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 1ezp_1_A DATA FIRST_RESID 1 DATA SEQUENCE KTEEGKLVIW INGDKGYNGL AEVGKKFEKD TGIKVTVEHP DKLEEKFPQV DATA SEQUENCE AATGDGPDII FWAHDRFGGY AQSGLLAEIT PDKAFQDKLY PFTWDAVRYN DATA SEQUENCE GKLIAYPIAV EALSLIYNKD LLPNPPKTWE EIPALDKELK AKGKSALMFN DATA SEQUENCE LQEPYFTWPL IAADGGYAFK YENGKYDIKD VGVDNAGAKA GLTFLVDLIK DATA SEQUENCE NKHMNADTDY SIAEAAFNKG ETAMTINGPW AWSNIDTSKV NYGVTVLPTF DATA SEQUENCE KGQPSKPFVG VLSAGINAAS PNKELAKEFL ENYLLTDEGL EAVNKDKPLG DATA SEQUENCE AVALKSYEEE LAKDPRIAAT MENAQKGEIM PNIPQMSAFW YAVRTAVINA DATA SEQUENCE ASGRQTVDEA LKDAQTRITK 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 K HA 0.000 4.310 4.320 -0.016 0.000 0.191 1 K C 0.000 176.589 176.600 -0.018 0.000 0.988 1 K CA 0.000 56.278 56.287 -0.015 0.000 0.838 1 K CB 0.000 32.492 32.500 -0.013 0.000 1.064 2 T N 0.672 115.213 114.554 -0.022 0.000 2.906 2 T HA 0.346 4.682 4.350 -0.023 0.000 0.295 2 T C -1.434 173.247 174.700 -0.033 0.000 1.061 2 T CA -0.702 61.383 62.100 -0.026 0.000 1.000 2 T CB 1.862 70.715 68.868 -0.026 0.000 1.103 2 T HN -0.113 8.114 8.240 -0.023 0.000 0.486 3 E N 0.326 120.504 120.200 -0.036 0.000 2.336 3 E HA 0.251 4.568 4.350 -0.055 0.000 0.267 3 E C -1.081 175.487 176.600 -0.053 0.000 0.906 3 E CA -0.560 55.811 56.400 -0.048 0.000 0.781 3 E CB 1.496 31.169 29.700 -0.045 0.000 1.261 3 E HN -0.000 8.341 8.360 -0.032 0.000 0.436 4 E N -0.494 119.663 120.200 -0.072 0.000 2.456 4 E HA 0.358 4.673 4.350 -0.058 0.000 0.276 4 E C -1.500 175.042 176.600 -0.097 0.000 0.981 4 E CA -1.311 55.045 56.400 -0.074 0.000 0.814 4 E CB 2.640 32.295 29.700 -0.075 0.000 1.382 4 E HN 0.533 8.840 8.360 -0.087 0.000 0.459 5 G N 0.243 108.994 108.800 -0.082 0.000 4.716 5 G HA2 0.120 3.999 3.960 -0.135 0.000 0.282 5 G HA3 0.120 4.051 3.960 -0.048 0.000 0.282 5 G C -2.322 172.537 174.900 -0.068 0.000 1.173 5 G CA 0.076 45.126 45.100 -0.084 0.000 0.913 5 G HN 0.074 8.324 8.290 -0.066 0.000 0.566 6 K N 0.378 120.722 120.400 -0.093 0.000 2.562 6 K HA 0.863 5.364 4.320 -0.060 -0.217 0.267 6 K C -1.795 174.739 176.600 -0.110 0.000 0.938 6 K CA -0.552 55.686 56.287 -0.082 0.000 0.840 6 K CB 3.239 35.699 32.500 -0.068 0.000 1.390 6 K HN -0.621 7.561 8.250 -0.113 0.000 0.428 7 L N 3.147 124.301 121.223 -0.115 0.000 2.455 7 L HA 0.327 4.591 4.340 -0.127 0.000 0.264 7 L C -1.510 175.271 176.870 -0.148 0.000 0.968 7 L CA 0.061 54.821 54.840 -0.134 0.000 0.827 7 L CB 3.935 45.903 42.059 -0.151 0.000 1.317 7 L HN -0.002 8.169 8.230 -0.098 0.000 0.407 8 V N 2.796 122.609 119.914 -0.167 0.000 2.394 8 V HA 0.262 4.400 4.120 -0.211 -0.144 0.282 8 V C -1.549 174.430 176.094 -0.191 0.000 1.031 8 V CA -0.174 61.989 62.300 -0.228 0.000 0.881 8 V CB 1.310 32.924 31.823 -0.348 0.000 0.982 8 V HN 0.253 8.351 8.190 -0.154 0.000 0.451 9 I N 4.679 125.154 120.570 -0.159 0.000 2.577 9 I HA 0.250 4.619 4.170 0.084 -0.149 0.300 9 I C -1.575 174.554 176.117 0.019 0.000 0.990 9 I CA -1.108 60.188 61.300 -0.006 0.000 1.283 9 I CB 3.246 41.264 38.000 0.031 0.000 1.411 9 I HN 0.894 8.880 8.210 -0.180 0.116 0.515 10 W N 6.912 128.304 121.300 0.154 0.000 2.687 10 W HA 0.415 5.367 4.660 0.107 -0.227 0.328 10 W C -2.045 174.620 176.519 0.243 0.000 1.012 10 W CA -2.237 55.206 57.345 0.164 0.000 1.262 10 W CB 2.567 32.122 29.460 0.159 0.000 1.331 10 W HN -0.227 8.170 8.180 0.452 0.054 0.433 11 I N -2.177 118.673 120.570 0.466 0.000 2.498 11 I HA 0.465 4.847 4.170 0.354 0.000 0.290 11 I C -2.744 173.559 176.117 0.309 0.000 1.032 11 I CA -1.471 60.027 61.300 0.329 0.000 1.073 11 I CB 3.208 41.316 38.000 0.180 0.000 1.251 11 I HN 0.014 8.508 8.210 0.473 0.000 0.426 12 N N 5.370 124.226 118.700 0.260 0.000 2.765 12 N HA 0.150 5.004 4.740 0.190 0.000 0.277 12 N C -0.343 175.253 175.510 0.143 0.000 1.750 12 N CA -0.435 52.740 53.050 0.209 0.000 0.827 12 N CB -0.025 38.592 38.487 0.218 0.000 1.200 12 N HN 0.505 9.050 8.380 0.275 0.000 0.494 13 G N 0.693 109.562 108.800 0.114 0.000 2.559 13 G HA2 -0.094 3.924 3.960 0.097 0.000 0.202 13 G HA3 -0.094 3.872 3.960 0.010 0.000 0.202 13 G C -0.745 174.195 174.900 0.066 0.000 0.992 13 G CA -0.140 45.002 45.100 0.071 0.000 0.764 13 G HN -0.279 8.093 8.290 0.137 0.000 0.525 14 D N 0.009 120.451 120.400 0.071 0.000 2.249 14 D HA 0.006 4.653 4.640 0.012 0.000 0.205 14 D C 0.472 176.822 176.300 0.083 0.000 0.962 14 D CA 0.699 54.720 54.000 0.036 0.000 0.860 14 D CB 0.284 41.068 40.800 -0.027 0.000 0.955 14 D HN 0.060 8.488 8.370 0.096 0.000 0.505 15 K N -3.298 117.185 120.400 0.138 0.000 9.746 15 K HA -0.406 4.075 4.320 0.269 0.000 0.453 15 K C -0.469 176.273 176.600 0.238 0.000 0.567 15 K CA 1.366 57.780 56.287 0.212 0.000 1.620 15 K CB -0.950 31.656 32.500 0.177 0.000 0.787 15 K HN -0.174 8.161 8.250 0.143 0.000 1.126 16 G N 0.337 109.243 108.800 0.177 0.000 2.144 16 G HA2 -0.257 3.781 3.960 0.130 0.000 0.251 16 G HA3 -0.257 3.748 3.960 0.076 0.000 0.251 16 G C 0.454 175.460 174.900 0.176 0.000 0.780 16 G CA 0.653 45.838 45.100 0.141 0.000 1.183 16 G HN 0.041 8.418 8.290 0.145 0.000 0.345 17 Y N 3.132 123.463 120.300 0.051 0.000 2.138 17 Y HA -0.278 4.314 4.550 0.070 0.000 0.286 17 Y C 1.718 177.642 175.900 0.040 0.000 1.115 17 Y CA 2.647 60.780 58.100 0.056 0.000 1.105 17 Y CB 0.516 39.010 38.460 0.057 0.000 1.004 17 Y HN -0.078 8.431 8.280 0.383 0.000 0.494 18 N N -0.903 117.918 118.700 0.201 0.000 2.300 18 N HA -0.150 4.651 4.740 0.101 0.000 0.179 18 N C 2.238 177.786 175.510 0.063 0.000 1.016 18 N CA 2.167 55.283 53.050 0.110 0.000 0.876 18 N CB -0.512 38.032 38.487 0.095 0.000 0.979 18 N HN 0.131 8.651 8.380 0.233 0.000 0.432 19 G N -0.038 108.798 108.800 0.060 0.000 2.511 19 G HA2 -0.283 3.689 3.960 0.019 0.000 0.216 19 G HA3 -0.283 3.802 3.960 0.021 -0.111 0.216 19 G C 0.720 175.618 174.900 -0.004 0.000 1.218 19 G CA 2.003 47.117 45.100 0.023 0.000 0.788 19 G HN -0.236 8.147 8.290 0.088 -0.040 0.560 20 L N 0.824 122.043 121.223 -0.006 0.000 2.201 20 L HA -0.280 4.027 4.340 -0.054 0.000 0.212 20 L C 1.802 178.668 176.870 -0.006 0.000 1.105 20 L CA 2.248 57.076 54.840 -0.020 0.000 0.775 20 L CB -0.074 41.981 42.059 -0.006 0.000 0.913 20 L HN -0.659 7.577 8.230 0.010 0.000 0.440 21 A N -1.116 121.704 122.820 0.001 0.000 1.892 21 A HA -0.425 3.893 4.320 -0.004 0.000 0.218 21 A C 2.018 179.614 177.584 0.020 0.000 1.188 21 A CA 3.214 55.256 52.037 0.008 0.000 0.631 21 A CB -1.023 17.990 19.000 0.022 0.000 0.822 21 A HN -0.412 7.628 8.150 0.008 0.115 0.447 22 E N -2.671 117.541 120.200 0.020 0.000 2.016 22 E HA -0.292 4.077 4.350 0.032 0.000 0.190 22 E C 2.274 178.897 176.600 0.039 0.000 0.985 22 E CA 2.482 58.898 56.400 0.026 0.000 0.802 22 E CB -0.342 29.370 29.700 0.020 0.000 0.762 22 E HN -0.709 7.660 8.360 0.016 0.000 0.448 23 V N -2.034 117.887 119.914 0.012 0.000 2.370 23 V HA -0.459 3.709 4.120 0.080 0.000 0.252 23 V C 2.167 178.318 176.094 0.095 0.000 1.068 23 V CA 3.050 65.359 62.300 0.015 0.000 1.061 23 V CB -1.363 30.351 31.823 -0.183 0.000 0.656 23 V HN -0.852 7.330 8.190 -0.012 0.000 0.455 24 G N -2.039 106.803 108.800 0.070 0.000 2.402 24 G HA2 -0.342 3.708 3.960 0.150 0.000 0.216 24 G HA3 -0.342 3.670 3.960 0.086 0.000 0.216 24 G C 0.649 175.636 174.900 0.144 0.000 1.162 24 G CA 1.847 47.017 45.100 0.116 0.000 0.777 24 G HN -0.022 8.267 8.290 0.035 0.021 0.539 25 K N 1.743 122.207 120.400 0.107 0.000 2.167 25 K HA -0.084 4.515 4.320 0.095 -0.222 0.203 25 K C 2.050 178.720 176.600 0.116 0.000 1.052 25 K CA 1.894 58.239 56.287 0.096 0.000 0.956 25 K CB 0.006 32.541 32.500 0.058 0.000 0.735 25 K HN -0.555 7.664 8.250 0.081 0.080 0.451 26 K N -1.052 119.427 120.400 0.132 0.000 2.097 26 K HA -0.280 4.068 4.320 0.046 0.000 0.206 26 K C 2.484 179.142 176.600 0.096 0.000 1.049 26 K CA 3.118 59.461 56.287 0.093 0.000 0.933 26 K CB -0.229 32.314 32.500 0.072 0.000 0.717 26 K HN -0.189 8.141 8.250 0.133 0.000 0.442 27 F N -2.188 117.772 119.950 0.018 0.000 2.074 27 F HA -0.234 4.287 4.527 -0.011 0.000 0.293 27 F C 2.792 178.623 175.800 0.051 0.000 1.116 27 F CA 3.757 61.774 58.000 0.027 0.000 1.212 27 F CB 0.111 39.156 39.000 0.074 0.000 0.998 27 F HN -0.773 7.807 8.300 0.490 0.015 0.471 28 E N -1.004 119.357 120.200 0.268 0.000 2.219 28 E HA -0.443 4.094 4.350 0.185 -0.077 0.198 28 E C 2.652 179.311 176.600 0.098 0.000 0.998 28 E CA 2.744 59.244 56.400 0.166 0.000 0.818 28 E CB -1.222 28.555 29.700 0.127 0.000 0.741 28 E HN 0.090 8.631 8.360 0.302 0.000 0.477 29 K N -1.008 119.438 120.400 0.077 0.000 2.152 29 K HA -0.265 4.076 4.320 0.036 0.000 0.206 29 K C 1.140 177.748 176.600 0.014 0.000 1.048 29 K CA 2.472 58.780 56.287 0.035 0.000 0.933 29 K CB -0.336 32.175 32.500 0.019 0.000 0.721 29 K HN -0.580 7.601 8.250 0.101 0.130 0.447 30 D N -2.734 117.667 120.400 0.002 0.000 2.078 30 D HA -0.168 4.453 4.640 -0.030 0.000 0.193 30 D C 0.582 176.892 176.300 0.017 0.000 0.990 30 D CA 2.582 56.574 54.000 -0.014 0.000 0.827 30 D CB 1.027 41.800 40.800 -0.045 0.000 0.975 30 D HN 0.061 8.294 8.370 0.009 0.142 0.451 31 T N -6.575 108.006 114.554 0.046 0.000 5.420 31 T HA -0.009 4.367 4.350 0.043 0.000 0.275 31 T C -0.561 174.182 174.700 0.072 0.000 0.910 31 T CA 0.530 62.660 62.100 0.049 0.000 0.379 31 T CB -1.004 67.885 68.868 0.034 0.000 0.453 31 T HN -0.368 7.911 8.240 0.066 0.000 0.190 32 G N 0.674 109.538 108.800 0.106 0.000 3.715 32 G HA2 -0.130 3.884 3.960 0.090 0.000 0.228 32 G HA3 -0.130 3.896 3.960 0.110 0.000 0.228 32 G C -1.888 173.131 174.900 0.198 0.000 1.825 32 G CA 0.980 46.153 45.100 0.122 0.000 1.134 32 G HN -0.614 7.746 8.290 0.116 0.000 0.556 33 I N -1.002 119.710 120.570 0.236 0.000 2.542 33 I HA 0.051 4.434 4.170 0.354 0.000 0.278 33 I C -2.539 173.724 176.117 0.244 0.000 1.069 33 I CA -0.305 61.208 61.300 0.355 0.000 1.100 33 I CB 0.863 39.223 38.000 0.601 0.000 1.204 33 I HN -0.576 7.748 8.210 0.190 0.000 0.470 34 K N 6.589 127.075 120.400 0.144 0.000 2.358 34 K HA 0.431 4.810 4.320 0.098 0.000 0.260 34 K C -2.061 174.557 176.600 0.029 0.000 0.956 34 K CA -1.281 55.053 56.287 0.078 0.000 0.834 34 K CB 2.751 35.275 32.500 0.039 0.000 1.102 34 K HN -0.120 8.202 8.250 0.120 0.000 0.431 35 V N 5.969 125.894 119.914 0.018 0.000 2.555 35 V HA 0.648 4.890 4.120 -0.074 -0.166 0.302 35 V C -0.703 175.358 176.094 -0.055 0.000 1.038 35 V CA -2.730 59.545 62.300 -0.041 0.000 0.887 35 V CB 3.204 34.997 31.823 -0.051 0.000 0.991 35 V HN 0.446 8.664 8.190 0.047 0.000 0.434 36 T N 11.269 125.762 114.554 -0.102 0.000 2.733 36 T HA 0.252 4.538 4.350 -0.106 0.000 0.294 36 T C -1.147 173.461 174.700 -0.154 0.000 0.956 36 T CA -0.279 61.743 62.100 -0.131 0.000 0.987 36 T CB 0.700 69.466 68.868 -0.169 0.000 0.920 36 T HN 0.879 8.933 8.240 -0.121 0.113 0.470 37 V N 6.705 126.533 119.914 -0.143 0.000 2.389 37 V HA 0.059 4.106 4.120 -0.121 0.000 0.264 37 V C -1.091 174.848 176.094 -0.259 0.000 1.049 37 V CA 0.167 62.372 62.300 -0.159 0.000 0.932 37 V CB -0.127 31.615 31.823 -0.134 0.000 1.011 37 V HN 0.479 8.594 8.190 -0.125 0.000 0.475 38 E N 6.756 126.795 120.200 -0.270 0.000 2.343 38 E HA 0.324 4.392 4.350 -0.469 0.000 0.270 38 E C -2.210 174.346 176.600 -0.074 0.000 0.895 38 E CA -2.286 53.910 56.400 -0.340 0.000 0.767 38 E CB 4.096 33.509 29.700 -0.478 0.000 1.248 38 E HN 0.182 8.423 8.360 -0.198 0.000 0.440 39 H N 0.007 119.187 119.070 0.184 0.000 2.759 39 H HA 0.631 5.606 4.556 0.421 -0.167 0.354 39 H C -2.292 173.235 175.328 0.333 0.000 1.074 39 H CA -3.666 52.562 56.048 0.300 0.000 1.226 39 H CB 0.921 30.782 29.762 0.166 0.000 1.648 39 H HN 0.235 8.370 8.280 -0.243 0.000 0.529 40 P HA 0.110 4.698 4.420 0.280 0.000 0.297 40 P C -1.404 175.961 177.300 0.108 0.000 1.307 40 P CA -0.726 62.495 63.100 0.202 0.000 0.773 40 P CB 1.407 33.026 31.700 -0.136 0.000 1.265 41 D N -3.087 117.329 120.400 0.027 0.000 1.825 41 D HA 0.012 4.662 4.640 0.018 0.000 0.468 41 D C -0.472 175.812 176.300 -0.026 0.000 1.150 41 D CA 1.688 55.696 54.000 0.013 0.000 1.197 41 D CB 0.370 41.190 40.800 0.035 0.000 2.044 41 D HN 0.302 8.666 8.370 -0.009 0.000 0.452 42 K N -0.189 120.193 120.400 -0.029 0.000 2.402 42 K HA 0.154 4.438 4.320 -0.061 0.000 0.204 42 K C 0.534 177.087 176.600 -0.080 0.000 1.056 42 K CA 0.141 56.398 56.287 -0.049 0.000 1.069 42 K CB 0.235 32.721 32.500 -0.023 0.000 0.888 42 K HN -0.073 8.176 8.250 -0.003 0.000 0.546 43 L N 1.778 122.940 121.223 -0.101 0.000 2.450 43 L HA -0.293 3.990 4.340 -0.095 0.000 0.224 43 L C 1.099 177.864 176.870 -0.174 0.000 1.149 43 L CA 2.073 56.826 54.840 -0.145 0.000 0.816 43 L CB -0.367 41.555 42.059 -0.229 0.000 0.932 43 L HN -0.011 8.169 8.230 -0.083 0.000 0.449 44 E N -0.972 119.100 120.200 -0.213 0.000 2.171 44 E HA -0.357 3.790 4.350 -0.337 0.000 0.197 44 E C 1.315 177.807 176.600 -0.180 0.000 0.997 44 E CA 2.688 58.927 56.400 -0.269 0.000 0.810 44 E CB -0.398 29.113 29.700 -0.316 0.000 0.738 44 E HN 0.305 8.467 8.360 -0.205 0.075 0.467 45 E N -3.010 117.116 120.200 -0.124 0.000 2.276 45 E HA -0.018 4.268 4.350 -0.105 0.000 0.193 45 E C 0.796 177.364 176.600 -0.054 0.000 0.983 45 E CA 1.124 57.470 56.400 -0.090 0.000 0.861 45 E CB 0.236 29.891 29.700 -0.076 0.000 0.817 45 