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 3n9r_1_K DATA FIRST_RESID 1 DATA SEQUENCE MLVKGNEILL KAHKEGYGVG AFNFVNFEML NAIFEAGNEE NSPLFIQASE DATA SEQUENCE GAIKYMGIDM AVGMVKIMCE RYPHIPVALH LDHGTTFESC EKAVKAGFTS DATA SEQUENCE VMIDASHHAF EENLELTSKV VKMAHNAGVS VEAELGRLMG IXXXXXXXXX DATA SEQUENCE XAVLVNPKEA EQFVKESQVD YLAPAIGTSH GAFKFKGEPK LDFERLQEVK DATA SEQUENCE RLTNIPLVLH GASAIPDNVR KSYLDAGGDL KGSKGVPFEF LQESVKGGIN DATA SEQUENCE KVNTDTDLRI AFIAEVRKVA NEDKSQFDLR KFFSPAQLAL KNVVKERMKL DATA SEQUENCE LGSANKI 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 M HA 0.000 4.509 4.480 0.048 0.000 0.227 1 M C 0.000 176.310 176.300 0.016 0.000 1.140 1 M CA 0.000 55.320 55.300 0.033 0.000 0.988 1 M CB 0.000 32.617 32.600 0.029 0.000 1.302 2 L N 2.953 124.184 121.223 0.013 0.000 2.361 2 L HA 0.527 5.064 4.340 -0.024 -0.212 0.278 2 L C -0.784 176.076 176.870 -0.018 0.000 1.113 2 L CA 0.215 55.048 54.840 -0.011 0.000 0.849 2 L CB -0.024 42.028 42.059 -0.012 0.000 1.155 2 L HN 0.041 8.281 8.230 0.018 0.000 0.452 3 V N 2.018 121.909 119.914 -0.039 0.000 3.130 3 V HA 0.606 4.723 4.120 -0.005 0.000 0.310 3 V C -1.948 174.129 176.094 -0.027 0.000 1.158 3 V CA -2.784 59.504 62.300 -0.021 0.000 1.029 3 V CB 4.233 36.050 31.823 -0.010 0.000 1.057 3 V HN 0.693 8.843 8.190 -0.067 0.000 0.436 4 K N -0.888 119.520 120.400 0.013 0.000 2.355 4 K HA -0.051 4.412 4.320 0.045 -0.116 0.270 4 K C 1.256 177.899 176.600 0.072 0.000 1.003 4 K CA 0.399 56.715 56.287 0.048 0.000 0.957 4 K CB 0.220 32.760 32.500 0.067 0.000 0.939 4 K HN 0.090 8.353 8.250 0.021 0.000 0.482 5 G N 2.740 111.632 108.800 0.153 0.000 2.469 5 G HA2 -0.404 3.541 3.960 -0.024 0.000 0.219 5 G HA3 -0.404 3.897 3.960 0.568 0.000 0.219 5 G C 0.968 176.098 174.900 0.383 0.000 1.150 5 G CA 2.265 47.539 45.100 0.289 0.000 0.763 5 G HN 0.401 8.804 8.290 0.189 0.000 0.561 6 N N 0.758 119.691 118.700 0.388 0.000 2.364 6 N HA -0.214 4.763 4.740 0.395 0.000 0.183 6 N C 2.058 177.664 175.510 0.160 0.000 1.022 6 N CA 2.439 55.681 53.050 0.320 0.000 0.883 6 N CB 0.016 38.652 38.487 0.249 0.000 0.965 6 N HN -0.382 8.195 8.380 0.353 0.015 0.438 7 E N -0.241 120.033 120.200 0.123 0.000 2.072 7 E HA -0.286 4.107 4.350 0.072 0.000 0.191 7 E C 2.337 178.986 176.600 0.083 0.000 0.985 7 E CA 2.845 59.293 56.400 0.080 0.000 0.801 7 E CB -0.065 29.669 29.700 0.056 0.000 0.750 7 E HN -0.477 7.932 8.360 0.124 0.026 0.452 8 I N -0.638 119.997 120.570 0.108 0.000 2.333 8 I HA -0.398 3.836 4.170 0.107 0.000 0.246 8 I C 1.561 177.723 176.117 0.075 0.000 1.106 8 I CA 3.602 64.978 61.300 0.127 0.000 1.411 8 I CB 0.314 38.434 