904 61 Q HN 0.407 8.677 8.270 -0.000 0.000 0.420 62 S N -0.381 115.113 115.700 -0.343 0.000 2.387 62 S HA -0.155 4.316 4.470 0.002 0.000 0.230 62 S C 1.663 176.157 174.600 -0.176 0.000 1.035 62 S CA 1.139 59.219 58.200 -0.199 0.000 1.014 62 S CB -0.169 62.956 63.200 -0.124 0.000 0.836 62 S HN 0.429 8.739 8.310 -0.000 0.000 0.466 63 L N 2.060 123.151 121.223 -0.220 0.000 2.599 63 L HA 0.148 4.489 4.340 0.002 0.000 0.230 63 L C 2.539 179.315 176.870 -0.156 0.000 1.141 63 L CA 1.514 56.234 54.840 -0.200 0.000 0.877 63 L CB -1.119 40.750 42.059 -0.316 0.000 1.009 63 L HN 0.642 8.872 8.230 -0.000 0.000 0.447 64 T N -3.646 110.809 114.554 -0.165 0.000 3.035 64 T HA -0.074 4.278 4.350 0.002 0.000 0.268 64 T C 1.101 175.760 174.700 -0.068 0.000 1.109 64 T CA 0.130 62.170 62.100 -0.099 0.000 1.119 64 T CB -0.427 68.398 68.868 -0.072 0.000 0.900 64 T HN 0.218 8.458 8.240 -0.000 0.000 0.503 65 N N 2.435 121.090 118.700 -0.076 0.000 2.444 65 N HA 0.201 4.942 4.740 0.002 0.000 0.271 65 N C -2.142 173.347 175.510 -0.034 0.000 1.069 65 N CA -2.272 50.751 53.050 -0.045 0.000 0.965 65 N CB 1.903 40.365 38.487 -0.042 0.000 1.092 65 N HN -0.058 8.322 8.380 -0.000 0.000 0.476 66 P HA -0.137 4.283 4.420 -0.000 0.000 0.215 66 P C 1.427 178.726 177.300 -0.003 0.000 1.153 66 P CA 1.193 64.285 63.100 -0.013 0.000 0.853 66 P CB 0.229 31.924 31.700 -0.009 0.000 0.788 67 S N -0.979 114.720 115.700 -0.002 0.000 2.356 67 S HA -0.166 4.305 4.470 0.002 0.000 0.223 67 S C 1.955 176.566 174.600 0.018 0.000 1.032 67 S CA 1.487 59.691 58.200 0.006 0.000 1.005 67 S CB -1.145 62.057 63.200 0.003 0.000 0.867 67 S HN 0.004 8.314 8.310 -0.000 0.000 0.449 68 N N 1.706 120.413 118.700 0.012 0.000 2.205 68 N HA 0.002 4.743 4.740 0.002 0.000 0.186 68 N C 1.765 177.313 175.510 0.063 0.000 1.015 68 N CA 1.372 54.439 53.050 0.027 0.000 0.862 68 N CB -0.764 37.720 38.487 -0.004 0.000 0.986 68 N HN 0.561 8.941 8.380 -0.000 0.000 0.429 69 A N 0.879 123.719 122.820 0.035 0.000 1.930 69 A HA -0.078 4.243 4.320 0.002 0.000 0.215 69 A C 2.133 179.791 177.584 0.123 0.000 1.176 69 A CA 1.151 53.224 52.037 0.060 0.000 0.632 69 A CB -0.348 18.646 19.000 -0.011 0.000 0.819 69 A HN 0.269 8.419 8.150 -0.000 0.000 0.445 70 K N -0.199 120.242 120.400 0.068 0.000 2.097 70 K HA -0.127 4.194 4.320 0.002 0.000 0.206 70 K C 2.172 178.814 176.600 0.070 0.000 1.049 70 K CA 1.620 57.939 56.287 0.054 0.000 0.933 70 K CB -0.213 32.299 32.500 0.020 0.000 0.717 70 K HN 0.370 8.620 8.250 -0.000 0.000 0.442 71 S N -0.195 115.554 115.700 0.081 0.000 2.402 71 S HA -0.151 4.320 4.470 0.002 0.000 0.229 71 S C 1.497 176.162 174.600 0.109 0.000 1.021 71 S CA 0.978 59.222 58.200 0.074 0.000 0.974 71 S CB -0.344 62.895 63.200 0.065 0.000 0.800 71 S HN 0.603 8.913 8.310 -0.000 0.000 0.484 72 W N 1.469 122.758 121.300 -0.018 0.000 2.379 72 W HA -0.059 4.602 4.660 0.002 0.000 0.307 72 W C 2.038 178.545 176.519 -0.020 0.000 1.200 72 W CA 1.262 58.599 57.345 -0.013 0.000 1.297 72 W CB -0.584 28.864 29.460 -0.021 0.000 1.140 72 W HN 0.061 8.241 8.180 -0.000 0.000 0.507 73 V N 0.591 120.629 119.914 0.206 0.000 2.295 73 V HA -0.347 3.774 4.120 0.002 0.000 0.246 73 V C 2.295 178.338 176.094 -0.085 0.000 1.049 73 V CA 2.343 64.666 62.300 0.038 0.000 1.024 73 V CB -1.192 30.677 31.823 0.077 0.000 0.648 73 V HN 0.255 8.445 8.190 -0.000 0.000 0.447 74 Q N 0.882 120.655 119.800 -0.045 0.000 2.045 74 Q HA -0.263 4.078 4.340 0.002 0.000 0.206 74 Q C 2.250 178.202 176.000 -0.081 0.000 0.991 74 Q CA 2.485 58.254 55.803 -0.056 0.000 0.851 74 Q CB -0.401 28.317 28.738 -0.034 0.000 0.911 74 Q HN 0.606 8.876 8.270 -0.000 0.000 0.418 75 K N -0.897 119.440 120.400 -0.105 0.000 2.031 75 K HA -0.087 4.234 4.320 0.002 0.000 0.205 75 K C 1.740 178.287 176.600 -0.088 0.000 1.049 75 K CA 1.328 57.550 56.287 -0.108 0.000 0.939 75 K CB -0.071 32.364 32.500 -0.108 0.000 0.717 75 K HN 0.267 8.517 8.250 -0.000 0.000 0.438 76 N N 0.240 118.754 118.700 -0.310 0.000 2.135 76 N HA -0.104 4.637 4.740 0.002 0.000 0.186 76 N C 1.858 177.335 175.510 -0.055 0.000 1.027 76 N CA 1.227 54.082 53.050 -0.324 0.000 0.849 76 N CB 0.056 37.916 38.487 -1.044 0.000 1.002 76 N HN 0.040 8.420 8.380 -0.000 0.000 0.425 77 V N 1.227 120.983 119.914 -0.265 0.000 2.490 77 V HA 0.070 4.191 4.120 0.002 0.000 0.238 77 V C 2.210 178.340 176.094 0.060 0.000 1.056 77 V CA 0.696 62.791 62.300 -0.342 0.000 1.075 77 V CB -0.198 31.329 31.823 -0.494 0.000 0.746 77 V HN 0.111 8.301 8.190 -0.000 0.000 0.479 78 R N 0.607 121.105 120.500 -0.003 0.000 2.152 78 R HA -0.070 4.272 4.340 0.002 0.000 0.232 78 R C 2.177 178.537 176.300 0.099 0.000 1.117 78 R CA 1.258 57.391 56.100 0.055 0.000 0.981 78 R CB -0.566 29.713 30.300 -0.035 0.000 0.870 78 R HN 0.576 8.846 8.270 -0.000 0.000 0.451 79 G N -0.921 107.881 108.800 0.004 0.000 2.598 79 G HA2 -0.148 3.813 3.960 0.002 0.000 0.215 79 G HA3 -0.148 3.813 3.960 0.002 0.000 0.215 79 G C 0.799 175.457 174.900 -0.404 0.000 1.131 79 G CA 0.320 45.271 45.100 -0.249 0.000 0.785 79 G HN 0.217 8.507 8.290 -0.000 0.000 0.539 80 F N -3.231 116.858 119.950 0.232 0.000 2.834 80 F HA 0.285 4.813 4.527 0.002 0.000 0.332 80 F C 1.720 177.687 175.800 0.279 0.000 1.056 80 F CA -1.625 56.513 58.000 0.230 0.000 1.178 80 F CB -0.128 39.034 39.000 0.270 0.000 1.037 80 F HN 0.165 8.465 8.300 -0.000 0.000 0.580 81 W N 2.406 123.945 121.300 0.398 0.000 2.290 81 W HA -0.354 4.307 4.660 0.002 0.000 0.311 81 W C 2.640 179.241 176.519 0.137 0.000 1.238 81 W CA 2.897 60.422 57.345 0.300 0.000 1.255 81 W CB -0.568 29.024 29.460 0.220 0.000 1.145 81 W HN 0.108 8.288 8.180 -0.000 0.000 0.506 82 S N -0.791 114.904 115.700 -0.008 0.000 2.400 82 S HA -0.241 4.231 4.470 0.002 0.000 0.232 82 S C 1.797 176.251 174.600 -0.244 0.000 1.025 82 S CA 2.027 60.070 58.200 -0.260 0.000 0.993 82 S CB -1.075 62.079 63.200 -0.076 0.000 0.808 82 S HN 0.403 8.713 8.310 -0.000 0.000 0.478 83 S N -0.480 115.153 115.700 -0.111 0.000 2.575 83 S HA 0.367 4.838 4.470 0.002 0.000 0.230 83 S C 0.277 174.795 174.600 -0.136 0.000 1.062 83 S CA -0.267 57.872 58.200 -0.102 0.000 0.913 83 S CB -0.071 63.113 63.200 -0.026 0.000 0.837 83 S HN 0.255 8.565 8.310 -0.000 0.000 0.487 84 V N 3.924 123.746 119.914 -0.154 0.000 2.407 84 V HA 0.457 4.578 4.120 0.002 0.000 0.278 84 V C 0.069 175.904 176.094 -0.433 0.000 1.037 84 V CA -0.712 61.364 62.300 -0.373 0.000 0.900 84 V CB 1.208 32.635 31.823 -0.660 0.000 0.983 84 V HN 0.318 8.508 8.190 -0.000 0.000 0.459 85 R N 4.191 124.485 120.500 -0.343 0.000 3.710 85 R HA 0.233 4.574 4.340 0.002 0.000 0.201 85 R C -0.713 175.506 176.300 -0.135 0.000 1.641 85 R CA -0.182 55.805 56.100 -0.189 0.000 1.390 85 R CB -0.584 29.644 30.300 -0.120 0.000 1.341 85 R HN 0.446 8.716 8.270 -0.000 0.000 0.728 86 F N 1.171 121.173 119.950 0.087 0.000 2.571 86 F HA 0.041 4.569 4.527 0.002 0.000 0.384 86 F C 1.917 177.741 175.800 0.040 0.000 1.058 86 F CA 0.342 58.395 58.000 0.088 0.000 1.200 86 F CB 0.518 39.612 39.000 0.157 0.000 1.077 86 F HN 0.234 8.534 8.300 -0.000 0.000 0.558 87 R N 2.016 122.605 120.500 0.149 0.000 2.194 87 R HA 0.181 4.522 4.340 0.002 0.000 0.194 87 R C -0.878 175.258 176.300 -0.273 0.000 0.985 87 R CA 0.444 56.463 56.100 -0.136 0.000 1.104 87 R CB 0.460 30.586 30.300 -0.289 0.000 1.092 87 R HN 0.531 8.801 8.270 -0.000 0.000 0.555 88 Y N -0.265 120.131 120.300 0.159 0.000 2.504 88 Y HA 0.450 5.001 4.550 0.002 0.000 0.344 88 Y C -0.706 175.257 175.900 0.103 0.000 1.023 88 Y CA -0.997 57.167 58.100 0.106 0.000 1.020 88 Y CB 1.779 40.270 38.460 0.051 0.000 1.282 88 Y HN -0.106 8.174 8.280 -0.000 0.000 0.454 89 I N 2.677 123.405 120.570 0.263 0.000 2.339 89 I HA 0.560 4.731 4.170 0.002 0.000 0.290 89 I C -0.278 175.914 176.117 0.124 0.000 0.994 89 I CA -0.867 60.547 61.300 0.189 0.000 1.191 89 I CB 1.408 39.516 38.000 0.179 0.000 1.343 89 I HN 0.790 9.000 8.210 -0.000 0.000 0.458 90 A N 7.277 130.145 122.820 0.081 0.000 2.478 90 A HA 0.448 4.769 4.320 0.002 0.000 0.327 90 A C -0.097 177.484 177.584 -0.005 0.000 1.431 90 A CA -0.391 51.658 52.037 0.019 0.000 1.014 90 A CB -0.067 18.923 19.000 -0.016 0.000 1.143 90 A HN 0.495 8.645 8.150 -0.000 0.000 0.532 91 V N 2.843 122.739 119.914 -0.030 0.000 2.287 91 V HA 0.520 4.642 4.120 0.002 0.000 0.246 91 V C 0.970 177.023 176.094 -0.067 0.000 1.165 91 V CA 0.899 63.145 62.300 -0.089 0.000 1.088 91 V CB -1.168 30.591 31.823 -0.108 0.000 1.242 91 V HN 1.601 9.791 8.190 -0.000 0.000 0.497 92 G N 3.666 112.434 108.800 -0.054 0.000 2.784 92 G HA2 -0.101 3.860 3.960 0.002 0.000 0.686 92 G HA3 -0.101 3.860 3.960 0.002 0.000 0.686 92 G C -0.998 173.895 174.900 -0.012 0.000 1.156 92 G CA -0.550 44.526 45.100 -0.039 0.000 0.757 92 G HN 0.857 9.147 8.290 -0.000 0.000 0.642 93 N N 0.607 119.301 118.700 -0.011 0.000 2.352 93 N HA 0.530 5.271 4.740 0.002 0.000 0.291 93 N C 0.359 175.847 175.510 -0.037 0.000 1.040 93 N CA -0.017 53.037 53.050 0.006 0.000 0.864 93 N CB 1.113 39.643 38.487 0.071 0.000 1.440 93 N HN 0.829 