E HN -0.644 7.623 8.360 -0.119 0.023 0.485 46 K N -0.572 119.796 120.400 -0.055 0.000 2.296 46 K HA -0.105 4.194 4.320 -0.035 0.000 0.200 46 K C 1.590 178.166 176.600 -0.040 0.000 1.048 46 K CA 1.810 58.068 56.287 -0.047 0.000 0.966 46 K CB -0.034 32.431 32.500 -0.058 0.000 0.754 46 K HN -0.578 7.520 8.250 -0.074 0.108 0.466 47 F N 2.542 122.375 119.950 -0.195 0.000 2.032 47 F HA -0.390 4.009 4.527 -0.213 0.000 0.297 47 F C -1.393 174.327 175.800 -0.133 0.000 1.125 47 F CA 5.707 63.579 58.000 -0.213 0.000 1.202 47 F CB -2.174 36.638 39.000 -0.314 0.000 0.958 47 F HN 0.248 8.534 8.300 0.029 0.031 0.491 48 P HA -0.251 4.269 4.420 0.166 0.000 0.223 48 P C 1.233 178.566 177.300 0.054 0.000 1.144 48 P CA 2.439 65.606 63.100 0.113 0.000 0.783 48 P CB -0.554 31.178 31.700 0.053 0.000 0.771 49 Q N -1.685 118.127 119.800 0.019 0.000 2.178 49 Q HA -0.058 4.285 4.340 0.005 0.000 0.195 49 Q C 2.025 178.014 176.000 -0.019 0.000 0.960 49 Q CA 2.465 58.267 55.803 -0.002 0.000 0.843 49 Q CB 0.803 29.534 28.738 -0.012 0.000 0.927 49 Q HN -0.216 7.879 8.270 0.016 0.185 0.487 50 V N -4.002 115.881 119.914 -0.051 0.000 3.380 50 V HA -0.083 4.011 4.120 -0.043 0.000 0.268 50 V C 0.965 177.004 176.094 -0.091 0.000 1.168 50 V CA 1.193 63.450 62.300 -0.072 0.000 1.156 50 V CB -0.874 30.892 31.823 -0.095 0.000 0.785 50 V HN 0.376 8.412 8.190 -0.061 0.117 0.487 51 A N 1.004 123.779 122.820 -0.074 0.000 1.935 51 A HA -0.065 4.199 4.320 -0.094 0.000 0.214 51 A C 1.721 179.307 177.584 0.003 0.000 1.178 51 A CA 2.290 54.306 52.037 -0.036 0.000 0.640 51 A CB -0.695 18.361 19.000 0.095 0.000 0.825 51 A HN 0.061 8.124 8.150 -0.041 0.063 0.447 52 A N -1.935 120.892 122.820 0.011 0.000 2.194 52 A HA -0.237 4.093 4.320 0.017 0.000 0.220 52 A C 1.181 178.764 177.584 -0.001 0.000 1.162 52 A CA 2.574 54.617 52.037 0.009 0.000 0.674 52 A CB -1.031 17.975 19.000 0.009 0.000 0.789 52 A HN 0.196 8.354 8.150 0.013 0.000 0.470 53 T N -3.478 111.069 114.554 -0.011 0.000 3.035 53 T HA -0.074 4.269 4.350 -0.011 0.000 0.259 53 T C 0.671 175.363 174.700 -0.013 0.000 1.078 53 T CA 0.467 62.559 62.100 -0.014 0.000 1.132 53 T CB 0.629 69.485 68.868 -0.020 0.000 0.900 53 T HN -0.466 7.685 8.240 -0.017 0.078 0.480 54 G N -0.212 108.580 108.800 -0.012 0.000 2.174 54 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.140 54 G HA3 -0.233 3.721 3.960 -0.010 0.000 0.140 54 G C -1.246 173.648 174.900 -0.010 0.000 1.031 54 G CA -0.460 44.636 45.100 -0.008 0.000 0.728 54 G HN -0.267 7.894 8.290 -0.014 0.121 0.496 55 D N -1.113 119.273 120.400 -0.023 0.000 4.621 55 D HA -0.356 4.250 4.640 -0.057 0.000 0.241 55 D C 0.589 176.881 176.300 -0.013 0.000 1.065 55 D CA 1.376 55.361 54.000 -0.025 0.000 1.247 55 D CB -0.310 40.490 40.800 0.000 0.000 0.793 55 D HN -0.546 7.805 8.370 -0.032 0.000 0.391 56 G N 3.505 112.292 108.800 -0.020 0.000 2.771 56 G HA2 -0.156 3.776 3.960 -0.047 0.000 0.214 56 G HA3 -0.156 3.766 3.960 -0.065 0.000 0.214 56 G C -1.529 173.331 174.900 -0.066 0.000 1.331 56 G CA 0.649 45.720 45.100 -0.049 0.000 0.812 56 G HN 0.510 8.791 8.290 -0.015 0.000 0.628 57 P HA -0.006 4.324 4.420 -0.151 0.000 0.285 57 P C -1.238 176.044 177.300 -0.029 0.000 1.282 57 P CA 0.031 63.044 63.100 -0.145 0.000 0.778 57 P CB 0.611 32.092 31.700 -0.364 0.000 1.222 58 D N -4.902 115.490 120.400 -0.013 0.000 3.120 58 D HA 0.124 4.819 4.640 0.091 0.000 0.331 58 D C -1.351 174.992 176.300 0.072 0.000 1.595 58 D CA -0.657 53.370 54.000 0.044 0.000 0.771 58 D CB 1.758 42.558 40.800 0.000 0.000 1.274 58 D HN -0.253 8.081 8.370 -0.061 0.000 0.503 59 I N -0.767 119.878 120.570 0.125 0.000 2.560 59 I HA 0.193 4.445 4.170 0.137 0.000 0.283 59 I C -2.722 173.602 176.117 0.344 0.000 1.115 59 I CA -0.848 60.550 61.300 0.163 0.000 1.066 59 I CB 1.256 39.297 38.000 0.068 0.000 1.221 59 I HN -0.383 7.909 8.210 0.135 0.000 0.450 60 I N 5.462 126.263 120.570 0.385 0.000 2.752 60 I HA 0.432 5.283 4.170 0.669 -0.280 0.295 60 I C -3.057 173.262 176.117 0.337 0.000 1.219 60 I CA -1.101 60.529 61.300 0.549 0.000 1.030 60 I CB 4.318 42.689 38.000 0.619 0.000 1.259 60 I HN -0.274 8.091 8.210 0.259 0.000 0.423 61 F N 5.562 125.668 119.950 0.260 0.000 2.467 61 F HA 0.388 4.820 4.527 -0.158 0.000 0.336 61 F C -1.840 174.076 175.800 0.193 0.000 1.123 61 F CA -1.480 56.561 58.000 0.068 0.000 0.964 61 F CB 2.768 41.803 39.000 0.058 0.000 1.136 61 F HN 0.196 8.918 8.300 0.704 0.000 0.447 62 W N 3.321 124.517 121.300 -0.173 0.000 3.074 62 W HA 0.292 4.951 4.660 -0.001 0.000 0.332 62 W C -2.525 173.938 176.519 -0.093 0.000 1.253 62 W CA -1.167 56.163 57.345 -0.025 0.000 1.180 62 W CB 3.840 33.433 29.460 0.223 0.000 1.445 62 W HN -0.057 7.855 8.180 -0.448 0.000 0.573 63 A N 0.734 123.017 122.820 -0.895 0.000 2.567 63 A HA -0.146 4.118 4.320 -0.344 -0.150 0.236 63 A C -0.145 177.418 177.584 -0.036 0.000 1.088 63 A CA 1.660 53.398 52.037 -0.499 0.000 0.776 63 A CB 0.743 19.346 19.000 -0.662 0.000 1.033 63 A HN 0.214 7.145 8.150 -2.030 0.000 0.513 64 H N -3.228 115.792 119.070 -0.083 0.000 2.470 64 H HA -0.179 4.468 4.556 0.152 0.000 0.289 64 H C 1.890 177.341 175.328 0.205 0.000 1.033 64 H CA 2.112 58.216 56.048 0.093 0.000 1.331 64 H CB 0.223 30.022 29.762 0.061 0.000 1.414 64 H HN 0.642 9.057 8.280 0.360 0.081 0.545 65 D N 0.037 120.291 120.400 -0.243 0.000 2.092 65 D HA -0.327 4.146 4.640 -0.277 0.000 0.193 65 D C 0.646 176.997 176.300 0.085 0.000 0.994 65 D CA 3.104 56.993 54.000 -0.184 0.000 0.828 65 D CB -0.841 39.867 40.800 -0.154 0.000 0.963 65 D HN 0.339 8.647 8.370 -0.103 0.000 0.450 66 R N -2.978 117.641 120.500 0.198 0.000 2.426 66 R HA -0.024 4.421 4.340 0.175 0.000 0.263 66 R C -0.802 175.672 176.300 0.290 0.000 0.961 66 R CA -0.292 55.955 56.100 0.244 0.000 1.086 66 R CB 0.133 30.615 30.300 0.304 0.000 1.186 66 R HN -0.383 8.001 8.270 0.189 0.000 0.537 67 F N -1.848 118.210 119.950 0.180 0.000 2.539 67 F HA 0.250 4.848 4.527 0.119 0.000 0.277 67 F C 0.954 176.835 175.800 0.134 0.000 0.925 67 F CA 1.968 60.066 58.000 0.163 0.000 1.193 67 F CB 2.525 41.646 39.000 0.201 0.000 1.128 67 F HN -0.597 7.734 8.300 0.393 0.204 0.740 68 G N -3.041 106.007 108.800 0.414 0.000 2.880 68 G HA2 -0.043 4.085 3.960 0.279 0.000 0.209 68 G HA3 -0.043 4.199 3.960 0.469 0.000 0.209 68 G C 0.133 175.076 174.900 0.072 0.000 1.157 68 G CA 0.727 46.028 45.100 0.335 0.000 0.779 68 G HN -0.196 8.378 8.290 0.474 0.000 0.539 69 G N -1.597 107.186 108.800 -0.027 0.000 2.709 69 G HA2 0.002 3.343 3.960 -1.031 0.000 0.208 69 G HA3 0.002 3.907 3.960 -0.249 -0.095 0.208 69 G C -0.520 174.261 174.900 -0.197 0.000 1.129 69 G CA -0.111 44.756 45.100 -0.388 0.000 0.793 69 G HN -0.717 7.600 8.290 0.135 0.053 0.524 70 Y N -0.072 120.131 120.300 -0.162 0.000 2.389 70 Y HA -0.186 4.276 4.550 -0.146 0.000 0.292 70 Y C 1.223 177.016 175.900 -0.178 0.000 1.117 70 Y CA 2.304 60.307 58.100 -0.163 0.000 1.195 70 Y CB 0.640 38.996 38.460 -0.173 0.000 1.076 70 Y HN -0.457 7.884 8.280 0.103 0.000 0.548 71 A N -0.785 122.019 122.820 -0.027 0.000 2.019 71 A HA -0.355 3.932 4.320 -0.054 0.000 0.219 71 A C 0.949 178.477 177.584 -0.092 0.000 1.164 71 A CA 2.968 54.953 52.037 -0.086 0.000 0.644 71 A CB -0.844 18.055 19.000 -0.168 0.000 0.805 71 A HN -0.531 7.609 8.150 -0.016 0.000 0.449 72 Q N -5.248 114.482 119.800 -0.117 0.000 2.368 72 Q HA -0.254 4.049 4.340 -0.061 0.000 0.210 72 Q C 0.716 176.640 176.000 -0.126 0.000 0.982 72 Q CA 1.968 57.704 55.803 -0.112 0.000 0.884 72 Q CB -0.588 28.053 28.738 -0.162 0.000 0.933 72 Q HN 0.421 8.579 8.270 -0.133 0.033 0.460 73 S N -1.339 114.254 115.700 -0.178 0.000 2.539 73 S HA 0.153 4.545 4.470 -0.131 0.000 0.226 73 S C 0.419 174.939 174.600 -0.133 0.000 1.054 73 S CA 1.054 59.148 58.200 -0.176 0.000 0.910 73 S CB 1.340 64.380 63.200 -0.267 0.000 0.818 73 S HN -0.488 7.633 8.310 -0.218 0.058 0.490 74 G N 2.551 111.280 108.800 -0.118 0.000 2.629 74 G HA2 -0.023 3.916 3.960 -0.036 0.000 0.213 74 G HA3 -0.023 3.942 3.960 0.008 0.000 0.213 74 G C -1.466 173.425 174.900 -0.015 0.000 1.425 74 G CA 0.697 45.775 45.100 -0.037 0.000 0.929 74 G HN -0.615 7.501 8.290 -0.147 0.086 0.527 75 L N -4.518 116.705 121.223 -0.001 0.000 2.513 75 L HA 0.229 4.565 4.340 -0.007 0.000 0.256 75 L C -2.148 174.724 176.870 0.004 0.000 1.163 75 L CA -0.020 54.822 54.840 0.003 0.000 0.895 75 L CB 0.587 42.655 42.059 0.016 0.000 1.076 75 L HN -0.619 7.613 8.230 0.003 0.000 0.491 76 L N 2.928 124.146 121.223 -0.008 0.000 2.410 76 L HA 0.540 5.008 4.340 0.006 -0.125 0.270 76 L C -1.538 175.344 176.870 0.020 0.000 0.983 76 L CA -1.006 53.833 54.840 -0.002 0.000 0.822 76 L CB 4.036 46.074 42.059 -0.035 0.000 1.285 76 L HN -0.319 7.903 8.230 -0.013 0.000 0.409 77 A N 6.392 129.232 122.820 0.033 0.000 2.316 77 A HA 0.308 4.644 4.320 0.027 0.000 0.284 77 A C -0.989 176.629 177.584 0.056 0.000 1.115 77 A CA -0.830 51.228 52.037 0.035 0.000 0.812 77 A CB 1.375 20.391 19.000 0.027 0.000 1.064 77 A HN 0.249 8.420 8.150 0.036 0.000 0.489 78 E N 0.641 120.872 120.200 0.051 0.000 2.392 78 E HA 0.132 4.538 4.350 0.094 0.000 0.256 78 E C -0.831 175.801 176.600 0.053 0.000 1.145 78 E CA -0.105 56.334 56.400 0.065 0.000 0.929 78 E CB 1.136 30.867 29.700 0.052 0.000 0.998 78 E HN 0.088 8.471 8.360 0.037 0.000 0.442 79 I N 2.065 122.671 120.570 0.060 0.000 2.525 79 I HA 0.205 4.379 4.170 0.007 0.000 0.301 79 I C -1.865 174.244 176.117 -0.014 0.000 0.992 79 I CA -1.280 60.031 61.300 0.017 0.000 1.162 79 I CB 2.334 40.338 38.000 0.006 0.000 1.332 79 I HN 0.096 8.360 8.210 0.090 0.000 0.458 80 T N 4.731 119.258 114.554 -0.045 0.000 2.795 80 T HA 0.374 4.694 4.350 -0.051 0.000 0.282 80 T C -1.474 173.172 174.700 -0.091 0.000 0.980 80 T CA -3.241 58.825 62.100 -0.056 0.000 1.012 80 T CB 0.315 69.161 68.868 -0.037 0.000 0.936 80 T HN -0.073 8.139 8.240 -0.047 0.000 0.457 81 P HA 0.201 4.562 4.420 -0.099 0.000 0.282 81 P C -1.373 175.903 177.300 -0.040 0.000 1.259 81 P CA -0.735 62.315 63.100 -0.084 0.000 0.826 81 P CB 1.023 32.631 31.700 -0.154 0.000 1.064 82 D N -0.865 119.544 120.400 0.016 0.000 2.636 82 D HA 0.128 4.778 4.640 0.015 0.000 0.236 82 D C 0.898 177.246 176.300 0.079 0.000 1.176 82 D CA -0.837 53.185 54.000 0.037 0.000 1.081 82 D CB 1.295 42.119 40.800 0.039 0.000 1.213 82 D HN 0.119 8.519 8.370 0.051 0.000 0.633 83 K N -3.649 116.799 120.400 0.080 0.000 2.418 83 K HA 0.059 4.434 4.320 0.091 0.000 0.195 83 K C 1.476 178.149 176.600 0.122 0.000 1.035 83 K CA 1.225 57.567 56.287 0.092 0.000 1.003 83 K CB -0.186 32.355 32.500 0.067 0.000 0.793 83 K HN 0.327 8.617 8.250 0.066 0.000 0.494 84 A N -0.676 122.227 122.820 0.138 0.000 2.070 84 A HA -0.212 4.180 4.320 0.120 0.000 0.220 84 A C 1.436 179.123 177.584 0.173 0.000 1.159 84 A CA 2.512 54.639 52.037 0.149 0.000 0.656 84 A CB -0.827 18.269 19.000 0.160 0.000 0.800 84 A HN -0.203 8.265 8.150 0.126 -0.243 0.453 85 F N -0.557 119.432 119.950 0.064 0.000 2.094 85 F HA -0.365 4.202 4.527 0.067 0.000 0.291 85 F C 1.375 177.173 175.800 -0.003 0.000 1.109 85 F CA 3.685 61.699 58.000 0.023 0.000 1.221 85 F CB 0.538 39.510 39.000 -0.047 0.000 1.014 85 F HN -0.895 7.548 8.300 0.309 0.043 0.473 86 Q N -1.978 117.994 119.800 0.286 0.000 2.226 86 Q HA -0.368 4.087 4.340 0.193 0.000 0.204 86 Q C 2.215 178.267 176.000 0.086 0.000 0.975 86 Q CA 2.701 58.605 55.803 0.169 0.000 0.866 86 Q CB -0.288 28.527 28.738 0.128 0.000 0.915 86 Q HN -0.002 8.452 8.270 0.307 0.000 0.440 87 D N -1.644 118.806 120.400 0.083 0.000 2.106 87 D HA -0.198 4.480 4.640 0.063 0.000 0.191 87 D C 0.222 176.554 176.300 0.053 0.000 0.997 87 D CA 2.374 56.414 54.000 0.066 0.000 0.834 87 D CB 0.826 41.671 40.800 0.075 0.000 0.956 87 D HN -0.200 8.209 8.370 0.108 0.026 0.448 88 K N -3.362 117.061 120.400 0.037 0.000 2.286 88 K HA 0.015 4.358 4.320 0.038 0.000 0.257 88 K C -2.541 174.091 176.600 0.053 0.000 1.719 88 K CA 0.208 56.523 56.287 0.046 0.000 0.795 88 K CB -0.044 32.498 32.500 0.070 0.000 1.402 88 K HN -0.608 7.657 8.250 0.025 0.000 0.401 89 L N 0.802 122.008 121.223 -0.028 0.000 2.325 89 L HA 0.314 4.709 4.340 0.091 0.000 0.279 89 L C -0.612 176.378 176.870 0.201 0.000 1.054 89 L CA -1.177 53.673 54.840 0.016 0.000 0.804 89 L CB 2.847 44.727 42.059 -0.299 0.000 1.200 89 L HN -0.482 7.674 8.230 -0.123 0.000 0.436 90 Y N 5.780 126.112 120.300 0.054 0.000 2.754 90 Y HA -0.095 4.466 4.550 0.018 0.000 0.349 90 Y C -0.724 175.084 175.900 -0.154 0.000 1.179 90 Y CA -2.007 56.096 58.100 0.005 0.000 1.538 90 Y CB -1.069 37.382 38.460 -0.016 0.000 1.200 90 Y HN 0.438 8.913 8.280 0.325 0.000 0.522 91 P HA -0.294 2.938 4.420 -1.979 0.000 0.219 91 P C 0.752 177.401 177.300 -1.086 0.000 1.146 91 P CA 2.036 64.547 63.100 -0.983 0.000 0.808 91 P CB 0.137 31.571 31.700 -0.444 0.000 0.779 92 F N -2.754 116.823 119.950 -0.621 0.000 2.604 92 F HA -0.124 4.151 4.527 -0.420 0.000 0.298 92 F C 0.830 176.456 175.800 -0.291 0.000 1.131 92 F CA 1.967 59.733 58.000 -0.391 0.000 1.457 92 F CB -0.055 38.817 39.000 -0.212 0.000 1.095 92 F HN 0.086 8.152 8.300 -0.338 0.031 0.574 93 T N -1.512 112.995 114.554 -0.078 0.000 2.925 93 T HA -0.082 4.283 4.350 0.024 0.000 0.245 93 T