38.000 0.201 0.000 1.082 8 I HN -0.807 7.477 8.210 0.123 0.000 0.420 9 L N -1.706 119.542 121.223 0.042 0.000 2.240 9 L HA -0.245 3.991 4.340 -0.173 0.000 0.211 9 L C 2.302 179.130 176.870 -0.069 0.000 1.106 9 L CA 2.371 57.135 54.840 -0.127 0.000 0.793 9 L CB -0.536 41.300 42.059 -0.371 0.000 0.927 9 L HN -0.480 7.810 8.230 0.099 0.000 0.446 10 L N -1.435 119.794 121.223 0.010 0.000 2.109 10 L HA -0.373 4.004 4.340 0.062 0.000 0.207 10 L C 1.849 178.743 176.870 0.040 0.000 1.086 10 L CA 3.016 57.886 54.840 0.049 0.000 0.760 10 L CB -0.565 41.532 42.059 0.063 0.000 0.910 10 L HN 0.076 8.329 8.230 0.038 0.000 0.437 11 K N -0.377 120.024 120.400 0.002 0.000 2.057 11 K HA -0.419 3.905 4.320 0.007 0.000 0.207 11 K C 1.837 178.304 176.600 -0.222 0.000 1.049 11 K CA 3.452 59.726 56.287 -0.021 0.000 0.931 11 K CB -0.196 32.341 32.500 0.062 0.000 0.714 11 K HN -0.809 7.451 8.250 0.018 0.000 0.440 12 A N -2.628 119.930 122.820 -0.438 0.000 1.933 12 A HA -0.249 2.847 4.320 -2.041 0.000 0.218 12 A C 2.119 179.392 177.584 -0.519 0.000 1.175 12 A CA 2.908 54.328 52.037 -1.028 0.000 0.628 12 A CB -0.931 17.586 19.000 -0.805 0.000 0.814 12 A HN -0.528 7.447 8.150 -0.290 0.000 0.444 13 H N 0.079 118.959 119.070 -0.316 0.000 2.353 13 H HA -0.270 4.180 4.556 -0.177 0.000 0.300 13 H C 1.823 177.070 175.328 -0.134 0.000 1.090 13 H CA 3.304 59.243 56.048 -0.181 0.000 1.327 13 H CB -0.019 29.679 29.762 -0.107 0.000 1.383 13 H HN -0.266 7.970 8.280 -0.074 0.000 0.508 14 K N -1.976 118.302 120.400 -0.204 0.000 2.097 14 K HA -0.174 3.979 4.320 -0.278 0.000 0.205 14 K C 1.792 178.297 176.600 -0.159 0.000 1.050 14 K CA 2.248 58.419 56.287 -0.193 0.000 0.938 14 K CB 0.286 32.757 32.500 -0.049 0.000 0.718 14 K HN -0.476 7.726 8.250 -0.081 0.000 0.442 15 E N -4.889 115.228 120.200 -0.139 0.000 2.472 15 E HA 0.033 4.380 4.350 -0.004 0.000 0.196 15 E C -0.268 176.321 176.600 -0.018 0.000 1.033 15 E CA -0.314 56.073 56.400 -0.022 0.000 0.886 15 E CB 0.729 30.526 29.700 0.162 0.000 0.944 15 E HN -0.639 7.601 8.360 -0.201 0.000 0.492 16 G N -0.123 108.593 108.800 -0.141 0.000 2.289 16 G HA2 -0.305 3.579 3.960 -0.127 0.000 0.280 16 G HA3 -0.305 3.623 3.960 -0.053 0.000 0.280 16 G C -0.947 173.962 174.900 0.014 0.000 1.089 16 G CA 0.659 45.707 45.100 -0.087 0.000 0.939 16 G HN -0.257 7.896 8.290 -0.229 0.000 0.499 17 Y N -4.887 115.393 120.300 -0.035 0.000 2.633 17 Y HA 0.467 4.998 4.550 -0.032 0.000 0.339 17 Y C -1.832 174.044 175.900 -0.040 0.000 1.045 17 Y CA -3.080 55.001 58.100 -0.033 0.000 1.098 17 Y CB 1.516 39.959 38.460 -0.029 0.000 1.296 17 Y HN -0.789 7.234 8.280 -0.428 0.000 0.494 18 G N -2.031 106.878 108.800 0.181 0.000 2.420 18 G HA2 0.477 4.540 3.960 -0.048 0.000 0.331 18 G HA3 0.477 4.447 3.960 0.018 0.000 0.331 18 G C -2.772 172.200 174.900 0.120 0.000 1.168 18 G CA -1.703 43.427 45.100 0.050 0.000 0.936 18 G HN 0.032 8.457 8.290 0.224 0.000 0.479 19 V N 1.096 120.999 119.914 -0.018 0.000 2.409 19 V HA 0.195 4.363 4.120 0.081 0.000 0.291 19 V C -0.617 175.367 176.094 -0.183 0.000 1.020 19 V CA -1.735 60.557 62.300 -0.013 0.000 0.848 19 V CB 2.436 34.256 31.823 -0.005 0.000 0.990 19 V HN 0.220 8.226 8.190 -0.121 0.111 0.430 20 G N 6.102 114.792 108.800 -0.183 0.000 2.380 20 G HA2 -0.044 3.711 3.960 -0.590 0.000 0.242 20 G HA3 -0.044 3.442 3.960 -0.790 0.000 0.242 20 G C -2.027 172.348 174.900 -0.874 0.000 1.298 20 G CA -0.037 44.675 45.100 -0.647 0.000 0.878 20 G HN 0.536 8.806 8.290 -0.033 0.000 0.542 21 A N 4.720 126.988 122.820 -0.920 0.000 2.293 21 A HA 0.732 5.084 4.320 -0.261 -0.189 0.312 21 A C -2.190 175.079 177.584 -0.525 0.000 1.309 21 A CA -1.805 49.927 52.037 -0.508 0.000 0.839 21 A CB 2.031 20.804 19.000 -0.379 0.000 1.155 21 A HN -0.027 7.608 8.150 -0.859 0.000 0.501 22 F N 2.932 122.925 119.950 0.071 0.000 2.444 22 F HA 0.662 5.433 4.527 0.051 -0.213 0.342 22 F C -0.104 175.779 175.800 0.138 0.000 1.121 22 F CA -2.182 55.858 58.000 0.067 0.000 0.997 22 F CB 2.261 41.276 39.000 0.026 0.000 1.130 22 F HN 0.213 8.560 8.300 0.078 0.000 0.454 23 N N 3.295 122.165 118.700 0.284 0.000 2.530 23 N HA 0.430 5.579 4.740 0.305 -0.226 0.273 23 N C -0.491 175.201 175.510 0.302 0.000 1.173 23 N CA 0.949 54.154 53.050 0.257 0.000 0.967 23 N CB 1.473 40.036 38.487 0.127 0.000 1.109 23 N HN -0.198 8.325 8.380 0.239 0.000 0.453 24 F N -1.659 118.329 119.950 0.064 0.000 2.588 24 F HA 0.494 5.000 4.527 -0.036 0.000 0.314 24 F C -1.685 174.113 175.800 -0.002 0.000 1.069 24 F CA -2.039 55.967 58.000 0.011 0.000 0.931 24 F CB 3.367 42.390 39.000 0.038 0.000 1.260 24 F HN -0.222 8.300 8.300 0.371 0.000 0.465 25 V N -6.506 113.298 119.914 -0.183 0.000 3.382 25 V HA 0.182 4.044 4.120 -0.430 0.000 0.296 25 V C -2.062 174.015 176.094 -0.028 0.000 1.529 25 V CA -0.301 61.830 62.300 -0.282 0.000 1.048 25 V CB 1.507 33.111 31.823 -0.364 0.000 0.878 25 V HN -0.435 7.721 8.190 -0.057 0.000 0.442 26 N N -4.498 114.279 118.700 0.127 0.000 3.308 26 N HA -0.025 4.885 4.740 0.283 0.000 0.276 26 N C -1.184 174.501 175.510 0.292 0.000 1.533 26 N CA -1.186 52.002 53.050 0.230 0.000 0.878 26 N CB 0.990 39.566 38.487 0.148 0.000 1.566 26 N HN -1.182 7.307 8.380 0.182 0.000 0.546 27 F N 0.355 120.388 119.950 0.139 0.000 