9.209 8.380 -0.000 0.000 0.483 94 E N 1.439 121.618 120.200 -0.036 0.000 2.297 94 E HA -0.232 4.119 4.350 0.002 0.000 0.228 94 E C -0.642 175.899 176.600 -0.097 0.000 1.213 94 E CA 0.514 56.879 56.400 -0.059 0.000 0.712 94 E CB -1.144 28.513 29.700 -0.071 0.000 1.202 94 E HN 0.552 8.912 8.360 -0.000 0.000 0.376 95 I N 0.835 121.346 120.570 -0.097 0.000 2.353 95 I HA 0.206 4.377 4.170 0.002 0.000 0.293 95 I C 0.461 176.417 176.117 -0.269 0.000 0.992 95 I CA -0.176 61.016 61.300 -0.180 0.000 1.268 95 I CB 1.666 39.575 38.000 -0.151 0.000 1.387 95 I HN 0.019 8.229 8.210 -0.000 0.000 0.478 96 S N 7.360 122.846 115.700 -0.357 0.000 2.538 96 S HA 0.514 4.985 4.470 0.002 0.000 0.288 96 S C -2.041 172.258 174.600 -0.502 0.000 1.108 96 S CA -1.536 56.404 58.200 -0.433 0.000 0.971 96 S CB 1.910 64.965 63.200 -0.241 0.000 1.041 96 S HN 0.423 8.733 8.310 -0.000 0.000 0.483 97 P HA 0.056 4.476 4.420 -0.000 0.000 0.242 97 P C 0.902 178.058 177.300 -0.240 0.000 1.197 97 P CA 0.571 63.407 63.100 -0.440 0.000 0.765 97 P CB -0.080 31.361 31.700 -0.431 0.000 0.936 98 V N -5.448 114.347 119.914 -0.199 0.000 3.562 98 V HA 0.327 4.448 4.120 0.002 0.000 0.270 98 V C 0.444 176.483 176.094 -0.092 0.000 1.418 98 V CA -0.297 61.932 62.300 -0.117 0.000 1.033 98 V CB -0.836 30.935 31.823 -0.087 0.000 0.820 98 V HN -0.117 8.073 8.190 -0.000 0.000 0.441 99 N N 2.182 120.813 118.700 -0.115 0.000 2.513 99 N HA 0.244 4.985 4.740 0.002 0.000 0.268 99 N C 1.054 176.533 175.510 -0.052 0.000 1.180 99 N CA 0.236 53.237 53.050 -0.082 0.000 0.948 99 N CB 1.476 39.904 38.487 -0.099 0.000 1.083 99 N HN 0.368 8.748 8.380 -0.000 0.000 0.455 100 R N 2.176 122.670 120.500 -0.010 0.000 2.103 100 R HA -0.156 4.185 4.340 0.002 0.000 0.242 100 R C 1.809 178.183 176.300 0.123 0.000 1.142 100 R CA 1.982 58.111 56.100 0.048 0.000 0.960 100 R CB -0.555 29.766 30.300 0.035 0.000 0.858 100 R HN 0.734 9.004 8.270 -0.000 0.000 0.439 101 G N -1.159 107.685 108.800 0.074 0.000 2.442 101 G HA2 -0.282 3.679 3.960 0.002 0.000 0.219 101 G HA3 -0.282 3.679 3.960 0.002 0.000 0.219 101 G C 1.216 176.171 174.900 0.091 0.000 1.141 101 G CA 1.441 46.617 45.100 0.127 0.000 0.763 101 G HN 0.563 8.853 8.290 -0.000 0.000 0.554 102 T N -3.683 110.767 114.554 -0.173 0.000 3.111 102 T HA 0.617 4.968 4.350 0.002 0.000 0.284 102 T C 2.060 176.381 174.700 -0.630 0.000 0.983 102 T CA 1.006 62.765 62.100 -0.569 0.000 0.900 102 T CB 0.638 69.259 68.868 -0.412 0.000 1.132 102 T HN 0.282 8.522 8.240 -0.000 0.000 0.531 103 A N 2.352 124.975 122.820 -0.329 0.000 1.917 103 A HA -0.057 4.264 4.320 0.002 0.000 0.219 103 A C 2.024 179.461 177.584 -0.245 0.000 1.182 103 A CA 1.550 53.448 52.037 -0.232 0.000 0.633 103 A CB -1.290 17.677 19.000 -0.055 0.000 0.819 103 A HN 0.910 9.060 8.150 -0.000 0.000 0.448 104 W N -0.984 120.232 121.300 -0.140 0.000 3.096 104 W HA 0.266 4.928 4.660 0.002 0.000 0.241 104 W C 0.583 176.967 176.519 -0.226 0.000 1.316 104 W CA 0.173 57.422 57.345 -0.160 0.000 1.520 104 W CB -1.003 28.412 29.460 -0.076 0.000 1.128 104 W HN 0.275 8.455 8.180 -0.000 0.000 0.707 105 L N 0.477 121.305 121.223 -0.658 0.000 2.749 105 L HA 0.246 4.588 4.340 0.002 0.000 0.242 105 L C 2.674 179.315 176.870 -0.381 0.000 1.103 105 L CA 0.590 55.130 54.840 -0.500 0.000 0.906 105 L CB -0.666 41.041 42.059 -0.587 0.000 1.228 105 L HN -0.137 8.093 8.230 -0.000 0.000 0.517 106 A N 1.356 123.938 122.820 -0.398 0.000 1.927 106 A HA -0.290 4.031 4.320 0.002 0.000 0.220 106 A C 2.163 179.702 177.584 -0.075 0.000 1.185 106 A CA 2.303 54.176 52.037 -0.273 0.000 0.639 106 A CB -0.554 18.174 19.000 -0.454 0.000 0.820 106 A HN 0.660 8.810 8.150 -0.000 0.000 0.451 107 Q N -2.258 117.375 119.800 -0.278 0.000 2.488 107 Q HA -0.009 4.332 4.340 0.002 0.000 0.211 107 Q C 1.108 177.025 176.000 -0.137 0.000 0.967 107 Q CA 0.917 56.591 55.803 -0.216 0.000 0.926 107 Q CB -0.301 28.267 28.738 -0.283 0.000 0.992 107 Q HN 0.587 8.857 8.270 -0.000 0.000 0.506 108 F N 0.332 120.258 119.950 -0.040 0.000 2.619 108 F HA 0.076 4.604 4.527 0.002 0.000 0.293 108 F C 2.085 177.829 175.800 -0.092 0.000 1.119 108 F CA -0.541 57.419 58.000 -0.068 0.000 1.445 108 F CB -0.389 38.563 39.000 -0.079 0.000 1.119 108 F HN -0.133 8.167 8.300 -0.000 0.000 0.573 109 V N 0.357 120.330 119.914 0.098 0.000 2.220 109 V HA -0.299 3.822 4.120 0.002 0.000 0.246 109 V C 2.461 178.486 176.094 -0.114 0.000 1.049 109 V CA 1.876 64.178 62.300 0.003 0.000 1.003 109 V CB -0.888 30.972 31.823 0.061 0.000 0.634 109 V HN 0.270 8.460 8.190 -0.000 0.000 0.444 110 L N 0.980 122.095 121.223 -0.181 0.000 2.083 110 L HA -0.047 4.294 4.340 0.002 0.000 0.209 110 L C -0.157 176.525 176.870 -0.313 0.000 1.083 110 L CA 2.359 57.008 54.840 -0.318 0.000 0.752 110 L CB -1.791 40.075 42.059 -0.322 0.000 0.899 110 L HN 0.262 8.492 8.230 -0.000 0.000 0.433 111 P HA -0.064 4.356 4.420 -0.000 0.000 0.217 111 P C 1.594 178.814 177.300 -0.132 0.000 1.151 111 P CA 1.760 64.781 63.100 -0.131 0.000 0.828 111 P CB -0.124 31.554 31.700 -0.037 0.000 0.788 112 A N -0.704 122.046 122.820 -0.117 0.000 1.877 112 A HA -0.217 4.104 4.320 0.002 0.000 0.216 112 A C 2.190 179.686 177.584 -0.146 0.000 1.186 112 A CA 1.956 53.910 52.037 -0.137 0.000 0.620 112 A CB -1.523 17.390 19.000 -0.146 0.000 0.822 112 A HN 0.093 8.243 8.150 -0.000 0.000 0.443 113 M N -1.268 118.223 119.600 -0.183 0.000 2.117 113 M HA -0.171 4.310 4.480 0.002 0.000 0.262 113 M C 2.433 178.663 176.300 -0.117 0.000 1.065 113 M CA 1.604 56.812 55.300 -0.154 0.000 1.114 113 M CB -0.312 32.126 32.600 -0.270 0.000 1.361 113 M HN 0.354 8.644 8.290 -0.000 0.000 0.408 114 R N 0.070 120.386 120.500 -0.308 0.000 2.066 114 R HA -0.097 4.244 4.340 0.002 0.000 0.232 114 R C 1.969 178.303 176.300 0.057 0.000 1.131 114 R CA 1.375 57.410 56.100 -0.108 0.000 0.955 114 R CB -0.459 29.737 30.300 -0.174 0.000 0.851 114 R HN 0.420 8.690 8.270 -0.000 0.000 0.432 115 N N 0.701 119.391 118.700 -0.017 0.000 2.120 115 N HA -0.135 4.606 4.740 0.002 0.000 0.188 115 N C 1.768 177.291 175.510 0.023 0.000 1.024 115 N CA 1.091 54.140 53.050 -0.003 0.000 0.852 115 N CB -0.171 38.295 38.487 -0.035 0.000 1.003 115 N HN 0.135 8.515 8.380 -0.000 0.000 0.424 116 I N 0.817 121.402 120.570 0.026 0.000 2.202 116 I HA -0.224 3.947 4.170 0.002 0.000 0.242 116 I C 2.326 178.511 176.117 0.112 0.000 1.091 116 I CA 1.256 62.592 61.300 0.060 0.000 1.368 116 I CB -1.439 36.577 38.000 0.027 0.000 1.058 116 I HN 0.232 8.442 8.210 -0.000 0.000 0.410 117 H N 1.645 120.780 119.070 0.108 0.000 2.352 117 H HA -0.178 4.379 4.556 0.002 0.000 0.299 117 H C 1.747 177.124 175.328 0.082 0.000 1.097 117 H CA 2.092 58.222 56.048 0.136 0.000 1.311 117 H CB -0.094 29.845 29.762 0.294 0.000 1.377 117 H HN 0.237 8.517 8.280 -0.000 0.000 0.504 118 D N 0.384 120.728 120.400 -0.093 0.000 2.092 118 D HA -0.169 4.472 4.640 0.002 0.000 0.193 118 D C 2.323 178.531 176.300 -0.154 0.000 0.994 118 D CA 1.667 55.571 54.000 -0.159 0.000 0.828 118 D CB -0.851 39.933 40.800 -0.027 0.000 0.963 118 D HN 0.560 8.930 8.370 -0.000 0.000 0.450 119 A N 1.195 123.970 122.820 -0.075 0.000 1.908 119 A HA -0.184 4.137 4.320 0.002 0.000 0.218 119 A C 2.239 179.764 177.584 -0.097 0.000 1.181 119 A CA 1.101 53.103 52.037 -0.059 0.000 0.627 119 A CB -0.589 18.409 19.000 -0.003 0.000 0.818 119 A HN 0.139 8.289 8.150 -0.000 0.000 0.445 120 I N -0.388 120.120 120.570 -0.103 0.000 2.179 120 I HA -0.218 3.954 4.170 0.002 0.000 0.242 120 I C 2.556 178.568 176.117 -0.175 0.000 1.088 120 I CA 1.876 63.103 61.300 -0.122 0.000 1.357 120 I CB -1.285 36.683 38.000 -0.053 0.000 1.051 120 I HN 0.457 8.667 8.210 -0.000 0.000 0.409 121 R N 0.521 120.864 120.500 -0.261 0.000 2.105 121 R HA -0.149 4.192 4.340 0.002 0.000 0.239 121 R C 2.457 178.660 176.300 -0.162 0.000 1.135 121 R CA 1.831 57.785 56.100 -0.244 0.000 0.967 121 R CB -0.013 30.059 30.300 -0.381 0.000 0.861 121 R HN 0.206 8.476 8.270 -0.000 0.000 0.442 122 S N -0.070 115.542 115.700 -0.147 0.000 2.383 122 S HA -0.055 4.417 4.470 0.002 0.000 0.227 122 S C 1.683 176.213 174.600 -0.116 0.000 1.026 122 S CA 1.084 59.219 58.200 -0.107 0.000 0.981 122 S CB 0.011 63.160 63.200 -0.085 0.000 0.818 122 S HN 0.558 8.868 8.310 -0.000 0.000 0.472 123 A N 0.284 123.017 122.820 -0.145 0.000 2.235 123 A HA 0.417 4.738 4.320 0.002 0.000 0.208 123 A C 1.531 178.978 177.584 -0.228 0.000 1.172 123 A CA 0.859 52.784 52.037 -0.186 0.000 0.786 123 A CB -0.918 17.949 19.000 -0.222 0.000 0.804 123 A HN 0.920 9.070 8.150 -0.000 0.000 0.479 124 G N -0.860 107.832 108.800 -0.180 0.000 2.246 124 G HA2 -0.220 3.741 3.960 0.002 0.000 0.273 124 G HA3 -0.220 3.741 3.960 0.002 0.000 0.273 124 G C 0.301 175.086 174.900 -0.192 0.000 1.055 124 G CA 0.477 45.483 45.100 -0.157 0.000 0.851 124 G HN 0.626 8.916 8.290 -0.000 0.000 0.500 125 L N 0.306 121.400 121.223 -0.215 0.000 2.965 125 L HA 0.160 4.501 4.340 0.002 0.000 0.254 125 L C 2.412 179.242 176.870 -0.066 0.000 1.220 125 L CA 0.302 55.019 54.840 -0.206 0.000 