C 1.678 176.348 174.700 -0.049 0.000 1.025 93 T CA 2.147 64.234 62.100 -0.022 0.000 1.149 93 T CB 0.613 69.509 68.868 0.047 0.000 0.866 93 T HN -0.046 7.896 8.240 -0.185 0.187 0.437 94 W N -1.645 119.681 121.300 0.044 0.000 2.576 94 W HA 0.003 4.676 4.660 0.022 0.000 0.270 94 W C 0.554 177.123 176.519 0.084 0.000 1.255 94 W CA 0.507 57.900 57.345 0.079 0.000 1.314 94 W CB -0.997 28.617 29.460 0.257 0.000 1.101 94 W HN -0.726 7.170 8.180 -0.473 0.000 0.595 95 D N 0.976 121.124 120.400 -0.420 0.000 2.263 95 D HA -0.143 4.550 4.640 0.088 0.000 0.208 95 D C 0.850 177.089 176.300 -0.101 0.000 0.971 95 D CA 2.586 56.398 54.000 -0.314 0.000 0.867 95 D CB 0.009 40.359 40.800 -0.750 0.000 0.929 95 D HN -0.443 7.243 8.370 -1.140 0.000 0.492 96 A N -3.963 118.810 122.820 -0.078 0.000 2.169 96 A HA 0.040 4.343 4.320 -0.029 0.000 0.210 96 A C 0.707 178.299 177.584 0.013 0.000 1.168 96 A CA 1.062 53.091 52.037 -0.014 0.000 0.813 96 A CB 0.234 19.256 19.000 0.038 0.000 0.861 96 A HN -0.843 7.204 8.150 -0.109 0.037 0.481 97 V N 0.568 120.522 119.914 0.066 0.000 3.095 97 V HA 0.072 4.254 4.120 0.104 0.000 0.388 97 V C -1.914 174.227 176.094 0.078 0.000 1.286 97 V CA -0.575 61.784 62.300 0.099 0.000 1.406 97 V CB -1.172 30.728 31.823 0.129 0.000 1.363 97 V HN -0.909 7.205 8.190 0.088 0.129 0.532 98 R N -1.554 118.922 120.500 -0.039 0.000 2.711 98 R HA 0.448 4.850 4.340 0.104 0.000 0.284 98 R C -1.589 174.601 176.300 -0.182 0.000 0.968 98 R CA -2.001 54.100 56.100 0.002 0.000 0.924 98 R CB 2.571 32.920 30.300 0.082 0.000 1.162 98 R HN -0.685 7.422 8.270 -0.108 0.098 0.465 99 Y N 0.896 121.263 120.300 0.112 0.000 2.307 99 Y HA 0.187 4.783 4.550 0.076 0.000 0.323 99 Y C -0.582 175.348 175.900 0.051 0.000 1.100 99 Y CA -0.234 57.914 58.100 0.081 0.000 1.140 99 Y CB 3.000 41.511 38.460 0.086 0.000 1.159 99 Y HN -0.107 8.288 8.280 0.192 0.000 0.436 100 N N 4.849 123.671 118.700 0.205 0.000 2.741 100 N HA -0.309 4.478 4.740 0.077 0.000 0.250 100 N C -0.019 175.540 175.510 0.081 0.000 1.115 100 N CA 0.280 53.395 53.050 0.108 0.000 0.724 100 N CB -0.264 38.275 38.487 0.086 0.000 1.090 100 N HN 0.643 9.147 8.380 0.207 0.000 0.558 101 G N -5.743 103.107 108.800 0.084 0.000 2.176 101 G HA2 -0.429 3.570 3.960 0.065 0.000 0.252 101 G HA3 -0.429 3.558 3.960 0.045 0.000 0.252 101 G C -1.293 173.645 174.900 0.064 0.000 1.024 101 G CA 0.022 45.160 45.100 0.063 0.000 0.755 101 G HN 0.117 8.437 8.290 0.095 0.028 0.507 102 K N -1.194 119.263 120.400 0.096 0.000 2.426 102 K HA 0.289 4.646 4.320 0.061 0.000 0.251 102 K C -2.354 174.327 176.600 0.134 0.000 0.941 102 K CA -1.368 54.975 56.287 0.094 0.000 0.808 102 K CB 2.693 35.246 32.500 0.090 0.000 1.265 102 K HN -0.599 7.584 8.250 0.127 0.143 0.432 103 L N 3.828 125.123 121.223 0.120 0.000 2.475 103 L HA 0.305 4.768 4.340 0.206 0.000 0.253 103 L C -0.791 176.196 176.870 0.194 0.000 1.137 103 L CA -0.885 54.060 54.840 0.175 0.000 1.058 103 L CB 0.439 42.596 42.059 0.163 0.000 1.382 103 L HN 0.428 8.845 8.230 0.082 -0.138 0.416 104 I N -2.433 118.267 120.570 0.217 0.000 3.712 104 I HA 0.282 4.557 4.170 0.174 0.000 0.342 104 I C -1.816 174.473 176.117 0.287 0.000 1.487 104 I CA -0.801 60.625 61.300 0.209 0.000 1.179 104 I CB -0.878 37.220 38.000 0.163 0.000 1.403 104 I HN -0.729 7.624 8.210 0.239 0.000 0.444 105 A N -1.033 121.982 122.820 0.324 0.000 2.594 105 A HA 0.172 4.886 4.320 0.365 -0.176 0.301 105 A C -2.674 175.132 177.584 0.369 0.000 1.022 105 A CA -0.040 52.212 52.037 0.359 0.000 0.738 105 A CB 2.138 21.381 19.000 0.405 0.000 1.263 105 A HN -0.675 7.585 8.150 0.320 0.083 0.409 106 Y N 0.101 120.450 120.300 0.082 0.000 2.406 106 Y HA 0.371 4.997 4.550 0.126 0.000 0.340 106 Y C -2.828 173.083 175.900 0.018 0.000 0.975 106 Y CA -1.962 56.182 58.100 0.074 0.000 1.056 106 Y CB 4.412 42.915 38.460 0.073 0.000 1.210 106 Y HN -0.247 8.241 8.280 0.218 -0.077 0.448 107 P HA 0.658 5.244 4.420 -0.049 -0.196 0.281 107 P C -1.466 175.860 177.300 0.043 0.000 1.252 107 P CA -0.564 62.507 63.100 -0.049 0.000 0.778 107 P CB 0.741 32.358 31.700 -0.139 0.000 0.895 108 I N 1.539 122.159 120.570 0.084 0.000 3.064 108 I HA 0.116 4.343 4.170 0.095 0.000 0.323 108 I C -1.574 174.583 176.117 0.067 0.000 1.501 108 I CA -0.102 61.280 61.300 0.137 0.000 0.890 108 I CB -0.222 37.979 38.000 0.336 0.000 1.602 108 I HN 0.770 8.904 8.210 0.052 0.107 0.586 109 A N -0.077 122.741 122.820 -0.003 0.000 2.540 109 A HA 0.139 4.439 4.320 -0.032 0.000 0.315 109 A C -2.302 175.235 177.584 -0.078 0.000 1.037 109 A CA 0.047 52.060 52.037 -0.039 0.000 0.940 109 A CB 2.368 21.344 19.000 -0.039 0.000 1.262 109 A HN -0.652 7.482 8.150 -0.027 0.000 0.377 110 V N 4.190 124.066 119.914 -0.063 0.000 2.350 110 V HA 0.489 4.774 4.120 -0.100 -0.225 0.276 110 V C -0.688 175.381 176.094 -0.042 0.000 1.028 110 V CA -0.851 61.408 62.300 -0.069 0.000 0.860 110 V CB 0.542 32.331 31.823 -0.058 0.000 0.990 110 V HN 0.504 8.669 8.190 -0.042 0.000 0.453 111 E N 8.144 128.311 120.200 -0.055 0.000 2.158 111 E HA 0.221 4.606 4.350 0.058 0.000 0.271 111 E C -1.989 174.656 176.600 0.075 0.000 0.911 111 E CA -1.045 55.365 56.400 0.018 0.000 0.767 111 E CB 2.266 31.915 29.700 -0.084 0.000 1.120 111 E HN 0.544 8.724 8.360 -0.092 0.125 0.405 112 A N 1.656 124.539 122.820 0.105 0.000 2.438 112 A HA 0.270 4.668 4.320 0.130 0.000 0.301 112 A C -2.660 174.958 177.584 0.057 0.000 1.101 112 A CA -0.357 51.735 52.037 0.091 0.000 0.621 112 A CB 2.114 21.145 19.000 0.053 0.000 1.350 112 A HN 0.225 8.437 8.150 0.103 0.000 0.496 113 L N -2.879 118.376 121.223 0.053 0.000 2.303 113 L HA 0.626 5.090 4.340 0.017 -0.114 0.266 113 L C -0.608 176.285 176.870 0.038 0.000 1.011 113 L CA -1.132 53.727 54.840 0.032 0.000 0.818 113 L CB 3.390 45.463 42.059 0.024 0.000 1.326 113 L HN 0.431 8.702 8.230 0.068 0.000 0.435 114 S N -1.823 113.904 115.700 0.046 0.000 2.648 114 S HA 0.339 4.828 4.470 0.031 0.000 0.305 114 S C -1.277 173.318 174.600 -0.009 0.000 1.094 114 S CA -1.304 56.919 58.200 0.040 0.000 0.983 114 S CB 2.589 65.837 63.200 0.081 0.000 1.101 114 S HN -0.329 8.015 8.310 0.056 0.000 0.514 115 L N 2.201 123.400 121.223 -0.040 0.000 2.262 115 L HA 0.345 4.585 4.340 -0.166 0.000 0.288 115 L C -1.731 175.034 176.870 -0.176 0.000 1.035 115 L CA -1.467 53.285 54.840 -0.146 0.000 0.820 115 L CB 1.132 43.081 42.059 -0.183 0.000 1.204 115 L HN 0.260 8.484 8.230 -0.009 0.000 0.424 116 I N 7.308 127.770 120.570 -0.179 0.000 2.529 116 I HA 0.377 4.721 4.170 -0.011 -0.181 0.284 116 I C -0.194 175.768 176.117 -0.257 0.000 1.082 116 I CA -1.744 59.490 61.300 -0.109 0.000 1.406 116 I CB -0.831 37.156 38.000 -0.021 0.000 1.405 116 I HN -0.212 7.895 8.210 -0.171 0.000 0.548 117 Y N 5.734 126.018 120.300 -0.026 0.000 2.512 117 Y HA 0.137 4.645 4.550 -0.070 0.000 0.348 117 Y C -1.858 173.990 175.900 -0.087 0.000 0.990 117 Y CA -1.383 56.680 58.100 -0.061 0.000 1.033 117 Y CB 4.761 43.181 38.460 -0.067 0.000 1.259 117 Y HN 0.777 9.021 8.280 0.107 0.101 0.461 118 N N 2.325 121.100 118.700 0.125 0.000 2.422 118 N HA 0.095 4.755 4.740 -0.134 0.000 0.264 118 N C 1.377 176.849 175.510 -0.062 0.000 1.063 118 N CA -0.471 52.556 53.050 -0.038 0.000 0.959 118 N CB 1.296 39.756 38.487 -0.044 0.000 1.087 118 N HN 0.361 8.881 8.380 0.233 0.000 0.483 119 K N 5.521 125.846 120.400 -0.125 0.000 2.393 119 K HA -0.335 3.929 4.320 -0.094 0.000 0.213 119 K C 0.154 176.704 176.600 -0.082 0.000 0.942 119 K CA 2.572 58.794 56.287 -0.108 0.000 0.932 119 K CB -0.570 31.851 32.500 -0.132 0.000 1.087 119 K HN 0.748 8.878 8.250 -0.199 0.000 0.504 120 D N -3.544 116.809 120.400 -0.078 0.000 3.422 120 D HA 0.085 4.678 4.640 -0.079 0.000 0.277 120 D C -1.593 174.671 176.300 -0.060 0.000 1.625 120 D CA 0.239 54.197 54.000 -0.071 0.000 0.811 120 D CB 0.886 41.648 40.800 -0.064 0.000 1.454 120 D HN -0.107 8.206 8.370 -0.083 0.007 0.573 121 L N 0.304 121.495 121.223 -0.053 0.000 3.094 121 L HA 0.235 4.551 4.340 -0.039 0.000 0.254 121 L C -1.948 174.906 176.870 -0.026 0.000 1.298 121 L CA 0.232 55.048 54.840 -0.040 0.000 1.050 121 L CB 0.794 42.829 42.059 -0.041 0.000 1.420 121 L HN -0.609 7.587 8.230 -0.055 0.000 0.548 122 L N -5.343 115.859 121.223 -0.035 0.000 2.392 122 L HA 0.457 4.788 4.340 -0.015 0.000 0.262 122 L C -2.694 174.140 176.870 -0.061 0.000 1.498 122 L CA -2.515 52.309 54.840 -0.026 0.000 0.820 122 L CB 0.759 42.828 42.059 0.017 0.000 0.990 122 L HN -0.601 7.520 8.230 -0.052 0.079 0.520 123 P HA 0.175 4.542 4.420 -0.087 0.000 0.287 123 P C -0.999 176.266 177.300 -0.057 0.000 1.294 123 P CA -0.287 62.774 63.100 -0.065 0.000 0.776 123 P CB -0.023 31.648 31.700 -0.049 0.000 0.889 124 N N 2.141 120.796 118.700 -0.075 0.000 3.533 124 N HA 0.167 4.881 4.740 -0.043 0.000 0.229 124 N C -2.915 172.550 175.510 -0.074 0.000 1.418 124 N CA -0.719 52.296 53.050 -0.059 0.000 0.880 124 N CB -0.032 38.430 38.487 -0.042 0.000 1.415 124 N HN -0.345 7.975 8.380 -0.101 0.000 0.491 125 P HA 0.422 4.806 4.420 -0.061 0.000 0.277 125 P C -1.414 175.852 177.300 -0.056 0.000 1.354 125 P CA -1.708 61.361 63.100 -0.051 0.000 0.891 125 P CB -0.759 30.924 31.700 -0.028 0.000 1.058 126 P HA 0.025 4.397 4.420 -0.080 0.000 0.258 126 P C -1.000 176.279 177.300 -0.035 0.000 1.319 126 P CA 0.354 63.404 63.100 -0.084 0.000 0.785 126 P CB 0.475 32.084 31.700 -0.152 0.000 1.252 127 K N -4.235 116.154 120.400 -0.018 0.000 2.243 127 K HA -0.093 4.236 4.320 0.015 0.000 0.201 127 K C 0.066 176.690 176.600 0.041 0.000 1.051 127 K CA 0.700 56.992 56.287 0.009 0.000 0.970 127 K CB -0.379 32.122 32.500 0.001 0.000 0.755 127 K HN -0.412 7.687 8.250 -0.026 0.135 0.465 128 T N -1.360 113.219 114.554 0.042 0.000 2.863 128 T HA 0.257 4.681 4.350 0.123 0.000 0.285 128 T C -0.401 174.388 174.700 0.149 0.000 1.009 128 T CA -1.530 60.627 62.100 0.094 0.000 0.989 128 T CB 1.892 70.793 68.868 0.055 0.000 1.004 128 T HN -0.892 7.331 8.240 0.016 0.027 0.455 129 W N 7.552 128.937 121.300 0.142 0.000 2.418 129 W HA -0.171 4.593 4.660 0.174 0.000 0.292 129 W C 1.572 178.215 176.519 0.208 0.000 1.213 129 W CA 2.992 60.471 57.345 0.222 0.000 1.283 129 W CB 0.732 30.444 29.460 0.419 0.000 1.119 129 W HN 0.874 9.324 8.180 0.450 0.000 0.542 130 E N -0.916 119.551 120.200 0.446 0.000 2.273 130 E HA -0.484 4.112 4.350 0.410 0.000 0.198 130 E C 1.567 178.286 176.600 0.198 0.000 1.002 130 E CA 3.263 59.847 56.400 0.308 0.000 0.828 130 E CB -0.602 29.191 29.700 0.155 0.000 0.747 130 E HN -0.235 8.346 8.360 0.368 0.000 0.491 131 E N -1.660 118.621 120.200 0.134 0.000 2.268 131 E HA -0.232 4.158 4.350 0.066 0.000 0.195 131 E C 2.209 178.843 176.600 0.057 0.000 0.995 131 E CA 2.427 58.868 56.400 0.069 0.000 0.836 131 E CB -0.608 29.108 29.700 0.027 0.000 0.763 131 E HN -0.636 7.763 8.360 0.141 0.045 0.491 132 I N -0.649 119.956 120.570 0.058 0.000 2.162 132 I HA -0.090 4.078 4.170 -0.003 0.000 0.238 132 I C 0.049 176.225 176.117 0.099 0.000 1.076 132 I CA 3.156 64.468 61.300 0.021 0.000 1.353 132 I CB -3.357 34.553 38.000 -0.150 0.000 1.063 132 I HN 0.206 8.305 8.210 0.092 0.167 0.408 133 P HA -0.198 4.316 4.420 0.156 0.000 0.216 133 P C 1.235 178.597 177.300 0.104 0.000 1.150 133 P CA 3.005 66.204 63.100 0.165 0.000 0.843 133 P CB -0.871 30.959 31.700 0.217 0.000 0.787 134 A N -3.605 119.273 122.820 0.096 0.000 2.015 134 A HA -0.114 4.302 4.320 0.062 -0.059 0.219 134 A C 1.817 179.430 177.584 0.047 0.000 1.163 134 A CA 2.281 54.358 52.037 0.066 0.000 0.646 134 A CB -0.580 18.457 19.000 0.061 0.000 0.806 134 A HN -0.596 7.609 8.150 0.115 0.014 0.448 135 L N -1.773 119.479 121.223 0.047 0.000 2.263 135 L HA -0.351 4.149 4.340 0.025 -0.145 0.216 135 L C 1.322 178.210 176.870 0.031 0.000 1.111 135 L CA 2.279 57.139 54.840 0.033 0.000 0.773 135 L CB -0.873 41.206 42.059 0.034 0.000 0.906 135 L HN -0.278 7.841 8.230 0.057 0.145 0.439 136 D N -1.584 118.837 120.400 0.036 0.000 2.178 136 D HA -0.299 4.358 4.640 0.028 0.000 0.201 136 D C 2.073 178.385 176.300 0.021 0.000 0.980 136 D CA 2.787 56.804 54.000 0.028 0.000 0.842 136 D CB -1.187 39.627 40.800 0.023 0.000 0.948 136 D HN -0.424 7.926 8.370 0.045 0.047 0.472 137 K N -0.387 120.026 120.400 0.022 0.000 2.009 137 K HA -0.348 3.982 4.320 0.016 0.000 0.210 137 K C 2.286 178.894 176.600 0.014 0.000 1.049 137 K CA 3.428 59.725 56.287 0.018 0.000 0.929 137 K CB -0.401 32.111 32.500 0.019 0.000 0.714 137 K HN 0.228 8.357 8.250 0.027 0.137 0.440 138 E N -2.819 117.389 120.200 0.014 0.000 2.158 138 E HA -0.184 4.171 4.350 0.008 0.000 0.191 138 E C 1.618 178.223 176.600 0.009 0.000 0.982 138 E CA 2.068 58.474 56.400 0.009 0.000 0.823 138 E CB -0.813 28.891 29.700 0.006 0.000 0.766 138 E HN -0.172 8.197 8.360 0.016 0.000 0.468 139 L N -0.699 120.532 121.223 0.013 0.000 2.007 139 L HA -0.177 4.168 4.340 0.009 0.000 0.205 139 L C 2.314 179.193 176.870 0.014 0.000 1.073 139 L CA 2.443 57.291 54.840 0.013 0.000 0.744 139 L CB -0.204 41.867 42.059 0.019 0.000 0.898 139 L HN -0.027 8.212 8.230 0.016 0.000 0.435 140 K N -2.149 118.261 120.400 0.016 0.000 2.209 140 K HA -0.239 4.228 4.320 0.018 -0.136 0.204 140 K C 2.124 178.731 176.600 0.013 0.000 1.048 140 