2.134 27 F HA -0.198 4.401 4.527 0.119 0.000 0.299 27 F C 1.040 176.899 175.800 0.098 0.000 1.097 27 F CA 3.851 61.919 58.000 0.112 0.000 1.264 27 F CB 0.308 39.360 39.000 0.087 0.000 1.001 27 F HN 0.354 8.884 8.300 0.384 0.000 0.479 28 E N -1.168 118.940 120.200 -0.154 0.000 2.085 28 E HA -0.370 3.739 4.350 -0.403 0.000 0.194 28 E C 2.621 179.122 176.600 -0.165 0.000 0.994 28 E CA 4.017 60.296 56.400 -0.201 0.000 0.801 28 E CB -0.630 29.134 29.700 0.107 0.000 0.743 28 E HN 0.207 8.672 8.360 0.057 -0.070 0.453 29 M N -1.175 118.337 119.600 -0.147 0.000 2.086 29 M HA -0.364 4.068 4.480 -0.080 0.000 0.261 29 M C 2.257 178.527 176.300 -0.049 0.000 1.067 29 M CA 4.082 59.328 55.300 -0.090 0.000 1.116 29 M CB 0.049 32.608 32.600 -0.068 0.000 1.348 29 M HN -0.629 7.819 8.290 -0.157 -0.253 0.407 30 L N -0.808 120.386 121.223 -0.047 0.000 2.046 30 L HA -0.405 3.873 4.340 -0.102 0.000 0.208 30 L C 1.463 178.291 176.870 -0.071 0.000 1.077 30 L CA 3.559 58.334 54.840 -0.108 0.000 0.747 30 L CB -0.372 41.560 42.059 -0.213 0.000 0.896 30 L HN -0.501 7.729 8.230 -0.000 0.000 0.432 31 N N -1.215 117.310 118.700 -0.292 0.000 2.084 31 N HA -0.387 4.282 4.740 -0.117 0.000 0.190 31 N C 1.680 177.143 175.510 -0.078 0.000 1.030 31 N CA 3.085 55.987 53.050 -0.247 0.000 0.849 31 N CB -0.155 37.959 38.487 -0.623 0.000 1.012 31 N HN -0.131 7.954 8.380 -0.491 0.000 0.423 32 A N -0.471 122.289 122.820 -0.100 0.000 1.908 32 A HA -0.273 4.020 4.320 -0.044 0.000 0.218 32 A C 2.222 179.747 177.584 -0.099 0.000 1.181 32 A CA 2.959 54.961 52.037 -0.059 0.000 0.627 32 A CB -0.452 18.540 19.000 -0.013 0.000 0.818 32 A HN -0.650 7.419 8.150 -0.135 0.000 0.445 33 I N -1.732 118.773 120.570 -0.109 0.000 2.226 33 I HA -0.556 3.421 4.170 -0.322 0.000 0.245 33 I C 1.762 177.741 176.117 -0.230 0.000 1.100 33 I CA 4.325 65.497 61.300 -0.214 0.000 1.374 33 I CB -0.088 37.809 38.000 -0.170 0.000 1.057 33 I HN -0.567 7.597 8.210 -0.076 0.000 0.413 34 F N -0.403 119.405 119.950 -0.236 0.000 2.186 34 F HA -0.461 3.878 4.527 -0.313 0.000 0.299 34 F C 2.188 177.700 175.800 -0.480 0.000 1.090 34 F CA 4.761 62.567 58.000 -0.323 0.000 1.307 34 F CB -0.158 38.711 39.000 -0.219 0.000 1.019 34 F HN -0.470 7.952 8.300 0.204 0.000 0.489 35 E N -1.289 118.820 120.200 -0.152 0.000 2.106 35 E HA -0.478 3.703 4.350 -0.282 0.000 0.192 35 E C 1.900 178.392 176.600 -0.180 0.000 0.984 35 E CA 2.902 59.196 56.400 -0.177 0.000 0.806 35 E CB -0.298 29.382 29.700 -0.033 0.000 0.750 35 E HN -0.118 8.210 8.360 -0.052 0.000 0.458 36 A N -0.302 122.408 122.820 -0.184 0.000 1.877 36 A HA -0.255 3.977 4.320 -0.147 