1.023 125 L CB 0.204 42.044 42.059 -0.365 0.000 1.355 125 L HN 0.467 8.697 8.230 -0.000 0.000 0.545 126 Q N -0.295 119.482 119.800 -0.038 0.000 2.291 126 Q HA -0.181 4.161 4.340 0.002 0.000 0.205 126 Q C 0.439 176.476 176.000 0.062 0.000 0.970 126 Q CA 1.432 57.258 55.803 0.038 0.000 0.876 126 Q CB -0.089 28.686 28.738 0.061 0.000 0.935 126 Q HN 0.444 8.714 8.270 -0.000 0.000 0.455 127 D N 0.123 120.551 120.400 0.047 0.000 2.354 127 D HA 0.001 4.642 4.640 0.002 0.000 0.209 127 D C 1.282 177.627 176.300 0.074 0.000 1.015 127 D CA 0.404 54.439 54.000 0.058 0.000 0.867 127 D CB 0.480 41.311 40.800 0.052 0.000 0.933 127 D HN 0.262 8.632 8.370 -0.000 0.000 0.520 128 Q N -0.126 119.727 119.800 0.089 0.000 2.387 128 Q HA 0.281 4.622 4.340 0.002 0.000 0.208 128 Q C 0.620 176.689 176.000 0.115 0.000 0.935 128 Q CA 0.549 56.429 55.803 0.128 0.000 0.891 128 Q CB 0.980 29.859 28.738 0.235 0.000 1.007 128 Q HN 0.175 8.445 8.270 -0.000 0.000 0.548 129 I N 1.993 122.630 120.570 0.110 0.000 2.328 129 I HA 0.248 4.419 4.170 0.002 0.000 0.287 129 I C -0.507 175.690 176.117 0.133 0.000 1.012 129 I CA -0.841 60.530 61.300 0.119 0.000 1.195 129 I CB 1.006 39.067 38.000 0.101 0.000 1.350 129 I HN -0.191 8.019 8.210 -0.000 0.000 0.464 130 K N 6.133 126.638 120.400 0.174 0.000 2.262 130 K HA 0.390 4.712 4.320 0.002 0.000 0.282 130 K C -0.482 176.267 176.600 0.249 0.000 1.066 130 K CA -0.594 55.834 56.287 0.235 0.000 0.901 130 K CB 1.897 34.615 32.500 0.363 0.000 1.089 130 K HN 0.292 8.542 8.250 -0.000 0.000 0.476 131 V N 2.186 122.209 119.914 0.182 0.000 2.530 131 V HA 0.301 4.422 4.120 0.002 0.000 0.282 131 V C 0.728 176.904 176.094 0.135 0.000 1.048 131 V CA 0.093 62.499 62.300 0.176 0.000 0.997 131 V CB 1.211 33.175 31.823 0.236 0.000 0.987 131 V HN 0.902 9.092 8.190 -0.000 0.000 0.477 132 S N 3.120 118.883 115.700 0.106 0.000 2.724 132 S HA 0.645 5.116 4.470 0.002 0.000 0.278 132 S C -0.800 173.811 174.600 0.018 0.000 1.190 132 S CA -0.069 58.163 58.200 0.053 0.000 0.860 132 S CB 2.089 65.276 63.200 -0.022 0.000 1.206 132 S HN 0.849 9.159 8.310 -0.000 0.000 0.507 133 T N 0.359 114.903 114.554 -0.016 0.000 2.903 133 T HA 0.743 5.094 4.350 0.002 0.000 0.299 133 T C -1.411 173.267 174.700 -0.037 0.000 1.093 133 T CA 0.031 62.116 62.100 -0.026 0.000 1.002 133 T CB 1.349 70.200 68.868 -0.028 0.000 1.127 133 T HN 1.167 9.407 8.240 -0.000 0.000 0.488 134 A N 4.162 126.965 122.820 -0.029 0.000 2.258 134 A HA 0.741 5.063 4.320 0.002 0.000 0.316 134 A C 0.107 177.682 177.584 -0.015 0.000 1.279 134 A CA -0.794 51.225 52.037 -0.030 0.000 0.876 134 A CB -0.281 18.705 19.000 -0.024 0.000 1.170 134 A HN 0.916 9.066 8.150 -0.000 0.000 0.520 135 I N -0.141 120.421 120.570 -0.014 0.000 2.793 135 I HA 0.788 4.959 4.170 0.002 0.000 0.313 135 I C -0.535 175.581 176.117 -0.002 0.000 0.998 135 I CA -0.997 60.301 61.300 -0.003 0.000 1.140 135 I CB 1.733 39.737 38.000 0.007 0.000 1.327 135 I HN 0.569 8.779 8.210 -0.000 0.000 0.491 136 D N 3.146 123.545 120.400 -0.002 0.000 2.326 136 D HA 0.297 4.938 4.640 0.002 0.000 0.248 136 D C 0.310 176.625 176.300 0.026 0.000 1.001 136 D CA -0.826 53.179 54.000 0.009 0.000 0.961 136 D CB 1.694 42.489 40.800 -0.009 0.000 1.183 136 D HN 0.661 9.031 8.370 -0.000 0.000 0.502 137 L N 0.275 121.518 121.223 0.034 0.000 2.675 137 L HA 0.013 4.354 4.340 0.002 0.000 0.239 137 L C 1.582 178.481 176.870 0.048 0.000 1.151 137 L CA 0.175 55.044 54.840 0.048 0.000 0.905 137 L CB -0.652 41.421 42.059 0.023 0.000 1.057 137 L HN 0.478 8.708 8.230 -0.000 0.000 0.435 138 T N 0.518 115.087 114.554 0.025 0.000 2.849 138 T HA -0.123 4.228 4.350 0.002 0.000 0.270 138 T C 1.893 176.614 174.700 0.035 0.000 1.066 138 T CA 1.178 63.283 62.100 0.009 0.000 1.130 138 T CB -0.110 68.742 68.868 -0.027 0.000 0.864 138 T HN 0.325 8.565 8.240 -0.000 0.000 0.481 139 L N 0.727 121.991 121.223 0.068 0.000 2.376 139 L HA 0.059 4.400 4.340 0.002 0.000 0.219 139 L C 0.589 177.618 176.870 0.264 0.000 1.133 139 L CA 0.248 55.160 54.840 0.121 0.000 0.816 139 L CB -0.359 41.752 42.059 0.086 0.000 0.933 139 L HN 0.064 8.294 8.230 -0.000 0.000 0.449 140 V N 0.798 120.838 119.914 0.211 0.000 2.408 140 V HA 0.174 4.296 4.120 0.002 0.000 0.267 140 V C 1.301 177.435 176.094 0.067 0.000 1.047 140 V CA 0.226 62.606 62.300 0.134 0.000 0.937 140 V CB 1.040 32.875 31.823 0.020 0.000 0.999 140 V HN 0.288 8.478 8.190 -0.000 0.000 0.472 141 G N 4.119 112.955 108.800 0.059 0.000 2.939 141 G HA2 0.046 4.007 3.960 0.002 0.000 0.210 141 G HA3 0.046 4.007 3.960 0.002 0.000 0.210 141 G C 0.396 175.307 174.900 0.018 0.000 1.160 141 G CA 0.094 45.216 45.100 0.037 0.000 0.770 141 G HN 0.663 8.953 8.290 -0.000 0.000 0.543 142 N N -0.980 117.720 118.700 0.000 0.000 2.554 142 N HA 0.276 5.018 4.740 0.002 0.000 0.271 142 N C 0.074 175.576 175.510 -0.014 0.000 1.081 142 N CA 0.052 53.104 53.050 0.004 0.000 0.994 142 N CB 1.448 39.936 38.487 0.002 0.000 1.641 142 N HN -0.086 8.294 8.380 -0.000 0.000 0.511 143 S N 1.593 117.305 115.700 0.020 0.000 2.787 143 S HA 0.211 4.682 4.470 0.002 0.000 0.255 143 S C -0.649 173.996 174.600 0.076 0.000 1.051 143 S CA -0.262 57.943 58.200 0.008 0.000 1.124 143 S CB -0.122 63.067 63.200 -0.018 0.000 1.104 143 S HN 0.510 8.820 8.310 -0.000 0.000 0.623 144 Y N 4.208 124.480 120.300 -0.046 0.000 2.331 144 Y HA 0.665 5.217 4.550 0.003 0.000 0.334 144 Y C -2.756 173.134 175.900 -0.017 0.000 0.960 144 Y CA -2.450 55.628 58.100 -0.036 0.000 1.130 144 Y CB 1.550 39.999 38.460 -0.019 0.000 1.164 144 Y HN 0.086 8.366 8.280 -0.000 0.000 0.458 145 P HA 0.271 4.691 4.420 -0.000 0.000 0.274 145 P C -2.492 174.722 177.300 -0.144 0.000 1.231 145 P CA -1.485 61.350 63.100 -0.442 0.000 0.790 145 P CB 1.349 32.820 31.700 -0.382 0.000 0.951 146 P HA -0.265 4.155 4.420 -0.000 0.000 0.219 146 P C 1.704 178.982 177.300 -0.036 0.000 1.153 146 P CA 2.310 65.327 63.100 -0.137 0.000 0.865 146 P CB -0.327 31.132 31.700 -0.401 0.000 0.788 147 S N -1.411 114.295 115.700 0.009 0.000 2.474 147 S HA -0.006 4.465 4.470 0.002 0.000 0.235 147 S C 1.784 176.377 174.600 -0.010 0.000 0.997 147 S CA 0.890 59.109 58.200 0.032 0.000 0.949 147 S CB -0.977 62.257 63.200 0.057 0.000 0.766 147 S HN 0.153 8.463 8.310 -0.000 0.000 0.517 148 A N 1.158 123.953 122.820 -0.041 0.000 2.307 148 A HA 0.587 4.908 4.320 0.002 0.000 0.218 148 A C 1.223 178.772 177.584 -0.058 0.000 1.228 148 A CA 0.049 52.058 52.037 -0.047 0.000 0.857 148 A CB -0.920 18.043 19.000 -0.061 0.000 0.897 148 A HN 0.612 8.762 8.150 -0.000 0.000 0.495 149 G N 0.028 108.785 108.800 -0.072 0.000 2.224 149 G HA2 0.470 4.431 3.960 0.002 0.000 0.239 149 G HA3 0.470 4.431 3.960 0.002 0.000 0.239 149 G C -0.019 174.777 174.900 -0.174 0.000 1.240 149 G CA 0.660 45.687 45.100 -0.122 0.000 0.896 149 G HN 1.207 9.497 8.290 -0.000 0.000 0.496 150 A N 2.086 124.785 122.820 -0.202 0.000 2.574 150 A HA 0.701 5.022 4.320 0.002 0.000 0.297 150 A C -0.946 176.520 177.584 -0.198 0.000 1.062 150 A CA -0.798 51.113 52.037 -0.209 0.000 0.686 150 A CB 1.060 20.017 19.000 -0.071 0.000 1.285 150 A HN 0.527 8.677 8.150 -0.000 0.000 0.403 151 F N 1.440 121.397 119.950 0.011 0.000 2.389 151 F HA 0.436 4.964 4.527 0.001 0.000 0.337 151 F C 1.409 177.215 175.800 0.009 0.000 1.112 151 F CA -0.026 57.981 58.000 0.010 0.000 1.192 151 F CB 0.824 39.834 39.000 0.017 0.000 1.185 151 F HN 0.556 8.856 8.300 -0.000 0.000 0.552 152 R N 2.349 122.976 120.500 0.212 0.000 2.583 152 R HA -0.065 4.277 4.340 0.002 0.000 0.274 152 R C 0.693 177.055 176.300 0.104 0.000 0.998 152 R CA -0.100 56.066 56.100 0.110 0.000 1.081 152 R CB 0.223 30.566 30.300 0.072 0.000 0.940 152 R HN 0.597 8.867 8.270 -0.000 0.000 0.413 153 D N 2.299 122.742 120.400 0.071 0.000 2.149 153 D HA -0.176 4.465 4.640 0.002 0.000 0.198 153 D C 1.051 177.377 176.300 0.043 0.000 0.990 153 D CA 1.611 55.646 54.000 0.059 0.000 0.839 153 D CB -0.187 40.637 40.800 0.039 0.000 0.948 153 D HN 0.644 9.014 8.370 -0.000 0.000 0.460 154 D N 0.332 120.749 120.400 0.029 0.000 2.358 154 D HA -0.094 4.547 4.640 0.002 0.000 0.241 154 D C 1.433 177.735 176.300 0.003 0.000 1.094 154 D CA 0.221 54.227 54.000 0.010 0.000 0.907 154 D CB -0.274 40.524 40.800 -0.004 0.000 0.893 154 D HN 0.286 8.656 8.370 -0.000 0.000 0.528 155 V N -4.445 115.483 119.914 0.023 0.000 3.398 155 V HA 0.341 4.462 4.120 0.002 0.000 0.298 155 V C 1.779 177.897 176.094 0.041 0.000 1.496 155 V CA -0.560 61.755 62.300 0.024 0.000 1.044 155 V CB 0.319 32.144 31.823 0.004 0.000 0.880 155 V HN -0.092 8.098 8.190 -0.000 0.000 0.443 156 R N 1.242 121.763 120.500 0.035 0.000 2.092 156 R HA 0.042 4.383 4.340 0.002 0.000 0.231 156 R C 2.286 178.589 176.300 0.006 0.000 1.119 156 R CA 1.524 57.636 56.100 0.020 0.000 0.970 156 R CB -0.948 29.380 30.300 0.046 0.000 0.864 156 R HN 0.592 8.862 8.270 -0.000 0.000 0.440 157 S N 0.518 116.231 115.700 0.022 0.000 2.399 157 S HA -0.154 4.317 4.470 0.002 0.000 0.231 157 S C 1.587 176.199 174.600 0.021 0.000 1.022 157 S CA 1.141 