K CA 2.390 58.687 56.287 0.016 0.000 0.940 140 K CB -0.153 32.357 32.500 0.016 0.000 0.729 140 K HN 0.268 8.406 8.250 0.017 0.122 0.451 141 A N -2.408 120.418 122.820 0.011 0.000 2.139 141 A HA -0.176 4.150 4.320 0.009 0.000 0.221 141 A C 1.107 178.695 177.584 0.007 0.000 1.159 141 A CA 2.340 54.382 52.037 0.009 0.000 0.662 141 A CB -0.355 18.649 19.000 0.007 0.000 0.796 141 A HN -0.390 7.738 8.150 0.011 0.029 0.463 142 K N -3.363 117.041 120.400 0.007 0.000 2.313 142 K HA 0.141 4.464 4.320 0.005 0.000 0.215 142 K C 0.592 177.196 176.600 0.007 0.000 1.109 142 K CA 0.347 56.637 56.287 0.006 0.000 0.895 142 K CB 2.318 34.820 32.500 0.003 0.000 1.234 142 K HN -0.436 7.652 8.250 0.008 0.168 0.463 143 G N -3.462 105.343 108.800 0.009 0.000 4.571 143 G HA2 -0.018 3.950 3.960 0.013 0.000 0.226 143 G HA3 -0.018 3.948 3.960 0.010 0.000 0.226 143 G C -1.413 173.495 174.900 0.014 0.000 1.529 143 G CA 0.373 45.480 45.100 0.011 0.000 1.161 143 G HN -0.559 7.736 8.290 0.009 0.000 0.572 144 K N -1.362 119.048 120.400 0.016 0.000 2.373 144 K HA 0.317 4.650 4.320 0.022 0.000 0.274 144 K C -2.580 174.035 176.600 0.025 0.000 1.024 144 K CA -1.349 54.949 56.287 0.019 0.000 0.867 144 K CB 3.959 36.466 32.500 0.012 0.000 1.524 144 K HN -0.483 7.776 8.250 0.015 0.000 0.406 145 S N -2.867 112.851 115.700 0.031 0.000 2.549 145 S HA 0.379 4.869 4.470 0.034 0.000 0.280 145 S C -0.002 174.622 174.600 0.039 0.000 1.109 145 S CA -0.602 57.621 58.200 0.039 0.000 0.905 145 S CB 2.617 65.849 63.200 0.054 0.000 1.081 145 S HN 0.348 8.675 8.310 0.029 0.000 0.477 146 A N 2.652 125.497 122.820 0.042 0.000 2.238 146 A HA 0.106 4.446 4.320 0.033 0.000 0.210 146 A C -1.747 175.869 177.584 0.054 0.000 1.179 146 A CA 0.569 52.631 52.037 0.041 0.000 0.827 146 A CB 0.297 19.319 19.000 0.037 0.000 0.856 146 A HN 0.529 8.704 8.150 0.042 0.000 0.488 147 L N -8.002 113.266 121.223 0.076 0.000 2.549 147 L HA 0.389 4.884 4.340 0.106 -0.092 0.259 147 L C -1.898 175.062 176.870 0.150 0.000 0.934 147 L CA -0.355 54.553 54.840 0.113 0.000 0.865 147 L CB 2.322 44.457 42.059 0.127 0.000 1.352 147 L HN -0.843 7.378 8.230 0.072 0.052 0.410 148 M N 0.374 120.107 119.600 0.222 0.000 2.294 148 M HA 0.209 4.816 4.480 0.211 0.000 0.280 148 M C -2.460 174.105 176.300 0.441 0.000 1.085 148 M CA 0.630 56.082 55.300 0.253 0.000 0.969 148 M CB 4.400 37.114 32.600 0.190 0.000 1.770 148 M HN -0.035 8.403 8.290 0.246 0.000 0.485 149 F N 1.089 121.110 119.950 0.119 0.000 2.926 149 F HA 0.116 4.700 4.527 0.097 0.000 0.321 149 F C -1.914 173.902 175.800 0.026 0.000 1.168 149 F CA -0.868 57.210 58.000 0.129 0.000 0.890 149 F CB 3.600 42.832 39.000 0.386 0.000 1.357 149 F HN 0.038 8.498 8.300 0.266 0.000 0.468 150 N N -0.083 118.464 118.700 -0.255 0.000 2.204 150 N HA -0.013 4.614 4.740 -0.187 0.000 0.232 150 N C -0.452 175.051 175.510 -0.011 0.000 1.340 150 N CA 1.173 54.132 53.050 -0.151 0.000 0.883 150 N CB 0.800 39.185 38.487 -0.170 0.000 1.109 150 N HN 0.026 7.843 8.380 -0.938 0.000 0.470 151 L N -7.030 114.200 121.223 0.011 0.000 3.503 151 L HA 0.284 4.598 4.340 -0.043 0.000 0.327 151 L C -0.413 176.495 176.870 0.064 0.000 1.108 151 L CA 0.897 55.745 54.840 0.013 0.000 1.214 151 L CB -0.862 41.211 42.059 0.022 0.000 1.806 151 L HN 0.158 8.395 8.230 0.013 0.000 0.610 152 Q N -1.116 118.735 119.800 0.084 0.000 2.182 152 Q HA 0.201 4.602 4.340 0.102 0.000 0.305 152 Q C -0.838 175.263 176.000 0.167 0.000 0.880 152 Q CA -0.286 55.582 55.803 0.107 0.000 1.131 152 Q CB 0.936 29.720 28.738 0.077 0.000 1.237 152 Q HN -0.201 8.110 8.270 0.069 0.000 0.447 153 E N 1.606 121.943 120.200 0.229 0.000 2.277 153 E HA 0.368 4.897 4.350 0.299 0.000 0.266 153 E C -1.884 174.954 176.600 0.397 0.000 0.901 153 E CA -3.440 53.154 56.400 0.323 0.000 0.782 153 E CB 2.235 32.139 29.700 0.340 0.000 1.228 153 E HN -0.211 8.220 8.360 0.228 0.066 0.424 154 P HA 0.141 4.879 4.420 0.530 0.000 0.246 154 P C -1.777 175.534 177.300 0.018 0.000 1.686 154 P CA 0.502 63.768 63.100 0.277 0.000 0.867 154 P CB -0.953 30.750 31.700 0.004 0.000 1.733 155 Y N -5.099 115.375 120.300 0.291 0.000 2.425 155 Y HA 0.009 4.712 4.550 0.254 0.000 0.261 155 Y C -0.439 175.621 175.900 0.267 0.000 1.084 155 Y CA 0.815 59.070 58.100 0.258 0.000 1.248 155 Y CB 1.967 40.558 38.460 0.218 0.000 1.270 155 Y HN -0.142 8.344 8.280 0.547 0.123 0.524 156 F N -0.052 120.102 119.950 0.340 0.000 2.463 156 F HA 0.193 4.824 4.527 0.173 0.000 0.271 156 F C 0.999 176.861 175.800 0.103 0.000 0.888 156 F CA 0.667 58.797 58.000 0.218 0.000 1.149 156 F CB 2.413 41.578 39.000 0.276 0.000 1.071 156 F HN -0.560 8.082 8.300 0.571 0.000 0.802 157 T N 1.741 116.537 114.554 0.404 0.000 2.652 157 T HA -0.520 3.915 4.350 0.141 0.000 0.267 157 T C 1.314 176.070 174.700 0.094 0.000 1.039 157 T CA 5.454 67.661 62.100 0.179 0.000 1.153 157 T CB 0.142 69.068 68.868 0.098 0.000 0.863 157 T HN -0.558 7.939 8.240 0.429 0.000 0.428 158 W N 0.299 121.600 121.300 0.002 0.000 2.333 158 W HA -0.120 4.479 4.660 -0.101 0.000 0.316 158 W C -1.241 175.186 176.519 -0.152 0.000 1.215 158 W CA 4.825 62.115 57.345 -0.091 0.000 1.278 158 W CB -1.845 27.549 29.460 -0.110 0.000 1.154 158 W HN 0.274 8.689 8.180 0.392 0.000 0.486 159 P HA -0.099 4.262 4.420 -0.098 0.000 0.226 159 P C 0.540 177.712 177.300 -0.214 0.000 1.153 159 P CA 1.982 65.037 63.100 -0.074 0.000 0.777 159 P CB -0.330 31.315 31.700 -0.092 0.000 0.794 160 L N -2.745 118.356 121.223 -0.203 0.000 2.202 160 L HA -0.026 3.908 4.340 -0.675 0.000 0.205 160 L C 1.756 178.381 176.870 -0.407 0.000 1.083 160 L CA 2.543 57.133 54.840 -0.418 0.000 0.790 160 L CB 0.390 42.293 42.059 -0.260 0.000 0.942 160 L HN -0.473 7.540 8.230 -0.059 0.181 0.452 161 I N -1.576 118.855 120.570 -0.232 0.000 3.428 161 I HA -0.057 3.994 4.170 -0.197 0.000 0.286 161 I C -0.069 175.945 176.117 -0.172 0.000 1.287 161 I CA 0.397 61.580 61.300 -0.195 0.000 1.396 161 I CB 0.295 38.188 38.000 -0.180 0.000 1.062 161 I HN 0.198 8.210 8.210 -0.162 0.101 0.471 162 A N -0.237 122.483 122.820 -0.166 0.000 2.021 162 A HA -0.098 4.144 4.320 -0.131 0.000 0.216 162 A C 0.728 178.219 177.584 -0.156 0.000 1.163 162 A CA 1.833 53.787 52.037 -0.139 0.000 0.676 162 A CB -0.397 18.542 19.000 -0.102 0.000 0.818 162 A HN -0.582 7.399 8.150 -0.177 0.063 0.453 163 A N -4.489 118.217 122.820 -0.190 0.000 2.268 163 A HA -0.009 4.455 4.320 -0.081 -0.193 0.221 163 A C -0.739 176.837 177.584 -0.013 0.000 1.287 163 A CA 0.454 52.422 52.037 -0.116 0.000 0.902 163 A CB -1.080 17.810 19.000 -0.184 0.000 0.877 163 A HN -0.314 7.675 8.150 -0.267 0.000 0.487 164 D N -3.865 116.498 120.400 -0.062 0.000 2.531 164 D HA 0.064 4.722 4.640 0.029 0.000 0.263 164 D C 0.382 176.631 176.300 -0.085 0.000 1.057 164 D CA 0.889 54.873 54.000 -0.026 0.000 0.909 164 D CB 3.148 43.937 40.800 -0.019 0.000 1.236 164 D HN -0.600 7.557 8.370 -0.117 0.143 0.494 165 G N -0.950 107.748 108.800 -0.170 0.000 2.192 165 G HA2 -0.123 3.599 3.960 -0.397 0.000 0.152 165 G HA3 -0.123 3.716 3.960 -0.202 0.000 0.152 165 G C -0.739 173.929 174.900 -0.386 0.000 1.057 165 G CA -0.377 44.547 45.100 -0.293 0.000 0.748 165 G HN -0.772 7.412 8.290 -0.176 0.000 0.488 166 G N -0.045 108.567 108.800 -0.313 0.000 2.428 166 G HA2 0.385 4.255 3.960 -0.150 0.000 0.320 166 G HA3 0.385 4.276 3.960 -0.114 0.000 0.320 166 G C -1.018 173.771 174.900 -0.184 0.000 1.098 166 G CA -0.812 44.168 45.100 -0.201 0.000 0.984 166 G HN -0.414 7.720 8.290 -0.260 0.000 0.444 167 Y N 4.672 125.008 120.300 0.059 0.000 2.298 167 Y HA -0.013 4.573 4.550 0.059 0.000 0.329 167 Y C -0.885 175.093 175.900 0.130 0.000 1.293 167 Y CA 0.507 58.653 58.100 0.077 0.000 1.388 167 Y CB 0.915 39.418 38.460 0.072 0.000 1.309 167 Y HN -0.643 7.613 8.280 -0.041 0.000 0.544 168 A N 0.917 123.943 122.820 0.344 0.000 1.963 168 A HA 0.072 4.609 4.320 0.361 0.000 0.211 168 A C -1.136 176.751 177.584 0.505 0.000 1.380 168 A CA 0.934 53.176 52.037 0.342 0.000 0.690 168 A CB 1.138 20.244 19.000 0.177 0.000 1.060 168 A HN 0.547 8.913 8.150 0.359 0.000 0.498 169 F N -3.448 116.604 119.950 0.169 0.000 2.620 169 F HA 0.404 5.151 4.527 0.163 -0.122 0.320 169 F C -0.900 174.983 175.800 0.139 0.000 1.069 169 F CA -1.250 56.846 58.000 0.160 0.000 0.953 169 F CB 4.384 43.479 39.000 0.159 0.000 1.322 169 F HN -0.609 7.929 8.300 0.396 0.000 0.479 170 K N 2.721 123.154 120.400 0.055 0.000 2.273 170 K HA 0.126 4.463 4.320 0.029 0.000 0.287 170 K C -2.161 174.570 176.600 0.218 0.000 1.089 170 K CA -0.563 55.760 56.287 0.060 0.000 0.909 170 K CB 0.179 32.647 32.500 -0.053 0.000 1.123 170 K HN 0.243 8.325 8.250 -0.279 0.000 0.473 171 Y N 7.614 127.966 120.300 0.087 0.000 2.338 171 Y HA 0.507 5.331 4.550 0.157 -0.180 0.328 171 Y C -1.149 174.773 175.900 0.037 0.000 0.965 171 Y CA -1.158 57.008 58.100 0.110 0.000 1.208 171 Y CB 1.797 40.339 38.460 0.135 0.000 1.132 171 Y HN 0.178 8.596 8.280 0.229 0.000 0.469 172 E N 7.789 127.907 120.200 -0.137 0.000 2.176 172 E HA 0.259 4.641 4.350 0.053 0.000 0.267 172 E C -0.153 176.337 176.600 -0.182 0.000 0.893 172 E CA -0.853 55.502 56.400 -0.075 0.000 0.761 172 E CB 2.458 32.117 29.700 -0.069 0.000 1.133 172 E HN 0.042 8.228 8.360 -0.290 0.000 0.409 173 N N 4.858 123.540 118.700 -0.030 0.000 3.540 173 N HA -0.402 4.352 4.740 0.023 0.000 0.224 173 N C -0.484 175.009 175.510 -0.029 0.000 0.162 173 N CA 2.535 55.569 53.050 -0.027 0.000 3.550 173 N CB -0.551 37.894 38.487 -0.069 0.000 1.144 173 N HN 0.756 9.173 8.380 0.061 0.000 0.272 174 G N -1.008 107.610 108.800 -0.303 0.000 5.515 174 G HA2 0.122 3.940 3.960 -0.237 0.000 0.198 174 G HA3 0.122 4.078 3.960 -0.008 0.000 0.198 174 G C -1.994 172.676 174.900 -0.383 0.000 0.858 174 G CA 0.070 45.004 45.100 -0.277 0.000 0.634 174 G HN 0.256 8.295 8.290 -0.345 0.044 0.290 175 K N -1.128 118.831 120.400 -0.736 0.000 2.597 175 K HA 0.306 4.398 4.320 -0.379 0.000 0.282 175 K C -2.560 173.805 176.600 -0.391 0.000 0.975 175 K CA -0.818 55.181 56.287 -0.480 0.000 0.867 175 K CB 3.900 36.186 32.500 -0.357 0.000 1.465 175 K HN -0.685 6.928 8.250 -1.063 0.000 0.417 176 Y N -2.031 118.227 120.300 -0.069 0.000 2.488 176 Y HA 1.083 5.874 4.550 0.022 -0.228 0.325 176 Y C 0.043 175.951 175.900 0.013 0.000 1.204 176 Y CA -2.724 55.402 58.100 0.045 0.000 1.229 176 Y CB 1.086 39.693 38.460 0.245 0.000 1.274 176 Y HN 0.099 7.835 8.280 -0.907 0.000 0.493 177 D N 0.105 120.657 120.400 0.252 0.000 2.191 177 D HA -0.136 4.540 4.640 0.059 0.000 0.221 177 D C 0.273 176.709 176.300 0.226 0.000 1.006 177 D CA 1.853 55.931 54.000 0.131 0.000 0.910 177 D CB 0.717 41.534 40.800 0.028 0.000 1.031 177 D HN 0.459 8.971 8.370 0.236 0.000 0.447 178 I N -5.940 114.726 120.570 0.159 0.000 4.459 178 I HA -0.037 4.277 4.170 0.241 0.000 0.284 178 I C -1.947 174.185 176.117 0.025 0.000 1.075 178 I CA 1.243 62.626 61.300 0.139 0.000 1.426 178 I CB 1.281 39.340 38.000 0.098 0.000 2.037 178 I HN -0.417 7.824 8.210 0.051 0.000 0.497 179 K N -0.830 119.536 120.400 -0.057 0.000 2.895 179 K HA 0.142 4.392 4.320 -0.117 0.000 0.200 179 K C -1.303 175.186 176.600 -0.184 0.000 1.133 179 K CA -0.681 55.542 56.287 -0.105 0.000 1.060 179 K CB 0.180 32.661 32.500 -0.032 0.000 0.735 179 K HN -0.232 7.990 8.250 -0.046 0.000 0.451 180 D N 1.950 122.178 120.400 -0.287 0.000 2.411 180 D HA 0.142 4.693 4.640 -0.149 0.000 0.225 180 D C -1.460 174.615 176.300 -0.374 0.000 1.156 180 D CA 0.710 54.561 54.000 -0.249 0.000 0.874 180 D CB -0.002 40.696 40.800 -0.171 0.000 1.034 180 D HN -0.401 7.780 8.370 -0.315 0.000 0.502 181 V N -0.836 118.960 119.914 -0.196 0.000 2.604 181 V HA 0.477 4.645 4.120 -0.113 -0.115 0.305 181 V C -0.578 175.547 176.094 0.053 0.000 1.043 181 V CA -3.122 59.132 62.300 -0.076 0.000 0.888 181 V CB 2.244 34.075 31.823 0.013 0.000 0.995 181 V HN -0.428 7.688 8.190 -0.123 0.000 0.429 182 G N 2.952 111.844 108.800 0.153 0.000 4.125 182 G HA2 0.268 4.317 3.960 0.149 0.000 0.301 182 G HA3 0.268 4.413 3.960 0.309 0.000 0.301 182 G C -1.156 173.854 174.900 0.183 0.000 1.273 182 G CA 0.087 45.308 45.100 0.201 0.000 1.095 182 G HN 0.102 8.510 8.290 0.197 0.000 0.582 183 V N -0.311 119.699 119.914 0.160 0.000 3.212 183 V HA 0.007 4.205 4.120 0.131 0.000 0.244 183 V C -0.184 175.957 176.094 0.078 0.000 1.151 183 V CA 0.447 62.832 62.300 0.143 0.000 1.119 183 V CB 0.781 32.733 31.823 0.215 0.000 0.838 183 V HN -0.444 7.761 8.190 0.145 0.073 0.470 184 D N 1.903 122.341 120.400 0.064 0.000 3.032 184 D HA 0.011 4.668 4.640 0.028 0.000 0.241 184 D C -0.931 175.391 176.300 0.036 0.000 1.196 184 D CA -0.211 53.811 54.000 0.037 0.000 0.927 184 D CB -1.486 39.330 40.800 0.026 0.000 1.129 184 D HN 0.398 8.813 8.370 0.074 0.000 0.458 185 N N -0.757 117.966 118.700 0.038 0.000 3.167 185 N HA 0.099 4.858 4.740 0.032 0.000 0.323 185 N C -0.130 175.395 175.510 0.025 0.000 1.478 185 N CA -1.611 51.460 53.050 0.034 0.000 0.753 185 N CB 0.870 39.385 38.487 0.045 0.000 1.721 185 N HN -0.545 7.763 8.380 0.040 0.096 0.618 186 A N -2.440 120.394 122.820 0.023 0.000 2.067 186 A HA 0.037 4.372 4.320 0.025 0.000 0.217 186 A C 1.702 179.298 177.584 0.021 0.000 1.156 186 A CA 2.330 54.381 52.037 