59.349 58.200 0.014 0.000 0.983 157 S CB -0.257 62.953 63.200 0.016 0.000 0.803 157 S HN 0.406 8.716 8.310 -0.000 0.000 0.480 158 Y N 1.724 121.966 120.300 -0.097 0.000 2.153 158 Y HA 0.112 4.664 4.550 0.003 0.000 0.289 158 Y C 1.947 177.762 175.900 -0.141 0.000 1.119 158 Y CA 1.089 59.116 58.100 -0.121 0.000 1.116 158 Y CB -0.574 37.806 38.460 -0.134 0.000 1.004 158 Y HN 0.074 8.354 8.280 -0.000 0.000 0.501 159 L N 0.472 121.594 121.223 -0.168 0.000 2.042 159 L HA -0.285 4.056 4.340 0.002 0.000 0.210 159 L C 2.102 178.811 176.870 -0.268 0.000 1.076 159 L CA 1.508 56.142 54.840 -0.343 0.000 0.749 159 L CB -0.739 41.059 42.059 -0.434 0.000 0.893 159 L HN 0.363 8.593 8.230 -0.000 0.000 0.432 160 N N 0.024 118.631 118.700 -0.156 0.000 2.021 160 N HA -0.183 4.558 4.740 0.002 0.000 0.198 160 N C -0.728 174.726 175.510 -0.092 0.000 1.041 160 N CA 1.763 54.759 53.050 -0.090 0.000 0.862 160 N CB -1.795 36.667 38.487 -0.041 0.000 1.048 160 N HN 0.264 8.644 8.380 -0.000 0.000 0.427 161 P HA -0.024 4.396 4.420 -0.000 0.000 0.217 161 P C 1.582 178.826 177.300 -0.093 0.000 1.150 161 P CA 0.857 63.901 63.100 -0.094 0.000 0.832 161 P CB 0.028 31.654 31.700 -0.123 0.000 0.787 162 I N -1.157 119.296 120.570 -0.195 0.000 2.252 162 I HA -0.200 3.971 4.170 0.002 0.000 0.245 162 I C 2.119 178.210 176.117 -0.042 0.000 1.102 162 I CA 1.128 62.332 61.300 -0.160 0.000 1.385 162 I CB -0.546 37.247 38.000 -0.345 0.000 1.064 162 I HN -0.112 8.098 8.210 -0.000 0.000 0.414 163 I N 0.839 121.361 120.570 -0.081 0.000 2.127 163 I HA -0.289 3.882 4.170 0.002 0.000 0.241 163 I C 2.680 178.800 176.117 0.004 0.000 1.075 163 I CA 1.703 62.985 61.300 -0.031 0.000 1.334 163 I CB -1.252 36.735 38.000 -0.022 0.000 1.040 163 I HN 0.265 8.475 8.210 -0.000 0.000 0.405 164 R N -0.231 120.275 120.500 0.010 0.000 2.083 164 R HA -0.233 4.109 4.340 0.002 0.000 0.237 164 R C 2.345 178.671 176.300 0.043 0.000 1.137 164 R CA 1.727 57.841 56.100 0.023 0.000 0.951 164 R CB -0.626 29.689 30.300 0.025 0.000 0.851 164 R HN 0.243 8.513 8.270 -0.000 0.000 0.434 165 F N 1.591 121.488 119.950 -0.089 0.000 2.095 165 F HA -0.191 4.337 4.527 0.002 0.000 0.298 165 F C 1.908 177.639 175.800 -0.115 0.000 1.104 165 F CA 1.484 59.422 58.000 -0.104 0.000 1.232 165 F CB -0.326 38.603 39.000 -0.118 0.000 0.987 165 F HN -0.085 8.215 8.300 -0.000 0.000 0.475 166 L N -0.744 120.420 121.223 -0.098 0.000 2.042 166 L HA -0.250 4.091 4.340 0.002 0.000 0.210 166 L C 2.574 179.327 176.870 -0.196 0.000 1.076 166 L CA 1.505 56.229 54.840 -0.192 0.000 0.749 166 L CB -0.991 41.041 42.059 -0.046 0.000 0.893 166 L HN 0.093 8.323 8.230 -0.000 0.000 0.432 167 S N -0.313 115.317 115.700 -0.117 0.000 2.368 167 S HA -0.171 4.300 4.470 0.002 0.000 0.225 167 S C 2.189 176.713 174.600 -0.127 0.000 1.030 167 S CA 1.528 59.676 58.200 -0.086 0.000 0.999 167 S CB -0.235 62.941 63.200 -0.039 0.000 0.844 167 S HN 0.631 8.941 8.310 -0.000 0.000 0.459 168 S N 2.187 117.786 115.700 -0.170 0.000 2.419 168 S HA -0.057 4.414 4.470 0.002 0.000 0.233 168 S C 1.617 176.074 174.600 -0.239 0.000 1.016 168 S CA 1.168 59.264 58.200 -0.173 0.000 0.974 168 S CB -0.776 62.334 63.200 -0.149 0.000 0.786 168 S HN 0.758 9.068 8.310 -0.000 0.000 0.492 169 I N -3.025 117.311 120.570 -0.390 0.000 4.018 169 I HA 0.446 4.617 4.170 0.002 0.000 0.337 169 I C 0.252 176.240 176.117 -0.215 0.000 1.327 169 I CA -0.737 60.334 61.300 -0.383 0.000 1.100 169 I CB -0.127 37.406 38.000 -0.779 0.000 1.025 169 I HN -0.023 8.187 8.210 -0.000 0.000 0.396 170 R N 1.259 121.661 120.500 -0.162 0.000 3.332 170 R HA -0.102 4.239 4.340 0.002 0.000 0.263 170 R C -0.542 175.735 176.300 -0.038 0.000 1.053 170 R CA 0.506 56.563 56.100 -0.072 0.000 0.705 170 R CB -2.295 27.986 30.300 -0.030 0.000 1.166 170 R HN 0.496 8.766 8.270 -0.000 0.000 0.427 171 S N 0.495 116.151 115.700 -0.073 0.000 2.593 171 S HA 0.633 5.105 4.470 0.002 0.000 0.297 171 S C -1.739 172.856 174.600 -0.008 0.000 1.112 171 S CA -1.129 57.064 58.200 -0.012 0.000 1.043 171 S CB 2.123 65.294 63.200 -0.049 0.000 1.054 171 S HN 0.138 8.448 8.310 -0.000 0.000 0.516 172 P HA 0.408 4.828 4.420 -0.000 0.000 0.284 172 P C -1.255 176.004 177.300 -0.068 0.000 1.292 172 P CA -0.722 62.361 63.100 -0.028 0.000 0.800 172 P CB 0.594 32.260 31.700 -0.058 0.000 1.188 173 L N 0.546 121.743 121.223 -0.044 0.000 2.282 173 L HA 0.396 4.737 4.340 0.002 0.000 0.288 173 L C -0.830 175.990 176.870 -0.084 0.000 1.033 173 L CA -0.681 54.130 54.840 -0.048 0.000 0.807 173 L CB 0.286 42.344 42.059 -0.003 0.000 1.209 173 L HN 0.095 8.325 8.230 -0.000 0.000 0.423 174 L N 4.963 126.122 121.223 -0.107 0.000 2.357 174 L HA 0.829 5.171 4.340 0.002 0.000 0.273 174 L C -0.065 176.767 176.870 -0.062 0.000 1.080 174 L CA 0.146 54.917 54.840 -0.115 0.000 0.803 174 L CB 1.448 43.414 42.059 -0.153 0.000 1.174 174 L HN 0.829 9.059 8.230 -0.000 0.000 0.443 175 A N 2.379 125.171 122.820 -0.047 0.000 2.455 175 A HA 0.694 5.015 4.320 0.002 0.000 0.300 175 A C -1.174 176.389 177.584 -0.035 0.000 1.040 175 A CA -0.803 51.212 52.037 -0.037 0.000 0.697 175 A CB 0.950 19.918 19.000 -0.052 0.000 1.265 175 A HN 0.585 8.735 8.150 -0.000 0.000 0.407 176 N N 1.567 120.246 118.700 -0.036 0.000 2.414 176 N HA 0.525 5.266 4.740 0.002 0.000 0.256 176 N C -0.998 174.449 175.510 -0.105 0.000 1.029 176 N CA 0.154 53.157 53.050 -0.078 0.000 0.948 176 N CB 0.917 39.407 38.487 0.004 0.000 1.102 176 N HN 0.571 8.951 8.380 -0.000 0.000 0.496 177 I N 2.664 123.097 120.570 -0.227 0.000 2.447 177 I HA 0.277 4.449 4.170 0.002 0.000 0.287 177 I C -1.087 174.916 176.117 -0.190 0.000 1.023 177 I CA -0.754 60.470 61.300 -0.128 0.000 1.083 177 I CB 1.086 39.022 38.000 -0.108 0.000 1.245 177 I HN 0.295 8.505 8.210 -0.000 0.000 0.434 178 Y N 6.854 127.280 120.300 0.210 0.000 2.426 178 Y HA 0.331 4.882 4.550 0.002 0.000 0.325 178 Y C -1.948 174.036 175.900 0.141 0.000 0.989 178 Y CA -1.904 56.347 58.100 0.251 0.000 1.284 178 Y CB 1.312 40.046 38.460 0.456 0.000 1.104 178 Y HN 0.403 8.683 8.280 -0.000 0.000 0.481 179 P HA -0.195 4.225 4.420 -0.000 0.000 0.220 179 P C 1.478 178.746 177.300 -0.054 0.000 1.148 179 P CA 1.227 64.377 63.100 0.082 0.000 0.803 179 P CB 0.128 31.895 31.700 0.112 0.000 0.782 180 Y N -0.462 119.551 120.300 -0.478 0.000 2.114 180 Y HA -0.213 4.338 4.550 0.002 0.000 0.284 180 Y C 1.927 177.487 175.900 -0.568 0.000 1.143 180 Y CA 1.630 59.050 58.100 -1.132 0.000 1.135 180 Y CB -1.032 36.369 38.460 -1.766 0.000 0.980 180 Y HN -0.198 8.082 8.280 -0.000 0.000 0.499 181 F N 0.165 119.997 119.950 -0.196 0.000 2.234 181 F HA -0.161 4.367 4.527 0.002 0.000 0.299 181 F C 2.454 178.146 175.800 -0.179 0.000 1.087 181 F CA 1.826 59.698 58.000 -0.214 0.000 1.340 181 F CB -1.065 37.931 39.000 -0.006 0.000 1.031 181 F HN 0.009 8.309 8.300 -0.000 0.000 0.500 182 T N -1.187 113.409 114.554 0.070 0.000 2.777 182 T HA -0.234 4.117 4.350 0.002 0.000 0.266 182 T C 1.696 176.391 174.700 -0.010 0.000 1.040 182 T CA 1.429 63.550 62.100 0.035 0.000 1.141 182 T CB -0.639 68.261 68.868 0.054 0.000 0.868 182 T HN 0.342 8.582 8.240 -0.000 0.000 0.444 183 Y N 2.191 122.408 120.300 -0.138 0.000 2.133 183 Y HA 0.058 4.610 4.550 0.002 0.000 0.287 183 Y C 2.572 178.423 175.900 -0.081 0.000 1.134 183 Y CA 0.921 58.969 58.100 -0.087 0.000 1.133 183 Y CB -0.779 37.642 38.460 -0.064 0.000 0.987 183 Y HN 0.159 8.439 8.280 -0.000 0.000 0.502 184 A N 0.241 122.901 122.820 -0.268 0.000 1.986 184 A HA -0.182 4.139 4.320 0.002 0.000 0.220 184 A C 2.405 179.918 177.584 -0.117 0.000 1.171 184 A CA 1.937 53.860 52.037 -0.190 0.000 0.640 184 A CB -1.713 16.960 19.000 -0.544 0.000 0.811 184 A HN 0.640 8.790 8.150 -0.000 0.000 0.451 185 G N -1.406 107.312 108.800 -0.137 0.000 2.408 185 G HA2 -0.055 3.906 3.960 0.002 0.000 0.215 185 G HA3 -0.055 3.906 3.960 0.002 0.000 0.215 185 G C 0.754 175.560 174.900 -0.158 0.000 1.156 185 G CA 0.909 45.945 45.100 -0.107 0.000 0.793 185 G HN 0.506 8.796 8.290 -0.000 0.000 0.535 186 N N -0.102 118.478 118.700 -0.200 0.000 2.733 186 N HA 0.235 4.976 4.740 0.002 0.000 0.271 186 N C -1.940 173.406 175.510 -0.273 0.000 1.720 186 N CA -1.670 51.258 53.050 -0.202 0.000 0.803 186 N CB 1.592 40.004 38.487 -0.126 0.000 1.208 186 N HN -0.013 8.367 8.380 -0.000 0.000 0.498 187 P HA -0.096 4.324 4.420 -0.000 0.000 0.231 187 P C 1.038 178.248 177.300 -0.149 0.000 1.158 187 P CA 0.554 63.385 63.100 -0.448 0.000 0.763 187 P CB 0.553 32.025 31.700 -0.379 0.000 0.805 188 R N 0.197 120.614 120.500 -0.138 0.000 2.161 188 R HA -0.021 4.320 4.340 0.002 0.000 0.213 188 R C 0.994 177.264 176.300 -0.050 0.000 1.055 188 R CA 1.133 57.187 56.100 -0.077 0.000 0.996 188 R CB 0.024 30.272 30.300 -0.088 0.000 0.901 188 R HN -0.028 8.242 8.270 -0.000 0.000 0.456 189 D N -0.490 119.872 120.400 -0.063 0.000 2.423 189 D HA 0.126 4.767 4.640 0.002 0.000 0.212 189 D C -0.058 176.223 176.300 -0.031 0.000 1.060 189 D CA 0.272 54.235 54.000 -0.061 0.000 0.872 189 D CB 0.722 41.465 40.800 -0.095 0.000 1.012 189 D HN 0.075 8.445 8.370 -0.000 0.000 0.503 190 I N 1.725 122.311 120.570 0.027 0.000 2.378 190 I HA 0.238 4.409 4.170 0.002 0.000 0.291 190 I C 0.554 176.853 176.117 0.304 0.000 0.992 190 I CA -0.983 60.423 61.300 0.177 0.000 1.154 190 I CB 1.222 39.373 38.000 0.252 0.000 1.315 190 I HN -0.220 7.990 8.210 -0.000 0.000 0.448 191 S N 5.033 120.910 115.700 0.295 0.000 2.586 191 S HA 0.297 4.768 4.470 0.002 0.000 0.274 191 S C 0.904 175.695 174.600 0.318 0.000 1.281 191 S CA -0.672 57.703 58.200 0.292 0.000 1.035 191 S CB 1.998 65.293 63.200 0.158 0.000 0.962 191 S HN 0.549 8.859 8.310 -0.000 0.000 0.512 192 L N 2.585 123.925 121.223 0.196 0.000 2.017 192 L HA 0.142 4.483 4.340 0.002 0.000 0.208 192 L C -1.117 175.665 176.870 -0.147 0.000 1.073 192 L CA 1.516 56.213 54.840 -0.237 0.000 0.745 192 L CB -1.974 39.931 42.059 -0.257 0.000 0.894 192 L HN 0.525 8.755 8.230 -0.000 0.000 0.432 193 P HA -0.253 4.167 4.420 -0.000 0.000 0.216 193 P C 1.374 178.694 177.300 0.033 0.000 1.153 193 P CA 1.548 64.638 63.100 -0.016 0.000 0.858 193 P CB -0.328 31.390 31.700 0.030 0.000 0.789 194 Y N 0.627 120.903 120.300 -0.041 0.000 2.274 194 Y HA -0.108 4.443 4.550 0.002 0.000 0.290 194 Y C 2.249 178.103 175.900 -0.077 0.000 1.145 194 Y CA 1.259 59.343 58.100 -0.028 0.000 1.203 194 Y CB -1.002 37.467 38.460 0.016 0.000 0.984 194 Y HN -0.116 8.164 8.280 -0.000 0.000 0.533 195 A N -0.829 121.925 122.820 -0.110 0.000 2.123 195 A HA 0.112 4.434 4.320 0.002 0.000 0.214 195 A C 1.722 179.166 177.584 -0.233 0.000 1.152 195 A CA 0.832 52.767 52.037 -0.170 0.000 0.728 195 A CB -0.567 18.437 19.000 0.006 0.000 0.814 195 A HN 0.448 8.598 8.150 -0.000 0.000 0.464 196 L N -2.122 118.931 121.223 -0.285 0.000 2.769 196 L HA 0.284 4.626 4.340 0.002 0.000 0.240 196 L C -0.138 176.663 176.870 -0.115 0.000 1.163 196 L CA -0.225 54.451 54.840 -0.274 0.000 0.962 196 L CB -0.041 41.799 42.059 -0.366 0.000 1.258 196 L HN 0.297 8.527 8.230 -0.000 0.000 0.513 197 F N -0.553 119.331 119.950 -0.109 0.000 2.953 197 F HA -0.274 4.254 4.527 0.002 0.000 0.292 197 F C 1.487 177.230 175.800 -0.095 0.000 0.747 197 F CA 1.256 59.175 58.000 -0.135 0.000 1.222 197 F CB -2.404 36.461 39.000 -0.225 0.000 1.457 197 F HN 0.255 8.555 8.300 -0.000 0.000 0.383 198 T N -4.402 110.185 114.554 0.054 0.000 3.186 198 T HA 0.353 4.704 4.350 0.002 0.000 0.257 198 T C 0.497 175.218 174.700 0.035 0.000 1.029 198 T CA 0.394 62.507 62.100 0.022 0.000 0.916 198 T CB 0.496 69.343 68.868 -0.034 0.000 1.041 198 T HN 0.315 8.555 8.240 -0.000 0.000 0.562 199 S N 2.999 118.742 115.700 0.072 0.000 2.465 199 S HA 0.356 4.827 4.470 0.002 0.000 0.279 199 S C -0.702 173.936 174.600 0.064 0.000 1.201 199 S CA -1.421 56.825 58.200 0.076 0.000 1.053 199 S CB 1.115 64.391 63.200 0.125 0.000 0.953 199 S HN 0.227 8.537 8.310 -0.000 0.000 0.488 200 P HA -0.010 4.410 4.420 -0.000 0.000 0.215 200 P C 0.449 177.774 177.300 0.041 0.000 1.157 200 P CA 0.573 63.696 63.100 0.038 0.000 0.859 200 P CB -0.190 31.528 31.700 0.030 0.000 0.786 201 S N 0.460 116.184 115.700 0.040 0.000 2.693 201 S HA 0.403 4.875 4.470 0.002 0.000 0.276 201 S C 0.416 175.017 174.600 0.002 0.000 1.192 201 S CA -0.849 57.374 58.200 0.037 0.000 0.994 201 S CB 1.004 64.236 63.200 0.054 0.000 1.012 201 S HN 0.100 8.410 8.310 -0.000 0.000 0.550 202 V N 0.447 120.325 119.914 -0.060 0.000 2.508 202 V HA 0.335 4.456 4.120 0.002 0.000 0.281 202 V C 0.848 176.813 176.094 -0.216 0.000 1.041 202 V CA -0.456 61.710 62.300 -0.224 0.000 1.016 202 V CB 0.428 31.873 31.823 -0.630 0.000 0.984 202 V HN 0.755 8.945 8.190 -0.000 0.000 0.478 203 V N 4.255 124.064 119.914 -0.174 0.000 2.446 203 V HA 0.050 4.172 4.120 0.002 0.000 0.244 203 V C 0.828 176.779 176.094 -0.239 0.000 1.039 203 V CA 1.126 63.280 62.300 -0.244 0.000 1.045 203 V CB 0.492 31.999 31.823 -0.527 0.000 0.681 203 V HN 0.756 8.946 8.190 -0.000 0.000 0.459 204 V N -0.853 118.948 119.914 -0.188 0.000 2.483 204 V HA 0.374 4.496 4.120 0.002 0.000 0.297 204 V C -1.330 174.761 176.094 -0.005 0.000 1.027 204 V CA -0.867 61.428 62.300 -0.007 0.000 0.855 204 V CB 1.589 33.498 31.823 0.142 0.000 0.995 204 V HN 0.461 8.651 8.190 -0.000 0.000 0.424 205 W N 2.996 124.386 121.300 0.151 0.000 2.316 205 W HA 0.527 5.188 4.660 0.001 0.000 0.308 205 W C -0.119 176.471 176.519 0.118 0.000 1.106 205 W CA -0.161 57.260 57.345 0.127 0.000 1.262 205 W CB 1.282 30.784 29.460 0.071 0.000 1.233 205 W HN 0.587 8.767 8.180 -0.000 0.000 0.447 206 D N 3.434 124.094 120.400 0.433 0.000 2.454 206 D HA 0.445 5.086 4.640 0.002 0.000 0.247 206 D C 0.821 177.282 176.300 0.268 0.000 1.129 206 D CA 0.585 54.757 54.000 0.286 0.000 0.877 206 D CB 0.372 41.363 40.800 0.318 0.000 1.082 206 D HN 0.567 8.937 8.370 -0.000 0.000 0.537 207 G N 3.570 112.483 108.800 0.188 0.000 2.611 207 G HA2 -0.344 3.617 3.960 0.002 0.000 0.301 207 G HA3 -0.344 3.617 3.960 0.002 0.000 0.301 207 G C 0.688 175.692 174.900 0.174 0.000 1.233 207 G CA 0.217 45.396 45.100 0.132 0.000 0.993 207 G HN 0.514 8.804 8.290 -0.000 0.000 0.553 208 Q N 1.169 121.055 119.800 0.144 0.000 2.403 208 Q HA 0.137 4.478 4.340 0.002 0.000 0.203 208 Q C 1.250 177.416 176.000 0.277 0.000 0.932 208 Q CA 0.517 56.414 55.803 0.157 0.000 0.945 208 Q CB 0.288 29.073 28.738 0.079 0.000 1.045 208 Q HN 0.541 8.811 8.270 -0.000 0.000 0.511 209 R N -0.072 120.588 120.500 0.267 0.000 2.265 209 R HA 0.534 4.875 4.340 0.002 0.000 0.319 209 R C 0.162 176.486 176.300 0.041 0.000 1.006 209 R CA -0.239 55.925 56.100 0.107 0.000 0.880 209 R CB 1.282 31.594 30.300 0.020 0.000 1.077 209 R HN -0.045 8.225 8.270 -0.000 0.000 0.454 210 G N 2.544 111.160 108.800 -0.306 0.000 2.422 210 G HA2 0.381 4.342 3.960 0.002 0.000 0.317 210 G HA3 0.381 4.342 3.960 0.002 0.000 0.317 210 G C -1.244 173.290 174.900 -0.609 0.000 1.210 210 G CA -0.353 44.244 45.100 -0.839 0.000 0.930 210 G HN 0.438 8.728 8.290 -0.000 0.000 0.468 211 Y N 1.471 121.617 120.300 -0.256 0.000 2.335 211 Y HA 0.318 4.869 4.550 0.002 0.000 0.339 211 Y C 1.434 177.375 175.900 0.068 0.000 0.987 211 Y CA -0.535 57.566 58.100 0.002 0.000 1.140 211 Y CB 2.420 40.967 38.460 0.144 0.000 1.173 211 Y HN 0.520 8.800 8.280 -0.000 0.000 0.486 212 K N 1.694 122.250 120.400 0.260 0.000 2.334 212 K HA 0.079 4.400 4.320 0.002 0.000 0.195 212 K C -0.275 176.579 176.600 0.423 0.000 1.045 212 K CA 0.371 56.816 56.287 0.262 0.000 1.004 212 K CB 0.258 32.849 32.500 0.152 0.000 0.837 212 K HN 0.735 8.985 8.250 -0.000 0.000 0.510 213 N N -1.117 117.751 118.700 0.281 0.000 2.357 213 N HA 0.092 4.833 4.740 0.002 0.000 0.284 213 N C 0.119 175.207 175.510 -0.704 0.000 1.236 213 N CA -0.691 52.198 53.050 -0.268 0.000 0.774 213 N CB 0.871 39.274 38.487 -0.141 0.000 1.534 213 N HN -0.245 8.135 8.380 -0.000 0.000 0.478 214 L N 0.004 120.537 121.223 -1.151 0.000 2.201 214 L HA 0.242 4.583 4.340 0.002 0.000 0.212 214 L C 1.433 178.167 176.870 -0.226 0.000 1.105 214 L CA 1.384 55.779 54.840 -0.743 0.000 0.775 214 L CB -0.861 40.874 42.059 -0.541 0.000 0.913 214 L HN 0.761 8.991 8.230 -0.000 0.000 0.440 215 F N 0.360 120.136 119.950 -0.290 0.000 2.075 215 F HA -0.234 4.294 4.527 0.002 0.000 0.297 215 F C 2.214 178.054 175.800 0.066 0.000 1.113 215 F CA 2.041 60.013 58.000 -0.048 0.000 1.218 215 F CB -0.306 38.730 39.000 0.061 0.000 0.984 215 F HN 0.159 8.459 8.300 -0.000 0.000 0.472 216 D N 0.485 121.084 120.400 0.332 0.000 2.123 216 D HA -0.180 4.461 4.640 0.002 0.000 0.196 216 D C 2.361 178.792 176.300 0.219 0.000 0.992 216 D CA 1.513 55.747 54.000 0.390 0.000 0.833 216 D CB -0.736 40.415 40.800 0.585 0.000 0.954 216 D HN 0.394 8.764 8.370 -0.000 0.000 0.455 217 A N 0.279 123.122 122.820 0.038 0.000 1.902 217 A HA -0.171 4.150 4.320 0.002 0.000 0.217 217 A C 2.392 179.851 177.584 -0.208 0.000 1.181 217 A CA 2.149 53.987 52.037 -0.331 0.000 0.623 217 A CB -0.847 18.044 19.000 -0.181 0.000 0.818 217 A HN 0.221 8.371 8.150 -0.000 0.000 0.443 218 T N -0.189 114.268 114.554 -0.161 0.000 2.812 218 T HA -0.073 4.279 4.350 0.002 0.000 0.264 218 T C 1.825 176.392 174.700 -0.222 0.000 1.042 218 T CA 1.365 63.362 62.100 -0.170 0.000 1.140 218 T CB -0.292 68.475 68.868 -0.167 0.000 0.870 218 T HN 0.277 8.517 8.240 -0.000 0.000 0.445 219 L N 1.684 122.726 121.223 -0.301 0.000 2.056 219 L HA -0.022 4.320 4.340 0.002 0.000 0.207 219 L C 1.701 178.447 176.870 -0.206 0.000 1.078 219 L CA 1.838 56.471 54.840 -0.345 0.000 0.749 219 L CB -0.749 41.080 42.059 -0.383 0.000 0.901 219 L HN 0.052 8.282 8.230 -0.000 0.000 0.433 220 D N -0.529 119.887 120.400 0.026 0.000 2.264 220 D HA -0.044 4.598 4.640 0.002 0.000 0.208 220 D C 2.128 178.464 176.300 0.060 0.000 0.966 220 D CA 1.124 55.241 54.000 0.196 0.000 0.864 220 D CB 0.112 41.115 40.800 0.338 0.000 0.933 220 D HN 0.482 8.852 8.370 -0.000 0.000 0.499 221 A N 0.252 123.032 122.820 -0.067 0.000 1.970 221 A HA -0.063 4.258 4.320 0.002 0.000 0.216 221 A C 2.040 179.533 177.584 -0.151 0.000 1.170 221 A CA 0.577 52.555 52.037 -0.098 0.000 0.645 