0.023 0.000 0.683 186 A CB -0.272 18.742 19.000 0.024 0.000 0.808 186 A HN 0.513 8.678 8.150 0.026 0.000 0.455 187 G N -1.275 107.528 108.800 0.005 0.000 2.402 187 G HA2 -0.291 3.665 3.960 -0.007 0.000 0.216 187 G HA3 -0.291 3.640 3.960 -0.048 0.000 0.216 187 G C 0.848 175.737 174.900 -0.019 0.000 1.162 187 G CA 1.146 46.235 45.100 -0.018 0.000 0.777 187 G HN 0.163 8.427 8.290 0.007 0.030 0.539 188 A N 1.670 124.481 122.820 -0.014 0.000 1.970 188 A HA -0.058 4.236 4.320 -0.044 0.000 0.216 188 A C 1.386 178.969 177.584 -0.002 0.000 1.170 188 A CA 2.262 54.288 52.037 -0.017 0.000 0.645 188 A CB -0.002 19.001 19.000 0.005 0.000 0.816 188 A HN -0.063 8.409 8.150 -0.004 -0.324 0.447 189 K N -1.303 119.106 120.400 0.014 0.000 2.001 189 K HA -0.337 3.989 4.320 0.010 0.000 0.208 189 K C 1.964 178.593 176.600 0.048 0.000 1.048 189 K CA 2.959 59.258 56.287 0.021 0.000 0.932 189 K CB -0.564 31.949 32.500 0.021 0.000 0.715 189 K HN -0.722 7.537 8.250 0.015 0.000 0.437 190 A N -1.444 121.422 122.820 0.076 0.000 2.070 190 A HA -0.011 4.405 4.320 0.161 0.000 0.220 190 A C 2.230 179.954 177.584 0.233 0.000 1.159 190 A CA 2.487 54.621 52.037 0.162 0.000 0.656 190 A CB -0.632 18.466 19.000 0.165 0.000 0.800 190 A HN -0.250 7.935 8.150 0.058 0.000 0.453 191 G N -1.649 107.218 108.800 0.111 0.000 2.408 191 G HA2 -0.166 3.959 3.960 0.109 0.000 0.215 191 G HA3 -0.166 3.788 3.960 -0.010 0.000 0.215 191 G C 0.939 175.874 174.900 0.059 0.000 1.156 191 G CA 1.352 46.494 45.100 0.070 0.000 0.793 191 G HN -0.632 7.553 8.290 0.060 0.141 0.535 192 L N 0.287 121.524 121.223 0.023 0.000 2.291 192 L HA -0.091 4.233 4.340 -0.026 0.000 0.214 192 L C 1.444 178.329 176.870 0.025 0.000 1.120 192 L CA 2.167 57.006 54.840 -0.003 0.000 0.799 192 L CB 0.378 42.419 42.059 -0.029 0.000 0.925 192 L HN -0.360 7.881 8.230 0.018 0.000 0.446 193 T N -0.273 114.313 114.554 0.053 0.000 2.896 193 T HA -0.239 4.101 4.350 -0.017 0.000 0.263 193 T C 1.649 176.342 174.700 -0.011 0.000 1.050 193 T CA 3.638 65.741 62.100 0.006 0.000 1.140 193 T CB -0.302 68.554 68.868 -0.020 0.000 0.877 193 T HN -0.280 7.975 8.240 0.081 0.033 0.457 194 F N 2.300 122.256 119.950 0.010 0.000 2.206 194 F HA -0.210 4.341 4.527 0.040 0.000 0.298 194 F C 1.703 177.505 175.800 0.003 0.000 1.090 194 F CA 3.919 61.938 58.000 0.031 0.000 1.323 194 F CB 0.000 39.051 39.000 0.084 0.000 1.028 194 F HN -0.823 7.673 8.300 0.326 0.000 0.492 195 L N -1.713 119.601 121.223 0.152 0.000 2.127 195 L HA -0.342 4.031 4.340 0.055 0.000 0.211 195 L C 1.304 178.192 176.870 0.031 0.000 1.089 195 L CA 3.520 58.395 54.840 0.058 0.000 0.757 195 L CB -0.219 41.847 42.059 0.012 0.000 0.899 195 L HN -0.652 7.669 8.230 0.152 0.000 0.434 196 V N -1.207 118.718 119.914 0.018 0.000 2.358 196 V HA -0.490 3.633 4.120 0.005 0.000 0.246 196 V C 1.595 177.684 176.094 -0.007 0.000 1.047 196 V CA 4.838 67.137 62.300 -0.001 0.000 1.035 196 V CB -0.532 31.282 31.823 -0.015 0.000 0.658 196 V HN -0.746 7.437 8.190 0.022 0.020 0.452 197 D N -0.584 119.803 120.400 -0.021 0.000 2.178 197 D HA -0.214 4.404 4.640 -0.036 0.000 0.201 197 D C 2.387 178.690 176.300 0.005 0.000 0.980 197 D CA 3.499 57.481 54.000 -0.029 0.000 0.842 197 D CB -0.345 40.406 40.800 -0.082 0.000 0.948 197 D HN -0.652 7.701 8.370 -0.028 0.000 0.472 198 L N -1.110 120.132 121.223 0.030 0.000 2.056 198 L HA -0.357 4.003 4.340 0.032 0.000 0.207 198 L C 2.052 178.901 176.870 -0.035 0.000 1.078 198 L CA 3.332 58.183 54.840 0.018 0.000 0.749 198 L CB 0.090 42.167 42.059 0.029 0.000 0.901 198 L HN -0.700 7.444 8.230 0.046 0.113 0.433 199 I N -2.188 118.374 120.570 -0.013 0.000 2.315 199 I HA -0.543 3.625 4.170 -0.004 0.000 0.248 199 I C 2.112 178.237 176.117 0.013 0.000 1.117 199 I CA 4.140 65.450 61.300 0.016 0.000 1.404 199 I CB -0.429 37.609 38.000 0.063 0.000 1.071 199 I HN -0.741 7.470 8.210 0.002 0.000 0.419 200 K N -0.951 119.451 120.400 0.004 0.000 2.167 200 K HA -0.261 4.073 4.320 0.022 0.000 0.203 200 K C 2.695 179.289 176.600 -0.010 0.000 1.052 200 K CA 3.216 59.506 56.287 0.005 0.000 0.956 200 K CB -0.182 32.317 32.500 -0.001 0.000 0.735 200 K HN -0.369 7.882 8.250 0.001 0.000 0.451 201 N N -1.954 116.733 118.700 -0.022 0.000 2.463 201 N HA -0.168 4.564 4.740 -0.014 0.000 0.181 201 N C 0.308 175.786 175.510 -0.053 0.000 1.078 201 N CA 2.237 55.274 53.050 -0.023 0.000 0.902 201 N CB 0.316 38.800 38.487 -0.005 0.000 0.970 201 N HN -0.117 8.251 8.380 -0.020 0.000 0.451 202 K N -2.274 118.056 120.400 -0.118 0.000 2.274 202 K HA 0.067 4.295 4.320 -0.154 0.000 0.219 202 K C 0.186 176.653 176.600 -0.223 0.000 1.058 202 K CA 1.018 57.162 56.287 -0.239 0.000 0.920 202 K CB 1.210 33.432 32.500 -0.463 0.000 1.124 202 K HN -0.566 7.452 8.250 -0.110 0.167 0.464 203 H N -3.519 115.553 119.070 0.004 0.000 2.497 203 H HA 0.014 4.573 4.556 0.005 0.000 0.282 203 H C 1.272 176.601 175.328 0.003 0.000 1.003 203 H CA 0.879 56.928 56.048 0.002 0.000 1.307 203 H CB 1.032 30.792 29.762 -0.004 0.000 1.437 203 H HN -0.466 7.605 8.280 -0.349 0.000 0.544 204 M N -3.022 116.631 119.600 0.087 0.000 2.762 204 M HA -0.457 4.087 4.480 0.034 -0.043 0.190 204 M C -0.664 175.670 176.300 0.058 0.000 0.586 204 M CA 1.434 56.765 55.300 0.052 0.000 0.620 204 M CB -1.524 31.097 32.600 0.034 0.000 2.269 204 M HN 0.167 8.488 8.290 0.052 0.000 0.563 205 N N -2.356 116.394 118.700 0.083 0.000 1.939 205 N HA -0.066 4.696 4.740 0.038 0.000 0.265 205 N C -1.544 173.993 175.510 0.045 0.000 1.348 205 N CA 0.706 53.788 53.050 0.052 0.000 0.746 205 N CB 1.888 40.398 38.487 0.039 0.000 1.341 205 N HN -0.224 8.182 8.380 0.131 0.053 0.582 206 A N -1.286 121.581 122.820 0.078 0.000 2.165 206 A HA -0.249 4.069 4.320 -0.004 0.000 0.272 206 A C -1.292 176.240 177.584 -0.086 0.000 1.398 206 A CA 1.087 53.126 52.037 0.005 0.000 0.726 206 A CB -2.059 16.960 19.000 0.031 0.000 1.179 206 A HN 0.126 8.376 8.150 0.167 0.000 0.327 207 D N -0.574 119.719 120.400 -0.179 0.000 2.571 207 D HA 0.155 4.740 4.640 -0.092 0.000 0.239 207 D C -1.054 175.124 176.300 -0.204 0.000 1.267 207 D CA -0.472 53.444 54.000 -0.139 0.000 0.823 207 D CB 1.148 41.904 40.800 -0.075 0.000 1.056 207 D HN 0.150 8.358 8.370 -0.270 0.000 0.494 208 T N 1.874 116.226 114.554 -0.338 0.000 2.780 208 T HA 0.075 4.285 4.350 -0.233 0.000 0.294 208 T C -1.224 173.388 174.700 -0.147 0.000 0.949 208 T CA 0.398 62.323 62.100 -0.292 0.000 1.074 208 T CB 0.743 69.353 68.868 -0.430 0.000 0.910 208 T HN -0.330 7.599 8.240 -0.412 0.063 0.501 209 D N 4.117 124.461 120.400 -0.093 0.000 2.595 209 D HA 0.123 4.754 4.640 -0.015 0.000 0.268 209 D C 0.646 176.933 176.300 -0.021 0.000 1.181 209 D CA -1.240 52.743 54.000 -0.028 0.000 1.085 209 D CB 2.609 43.407 40.800 -0.003 0.000 1.186 209 D HN 0.046 8.359 8.370 -0.095 0.000 0.621 210 Y N 0.995 121.239 120.300 -0.095 0.000 2.243 210 Y HA -0.157 4.299 4.550 -0.158 0.000 0.293 210 Y C 1.744 177.589 175.900 -0.091 0.000 1.124 210 Y CA 3.975 62.006 58.100 -0.116 0.000 1.159 210 Y CB 0.507 38.903 38.460 -0.108 0.000 1.008 210 Y HN 0.180 8.554 8.280 0.156 0.000 0.527 211 S N -0.535 115.221 115.700 0.094 0.000 2.453 211 S HA -0.158 4.346 4.470 0.056 0.000 0.231 211 S C 1.526 176.124 174.600 -0.002 0.000 1.005 211 S CA 3.136 61.363 58.200 0.045 0.000 0.949 211 S CB -0.720 62.509 63.200 0.048 0.000 0.774 211 S HN 0.155 8.535 8.310 0.116 0.000 0.510 212 I N 0.046 120.602 120.570 -0.023 0.000 2.277 212 I HA -0.295 3.868 4.170 -0.012 0.000 0.243 212 I C 0.597 176.687 176.117 -0.044 0.000 1.094 212 I CA 2.374 63.656 61.300 -0.030 0.000 1.393 212 I CB -0.166 37.808 38.000 -0.044 0.000 1.078 212 I HN -0.482 7.585 8.210 -0.018 0.132 0.417 213 A N -1.459 121.301 122.820 -0.101 0.000 2.016 213 A HA -0.192 4.106 4.320 -0.038 0.000 0.217 213 A C 1.182 178.698 177.584 -0.113 0.000 1.162 213 A CA 2.096 54.062 52.037 -0.119 0.000 0.662 213 A CB -0.202 18.653 19.000 -0.241 0.000 0.812 213 A HN -0.401 7.673 8.150 -0.126 0.000 0.450 214 E N -1.379 118.721 120.200 -0.167 0.000 2.204 214 E HA -0.397 3.867 4.350 -0.143 0.000 0.195 214 E C 1.565 178.188 176.600 0.037 0.000 0.990 214 E CA 2.722 59.060 56.400 -0.103 0.000 0.821 214 E CB -0.114 29.527 29.700 -0.097 0.000 0.750 214 E HN -0.016 8.107 8.360 -0.188 0.124 0.477 215 A N -1.922 120.915 122.820 0.028 0.000 1.940 215 A HA -0.223 4.129 4.320 0.053 0.000 0.219 215 A C 1.764 179.394 177.584 0.077 0.000 1.176 215 A CA 2.749 54.817 52.037 0.051 0.000 0.631 215 A CB -0.987 18.034 19.000 0.035 0.000 0.814 215 A HN -0.517 7.603 8.150 -0.001 0.030 0.446 216 A N -1.291 121.588 122.820 0.097 0.000 1.840 216 A HA -0.184 4.188 4.320 0.087 0.000 0.214 216 A C 1.664 179.346 177.584 0.162 0.000 1.198 216 A CA 2.439 54.549 52.037 0.122 0.000 0.608 216 A CB -0.584 18.503 19.000 0.144 0.000 0.839 216 A HN -0.598 7.589 8.150 0.082 0.012 0.443 217 F N -1.457 118.545 119.950 0.088 0.000 2.192 217 F HA -0.449 4.174 4.527 0.160 0.000 0.301 217 F C 1.727 177.582 175.800 0.093 0.000 1.079 217 F CA 3.446 61.519 58.000 0.120 0.000 1.303 217 F CB 0.263 39.338 39.000 0.125 0.000 1.024 217 F HN -0.703 7.795 8.300 0.329 0.000 0.494 218 N N -2.019 116.822 118.700 0.235 0.000 2.104 218 N HA -0.255 4.604 4.740 0.199 0.000 0.190 218 N C 1.260 176.806 175.510 0.060 0.000 1.024 218 N CA 2.442 55.581 53.050 0.148 0.000 0.853 218 N CB 0.054 38.612 38.487 0.119 0.000 1.008 218 N HN -0.170 8.337 8.380 0.245 0.020 0.424 219 K N -3.611 116.820 120.400 0.052 0.000 2.358 219 K HA 0.145 4.496 4.320 0.051 0.000 0.200 219 K C -0.091 176.531 176.600 0.037 0.000 1.030 219 K CA -0.900 55.413 56.287 0.043 0.000 1.097 219 K CB 0.927 33.448 32.500 0.034 0.000 0.862 219 K HN -0.574 7.624 8.250 0.067 0.092 0.534 220 G N 0.363 109.167 108.800 0.006 0.000 2.439 220 G HA2 -0.338 3.616 3.960 -0.053 0.000 0.305 220 G HA3 -0.338 3.687 3.960 0.108 0.000 0.305 220 G C -0.160 174.713 174.900 -0.045 0.000 0.966 220 G CA 1.261 46.358 45.100 -0.006 0.000 0.890 220 G HN -0.082 7.999 8.290 -0.019 0.198 0.513 221 E N -2.707 117.478 120.200 -0.025 0.000 2.304 221 E HA -0.021 4.274 4.350 -0.092 0.000 0.212 221 E C -1.638 174.951 176.600 -0.018 0.000 1.185 221 E CA -0.678 55.695 56.400 -0.044 0.000 1.326 221 E CB -1.002 28.683 29.700 -0.024 0.000 1.283 221 E HN -0.488 7.835 8.360 0.004 0.039 0.440 222 T N -2.731 111.818 114.554 -0.008 0.000 3.012 222 T HA 0.096 4.508 4.350 0.010 -0.056 0.330 222 T C -0.549 174.161 174.700 0.017 0.000 1.321 222 T CA -1.451 60.659 62.100 0.018 0.000 1.067 222 T CB 1.749 70.649 68.868 0.053 0.000 1.235 222 T HN -1.044 7.082 8.240 -0.020 0.102 0.479 223 A N 8.496 131.330 122.820 0.023 0.000 2.305 223 A HA -0.030 4.298 4.320 0.013 0.000 0.236 223 A C -1.332 176.220 177.584 -0.052 0.000 1.392 223 A CA 0.672 52.718 52.037 0.015 0.000 1.205 223 A CB -1.452 17.601 19.000 0.089 0.000 0.881 223 A HN 0.749 8.880 8.150 0.029 0.036 0.558 224 M N -0.607 118.990 119.600 -0.006 0.000 2.295 224 M HA 0.163 4.567 4.480 -0.126 0.000 0.219 224 M C -1.915 174.436 176.300 0.085 0.000 0.981 224 M CA 0.618 55.918 55.300 0.000 0.000 1.019 224 M CB 2.877 35.539 32.600 0.103 0.000 2.528 224 M HN -0.345 7.823 8.290 0.030 0.140 0.445 225 T N 1.438 115.987 114.554 -0.008 0.000 3.032 225 T HA 0.416 4.953 4.350 0.312 0.000 0.312 225 T C -2.236 172.457 174.700 -0.012 0.000 1.078 225 T CA -0.701 61.496 62.100 0.162 0.000 1.028 225 T CB 3.019 71.971 68.868 0.140 0.000 1.091 225 T HN -0.117 8.059 8.240 -0.107 0.000 0.457 226 I N 4.075 124.484 120.570 -0.268 0.000 2.362 226 I HA 0.458 4.551 4.170 -0.128 0.000 0.289 226 I C -1.281 174.891 176.117 0.092 0.000 0.994 226 I CA -1.165 59.992 61.300 -0.238 0.000 1.158 226 I CB 0.837 38.476 38.000 -0.603 0.000 1.315 226 I HN 0.343 8.168 8.210 -0.640 0.000 0.451 227 N N 6.501 125.293 118.700 0.154 0.000 2.610 227 N HA 0.212 4.907 4.740 -0.075 0.000 0.264 227 N C -2.154 173.337 175.510 -0.030 0.000 1.348 227 N CA -1.505 51.617 53.050 0.120 0.000 0.819 227 N CB 3.098 41.923 38.487 0.564 0.000 1.521 227 N HN -0.088 8.365 8.380 0.121 0.000 0.497 228 G N -3.971 104.618 108.800 -0.352 0.000 2.818 228 G HA2 0.389 4.321 3.960 -0.187 0.000 0.286 228 G HA3 0.389 4.054 3.960 -0.491 0.000 0.286 228 G C -1.710 172.530 174.900 -1.099 0.000 1.364 228 G CA -2.042 42.777 45.100 -0.468 0.000 0.938 228 G HN 0.076 8.057 8.290 -0.514 0.000 0.490 229 P HA -0.053 2.915 4.420 -2.421 0.000 0.220 229 P C -0.967 175.800 177.300 -0.888 0.000 1.148 229 P CA 1.115 63.535 63.100 -1.132 0.000 0.803 229 P CB 0.454 32.053 31.700 -0.168 0.000 0.782 230 W N -5.518 115.383 121.300 -0.665 0.000 1.788 230 W HA 0.230 4.699 4.660 -0.317 0.000 0.318 230 W C -2.436 173.868 176.519 -0.359 0.000 0.785 230 W CA -2.362 54.752 57.345 -0.385 0.000 2.625 230 W CB -2.155 27.182 29.460 -0.205 0.000 2.210 230 W HN -0.320 7.567 8.180 -0.434 0.033 0.591 231 A N 0.250 122.637 122.820 -0.722 0.000 2.455 231 A HA 0.112 4.181 4.320 -0.418 0.000 0.233 231 A C -1.721 175.683 177.584 -0.299 0.000 0.968 231 A CA 0.136 51.821 52.037 -0.587 0.000 1.189 231 A CB 0.384 18.913 19.000 -0.784 0.000 1.175 231 A HN -0.228 7.282 8.150 -0.970 0.058 0.451 232 W N -0.499 120.786 121.300 -0.025 0.000 2.361 232 W