221 A CB -0.387 18.548 19.000 -0.108 0.000 0.816 221 A HN 0.238 8.388 8.150 -0.000 0.000 0.447 222 L N -1.556 119.555 121.223 -0.186 0.000 2.072 222 L HA -0.057 4.284 4.340 0.002 0.000 0.205 222 L C 2.198 178.965 176.870 -0.171 0.000 1.079 222 L CA 1.831 56.530 54.840 -0.235 0.000 0.752 222 L CB -0.939 40.971 42.059 -0.247 0.000 0.906 222 L HN 0.423 8.653 8.230 -0.000 0.000 0.436 223 Y N -0.131 120.136 120.300 -0.055 0.000 2.207 223 Y HA -0.207 4.345 4.550 0.002 0.000 0.287 223 Y C 2.829 178.700 175.900 -0.048 0.000 1.156 223 Y CA 1.452 59.539 58.100 -0.021 0.000 1.182 223 Y CB -1.069 37.399 38.460 0.014 0.000 0.979 223 Y HN 0.235 8.515 8.280 -0.000 0.000 0.521 224 S N -0.380 115.368 115.700 0.079 0.000 2.368 224 S HA -0.167 4.304 4.470 0.002 0.000 0.224 224 S C 2.377 176.920 174.600 -0.095 0.000 1.029 224 S CA 0.925 59.128 58.200 0.004 0.000 0.988 224 S CB -0.680 62.512 63.200 -0.014 0.000 0.838 224 S HN 0.499 8.809 8.310 -0.000 0.000 0.462 225 A N 1.569 124.227 122.820 -0.271 0.000 1.902 225 A HA -0.027 4.294 4.320 0.002 0.000 0.217 225 A C 2.112 179.475 177.584 -0.369 0.000 1.181 225 A CA 1.197 52.888 52.037 -0.577 0.000 0.623 225 A CB -0.800 17.401 19.000 -1.332 0.000 0.818 225 A HN 0.446 8.596 8.150 -0.000 0.000 0.443 226 L N -0.749 120.395 121.223 -0.131 0.000 2.131 226 L HA -0.218 4.123 4.340 0.002 0.000 0.210 226 L C 2.549 179.506 176.870 0.144 0.000 1.092 226 L CA 1.621 56.592 54.840 0.218 0.000 0.759 226 L CB -0.500 41.701 42.059 0.237 0.000 0.903 226 L HN 0.485 8.715 8.230 -0.000 0.000 0.435 227 E N -0.158 120.087 120.200 0.075 0.000 2.106 227 E HA -0.166 4.186 4.350 0.002 0.000 0.192 227 E C 2.136 178.767 176.600 0.051 0.000 0.984 227 E CA 0.734 57.170 56.400 0.060 0.000 0.806 227 E CB 0.024 29.750 29.700 0.043 0.000 0.750 227 E HN 0.431 8.791 8.360 -0.000 0.000 0.458 228 R N 0.091 120.612 120.500 0.035 0.000 2.307 228 R HA 0.098 4.439 4.340 0.002 0.000 0.199 228 R C 1.055 177.404 176.300 0.083 0.000 1.000 228 R CA 0.610 56.735 56.100 0.041 0.000 1.023 228 R CB 0.326 30.635 30.300 0.016 0.000 0.908 228 R HN -0.019 8.251 8.270 -0.000 0.000 0.473 229 A N 0.410 123.308 122.820 0.131 0.000 2.637 229 A HA 0.225 4.546 4.320 0.002 0.000 0.293 229 A C 0.284 177.933 177.584 0.110 0.000 1.216 229 A CA -0.389 51.743 52.037 0.157 0.000 0.956 229 A CB 0.322 19.500 19.000 0.296 0.000 1.174 229 A HN 0.102 8.252 8.150 -0.000 0.000 0.525 230 S N -1.306 114.443 115.700 0.081 0.000 3.587 230 S HA -0.186 4.285 4.470 0.002 0.000 0.337 230 S C 0.937 175.573 174.600 0.062 0.000 1.119 230 S CA 1.020 59.255 58.200 0.058 0.000 0.976 230 S CB -1.511 61.714 63.200 0.042 0.000 0.922 230 S HN 1.535 9.845 8.310 -0.000 0.000 0.503 231 G N -0.424 108.428 108.800 0.088 0.000 3.969 231 G HA2 0.481 4.442 3.960 0.002 0.000 0.291 231 G HA3 0.481 4.442 3.960 0.002 0.000 0.291 231 G C 0.824 175.783 174.900 0.098 0.000 1.016 231 G CA 0.437 45.591 45.100 0.089 0.000 0.819 231 G HN 0.658 8.948 8.290 -0.000 0.000 0.493 232 G N 0.896 109.743 108.800 0.079 0.000 2.653 232 G HA2 0.001 3.962 3.960 0.002 0.000 0.212 232 G HA3 0.001 3.962 3.960 0.002 0.000 0.212 232 G C 1.492 176.418 174.900 0.043 0.000 1.138 232 G CA 1.386 46.526 45.100 0.067 0.000 0.782 232 G HN 0.745 9.035 8.290 -0.000 0.000 0.535 233 S N -0.631 115.094 115.700 0.041 0.000 2.578 233 S HA 0.397 4.868 4.470 0.002 0.000 0.231 233 S C 0.603 175.227 174.600 0.039 0.000 0.994 233 S CA -0.675 57.540 58.200 0.024 0.000 0.956 233 S CB -0.026 63.182 63.200 0.014 0.000 0.870 233 S HN 0.104 8.414 8.310 -0.000 0.000 0.494 234 L N 2.169 123.436 121.223 0.074 0.000 2.371 234 L HA 0.472 4.813 4.340 0.002 0.000 0.272 234 L C 0.525 177.484 176.870 0.148 0.000 1.124 234 L CA -0.354 54.543 54.840 0.094 0.000 0.816 234 L CB 0.956 43.077 42.059 0.103 0.000 1.129 234 L HN 0.408 8.638 8.230 -0.000 0.000 0.448 235 E N 1.877 122.155 120.200 0.130 0.000 2.283 235 E HA 0.438 4.789 4.350 0.002 0.000 0.271 235 E C -1.527 175.184 176.600 0.185 0.000 1.031 235 E CA -0.671 55.836 56.400 0.179 0.000 0.868 235 E CB 1.929 31.706 29.700 0.128 0.000 1.094 235 E HN 0.289 8.649 8.360 -0.000 0.000 0.401 236 V N 4.134 124.194 119.914 0.244 0.000 2.448 236 V HA 0.237 4.358 4.120 0.002 0.000 0.295 236 V C -0.393 175.752 176.094 0.085 0.000 1.025 236 V CA -0.829 61.526 62.300 0.091 0.000 0.859 236 V CB 1.706 33.481 31.823 -0.080 0.000 0.988 236 V HN 0.500 8.690 8.190 -0.000 0.000 0.431 237 V N 5.760 125.685 119.914 0.018 0.000 2.383 237 V HA 0.262 4.383 4.120 0.002 0.000 0.275 237 V C 0.200 176.345 176.094 0.084 0.000 1.036 237 V CA -0.541 61.798 62.300 0.065 0.000 0.889 237 V CB 1.815 33.594 31.823 -0.073 0.000 0.985 237 V HN 0.633 8.823 8.190 -0.000 0.000 0.459 238 V N 5.778 125.799 119.914 0.177 0.000 2.364 238 V HA 0.032 4.153 4.120 0.002 0.000 0.252 238 V C 1.565 177.800 176.094 0.235 0.000 1.075 238 V CA 0.725 63.130 62.300 0.175 0.000 1.033 238 V CB 0.614 32.606 31.823 0.281 0.000 1.116 238 V HN 1.132 9.322 8.190 -0.000 0.000 0.488 239 S N 2.976 118.740 115.700 0.107 0.000 2.507 239 S HA 0.060 4.531 4.470 0.002 0.000 0.235 239 S C 0.483 175.144 174.600 0.101 0.000 0.988 239 S CA 0.334 58.564 58.200 0.050 0.000 0.944 239 S CB 0.035 63.193 63.200 -0.070 0.000 0.762 239 S HN 0.800 9.110 8.310 -0.000 0.000 0.526 240 E N -0.549 119.700 120.200 0.082 0.000 2.378 240 E HA 0.580 4.931 4.350 0.002 0.000 0.283 240 E C -1.786 174.742 176.600 -0.121 0.000 0.979 240 E CA -0.426 55.998 56.400 0.040 0.000 0.795 240 E CB 2.225 31.869 29.700 -0.094 0.000 1.221 240 E HN 0.092 8.452 8.360 -0.000 0.000 0.428 241 S N 0.564 116.287 115.700 0.038 0.000 2.583 241 S HA 0.737 5.208 4.470 0.002 0.000 0.294 241 S C -1.193 173.713 174.600 0.510 0.000 1.121 241 S CA -0.059 58.160 58.200 0.032 0.000 0.910 241 S CB 1.458 64.821 63.200 0.272 0.000 1.102 241 S HN 0.750 9.060 8.310 -0.000 0.000 0.451 242 G N 2.325 111.598 108.800 0.788 0.000 2.550 242 G HA2 0.620 4.582 3.960 0.002 0.000 0.293 242 G HA3 0.620 4.582 3.960 0.002 0.000 0.293 242 G C -2.459 172.855 174.900 0.691 0.000 1.402 242 G CA -0.440 45.186 45.100 0.876 0.000 0.784 242 G HN 0.574 8.864 8.290 -0.000 0.000 0.482 243 W N 1.969 123.370 121.300 0.169 0.000 3.042 243 W HA 0.509 5.170 4.660 0.002 0.000 0.337 243 W C -2.650 173.453 176.519 -0.694 0.000 1.086 243 W CA -2.097 55.014 57.345 -0.391 0.000 1.236 243 W CB 2.407 31.674 29.460 -0.322 0.000 1.381 243 W HN 0.461 8.641 8.180 -0.000 0.000 0.472 244 P HA 0.032 4.452 4.420 -0.000 0.000 0.271 244 P C 0.559 177.677 177.300 -0.303 0.000 1.216 244 P CA 0.294 62.741 63.100 -1.089 0.000 0.776 244 P CB 1.325 32.179 31.700 -1.410 0.000 0.881 245 S N 1.403 117.046 115.700 -0.096 0.000 2.593 245 S HA 0.450 4.921 4.470 0.002 0.000 0.217 245 S C 0.663 175.249 174.600 -0.024 0.000 0.966 245 S CA 0.262 58.508 58.200 0.076 0.000 0.914 245 S CB -0.290 63.019 63.200 0.181 0.000 0.776 245 S HN 0.822 9.132 8.310 -0.000 0.000 0.523 246 A N -1.118 121.602 122.820 -0.166 0.000 2.456 246 A HA 0.650 4.971 4.320 0.002 0.000 0.294 246 A C 0.568 178.049 177.584 -0.173 0.000 1.057 246 A CA -0.211 51.660 52.037 -0.277 0.000 0.623 246 A CB -0.388 18.272 19.000 -0.566 0.000 1.338 246 A HN 1.388 9.538 8.150 -0.000 0.000 0.464 247 G N -2.014 106.739 108.800 -0.078 0.000 2.195 247 G HA2 0.507 4.468 3.960 0.002 0.000 0.224 247 G HA3 0.507 4.468 3.960 0.002 0.000 0.224 247 G C 0.600 175.581 174.900 0.134 0.000 0.990 247 G CA 1.228 46.394 45.100 0.109 0.000 0.639 247 G HN 2.809 11.099 8.290 -0.000 0.000 0.514 248 A N -1.345 121.551 122.820 0.126 0.000 2.483 248 A HA 0.681 5.002 4.320 0.002 0.000 0.294 248 A C -0.503 177.206 177.584 0.209 0.000 1.077 248 A CA -0.034 52.114 52.037 0.185 0.000 0.633 248 A CB -0.019 19.120 19.000 0.232 0.000 1.318 248 A HN 1.682 9.832 8.150 -0.000 0.000 0.455 249 F N 1.506 121.519 119.950 0.105 0.000 2.623 249 F HA 0.335 4.863 4.527 0.002 0.000 0.386 249 F C 1.325 177.234 175.800 0.180 0.000 1.068 249 F CA 1.551 59.613 58.000 0.103 0.000 1.265 249 F CB 0.220 39.243 39.000 0.038 0.000 1.026 249 F HN 2.301 10.601 8.300 -0.000 0.000 0.568 250 A N 3.258 125.673 122.820 -0.675 0.000 3.132 250 A HA -0.155 4.166 4.320 0.002 0.000 0.266 250 A C 0.671 178.382 177.584 0.212 0.000 1.216 250 A CA 1.000 52.820 52.037 -0.361 0.000 0.985 250 A CB -2.481 16.236 19.000 -0.470 0.000 1.102 250 A HN 2.076 10.226 8.150 -0.000 0.000 0.833 251 A N 0.640 123.549 122.820 0.149 0.000 2.506 251 A HA 0.628 4.949 4.320 0.002 0.000 0.320 251 A C 0.551 178.179 177.584 0.073 0.000 1.424 251 A CA 0.942 53.030 52.037 0.085 0.000 1.044 251 A CB -0.434 18.541 19.000 -0.041 0.000 1.140 251 A HN 1.998 10.148 8.150 -0.000 0.000 0.538 252 T N -1.746 112.888 114.554 0.134 0.000 2.868 252 T HA 0.467 4.818 4.350 0.002 0.000 0.306 252 T C 0.496 175.279 174.700 0.138 0.000 1.224 252 T CA -0.447 61.717 62.100 0.107 0.000 1.012 252 T CB 0.575 69.487 68.868 0.075 0.000 1.221 252 T HN 0.331 8.571 8.240 -0.000 0.000 0.499 253 F N 1.749 121.737 119.950 0.063 0.000 2.043 253 F HA -0.145 