HA 0.242 4.934 4.660 0.054 0.000 0.309 232 W C -0.755 175.777 176.519 0.020 0.000 1.122 232 W CA -1.611 55.746 57.345 0.019 0.000 1.208 232 W CB 0.506 29.974 29.460 0.013 0.000 1.246 232 W HN -0.176 7.904 8.180 -0.165 0.000 0.490 233 S N 3.108 118.961 115.700 0.254 0.000 2.422 233 S HA -0.024 4.521 4.470 0.125 0.000 0.298 233 S C -0.647 174.023 174.600 0.116 0.000 1.118 233 S CA -0.097 58.192 58.200 0.149 0.000 1.083 233 S CB 0.290 63.563 63.200 0.120 0.000 0.971 233 S HN 0.120 8.612 8.310 0.303 0.000 0.478 234 N N 6.292 125.045 118.700 0.089 0.000 3.107 234 N HA -0.336 4.428 4.740 0.040 0.000 0.284 234 N C -0.990 174.538 175.510 0.031 0.000 1.807 234 N CA 0.978 54.057 53.050 0.050 0.000 1.776 234 N CB -0.124 38.385 38.487 0.035 0.000 0.810 234 N HN 0.481 8.916 8.380 0.092 0.000 0.519 235 I N -0.761 119.817 120.570 0.015 0.000 2.054 235 I HA -0.159 3.985 4.170 -0.044 0.000 0.231 235 I C -0.293 175.791 176.117 -0.055 0.000 1.052 235 I CA 0.676 61.960 61.300 -0.027 0.000 1.320 235 I CB 0.255 38.240 38.000 -0.024 0.000 1.063 235 I HN -0.174 8.048 8.210 0.020 0.000 0.393 236 D N -1.121 119.255 120.400 -0.040 0.000 9.066 236 D HA -0.083 4.538 4.640 -0.031 0.000 0.283 236 D C -0.651 175.615 176.300 -0.056 0.000 2.521 236 D CA 0.617 54.593 54.000 -0.040 0.000 2.314 236 D CB 0.064 40.845 40.800 -0.031 0.000 0.974 236 D HN 0.035 8.387 8.370 -0.031 0.000 0.694 237 T N 0.032 114.559 114.554 -0.045 0.000 3.859 237 T HA -0.045 4.268 4.350 -0.062 0.000 0.251 237 T C -0.282 174.393 174.700 -0.042 0.000 1.079 237 T CA 0.307 62.379 62.100 -0.047 0.000 1.151 237 T CB 0.102 68.950 68.868 -0.034 0.000 1.173 237 T HN -0.137 8.082 8.240 -0.035 0.000 0.885 238 S N 4.524 120.191 115.700 -0.055 0.000 2.617 238 S HA 0.006 4.461 4.470 -0.024 0.000 0.255 238 S C 0.392 174.979 174.600 -0.021 0.000 1.318 238 S CA 0.840 59.018 58.200 -0.037 0.000 0.978 238 S CB 0.798 63.967 63.200 -0.051 0.000 0.961 238 S HN -0.057 8.172 8.310 -0.079 0.034 0.582 239 K N 0.625 121.027 120.400 0.003 0.000 2.734 239 K HA 0.170 4.489 4.320 -0.001 0.000 0.200 239 K C -1.745 174.872 176.600 0.029 0.000 1.120 239 K CA 0.033 56.324 56.287 0.007 0.000 1.067 239 K CB 0.657 33.157 32.500 -0.001 0.000 0.771 239 K HN 0.185 8.443 8.250 0.014 0.000 0.481 240 V N 0.435 120.395 119.914 0.078 0.000 2.459 240 V HA 0.080 4.222 4.120 0.037 0.000 0.295 240 V C -0.656 175.559 176.094 0.202 0.000 1.029 240 V CA -0.830 61.543 62.300 0.121 0.000 0.874 240 V CB 0.991 32.943 31.823 0.215 0.000 0.985 240 V HN -0.480 7.757 8.190 0.080 0.000 0.438 241 N N 6.096 124.833 118.700 0.062 0.000 2.514 241 N HA 0.022 4.842 4.740 0.132 0.000 0.277 241 N C -1.581 173.942 175.510 0.021 0.000 1.126 241 N CA 0.195 53.289 53.050 0.073 0.000 0.978 241 N CB 1.026 39.509 38.487 -0.007 0.000 1.106 241 N HN 0.150 8.522 8.380 -0.014 0.000 0.461 242 Y N 0.929 121.193 120.300 -0.062 0.000 2.499 242 Y HA 0.100 4.621 4.550 -0.049 0.000 0.347 242 Y C -0.102 175.780 175.900 -0.029 0.000 0.987 242 Y CA -0.780 57.286 58.100 -0.057 0.000 1.044 242 Y CB 3.489 41.895 38.460 -0.090 0.000 1.245 242 Y HN -0.087 8.340 8.280 0.245 0.000 0.461 243 G N 1.606 110.472 108.800 0.110 0.000 2.335 243 G HA2 0.388 4.395 3.960 0.078 0.000 0.316 243 G HA3 0.388 4.408 3.960 0.100 0.000 0.316 243 G C -2.215 172.764 174.900 0.132 0.000 1.129 243 G CA -0.851 44.312 45.100 0.104 0.000 0.899 243 G HN 0.275 8.607 8.290 0.071 0.000 0.448 244 V N 1.529 121.506 119.914 0.106 0.000 2.357 244 V HA 0.778 5.092 4.120 0.089 -0.141 0.284 244 V C -1.127 175.027 176.094 0.100 0.000 1.018 244 V CA -1.760 60.597 62.300 0.094 0.000 0.841 244 V CB 0.681 32.550 31.823 0.077 0.000 0.991 244 V HN 0.254 8.494 8.190 0.085 0.000 0.437 245 T N 4.241 118.867 114.554 0.120 0.000 2.901 245 T HA 0.369 4.773 4.350 0.090 0.000 0.293 245 T C -2.009 172.737 174.700 0.076 0.000 1.084 245 T CA -2.256 59.920 62.100 0.128 0.000 1.008 245 T CB 3.123 72.143 68.868 0.254 0.000 1.170 245 T HN 0.557 8.854 8.240 0.095 0.000 0.509 246 V N 0.832 120.787 119.914 0.069 0.000 2.716 246 V HA 0.109 4.248 4.120 0.032 0.000 0.304 246 V C -0.734 175.398 176.094 0.063 0.000 1.053 246 V CA -1.440 60.889 62.300 0.048 0.000 0.984 246 V CB 1.912 33.757 31.823 0.037 0.000 1.021 246 V HN 0.291 8.524 8.190 0.072 0.000 0.467 247 L N 6.718 127.982 121.223 0.069 0.000 2.506 247 L HA 0.018 4.418 4.340 0.101 0.000 0.281 247 L C -0.890 176.080 176.870 0.167 0.000 1.228 247 L CA -0.328 54.597 54.840 0.142 0.000 0.850 247 L CB -0.985 41.200 42.059 0.210 0.000 1.110 247 L HN 0.051 8.311 8.230 0.051 0.000 0.496 248 P HA 0.158 4.658 4.420 0.134 0.000 0.337 248 P C -1.260 176.219 177.300 0.299 0.000 1.340 248 P CA -0.514 62.712 63.100 0.210 0.000 0.764 248 P CB 0.970 32.761 31.700 0.152 0.000 1.718 249 T N -3.724 110.997 114.554 0.278 0.000 2.949 249 T HA 0.353 4.828 4.350 0.209 0.000 0.287 249 T C -1.567 173.338 174.700 0.341 0.000 1.034 249 T CA -1.603 60.639 62.100 0.237 0.000 1.018 249 T CB 2.557 71.499 68.868 0.124 0.000 1.135 249 T HN -0.053 8.328 8.240 0.234 0.000 0.532 250 F N 0.974 120.934 119.950 0.017 0.000 2.562 250 F HA 0.321 4.848 4.527 -0.001 0.000 0.319 250 F C -0.193 175.557 175.800 -0.083 0.000 1.154 250 F CA -0.345 57.623 58.000 -0.054 0.000 0.931 250 F CB 3.172 42.062 39.000 -0.184 0.000 1.198 250 F HN -0.260 8.045 8.300 0.204 0.117 0.444 251 K N 5.374 125.518 120.400 -0.427 0.000 3.596 251 K HA -0.425 3.686 4.320 -0.347 0.000 0.295 251 K C -0.415 176.111 176.600 -0.124 0.000 1.230 251 K CA 1.621 57.730 56.287 -0.296 0.000 1.029 251 K CB -0.437 31.920 32.500 -0.239 0.000 1.303 251 K HN 1.102 8.969 8.250 -0.637 0.000 0.442 252 G N -6.788 101.976 108.800 -0.061 0.000 2.425 252 G HA2 -0.262 3.690 3.960 -0.014 0.000 0.177 252 G HA3 -0.262 3.682 3.960 -0.028 0.000 0.177 252 G C -0.998 173.907 174.900 0.008 0.000 0.999 252 G CA -0.292 44.795 45.100 -0.021 0.000 0.723 252 G HN 0.050 8.173 8.290 -0.042 0.142 0.491 253 Q N 0.173 119.986 119.800 0.021 0.000 2.331 253 Q HA 0.475 4.833 4.340 0.029 0.000 0.272 253 Q C -2.364 173.665 176.000 0.048 0.000 1.062 253 Q CA -3.304 52.515 55.803 0.028 0.000 0.806 253 Q CB 2.560 31.302 28.738 0.006 0.000 1.312 253 Q HN -0.291 7.887 8.270 0.022 0.105 0.431 254 P HA 0.088 4.557 4.420 0.081 0.000 0.282 254 P C -0.388 176.907 177.300 -0.009 0.000 1.286 254 P CA -0.779 62.347 63.100 0.043 0.000 0.777 254 P CB 0.920 32.643 31.700 0.038 0.000 1.184 255 S N 0.181 115.859 115.700 -0.037 0.000 2.681 255 S HA 0.158 4.687 4.470 -0.103 -0.121 0.299 255 S C -1.392 173.155 174.600 -0.088 0.000 1.113 255 S CA -1.731 56.413 58.200 -0.094 0.000 1.013 255 S CB 0.936 64.043 63.200 -0.154 0.000 1.076 255 S HN 0.393 8.697 8.310 -0.011 0.000 0.534 256 K N 1.099 121.428 120.400 -0.118 0.000 2.419 256 K HA 0.571 4.824 4.320 -0.111 0.000 0.244 256 K C -2.291 174.148 176.600 -0.268 0.000 1.045 256 K CA -2.808 53.395 56.287 -0.140 0.000 1.004 256 K CB -0.667 31.776 32.500 -0.095 0.000 1.376 256 K HN 0.359 8.534 8.250 -0.125 0.000 0.460 257 P HA 0.225 4.234 4.420 -0.686 0.000 0.341 257 P C -1.847 175.141 177.300 -0.520 0.000 1.297 257 P CA -1.204 61.633 63.100 -0.438 0.000 0.761 257 P CB 1.157 32.768 31.700 -0.148 0.000 1.574 258 F N -3.768 116.118 119.950 -0.107 0.000 2.408 258 F HA 0.128 4.589 4.527 -0.109 0.000 0.344 258 F C -0.168 175.599 175.800 -0.055 0.000 1.112 258 F CA -0.245 57.699 58.000 -0.094 0.000 1.096 258 F CB 0.735 39.675 39.000 -0.100 0.000 1.129 258 F HN -0.352 8.031 8.300 0.137 0.000 0.486 259 V N 0.929 120.902 119.914 0.098 0.000 2.628 259 V HA 0.265 4.406 4.120 0.035 0.000 0.306 259 V C -1.070 175.043 176.094 0.031 0.000 1.045 259 V CA -1.794 60.527 62.300 0.034 0.000 0.905 259 V CB 1.894 33.702 31.823 -0.025 0.000 0.997 259 V HN -0.106 8.133 8.190 0.082 0.000 0.436 260 G N 3.307 112.092 108.800 -0.024 0.000 2.701 260 G HA2 0.635 4.573 3.960 -0.036 0.000 0.300 260 G HA3 0.635 4.547 3.960 -0.079 0.000 0.300 260 G C -2.761 172.038 174.900 -0.168 0.000 1.410 260 G CA -0.377 44.676 45.100 -0.078 0.000 1.014 260 G HN -0.275 7.998 8.290 -0.028 0.000 0.509 261 V N 0.444 120.199 119.914 -0.265 0.000 2.638 261 V HA 1.024 5.272 4.120 -0.208 -0.253 0.306 261 V C -1.864 174.099 176.094 -0.218 0.000 1.052 261 V CA -2.583 59.543 62.300 -0.290 0.000 0.885 261 V CB 3.462 35.024 31.823 -0.436 0.000 0.999 261 V HN 0.152 8.195 8.190 -0.245 0.000 0.424 262 L N 5.650 126.775 121.223 -0.164 0.000 2.265 262 L HA 0.264 4.484 4.340 -0.221 -0.013 0.288 262 L C -0.913 175.877 176.870 -0.133 0.000 1.058 262 L CA -0.294 54.455 54.840 -0.152 0.000 0.809 262 L CB 1.152 43.165 42.059 -0.077 0.000 1.179 262 L HN 0.467 8.517 8.230 -0.134 0.099 0.429 263 S N 5.796 121.354 115.700 -0.238 0.000 2.475 263 S HA 0.562 5.152 4.470 -0.127 -0.197 0.281 263 S C -0.989 173.040 174.600 -0.952 0.000 1.198 263 S CA -0.464 57.549 58.200 -0.313 0.000 1.063 263 S CB 1.304 64.501 63.200 -0.005 0.000 0.972 263 S HN 0.931 8.943 8.310 -0.221 0.166 0.486 264 A N 5.617 128.080 122.820 -0.595 0.000 2.304 264 A HA 0.669 4.389 4.320 -1.239 -0.144 0.301 264 A C -1.109 176.368 177.584 -0.179 0.000 1.132 264 A CA -1.911 49.641 52.037 -0.808 0.000 0.819 264 A CB 1.915 20.402 19.000 -0.854 0.000 1.094 264 A HN 0.813 8.709 8.150 -0.227 0.118 0.492 265 G N -0.334 108.575 108.800 0.181 0.000 2.579 265 G HA2 0.456 4.555 3.960 0.232 0.000 0.292 265 G HA3 0.456 4.894 3.960 0.797 0.000 0.292 265 G C -2.988 172.088 174.900 0.294 0.000 1.484 265 G CA 0.383 45.752 45.100 0.448 0.000 0.813 265 G HN -0.485 7.813 8.290 0.014 0.000 0.515 266 I N -1.111 119.555 120.570 0.160 0.000 2.740 266 I HA 0.351 4.599 4.170 0.131 0.000 0.303 266 I C -1.231 174.927 176.117 0.069 0.000 1.044 266 I CA -2.081 59.282 61.300 0.104 0.000 1.064 266 I CB 3.810 41.846 38.000 0.059 0.000 1.249 266 I HN 0.363 8.658 8.210 0.143 0.000 0.433 267 N N 2.673 121.408 118.700 0.058 0.000 2.416 267 N HA -0.160 4.781 4.740 0.034 -0.180 0.246 267 N C 0.629 176.153 175.510 0.024 0.000 1.260 267 N CA -0.013 53.060 53.050 0.038 0.000 0.897 267 N CB 0.373 38.883 38.487 0.038 0.000 1.110 267 N HN 0.274 8.696 8.380 0.069 0.000 0.439 268 A N -0.554 122.276 122.820 0.017 0.000 2.150 268 A HA -0.086 4.242 4.320 0.013 0.000 0.220 268 A C -1.095 176.492 177.584 0.004 0.000 1.356 268 A CA 0.669 52.712 52.037 0.010 0.000 1.145 268 A CB -1.559 17.444 19.000 0.006 0.000 0.826 268 A HN 0.187 8.225 8.150 0.017 0.122 0.524 269 A N -1.971 120.851 122.820 0.003 0.000 2.538 269 A HA 0.106 4.422 4.320 -0.006 0.000 0.276 269 A C -0.457 177.121 177.584 -0.011 0.000 0.908 269 A CA -0.298 51.736 52.037 -0.005 0.000 1.042 269 A CB 0.728 19.724 19.000 -0.006 0.000 1.218 269 A HN 0.111 8.239 8.150 0.008 0.026 0.517 270 S N 1.893 117.588 115.700 -0.008 0.000 2.549 270 S HA 0.163 4.618 4.470 -0.024 0.000 0.283 270 S C -1.581 173.002 174.600 -0.029 0.000 1.320 270 S CA -1.231 56.958 58.200 -0.019 0.000 1.058 270 S CB 0.021 63.214 63.200 -0.011 0.000 0.882 270 S HN -0.663 7.646 8.310 -0.001 0.000 0.498 271 P HA 0.024 4.420 4.420 -0.040 0.000 0.286 271 P C -1.040 176.223 177.300 -0.061 0.000 1.269 271 P CA -0.320 62.749 63.100 -0.051 0.000 0.787 271 P CB 0.525 32.187 31.700 -0.062 0.000 0.920 272 N N 2.110 120.782 118.700 -0.047 0.000 2.385 272 N HA -0.289 4.432 4.740 -0.031 0.000 0.290 272 N C 0.951 176.440 175.510 -0.035 0.000 1.440 272 N CA 0.841 53.864 53.050 -0.044 0.000 0.633 272 N CB -0.206 38.241 38.487 -0.067 0.000 0.927 272 N HN 0.423 8.781 8.380 -0.038 0.000 0.496 273 K N 3.484 123.873 120.400 -0.018 0.000 2.062 273 K HA -0.297 4.017 4.320 -0.010 0.000 0.205 273 K C 1.455 178.058 176.600 0.004 0.000 1.051 273 K CA 3.196 59.478 56.287 -0.008 0.000 0.941 273 K CB -0.096 32.402 32.500 -0.004 0.000 0.719 273 K HN 0.333 8.574 8.250 -0.016 0.000 0.440 274 E N 0.309 120.514 120.200 0.008 0.000 2.106 274 E HA -0.289 4.078 4.350 0.029 0.000 0.192 274 E C 2.245 178.874 176.600 0.049 0.000 0.984 274 E CA 3.076 59.492 56.400 0.026 0.000 0.806 274 E CB -0.324 29.390 29.700 0.025 0.000 0.750 274 E HN 0.348 8.709 8.360 0.002 0.000 0.458 275 L N -2.508 118.729 121.223 0.022 0.000 2.156 275 L HA -0.238 4.167 4.340 0.108 0.000 0.208 275 L C 1.537 178.426 176.870 0.031 0.000 1.095 275 L CA 2.655 57.507 54.840 0.020 0.000 0.770 275 L CB -0.166 41.835 42.059 -0.097 0.000 0.914 275 L HN -0.151 8.064 8.230 -0.003 0.013 0.439 276 A N -0.842 121.978 122.820 -0.000 0.000 1.872 276 A HA -0.278 4.040 4.320 -0.003 0.000 0.214 276 A C 1.522 179.157 177.584 0.085 0.000 1.187 276 A CA 3.419 55.467 52.037 0.018 0.000 0.614 276 A CB -0.668 18.324 19.000 -0.014 0.000 0.826 276 A HN -0.243 7.786 8.150 -0.013 0.113 0.442 277 K N -2.180 118.259 120.400 0.065 0.000 2.147 277 K HA -0.367 3.979 4.320 0.043 0.000 0.205 277 K C 2.180 178.843 176.600 0.105 0.000 1.049 277 K CA 3.305 59.628 56.287 0.061 0.000 0.936 277 K CB -0.688 31.831 32.500 0.032 0.000 0.722 277 K HN 0.066 8.342 8.250 0.044 0.000 0.446 278 E N -0.185 120.108 120.200 0.155 0.000 2.076 278 E HA -0.196 4.234 4.350 0.134 0.000 0.190 278 E C 1.888 178.646 176.600 0.264 0.000 0.979 278 E CA 2.568 59.083 56.400 0.191 0.000 0.807 278 E CB 0.088 29.916 29.700 0.213 0.000 0.761 278 