4.384 4.527 0.002 0.000 0.297 253 F C 1.999 177.838 175.800 0.066 0.000 1.118 253 F CA 2.395 60.491 58.000 0.159 0.000 1.202 253 F CB -0.319 38.762 39.000 0.136 0.000 0.965 253 F HN 0.712 9.012 8.300 -0.000 0.000 0.482 254 D N -0.014 120.468 120.400 0.136 0.000 2.104 254 D HA -0.204 4.437 4.640 0.002 0.000 0.194 254 D C 1.908 178.026 176.300 -0.303 0.000 0.994 254 D CA 1.527 55.490 54.000 -0.062 0.000 0.830 254 D CB -0.677 40.118 40.800 -0.007 0.000 0.959 254 D HN 0.333 8.703 8.370 -0.000 0.000 0.452 255 N N 0.612 119.109 118.700 -0.339 0.000 2.166 255 N HA -0.104 4.637 4.740 0.002 0.000 0.186 255 N C 1.948 176.900 175.510 -0.930 0.000 1.019 255 N CA 1.231 53.872 53.050 -0.681 0.000 0.856 255 N CB -0.702 37.385 38.487 -0.667 0.000 0.993 255 N HN 0.251 8.631 8.380 -0.000 0.000 0.426 256 G N 1.056 109.450 108.800 -0.677 0.000 2.433 256 G HA2 -0.287 3.675 3.960 0.002 0.000 0.216 256 G HA3 -0.287 3.675 3.960 0.002 0.000 0.216 256 G C 1.603 175.759 174.900 -1.239 0.000 1.186 256 G CA 0.807 45.458 45.100 -0.749 0.000 0.779 256 G HN 0.318 8.608 8.290 -0.000 0.000 0.543 257 R N -0.226 119.377 120.500 -1.496 0.000 2.091 257 R HA -0.095 4.246 4.340 0.002 0.000 0.238 257 R C 2.544 178.451 176.300 -0.655 0.000 1.136 257 R CA 2.092 57.488 56.100 -1.173 0.000 0.959 257 R CB -0.587 29.314 30.300 -0.666 0.000 0.856 257 R HN 0.333 8.603 8.270 -0.000 0.000 0.437 258 T N -0.105 114.129 114.554 -0.534 0.000 2.770 258 T HA -0.160 4.191 4.350 0.002 0.000 0.263 258 T C 1.314 175.815 174.700 -0.332 0.000 1.039 258 T CA 1.411 63.282 62.100 -0.381 0.000 1.142 258 T CB -0.489 68.175 68.868 -0.340 0.000 0.868 258 T HN 0.360 8.600 8.240 -0.000 0.000 0.435 259 Y N 1.841 121.834 120.300 -0.511 0.000 2.097 259 Y HA -0.081 4.470 4.550 0.002 0.000 0.282 259 Y C 2.012 177.840 175.900 -0.119 0.000 1.152 259 Y CA 1.201 59.124 58.100 -0.295 0.000 1.136 259 Y CB -0.598 37.658 38.460 -0.341 0.000 0.975 259 Y HN 0.106 8.386 8.280 -0.000 0.000 0.498 260 L N -0.766 120.292 121.223 -0.275 0.000 2.191 260 L HA -0.196 4.145 4.340 0.002 0.000 0.212 260 L C 2.774 179.421 176.870 -0.371 0.000 1.103 260 L CA 1.560 56.226 54.840 -0.290 0.000 0.769 260 L CB -0.650 41.295 42.059 -0.190 0.000 0.908 260 L HN 0.299 8.529 8.230 -0.000 0.000 0.438 261 S N -0.105 115.365 115.700 -0.384 0.000 2.371 261 S HA -0.092 4.379 4.470 0.002 0.000 0.221 261 S C 1.828 176.211 174.600 -0.361 0.000 1.036 261 S CA 0.828 58.814 58.200 -0.357 0.000 0.965 261 S CB -0.102 62.901 63.200 -0.328 0.000 0.845 261 S HN 0.404 8.714 8.310 -0.000 0.000 0.475 262 N N 1.672 120.154 118.700 -0.363 0.000 2.166 262 N HA -0.052 4.689 4.740 0.002 0.000 0.186 262 N C 1.684 176.727 175.510 -0.779 0.000 1.019 262 N CA 1.114 53.895 53.050 -0.448 0.000 0.856 262 N CB -0.812 37.508 38.487 -0.278 0.000 0.993 262 N HN 0.375 8.755 8.380 -0.000 0.000 0.426 263 L N 1.593 122.330 121.223 -0.810 0.000 1.970 263 L HA -0.055 4.286 4.340 0.002 0.000 0.212 263 L C 2.038 178.579 176.870 -0.548 0.000 1.071 263 L CA 1.340 55.658 54.840 -0.869 0.000 0.751 263 L CB -0.736 40.907 42.059 -0.693 0.000 0.889 263 L HN 0.072 8.302 8.230 -0.000 0.000 0.432 264 I N -0.709 119.619 120.570 -0.403 0.000 2.236 264 I HA -0.359 3.812 4.170 0.002 0.000 0.249 264 I C 2.481 178.436 176.117 -0.270 0.000 1.102 264 I CA 1.207 62.334 61.300 -0.287 0.000 1.365 264 I CB -0.379 37.450 38.000 -0.285 0.000 1.051 264 I HN 0.467 8.677 8.210 -0.000 0.000 0.420 265 Q N -0.606 119.006 119.800 -0.313 0.000 2.096 265 Q HA -0.202 4.140 4.340 0.002 0.000 0.197 265 Q C 2.125 177.962 176.000 -0.273 0.000 0.964 265 Q CA 1.487 57.132 55.803 -0.263 0.000 0.838 265 Q CB -0.480 28.106 28.738 -0.253 0.000 0.906 265 Q HN 0.572 8.842 8.270 -0.000 0.000 0.444 266 H N 0.868 119.637 119.070 -0.502 0.000 2.289 266 H HA -0.118 4.440 4.556 0.002 0.000 0.296 266 H C 1.802 176.953 175.328 -0.295 0.000 1.091 266 H CA 2.299 58.052 56.048 -0.492 0.000 1.274 266 H CB -0.032 29.180 29.762 -0.916 0.000 1.364 266 H HN 0.105 8.385 8.280 -0.000 0.000 0.490 267 V N -0.770 119.012 119.914 -0.219 0.000 3.330 267 V HA -0.118 4.003 4.120 0.002 0.000 0.273 267 V C 1.697 177.725 176.094 -0.109 0.000 1.179 267 V CA 1.563 63.793 62.300 -0.116 0.000 1.174 267 V CB -0.614 31.166 31.823 -0.071 0.000 0.794 267 V HN 0.319 8.509 8.190 -0.000 0.000 0.527 268 K N 0.052 120.358 120.400 -0.156 0.000 2.283 268 K HA 0.057 4.378 4.320 0.002 0.000 0.202 268 K C 0.858 177.394 176.600 -0.107 0.000 1.048 268 K CA 0.624 56.841 56.287 -0.116 0.000 0.948 268 K CB 0.072 32.497 32.500 -0.125 0.000 0.742 268 K HN 0.463 8.713 8.250 -0.000 0.000 0.458 269 R N -1.091 119.314 120.500 -0.158 0.000 2.987 269 R HA 0.381 4.722 4.340 0.002 0.000 0.248 269 R C 0.395 176.623 176.300 -0.121 0.000 1.264 269 R CA -0.611 55.409 56.100 -0.133 0.000 1.026 269 R CB 0.412 30.615 30.300 -0.162 0.000 1.286 269 R HN 0.099 8.369 8.270 -0.000 0.000 0.483 270 G N -0.428 108.335 108.800 -0.062 0.000 2.695 270 G HA2 0.378 4.339 3.960 0.002 0.000 0.213 270 G HA3 0.378 4.339 3.960 0.002 0.000 0.213 270 G C -0.427 174.517 174.900 0.074 0.000 1.406 270 G CA -0.020 45.099 45.100 0.031 0.000 1.049 270 G HN 0.563 8.853 8.290 -0.000 0.000 0.573 271 T N -2.484 112.171 114.554 0.168 0.000 2.937 271 T HA 0.489 4.840 4.350 0.002 0.000 0.283 271 T C -2.112 172.651 174.700 0.106 0.000 1.012 271 T CA -1.489 60.749 62.100 0.230 0.000 0.997 271 T CB 2.098 71.178 68.868 0.353 0.000 1.136 271 T HN 0.070 8.310 8.240 -0.000 0.000 0.551 272 P HA 0.086 4.506 4.420 -0.000 0.000 0.231 272 P C 0.880 178.167 177.300 -0.021 0.000 1.158 272 P CA 0.863 63.903 63.100 -0.099 0.000 0.763 272 P CB 0.101 31.525 31.700 -0.460 0.000 0.805 273 K N -1.257 119.179 120.400 0.060 0.000 2.350 273 K HA 0.187 4.508 4.320 0.002 0.000 0.196 273 K C 0.662 177.249 176.600 -0.023 0.000 1.084 273 K CA 0.417 56.731 56.287 0.045 0.000 0.967 273 K CB 0.569 33.133 32.500 0.107 0.000 0.950 273 K HN -0.004 8.246 8.250 -0.000 0.000 0.512 274 R N 1.094 121.580 120.500 -0.024 0.000 2.653 274 R HA 0.155 4.496 4.340 0.002 0.000 0.269 274 R C -2.387 173.907 176.300 -0.009 0.000 1.603 274 R CA -1.004 55.057 56.100 -0.065 0.000 1.671 274 R CB 1.126 31.310 30.300 -0.193 0.000 1.300 274 R HN 0.024 8.294 8.270 -0.000 0.000 0.668 275 P HA -0.173 4.247 4.420 -0.000 0.000 0.228 275 P C 0.773 178.060 177.300 -0.022 0.000 1.151 275 P CA 0.990 64.084 63.100 -0.011 0.000 0.770 275 P CB 0.479 32.168 31.700 -0.018 0.000 0.786 276 K N 0.440 120.829 120.400 -0.019 0.000 1.992 276 K HA -0.008 4.313 4.320 0.002 0.000 0.210 276 K C 1.112 177.703 176.600 -0.015 0.000 1.036 276 K CA 0.575 56.850 56.287 -0.019 0.000 0.946 276 K CB 0.065 32.553 32.500 -0.019 0.000 0.742 276 K HN -0.034 8.216 8.250 -0.000 0.000 0.442 277 R N 0.670 121.169 120.500 -0.003 0.000 2.459 277 R HA 0.285 4.627 4.340 0.002 0.000 0.281 277 R C -0.523 175.792 176.300 0.025 0.000 1.050 277 R CA -0.404 55.703 56.100 0.012 0.000 1.055 277 R CB 1.418 31.733 30.300 0.025 0.000 1.045 277 R HN 0.361 8.631 8.270 -0.000 0.000 0.495 278 A N 3.539 126.372 122.820 0.022 0.000 2.466 278 A HA 0.182 4.503 4.320 0.002 0.000 0.238 278 A C 0.244 177.875 177.584 0.077 0.000 1.074 278 A CA -0.126 51.926 52.037 0.024 0.000 0.774 278 A CB 0.239 19.243 19.000 0.006 0.000 1.015 278 A HN 0.541 8.691 8.150 -0.000 0.000 0.498 279 I N 1.805 122.436 120.570 0.101 0.000 2.297 279 I HA 0.179 4.350 4.170 0.002 0.000 0.291 279 I C 0.626 176.832 176.117 0.149 0.000 1.033 279 I CA 0.037 61.441 61.300 0.174 0.000 1.253 279 I CB 0.332 38.497 38.000 0.275 0.000 1.396 279 I HN 0.832 9.042 8.210 -0.000 0.000 0.476 280 E N 5.200 125.497 120.200 0.162 0.000 2.417 280 E HA 0.126 4.478 4.350 0.002 0.000 0.261 280 E C -0.782 175.925 176.600 0.178 0.000 1.000 280 E CA 0.456 56.949 56.400 0.155 0.000 0.919 280 E CB 0.650 30.506 29.700 0.259 0.000 0.955 280 E HN 0.582 8.942 8.360 -0.000 0.000 0.455 281 T N 4.014 118.594 114.554 0.042 0.000 2.909 281 T HA 0.365 4.716 4.350 0.002 0.000 0.299 281 T C -1.427 173.199 174.700 -0.124 0.000 1.073 281 T CA -0.544 61.618 62.100 0.103 0.000 0.999 281 T CB 0.643 69.576 68.868 0.108 0.000 1.098 281 T HN 0.304 8.544 8.240 -0.000 0.000 0.477 282 Y N 1.640 122.042 120.300 0.170 0.000 2.332 282 Y HA 0.478 5.029 4.550 0.002 0.000 0.326 282 Y C 0.268 176.315 175.900 0.246 0.000 0.978 282 Y CA -1.083 57.135 58.100 0.196 0.000 1.205 282 Y CB 0.872 39.445 38.460 0.188 0.000 1.131 282 Y HN 0.374 8.654 8.280 -0.000 0.000 0.462 283 L N 3.590 125.014 121.223 0.336 0.000 2.473 283 L HA 0.224 4.565 4.340 0.002 0.000 0.268 283 L C -0.677 176.509 176.870 0.527 0.000 1.215 283 L CA 0.013 55.081 54.840 0.379 0.000 0.823 283 L CB 0.511 42.751 42.059 0.302 0.000 1.099 283 L HN 0.583 8.813 8.230 -0.000 0.000 0.483 284 F N 1.571 121.744 119.950 0.371 0.000 2.689 284 F HA 0.660 5.188 4.527 0.002 0.000 0.332 284 F C -0.574 175.504 175.800 0.462 0.000 1.209 284 F CA -0.343 57.891 58.000 0.390 0.000 1.028 284 F CB 1.125 40.353 39.000 0.380 0.000 1.291 284 F HN 0.515 8.815 8.300 -0.000 0.000 0.500 285 A N 5.175 127.882 122.820 -0.188 0.000 2.524 285 A HA 0.621 4.942 4.320 0.002 0.000 0.289 285 A C 0.369 177.953 177.584 -0.001 0.000 1.248 285 A CA -0.574 51.370 52.037 -0.155 0.000 0.712 285 A CB 1.193 19.763 19.000 -0.717 0.000 1.312 285 A HN 0.830 8.980 8.150 -0.000 0.000 0.441 286 M N -0.265 119.363 119.600 0.047 0.000 2.082 286 M HA 0.062 4.543 4.480 0.002 0.000 0.258 286 M C -0.342 175.701 176.300 -0.429 0.000 1.071 286 M CA 2.072 57.258 55.300 -0.190 0.000 1.103 286 M CB -0.658 31.788 32.600 -0.256 0.000 1.307 286 M HN 0.534 8.824 8.290 -0.000 0.000 0.409 287 F N -0.441 119.620 119.950 0.184 0.000 2.556 287 F HA 0.349 4.877 4.527 0.002 0.000 0.327 287 F C 0.071 175.915 175.800 0.072 0.000 1.059 287 F CA -1.739 56.349 58.000 0.147 0.000 0.953 287 F CB 0.521 39.624 39.000 0.171 0.000 1.227 287 F HN -0.165 8.135 8.300 -0.000 0.000 0.478 288 D N 1.149 121.710 120.400 0.268 0.000 2.389 288 D HA 0.104 4.745 4.640 0.002 0.000 0.247 288 D C -0.527 175.857 176.300 0.141 0.000 1.128 288 D CA 0.176 54.260 54.000 0.140 0.000 0.884 288 D CB 0.903 41.772 40.800 0.114 0.000 1.194 288 D HN 0.565 8.935 8.370 -0.000 0.000 0.441 289 E N 1.266 121.516 120.200 0.084 0.000 2.167 289 E HA 0.025 4.376 4.350 0.002 0.000 0.247 289 E C 0.691 177.314 176.600 0.037 0.000 0.961 289 E CA -0.405 56.042 56.400 0.078 0.000 0.797 289 E CB 0.290 30.040 29.700 0.083 0.000 1.182 289 E HN 0.314 8.674 8.360 -0.000 0.000 0.437 290 N N 2.267 120.985 118.700 0.030 0.000 2.651 290 N HA -0.196 4.545 4.740 0.002 0.000 0.193 290 N C 0.688 176.211 175.510 0.021 0.000 1.149 290 N CA 0.924 53.980 53.050 0.011 0.000 0.933 290 N CB 0.124 38.628 38.487 0.028 0.000 0.974 290 N HN 0.225 8.605 8.380 -0.000 0.000 0.448 291 K N -0.546 119.871 120.400 0.029 0.000 2.354 291 K HA 0.139 4.460 4.320 0.002 0.000 0.194 291 K C 0.129 176.748 176.600 0.031 0.000 1.038 291 K CA -0.040 56.264 56.287 0.029 0.000 1.052 291 K CB 0.509 33.025 32.500 0.026 0.000 0.861 291 K HN 0.223 8.473 8.250 -0.000 0.000 0.535 292 K N 1.228 121.650 120.400 0.037 0.000 2.120 292 K HA 0.166 4.487 4.320 0.002 0.000 0.245 292 K C 0.132 176.761 176.600 0.049 0.000 1.024 292 K CA -0.124 56.190 56.287 0.044 0.000 0.906 292 K CB 0.584 33.120 32.500 0.061 0.000 1.051 292 K HN -0.161 8.089 8.250 -0.000 0.000 0.491 293 Q N 1.245 121.074 119.800 0.048 0.000 2.359 293 Q HA 0.376 4.717 4.340 0.002 0.000 0.274 293 Q C -2.178 173.857 176.000 0.058 0.000 1.074 293 Q CA -1.752 54.083 55.803 0.054 0.000 0.810 293 Q CB 1.789 30.550 28.738 0.039 0.000 1.342 293 Q HN 0.546 8.816 8.270 -0.000 0.000 0.427 294 P HA 0.145 4.565 4.420 -0.000 0.000 0.307 294 P C 0.531 177.904 177.300 0.120 0.000 1.306 294 P CA -0.200 62.956 63.100 0.092 0.000 0.742 294 P CB 0.995 32.753 31.700 0.097 0.000 1.349 295 E N -0.324 119.955 120.200 0.130 0.000 2.070 295 E HA -0.170 4.181 4.350 0.002 0.000 0.197 295 E C 1.758 178.489 176.600 0.218 0.000 1.004 295 E CA 1.413 57.908 56.400 0.158 0.000 0.805 295 E CB -1.192 28.608 29.700 0.167 0.000 0.744 295 E HN 0.135 8.495 8.360 -0.000 0.000 0.451 296 V N 0.937 120.998 119.914 0.245 0.000 2.594 296 V HA -0.151 3.970 4.120 0.002 0.000 0.253 296 V C 1.197 177.486 176.094 0.325 0.000 1.069 296 V CA 1.921 64.387 62.300 0.277 0.000 1.082 296 V CB -0.419 31.563 31.823 0.264 0.000 0.680 296 V HN 0.259 8.449 8.190 -0.000 0.000 0.469 297 E N 0.054 120.449 120.200 0.324 0.000 2.505 297 E HA -0.062 4.289 4.350 0.002 0.000 0.197 297 E C 1.444 178.181 176.600 0.228 0.000 1.111 297 E CA 0.354 56.974 56.400 0.367 0.000 0.887 297 E CB -0.030 29.800 29.700 0.217 0.000 0.913 297 E HN 0.661 9.021 8.360 -0.000 0.000 0.517 298 K N -0.177 120.258 120.400 0.058 0.000 2.358 298 K HA 0.107 4.428 4.320 0.002 0.000 0.200 298 K C 0.529 176.865 176.600 -0.440 0.000 1.030 298 K CA 0.076 56.245 56.287 -0.197 0.000 1.097 298 K CB 0.661 32.948 32.500 -0.356 0.000 0.862 298 K HN 0.110 8.360 8.250 -0.000 0.000 0.534 299 H N -0.952 118.182 119.070 0.107 0.000 2.549 299 H HA 0.155 4.712 4.556 0.002 0.000 0.253 299 H C 0.086 175.333 175.328 -0.136 0.000 1.170 299 H CA -0.228 55.817 56.048 -0.006 0.000 0.943 299 H CB 0.114 29.847 29.762 -0.049 0.000 1.849 299 H HN 0.068 8.348 8.280 -0.000 0.000 0.603 300 F N 0.873 120.836 119.950 0.022 0.000 2.765 300 F HA 0.194 4.722 4.527 0.002 0.000 0.302 300 F C 1.960 177.723 175.800 -0.062 0.000 1.111 300 F CA -0.139 57.852 58.000 -0.015 0.000 1.359 300 F CB 0.475 39.433 39.000 -0.070 0.000 1.097 300 F HN 0.153 8.453 8.300 -0.000 0.000 0.577 301 G N 0.214 109.053 108.800 0.065 0.000 2.484 301 G HA2 0.155 4.116 3.960 0.002 0.000 0.235 301 G HA3 0.155 4.116 3.960 0.002 0.000 0.235 301 G C 0.580 175.428 174.900 -0.087 0.000 1.282 301 G CA -0.267 44.833 45.100 -0.000 0.000 0.857 301 G HN 0.148 8.438 8.290 -0.000 0.000 0.571 302 L N 0.924 122.091 121.223 -0.093 0.000 2.408 302 L HA 0.417 4.758 4.340 0.002 0.000 0.215 302 L C 0.392 176.923 176.870 -0.564 0.000 1.081 302 L CA 0.628 55.336 54.840 -0.219 0.000 0.840 302 L CB -0.227 41.807 42.059 -0.041 0.000 1.002 302 L HN 0.455 8.685 8.230 -0.000 0.000 0.468 303 F N -2.496 117.223 119.950 -0.384 0.000 2.538 303 F HA 0.448 4.976 4.527 0.002 0.000 0.325 303 F C 0.167 175.874 175.800 -0.155 0.000 1.066 303 F CA -0.973 56.836 58.000 -0.318 0.000 0.946 303 F CB 1.237 40.013 39.000 -0.373 0.000 1.199 303 F HN -0.340 7.960 8.300 -0.000 0.000 0.473 304 F N 1.849 122.004 119.950 0.341 0.000 2.362 304 F HA 0.358 4.887 4.527 0.002 0.000 0.311 304 F C -1.345 174.717 175.800 0.438 0.000 1.161 304 F CA -1.886 56.309 58.000 0.324 0.000 1.085 304 F CB 0.095 39.257 39.000 0.269 0.000 1.311 304 F HN 0.259 8.559 8.300 -0.000 0.000 0.524 305 P HA -0.123 4.297 4.420 -0.000 0.000 0.219 305 P C 0.575 178.050 177.300 0.293 0.000 1.150 305 P CA 1.325 64.626 63.100 0.336 0.000 0.814 305 P CB -0.092 31.725 31.700 0.196 0.000 0.787 306 N N -0.050 118.841 118.700 0.318 0.000 2.635 306 N HA -0.136 4.605 4.740 0.002 0.000 0.191 306 N C 0.384 176.109 175.510 0.358 0.000 1.155 306 N CA 0.659 53.870 53.050 0.269 0.000 0.927 306 N CB -0.981 37.635 38.487 0.216 0.000 0.976 306 N HN 0.058 8.438 8.380 -0.000 0.000 0.448 307 K N -2.708 117.971 120.400 0.465 0.000 3.472 307 K HA -0.200 4.121 4.320 0.002 0.000 0.315 307 K C -0.797 176.148 176.600 0.575 0.000 1.320 307 K CA 0.832 57.402 56.287 0.472 0.000 0.962 307 K CB -1.522 31.152 32.500 0.289 0.000 1.251 307 K HN 0.544 8.794 8.250 -0.000 0.000 0.443 308 W N 2.394 123.941 121.300 0.411 0.000 2.381 308 W HA 0.254 4.915 4.660 0.002 0.000 0.329 308 W C 0.386 177.133 176.519 0.380 0.000 1.157 308 W CA -0.457 57.105 57.345 0.361 0.000 1.240 308 W CB 0.814 30.439 29.460 0.276 0.000 1.199 308 W HN 0.093 8.273 8.180 -0.000 0.000 0.579 309 Q N 2.561 122.049 119.800 -0.520 0.000 2.382 309 Q HA 0.017 4.358 4.340 0.002 0.000 0.229 309 Q C 0.974 176.688 176.000 -0.477 0.000 1.006 309 Q CA 0.468 55.825 55.803 -0.744 0.000 0.916 309 Q CB 1.446 29.623 28.738 -0.935 0.000 1.235 309 Q HN 0.495 8.765 8.270 -0.000 0.000 0.512 310 K N 0.528 120.482 120.400 -0.744 0.000 2.214 310 K HA 0.003 4.324 4.320 0.002 0.000 0.201 310 K C 0.565 176.773 176.600 -0.653 0.000 1.049 310 K CA 0.642 56.429 56.287 -0.833 0.000 0.978 310 K CB 0.498 32.095 32.500 -1.504 0.000 0.842 310 K HN 0.499 8.749 8.250 -0.000 0.000 0.474 311 Y N -0.220 119.850 120.300 -0.384 0.000 2.500 311 Y HA 0.222 4.773 4.550 0.002 0.000 0.246 311 Y C -0.197 175.513 175.900 -0.318 0.000 1.146 311 Y CA -1.126 56.739 58.100 -0.392 0.000 1.230 311 Y CB 0.050 38.228 38.460 -0.470 0.000 1.214 311 Y HN 0.041 8.321 8.280 -0.000 0.000 0.526 312 N N 1.134 119.688 118.700 -0.244 0.000 2.696 312 N HA -0.194 4.547 4.740 0.002 0.000 0.256 312 N C -1.202 174.138 175.510 -0.284 0.000 1.031 312 N CA 0.305 53.198 53.050 -0.262 0.000 0.730 312 N CB -1.175 37.233 38.487 -0.132 0.000 0.894 312 N HN 0.336 8.716 8.380 -0.000 0.000 0.544 313 L N 0.277 121.247 121.223 -0.422 0.000 2.421 313 L HA 0.396 4.737 4.340 0.002 0.000 0.263 313 L C 0.476 176.984 176.870 -0.604 0.000 1.122 313 L CA -0.752 53.740 54.840 -0.580 0.000 0.804 313 L CB 0.824 42.359 42.059 -0.874 0.000 1.150 313 L HN 0.269 8.499 8.230 -0.000 0.000 0.457 314 N N 0.583 118.971 118.700 -0.519 0.000 2.564 314 N HA 0.304 5.045 4.740 0.002 0.000 0.248 314 N C -0.087 175.226 175.510 -0.329 0.000 0.986 314 N CA -0.366 52.493 53.050 -0.318 0.000 0.921 314 N CB 0.903 39.284 38.487 -0.177 0.000 1.136 314 N HN 0.401 8.781 8.380 -0.000 0.000 0.509 315 F N 0.290 120.172 119.950 -0.113 0.000 2.187 315 F HA -0.058 4.470 4.527 0.002 0.000 0.295 315 F C 1.873 177.616 175.800 -0.096 0.000 1.091 315 F CA -0.119 57.815 58.000 -0.110 0.000 1.308 315 F CB -0.465 38.471 39.000 -0.107 0.000 1.030 315 F HN 0.302 8.602 8.300 -0.000 0.000 0.487 316 S N 0.000 115.779 115.700 0.131 0.000 2.498 316 S HA 0.000 4.471 4.470 0.002 0.000 0.327 316 S CA 0.000 58.224 58.200 0.041 0.000 1.107 316 S CB 0.000 63.216 63.200 0.026 0.000 0.593 316 S HN 0.000 8.310 8.310 -0.000 0.000 0.517