E HN -0.665 7.766 8.360 0.148 0.018 0.454 279 F N -0.127 119.882 119.950 0.098 0.000 2.146 279 F HA -0.268 4.401 4.527 0.236 0.000 0.298 279 F C 2.468 178.344 175.800 0.128 0.000 1.096 279 F CA 3.596 61.677 58.000 0.134 0.000 1.275 279 F CB 0.264 39.298 39.000 0.056 0.000 1.008 279 F HN -0.349 8.244 8.300 0.489 0.000 0.480 280 L N -2.848 118.524 121.223 0.248 0.000 2.156 280 L HA -0.360 4.100 4.340 0.200 0.000 0.208 280 L C 2.000 178.977 176.870 0.178 0.000 1.095 280 L CA 3.079 58.027 54.840 0.181 0.000 0.770 280 L CB -0.046 42.077 42.059 0.107 0.000 0.914 280 L HN 0.401 8.776 8.230 0.242 0.000 0.439 281 E N -1.794 118.489 120.200 0.138 0.000 2.204 281 E HA -0.244 4.156 4.350 0.083 0.000 0.195 281 E C 1.032 177.705 176.600 0.121 0.000 0.990 281 E CA 2.619 59.082 56.400 0.104 0.000 0.821 281 E CB 0.020 29.767 29.700 0.077 0.000 0.750 281 E HN -0.485 7.960 8.360 0.142 0.000 0.477 282 N N -3.777 115.014 118.700 0.152 0.000 2.184 282 N HA 0.137 4.946 4.740 0.114 0.000 0.206 282 N C -0.621 175.012 175.510 0.205 0.000 1.151 282 N CA 0.621 53.762 53.050 0.151 0.000 0.878 282 N CB 1.766 40.329 38.487 0.126 0.000 1.014 282 N HN -0.703 7.749 8.380 0.174 0.033 0.512 283 Y N 0.113 120.454 120.300 0.069 0.000 2.226 283 Y HA -0.149 4.395 4.550 -0.010 0.000 0.275 283 Y C -0.520 175.392 175.900 0.020 0.000 1.087 283 Y CA 3.273 61.366 58.100 -0.011 0.000 1.086 283 Y CB 1.600 39.996 38.460 -0.106 0.000 1.026 283 Y HN -0.640 7.675 8.280 0.286 0.136 0.484 284 L N -3.234 118.180 121.223 0.318 0.000 3.064 284 L HA 0.155 4.517 4.340 0.037 0.000 0.233 284 L C -1.223 175.729 176.870 0.136 0.000 1.333 284 L CA -0.027 54.925 54.840 0.188 0.000 1.140 284 L CB -1.507 40.743 42.059 0.318 0.000 1.519 284 L HN -0.295 8.210 8.230 0.458 0.000 0.493 285 L N -1.455 119.825 121.223 0.094 0.000 3.584 285 L HA 0.292 4.665 4.340 0.056 0.000 0.354 285 L C -1.284 175.620 176.870 0.057 0.000 1.345 285 L CA 0.175 55.061 54.840 0.076 0.000 0.970 285 L CB 1.387 43.507 42.059 0.102 0.000 1.374 285 L HN -0.706 7.493 8.230 0.083 0.081 0.612 286 T N -1.241 113.335 114.554 0.036 0.000 2.802 286 T HA 0.296 4.688 4.350 0.070 0.000 0.311 286 T C -0.623 174.102 174.700 0.041 0.000 1.405 286 T CA -0.953 61.177 62.100 0.051 0.000 1.016 286 T CB 3.063 71.966 68.868 0.059 0.000 1.352 286 T HN -0.657 7.592 8.240 0.014 0.000 0.498 287 D N 0.333 120.781 120.400 0.081 0.000 2.354 287 D HA -0.291 4.423 4.640 0.123 0.000 0.216 287 D C 0.182 176.506 176.300 0.041 0.000 0.970 287 D CA 2.325 56.380 54.000 0.092 0.000 0.905 287 D CB -0.728 40.135 40.800 0.105 0.000 0.903 287 D HN 0.344 8.771 8.370 0.095 0.000 0.508 288 E N -0.836 119.377 120.200 0.022 0.000 2.021 288 E HA -0.181 4.172 4.350 0.004 0.000 0.189 288 E C 0.996 177.576 176.600 -0.033 0.000 0.980 288 E CA 1.983 58.386 56.400 0.005 0.000 0.803 288 E CB -0.127 29.587 29.700 0.023 0.000 0.766 288 E HN 0.028 8.327 8.360 0.031 0.080 0.449 289 G N -3.293 105.457 108.800 -0.083 0.000 2.673 289 G HA2 0.127 3.958 3.960 -0.215 0.000 0.208 289 G HA3 0.127 4.089 3.960 -0.371 -0.224 0.208 289 G C 0.591 175.406 174.900 -0.141 0.000 1.128 289 G CA 0.329 45.304 45.100 -0.208 0.000 0.805 289 G HN -0.655 7.605 8.290 -0.050 0.000 0.526 290 L N 2.045 123.215 121.223 -0.088 0.000 1.955 290 L HA -0.443 3.837 4.340 -0.099 0.000 0.213 290 L C 1.736 178.568 176.870 -0.064 0.000 1.072 290 L CA 4.409 59.195 54.840 -0.091 0.000 0.755 290 L CB 0.063 42.047 42.059 -0.124 0.000 0.888 290 L HN 0.625 8.817 8.230 -0.064 0.000 0.432 291 E N -1.538 118.655 120.200 -0.012 0.000 2.233 291 E HA -0.477 4.063 4.350 0.059 -0.155 0.199 291 E C 1.988 178.594 176.600 0.009 0.000 1.004 291 E CA 2.862 59.283 56.400 0.034 0.000 0.819 291 E CB -0.334 29.405 29.700 0.066 0.000 0.738 291 E HN -0.213 8.149 8.360 0.003 0.000 0.478 292 A N -2.229 120.579 122.820 -0.021 0.000 1.845 292 A HA -0.206 4.111 4.320 -0.005 0.000 0.215 292 A C 2.302 179.877 177.584 -0.015 0.000 1.195 292 A CA 2.883 54.906 52.037 -0.024 0.000 0.616 292 A CB -0.469 18.493 19.000 -0.062 0.000 0.832 292 A HN -0.785 7.181 8.150 -0.039 0.160 0.443 293 V N -3.078 116.813 119.914 -0.038 0.000 2.878 293 V HA -0.222 3.895 4.120 -0.005 0.000 0.250 293 V C -0.241 175.843 176.094 -0.017 0.000 1.075 293 V CA 1.865 64.147 62.300 -0.029 0.000 1.096 293 V CB 0.784 32.566 31.823 -0.069 0.000 0.724 293 V HN -0.406 7.746 8.190 -0.063 0.000 0.467 294 N N -5.534 113.151 118.700 -0.025 0.000 2.184 294 N HA 0.067 4.809 4.740 0.004 0.000 0.206 294 N C 0.016 175.545 175.510 0.032 0.000 1.151 294 N CA -0.183 52.861 53.050 -0.010 0.000 0.878 294 N CB 0.688 39.138 38.487 -0.061 0.000 1.014 294 N HN 0.176 8.424 8.380 -0.036 0.111 0.512 295 K N -1.332 119.091 120.400 0.038 0.000 2.436 295 K HA 0.070 4.436 4.320 0.076 0.000 0.198 295 K C 0.912 177.539 176.600 0.045 0.000 1.174 295 K CA 0.903 57.227 56.287 0.061 0.000 0.951 295 K CB 0.873 33.422 32.500 0.081 0.000 1.040 295 K HN -0.230 7.952 8.250 0.020 0.079 0.536 296 D N -0.647 119.775 120.400 0.036 0.000 2.158 296 D HA -0.253 4.408 4.640 0.034 0.000 0.197 296 D C -0.083 176.240 176.300 0.039 0.000 0.995 296 D CA 2.681 56.704 54.000 0.038 0.000 0.846 296 D CB 0.498 41.324 40.800 0.043 0.000 0.941 296 D HN -0.344 8.044 8.370 0.030 0.000 0.456 297 K N -4.827 115.598 120.400 0.043 0.000 2.584 297 K HA 0.213 4.555 4.320 0.036 0.000 0.260 297 K C -3.009 173.621 176.600 0.050 0.000 0.949 297 K CA -2.009 54.303 56.287 0.043 0.000 0.888 297 K CB 1.984 34.510 32.500 0.043 0.000 1.330 297 K HN -0.551 7.714 8.250 0.043 0.010 0.432 298 P HA 0.144 4.599 4.420 0.059 0.000 0.271 298 P C -1.021 176.324 177.300 0.074 0.000 1.216 298 P CA -0.105 63.030 63.100 0.058 0.000 0.771 298 P CB 0.480 32.211 31.700 0.053 0.000 0.864 299 L N -3.638 117.638 121.223 0.088 0.000 2.481 299 L HA 0.343 4.784 4.340 0.168 0.000 0.253 299 L C -0.556 176.387 176.870 0.121 0.000 1.071 299 L CA 0.524 55.446 54.840 0.137 0.000 1.189 299 L CB 0.565 42.718 42.059 0.157 0.000 2.356 299 L HN -0.235 8.037 8.230 0.070 0.000 0.545 300 G N -1.195 107.648 108.800 0.071 0.000 2.542 300 G HA2 0.247 4.240 3.960 0.054 0.000 0.311 300 G HA3 0.247 4.222 3.960 0.025 0.000 0.311 300 G C -1.161 173.749 174.900 0.017 0.000 1.298 300 G CA -0.627 44.497 45.100 0.041 0.000 0.973 300 G HN -0.499 7.825 8.290 0.057 0.000 0.487 301 A N 1.901 124.723 122.820 0.004 0.000 2.340 301 A HA 0.197 4.520 4.320 0.004 0.000 0.268 301 A C -1.160 176.404 177.584 -0.034 0.000 1.100 301 A CA -0.320 51.711 52.037 -0.011 0.000 0.803 301 A CB 1.049 20.035 19.000 -0.023 0.000 1.043 301 A HN 0.153 8.307 8.150 0.006 0.000 0.488 302 V N -1.675 118.214 119.914 -0.041 0.000 2.973 302 V HA 0.132 4.226 4.120 -0.042 0.000 0.314 302 V C -0.161 175.907 176.094 -0.045 0.000 1.066 302 V CA -1.988 60.280 62.300 -0.053 0.000 1.021 302 V CB 2.649 34.407 31.823 -0.108 0.000 1.076 302 V HN -0.034 8.140 8.190 -0.027 0.000 0.462 303 A N 6.560 129.365 122.820 -0.025 0.000 3.135 303 A HA 0.071 4.350 4.320 -0.068 0.000 0.253 303 A C -1.369 176.228 177.584 0.022 0.000 1.638 303 A CA -0.515 51.508 52.037 -0.022 0.000 1.295 303 A CB -1.541 17.450 19.000 -0.016 0.000 1.106 303 A HN 0.528 8.674 8.150 -0.006 0.000 0.648 304 L N -1.034 120.200 121.223 0.018 0.000 2.406 304 L HA 0.214 4.605 4.340 0.085 0.000 0.272 304 L C -0.227 176.683 176.870 0.067 0.000 0.980 304 L CA -0.576 54.308 54.840 0.072 0.000 0.831 304 L CB 2.306 44.431 42.059 0.109 0.000 1.253 304 L HN -0.466 7.674 8.230 -0.008 0.086 0.406 305 K N 4.804 125.245 120.400 0.068 0.000 2.097 305 K HA -0.231 4.252 4.320 0.001 -0.163 0.205 305 K C 1.790 178.432 176.600 0.070 0.000 1.050 305 K CA 3.311 59.632 56.287 0.056 0.000 0.938 305 K CB 0.179 32.740 32.500 0.102 0.000 0.718 305 K HN 0.715 9.017 8.250 0.087 0.000 0.442 306 S N 0.653 116.411 115.700 0.097 0.000 2.368 306 S HA -0.229 4.269 4.470 0.046 0.000 0.224 306 S C 2.109 176.747 174.600 0.064 0.000 1.029 306 S CA 3.059 61.305 58.200 0.077 0.000 0.988 306 S CB -0.347 62.907 63.200 0.090 0.000 0.838 306 S HN 0.008 8.370 8.310 0.111 0.014 0.462 307 Y N 2.325 122.631 120.300 0.010 0.000 2.163 307 Y HA -0.353 4.202 4.550 0.008 0.000 0.288 307 Y C 2.089 177.986 175.900 -0.007 0.000 1.136 307 Y CA 3.526 61.629 58.100 0.005 0.000 1.147 307 Y CB 0.156 38.621 38.460 0.009 0.000 0.987 307 Y HN -0.289 8.167 8.280 0.292 0.000 0.509 308 E N -2.608 117.678 120.200 0.144 0.000 2.265 308 E HA -0.379 4.014 4.350 0.072 0.000 0.196 308 E C 1.187 177.798 176.600 0.017 0.000 0.996 308 E CA 2.490 58.924 56.400 0.055 0.000 0.832 308 E CB -0.592 29.103 29.700 -0.009 0.000 0.756 308 E HN -0.479 7.975 8.360 0.157 0.000 0.491 309 E N -3.003 117.205 120.200 0.013 0.000 2.153 309 E HA -0.261 4.091 4.350 0.003 0.000 0.194 309 E C 1.530 178.120 176.600 -0.016 0.000 0.988 309 E CA 2.368 58.767 56.400 -0.001 0.000 0.811 309 E CB -0.036 29.665 29.700 0.002 0.000 0.746 309 E HN -0.570 7.665 8.360 0.029 0.142 0.466 310 E N -1.387 118.792 120.200 -0.035 0.000 2.276 310 E HA -0.019 4.308 4.350 -0.038 0.000 0.193 310 E C 2.178 178.765 176.600 -0.023 0.000 0.983 310 E CA 0.978 57.349 56.400 -0.047 0.000 0.861 310 E CB 0.665 30.306 29.700 -0.099 0.000 0.817 310 E HN -0.697 7.611 8.360 -0.041 0.028 0.485 311 L N -0.405 120.818 121.223 -0.001 0.000 2.563 311 L HA -0.263 4.096 4.340 0.031 0.000 0.230 311 L C 1.296 178.172 176.870 0.010 0.000 1.162 311 L CA 1.797 56.650 54.840 0.023 0.000 0.812 311 L CB -1.040 41.047 42.059 0.047 0.000 0.935 311 L HN -0.376 7.762 8.230 0.001 0.092 0.451 312 A N -2.271 120.550 122.820 0.000 0.000 2.084 312 A HA -0.334 3.986 4.320 -0.001 0.000 0.221 312 A C 1.034 178.618 177.584 0.001 0.000 1.161 312 A CA 2.394 54.431 52.037 -0.001 0.000 0.653 312 A CB -0.403 18.594 19.000 -0.004 0.000 0.802 312 A HN -0.007 8.005 8.150 -0.004 0.136 0.457 313 K N -2.445 117.957 120.400 0.002 0.000 2.062 313 K HA -0.092 4.227 4.320 -0.000 0.000 0.205 313 K C 0.227 176.832 176.600 0.007 0.000 1.051 313 K CA 1.128 57.416 56.287 0.002 0.000 0.941 313 K CB 0.166 32.667 32.500 0.001 0.000 0.719 313 K HN -0.709 7.488 8.250 0.001 0.054 0.440 314 D N -0.641 119.767 120.400 0.015 0.000 2.351 314 D HA 0.171 4.821 4.640 0.017 0.000 0.251 314 D C -0.914 175.398 176.300 0.019 0.000 1.137 314 D CA -1.471 52.541 54.000 0.020 0.000 0.879 314 D CB 0.477 41.297 40.800 0.033 0.000 1.181 314 D HN -0.565 7.725 8.370 0.017 0.090 0.448 315 P HA 0.180 4.611 4.420 0.018 0.000 0.262 315 P C 0.508 177.831 177.300 0.037 0.000 1.304 315 P CA 0.172 63.287 63.100 0.024 0.000 0.859 315 P CB 0.921 32.634 31.700 0.022 0.000 1.310 316 R N -0.617 119.911 120.500 0.047 0.000 2.055 316 R HA -0.252 4.140 4.340 0.087 0.000 0.228 316 R C 1.671 177.995 176.300 0.040 0.000 1.143 316 R CA 2.781 58.921 56.100 0.068 0.000 0.945 316 R CB -1.389 28.965 30.300 0.090 0.000 0.841 316 R HN 0.084 8.307 8.270 0.043 0.072 0.429 317 I N -2.551 118.031 120.570 0.021 0.000 2.394 317 I HA -0.307 3.854 4.170 -0.015 0.000 0.251 317 I C 0.955 177.060 176.117 -0.021 0.000 1.136 317 I CA 2.429 63.724 61.300 -0.009 0.000 1.425 317 I CB -0.305 37.683 38.000 -0.020 0.000 1.079 317 I HN 0.027 8.254 8.210 0.027 0.000 0.425 318 A N -1.209 121.607 122.820 -0.007 0.000 1.854 318 A HA -0.291 4.015 4.320 -0.023 0.000 0.214 318 A C 1.249 178.831 177.584 -0.003 0.000 1.192 318 A CA 2.601 54.632 52.037 -0.010 0.000 0.611 318 A CB -0.699 18.300 19.000 -0.001 0.000 0.832 318 A HN -0.219 7.914 8.150 0.005 0.020 0.442 319 A N -1.552 121.275 122.820 0.012 0.000 1.865 319 A HA -0.291 4.040 4.320 0.018 0.000 0.217 319 A C 2.452 180.043 177.584 0.012 0.000 1.191 319 A CA 2.678 54.727 52.037 0.020 0.000 0.623 319 A CB -0.695 18.327 19.000 0.037 0.000 0.826 319 A HN -0.445 7.611 8.150 0.018 0.106 0.444 320 T N 0.842 115.402 114.554 0.010 0.000 2.881 320 T HA -0.243 4.331 4.350 0.006 -0.221 0.270 320 T C 1.574 176.256 174.700 -0.030 0.000 1.068 320 T CA 3.742 65.841 62.100 -0.002 0.000 1.131 320 T CB -0.671 68.200 68.868 0.004 0.000 0.871 320 T HN -0.457 7.794 8.240 0.018 0.000 0.479 321 M N 0.608 120.184 119.600 -0.039 0.000 2.267 321 M HA -0.419 4.008 4.480 -0.088 0.000 0.263 321 M C 1.604 177.870 176.300 -0.056 0.000 1.063 321 M CA 3.820 59.082 55.300 -0.064 0.000 1.090 321 M CB -0.267 32.295 32.600 -0.063 0.000 1.392 321 M HN -0.484 7.645 8.290 -0.027 0.144 0.422 322 E N -0.766 119.415 120.200 -0.032 0.000 2.028 322 E HA -0.382 3.954 4.350 -0.024 0.000 0.191 322 E C 1.966 178.546 176.600 -0.033 0.000 0.988 322 E CA 4.223 60.609 56.400 -0.023 0.000 0.799 322 E CB -0.104 29.594 29.700 -0.002 0.000 0.755 322 E HN -0.473 7.726 8.360 -0.021 0.149 0.447 323 N N -2.953 115.730 118.700 -0.029 0.000 2.270 323 N HA -0.245 4.479 4.740 -0.026 0.000 0.181 323 N C 1.476 176.946 175.510 -0.067 0.000 1.016 323 N CA 2.297 55.326 53.050 -0.034 0.000 0.870 323 N CB -0.398 38.077 38.487 -0.020 0.000 0.979 323 N HN -0.583 7.785 8.380 -0.020 0.000 0.431 324 A N 0.262 123.030 122.820 -0.087 0.000 1.908 324 A HA -0.318 3.931 4.320 -0.119 0.000 0.218 324 A C 2.746 180.200 177.584 -0.217 0.000 1.181 324 A CA 2.764 54.719 52.037 -0.137 0.000 0.627 324 A CB -0.955 17.960 19.000 -0.143 0.000 0.818 324 A HN 0.107 8.194 8.150 -0.071 0.021 0.445 325 Q N -2.019 117.657 119.800 -0.207 0.000 2.170 325 Q HA -0.230 3.814 4.340 -0.493 0.000 0.203 325 Q C 1.425 177.321 176.000 -0.173 0.000 0.976 325 Q CA 2.290 57.933 55.803 -0.266 0.000 0.858 325 Q CB 0.510 29.158 28.738 -0.150 0.000 0.907 325 Q HN -0.560 7.623 8.270 -0.146 0.000 0.433 326 K N -2.307 118.036 120.400 -0.095 0.000 3.167 326 K HA 0.201 4.508 4.320 -0.022 0.000 0.208 326 K C -1.154 175.423 176.600 -0.038 0.000 1.159 326 K CA -0.929 55.334 56.287 -0.040 0.000 1.018 326 K CB 0.545 33.037 32.500 -0.013 0.000 0.927 326 K HN -0.609 7.474 8.250 -0.090 0.114 0.476 327 G N -2.044 106.721 108.800 -0.059 0.000 2.714 327 G HA2 0.362 4.289 3.960 -0.056 0.000 0.292 327 G HA3 0.362 4.344 3.960 -0.072 -0.064 0.292 327 G C -1.546 173.327 174.900 -0.045 0.000 1.308 327 G CA -0.828 44.237 45.100 -0.059 0.000 0.964 327 G HN -0.735 7.444 8.290 -0.087 0.059 0.484 328 E N -0.458 119.701 120.200 -0.069 0.000 2.195 328 E HA 0.417 4.753 4.350 -0.023 0.000 0.271 328 E C -0.938 175.617 176.600 -0.075 0.000 0.923 328 E CA -1.371 54.992 56.400 -0.061 0.000 0.790 328 E CB 3.175 32.830 29.700 -0.075 0.000 1.155 328 E HN 0.012 8.309 8.360 -0.104 0.000 0.402 329 I N 2.323 122.861 120.570 -0.054 0.000 2.529 329 I HA -0.176 4.008 4.170 0.023 0.000 0.284 329 I C 0.676 176.756 176.117 -0.062 0.000 1.082 329 I CA -0.099 61.190 61.300 -0.017 0.000 1.406 329 I CB 0.372 38.387 38.000 0.025 0.000 1.405 329 I HN 0.308 8.487 8.210 -0.053 0.000 0.548 330 M N 7.017 126.623 119.600 0.010 0.000 2.233 330 M HA -0.133 4.341 4.480 -0.010 0.000 0.307 330 M C -1.779 174.474 176.300 -0.079 0.000 1.026 330 M CA 0.127 55.426 55.300 -0.001 0.000 1.109 330 M CB -1.314 31.325 32.600 0.065 0.000 1.463 330 M HN 0.094 8.435 8.290 0.086 0.000 0.436 331 P HA 0.090 4.452 4.420 -0.098 0.000 0.276 331 P C -1.732 175.562 177.300 -0.010 0.000 1.261 331 P CA -0.477 62.586 63.100 -0.062 0.000 0.800 331 P CB 0.922 32.585 31.700 -0.061 0.000 1.066 332 N N -2.752 115.982 118.700 0.056 0.000 2.390 332 N HA 0.014 4.803 4.740 0.083 0.000 0.259 332 N C -1.319 174.276 175.510 0.142 0.000 1.395 332 N CA -0.300 52.816 53.050 0.109 0.000 0.852 332 N CB 0.800 39.381 38.487 0.157 0.000 1.371 332 N HN 0.063 8.494 8.380 0.085 0.000 0.491 333 I N 0.973 121.596 120.570 0.088 0.000 2.493 333 I HA 0.384 4.619 4.170 0.108 0.000 0.298 333 I C -0.990 175.121 176.117 -0.011 0.000 0.998 333 I CA -3.132 58.192 61.300 0.040 0.000 1.137 333 I CB 1.016 38.968 38.000 -0.079 0.000 1.310 333 I HN -0.651 7.585 8.210 0.045 0.000 0.445 334 P HA 0.013 4.466 4.420 0.055 0.000 0.222 334 P C 1.166 178.458 177.300 -0.014 0.000 1.153 334 P CA 1.371 64.484 63.100 0.022 0.000 0.798 334 P CB 0.794 32.518 31.700 0.040 0.000 0.796 335 Q N -1.316 118.420 119.800 -0.106 0.000 2.224 335 Q HA -0.195 4.122 4.340 -0.038 0.000 0.203 335 Q C 2.244 178.163 176.000 -0.136 0.000 0.970 335 Q CA 2.957 58.684 55.803 -0.126 0.000 0.865 335 Q CB -0.541 28.070 28.738 -0.211 0.000 0.922 335 Q HN 0.393 8.545 8.270 -0.150 0.027 0.445 336 M N -0.282 119.188 119.600 -0.217 0.000 2.279 336 M HA -0.259 4.105 4.480 -0.192 0.000 0.264 336 M C 1.434 177.811 176.300 0.129 0.000 1.062 336 M CA 2.375 57.596 55.300 -0.133 0.000 1.099 336 M CB -0.244 32.250 32.600 -0.176 0.000 1.394 336 M HN -0.534 7.580 8.290 -0.245 0.029 0.426 337 S N -0.377 115.431 115.700 0.181 0.000 2.442 337 S HA -0.268 4.554 4.470 0.587 0.000 0.236 337 S C 1.824 176.688 174.600 0.440 0.000 1.007 337 S CA 3.046 61.475 58.200 0.382 0.000 0.965 337 S CB -0.574 62.780 63.200 0.257 0.000 0.773 337 S HN -0.453 7.772 8.310 0.096 0.143 0.504 338 A N 1.763 124.764 122.820 0.302 0.000 2.015 338 A HA -0.160 4.369 4.320 0.348 0.000 0.219 338 A C 1.755 179.568 177.584 0.382 0.000 1.163 338 A CA 2.465 54.686 52.037 0.306 0.000 0.646 338 A CB -0.957 18.143 19.000 0.167 0.000 0.806 338 A HN -0.240 7.865 8.150 0.202 0.166 0.448 339 F N -0.488 119.610 119.950 0.247 0.000 2.250 339 F HA -0.323 4.332 4.527 0.213 0.000 0.301 339 F C 0.556 176.524 175.800 0.280 0.000 1.077 339 F CA 3.123 61.264 58.000 0.235 0.000 1.348 339 F CB 0.177 39.304 39.000 0.211 0.000 1.040 339 F HN -0.453 7.984 8.300 0.465 0.143 0.509 340 W N -2.119 119.429 121.300 0.414 0.000 2.331 340 W HA -0.494 4.381 4.660 0.357 0.000 0.291 340 W C 2.242 178.849 176.519 0.147 0.000 1.214 340 W CA 4.436 61.944 57.345 0.273 0.000 1.228 340 W CB -0.330 29.213 29.460 0.139 0.000 1.135 340 W HN -0.548 8.027 8.180 0.712 0.033 0.537 341 Y N -3.195 117.301 120.300 0.326 0.000 2.516 341 Y HA -0.396 4.263 4.550 0.181 0.000 0.291 341 Y C 1.385 177.331 175.900 0.076 0.000 1.131 341 Y CA 3.168 61.369 58.100 0.169 0.000 1.281 341 Y CB -0.286 38.240 38.460 0.110 0.000 1.013 341 Y HN -0.262 8.225 8.280 0.570 0.135 0.554 342 A N 0.374 123.284 122.820 0.151 0.000 1.861 342 A HA -0.078 4.222 4.320 -0.034 0.000 0.212 342 A C 1.552 179.137 177.584 0.003 0.000 1.199 342 A CA 2.170 54.171 52.037 -0.060 0.000 0.613 342 A CB 0.005 18.700 19.000 -0.509 0.000 0.846 342 A HN 0.210 8.274 8.150 0.201 0.207 0.446 343 V N -0.386 119.591 119.914 0.104 0.000 2.380 343 V HA -0.456 3.658 4.120 -0.011 0.000 0.251 343 V C 1.316 177.452 176.094 0.069 0.000 1.063 343 V CA 3.470 65.812 62.300 0.071 0.000 1.055 343 V CB -0.223 31.666 31.823 0.110 0.000 0.657 343 V HN -0.122 8.203 8.190 0.225 0.000 0.455 344 R N -2.840 117.725 120.500 0.108 0.000 2.090 344 R HA -0.182 4.210 4.340 0.087 0.000 0.228 344 R C 1.456 177.791 176.300 0.059 0.000 1.110 344 R CA 3.300 59.451 56.100 0.085 0.000 0.973 344 R CB -1.196 29.147 30.300 0.072 0.000 0.869 344 R HN -0.597 7.742 8.270 0.144 0.018 0.440 345 T N -3.492 111.099 114.554 0.061 0.000 3.014 345 T HA -0.058 4.474 4.350 0.047 -0.153 0.263 345 T C 1.504 176.216 174.700 0.019 0.000 1.078 345 T CA 1.954 64.082 62.100 0.046 0.000 1.135 345 T CB -0.690 68.214 68.868 0.060 0.000 0.895 345 T HN -0.779 7.426 8.240 0.077 0.081 0.480 346 A N 2.119 124.941 122.820 0.003 0.000 1.832 346 A HA -0.147 4.162 4.320 -0.018 0.000 0.214 346 A C 1.954 179.531 177.584 -0.012 0.000 1.204 346 A CA 2.678 54.704 52.037 -0.017 0.000 0.606 346 A CB -0.326 18.648 19.000 -0.044 0.000 0.849 346 A HN 0.024 8.066 8.150 0.009 0.113 0.445 347 V N -1.722 118.187 119.914 -0.008 0.000 2.300 347 V HA -0.415 3.700 4.120 -0.008 0.000 0.241 347 V C 1.967 178.069 176.094 0.014 0.000 1.034 347 V CA 3.723 66.022 62.300 -0.001 0.000 1.021 347 V CB 0.092 31.916 31.823 0.001 0.000 0.662 347 V HN -0.600 7.586 8.190 -0.007 0.000 0.458 348 I N -0.484 120.101 120.570 0.026 0.000 2.113 348 I HA -0.479 3.707 4.170 0.027 0.000 0.238 348 I C 2.307 178.437 176.117 0.022 0.000 1.070 348 I CA 2.562 63.880 61.300 0.029 0.000 1.332 348 I CB -1.431 36.592 38.000 0.038 0.000 1.044 348 I HN -0.719 7.510 8.210 0.031 0.000 0.402 349 N N -0.566 118.148 118.700 0.024 0.000 2.069 349 N HA -0.327 4.426 4.740 0.022 0.000 0.191 349 N C 2.860 178.378 175.510 0.013 0.000 1.031 349 N CA 3.794 56.856 53.050 0.021 0.000 0.852 349 N CB -0.067 38.435 38.487 0.025 0.000 1.018 349 N HN -0.270 8.127 8.380 0.028 0.000 0.423 350 A N -1.662 121.163 122.820 0.009 0.000 1.969 350 A HA -0.081 4.323 4.320 0.003 -0.083 0.218 350 A C 0.890 178.477 177.584 0.004 0.000 1.169 350 A CA 2.304 54.343 52.037 0.003 0.000 0.635 350 A CB -0.524 18.474 19.000 -0.003 0.000 0.810 350 A HN -0.530 7.626 8.150 0.009 0.000 0.445 351 A N -4.242 118.583 122.820 0.007 0.000 2.167 351 A HA -0.031 4.293 4.320 0.006 0.000 0.214 351 A C 0.635 178.224 177.584 0.010 0.000 1.151 351 A CA 1.328 53.371 52.037 0.009 0.000 0.735 351 A CB -0.421 18.587 19.000 0.013 0.000 0.802 351 A HN -0.247 7.790 8.150 0.010 0.119 0.467 352 S N -0.924 114.782 115.700 0.010 0.000 2.345 352 S HA -0.166 4.311 4.470 0.010 0.000 0.219 352 S C 1.300 175.905 174.600 0.007 0.000 1.031 352 S CA 2.038 60.243 58.200 0.010 0.000 0.984 352 S CB 0.653 63.860 63.200 0.012 0.000 0.874 352 S HN -0.621 7.510 8.310 0.011 0.186 0.451 353 G N -2.225 106.578 108.800 0.006 0.000 2.870 353 G HA2 -0.214 3.748 3.960 0.003 0.000 0.216 353 G HA3 -0.214 3.749 3.960 0.004 0.000 0.216 353 G C -0.543 174.359 174.900 0.003 0.000 0.973 353 G CA 0.015 45.117 45.100 0.004 0.000 0.807 353 G HN -0.543 7.750 8.290 0.006 0.000 0.573 354 R N 0.241 120.743 120.500 0.005 0.000 2.698 354 R HA 0.231 4.572 4.340 0.003 0.000 0.422 354 R C -1.850 174.453 176.300 0.005 0.000 1.073 354 R CA -0.218 55.885 56.100 0.004 0.000 1.054 354 R CB 0.890 31.193 30.300 0.006 0.000 1.373 354 R HN -0.130 8.143 8.270 0.006 0.000 0.593 355 Q N -1.216 118.586 119.800 0.003 0.000 2.275 355 Q HA 0.157 4.498 4.340 0.003 0.000 0.258 355 Q C -1.424 174.575 176.000 -0.001 0.000 0.960 355 Q CA -0.021 55.783 55.803 0.003 0.000 0.801 355 Q CB 3.181 31.923 28.738 0.006 0.000 1.302 355 Q HN -0.206 8.066 8.270 0.002 0.000 0.433 356 T N 2.838 117.390 114.554 -0.003 0.000 2.845 356 T HA 0.143 4.489 4.350 -0.007 0.000 0.288 356 T C 0.962 175.658 174.700 -0.008 0.000 0.980 356 T CA -2.366 59.730 62.100 -0.006 0.000 1.071 356 T CB 0.986 69.850 68.868 -0.006 0.000 0.941 356 T HN 0.297 8.536 8.240 -0.002 0.000 0.487 357 V N 5.389 125.296 119.914 -0.010 0.000 2.546 357 V HA -0.354 3.757 4.120 -0.014 0.000 0.254 357 V C 0.878 176.965 176.094 -0.011 0.000 1.076 357 V CA 2.691 64.984 62.300 -0.012 0.000 1.087 357 V CB -0.630 31.185 31.823 -0.013 0.000 0.674 357 V HN 0.623 8.806 8.190 -0.011 0.000 0.470 358 D N 1.528 121.923 120.400 -0.009 0.000 2.078 358 D HA -0.263 4.373 4.640 -0.006 0.000 0.193 358 D C 2.067 178.363 176.300 -0.008 0.000 0.990 358 D CA 4.100 58.096 54.000 -0.007 0.000 0.827 358 D CB -0.396 40.401 40.800 -0.006 0.000 0.975 358 D HN -0.653 7.676 8.370 -0.009 0.035 0.451 359 E N -2.333 117.862 120.200 -0.007 0.000 2.299 359 E HA -0.205 4.140 4.350 -0.008 0.000 0.193 359 E C 0.822 177.416 176.600 -0.010 0.000 0.998 359 E CA 1.830 58.226 56.400 -0.007 0.000 0.851 359 E CB 0.217 29.914 29.700 -0.005 0.000 0.795 359 E HN -0.401 7.955 8.360 -0.007 0.000 0.492 360 A N -1.436 121.378 122.820 -0.011 0.000 1.855 360 A HA -0.100 4.214 4.320 -0.009 0.000 0.213 360 A C 1.445 179.014 177.584 -0.026 0.000 1.195 360 A CA 2.598 54.627 52.037 -0.013 0.000 0.610 360 A CB 0.256 19.250 19.000 -0.010 0.000 0.837 360 A HN 0.251 8.267 8.150 -0.010 0.128 0.444 361 L N -2.728 118.478 121.223 -0.027 0.000 2.102 361 L HA -0.115 4.191 4.340 -0.057 0.000 0.202 361 L C 1.715 178.565 176.870 -0.033 0.000 1.076 361 L CA 2.295 57.112 54.840 -0.038 0.000 0.761 361 L CB -0.386 41.656 42.059 -0.028 0.000 0.921 361 L HN -0.269 7.829 8.230 -0.020 0.120 0.444 362 K N -0.326 120.063 120.400 -0.019 0.000 2.002 362 K HA -0.298 4.180 4.320 -0.009 -0.163 0.209 362 K C 2.503 179.092 176.600 -0.017 0.000 1.048 362 K CA 3.581 59.860 56.287 -0.013 0.000 0.930 362 K CB -0.437 32.059 32.500 -0.006 0.000 0.714 362 K HN -0.710 7.530 8.250 -0.016 0.000 0.438 363 D N -1.394 118.995 120.400 -0.017 0.000 2.218 363 D HA -0.172 4.459 4.640 -0.014 0.000 0.204 363 D C 1.796 178.079 176.300 -0.027 0.000 0.976 363 D CA 3.282 57.271 54.000 -0.018 0.000 0.853 363 D CB -0.367 40.425 40.800 -0.013 0.000 0.939 363 D HN -0.552 7.809 8.370 -0.016 0.000 0.481 364 A N -1.605 121.191 122.820 -0.040 0.000 1.972 364 A HA -0.226 4.064 4.320 -0.051 0.000 0.219 364 A C 1.748 179.286 177.584 -0.076 0.000 1.169 364 A CA 2.785 54.783 52.037 -0.065 0.000 0.635 364 A CB -0.775 18.168 19.000 -0.095 0.000 0.810 364 A HN -0.338 7.667 8.150 -0.038 0.122 0.446 365 Q N -1.274 118.491 119.800 -0.058 0.000 2.046 365 Q HA -0.283 4.025 4.340 -0.053 0.000 0.200 365 Q C 2.119 178.110 176.000 -0.015 0.000 0.975 365 Q CA 3.341 59.123 55.803 -0.035 0.000 0.836 365 Q CB -0.197 28.536 28.738 -0.009 0.000 0.896 365 Q HN -0.412 7.701 8.270 -0.047 0.129 0.428 366 T N 0.432 114.978 114.554 -0.014 0.000 2.915 366 T HA -0.298 4.050 4.350 -0.002 0.000 0.269 366 T C 2.028 176.722 174.700 -0.010 0.000 1.071 366 T CA 3.069 65.164 62.100 -0.008 0.000 1.132 366 T CB -0.259 68.604 68.868 -0.008 0.000 0.878 366 T HN -0.717 7.513 8.240 -0.017 0.000 0.479 367 R N 0.879 121.367 120.500 -0.020 0.000 2.073 367 R HA -0.127 4.377 4.340 -0.022 -0.177 0.229 367 R C 2.027 178.314 176.300 -0.022 0.000 1.120 367 R CA 2.227 58.312 56.100 -0.025 0.000 0.967 367 R CB -0.314 29.966 30.300 -0.034 0.000 0.862 367 R HN -0.547 7.594 8.270 -0.026 0.113 0.436 368 I N -2.395 118.164 120.570 -0.019 0.000 2.264 368 I HA -0.318 3.849 4.170 -0.004 0.000 0.248 368 I C 1.628 177.768 176.117 0.038 0.000 1.111 368 I CA 2.753 64.057 61.300 0.007 0.000 1.382 368 I CB 0.151 38.159 38.000 0.014 0.000 1.060 368 I HN -0.346 7.846 8.210 -0.031 0.000 0.418 369 T N -6.577 107.998 114.554 0.036 0.000 2.985 369 T HA -0.133 4.257 4.350 0.067 0.000 0.266 369 T C 0.659 175.372 174.700 0.022 0.000 1.076 369 T CA 1.269 63.394 62.100 0.041 0.000 1.135 369 T CB 0.709 69.594 68.868 0.028 0.000 0.890 369 T HN -0.477 7.767 8.240 0.022 0.009 0.480 370 K N 0.000 120.405 120.400 0.008 0.000 2.780 370 K HA 0.000 4.322 4.320 0.003 0.000 0.191 370 K CA 0.000 56.287 56.287 0.000 0.000 0.838 370 K CB 0.000 32.500 32.500 0.000 0.000 1.064 370 K HN 0.000 8.125 8.250 0.004 0.127 0.543