0.000 0.216 36 A C 1.870 179.335 177.584 -0.199 0.000 1.186 36 A CA 3.061 54.985 52.037 -0.188 0.000 0.620 36 A CB -0.731 18.123 19.000 -0.244 0.000 0.822 36 A HN -0.308 7.732 8.150 -0.182 0.000 0.443 37 G N -2.324 106.319 108.800 -0.262 0.000 2.422 37 G HA2 -0.426 3.420 3.960 -0.190 0.000 0.218 37 G HA3 -0.426 3.346 3.960 -0.313 0.000 0.218 37 G C 1.357 176.132 174.900 -0.208 0.000 1.146 37 G CA 1.788 46.739 45.100 -0.248 0.000 0.769 37 G HN -0.203 7.903 8.290 -0.307 0.000 0.547 38 N N 1.635 120.174 118.700 -0.268 0.000 2.142 38 N HA -0.202 4.515 4.740 -0.038 0.000 0.186 38 N C 2.540 178.033 175.510 -0.027 0.000 1.023 38 N CA 2.438 55.406 53.050 -0.137 0.000 0.852 38 N CB 0.257 38.577 38.487 -0.278 0.000 0.998 38 N HN -0.223 7.942 8.380 -0.359 0.000 0.424 39 E N -1.668 118.491 120.200 -0.069 0.000 2.285 39 E HA -0.106 4.239 4.350 -0.009 0.000 0.194 39 E C 1.125 177.701 176.600 -0.040 0.000 0.997 39 E CA 2.061 58.440 56.400 -0.036 0.000 0.845 39 E CB 0.433 30.107 29.700 -0.042 0.000 0.782 39 E HN -0.405 7.801 8.360 -0.110 0.088 0.491 40 E N -3.996 116.167 120.200 -0.061 0.000 2.501 40 E HA 0.201 4.520 4.350 -0.052 0.000 0.201 40 E C -1.199 175.369 176.600 -0.054 0.000 1.016 40 E CA -1.513 54.851 56.400 -0.060 0.000 0.920 40 E CB 0.559 30.214 29.700 -0.075 0.000 1.023 40 E HN -0.429 7.883 8.360 -0.080 0.000 0.474 41 N N -2.734 115.947 118.700 -0.032 0.000 2.738 41 N HA -0.478 4.281 4.740 0.033 0.000 0.249 41 N C -2.243 173.239 175.510 -0.047 0.000 1.047 41 N CA 1.213 54.257 53.050 -0.009 0.000 0.707 41 N CB -1.068 37.415 38.487 -0.007 0.000 0.937 41 N HN -0.182 8.184 8.380 -0.023 0.000 0.545 42 S N -1.372 114.285 115.700 -0.071 0.000 2.482 42 S HA 0.758 5.332 4.470 -0.083 -0.153 0.303 42 S C -2.221 172.334 174.600 -0.075 0.000 1.091 42 S CA -3.620 54.534 58.200 -0.076 0.000 1.057 42 S CB 2.429 65.590 63.200 -0.066 0.000 1.031 42 S HN -0.621 7.639 8.310 -0.084 0.000 0.485 43 P HA 0.058 4.558 4.420 -0.061 -0.117 0.271 43 P C -1.770 175.525 177.300 -0.008 0.000 1.233 43 P CA -0.299 62.790 63.100 -0.018 0.000 0.789 43 P CB 1.134 32.873 31.700 0.064 0.000 0.951 44 L N -2.756 118.440 121.223 -0.044 0.000 2.436 44 L HA 0.239 4.623 4.340 0.074 0.000 0.268 44 L C -1.372 175.513 176.870 0.025 0.000 0.974 44 L CA -0.854 53.968 54.840 -0.029 0.000 0.826 44 L CB 4.410 46.300 42.059 -0.281 0.000 1.291 44 L HN -0.288 7.898 8.230 -0.073 0.000 0.406 45 F N 3.004 122.903 119.950 -0.083 0.000 2.405 45 F HA 0.377 5.013 4.527 -0.054 -0.142 0.355 45 F C -1.144 174.648 175.800 -0.014 0.000 1.121 45 F CA -0.525 57.428 58.000 -0.078 0.000 1.112 45 F CB 2.388 41.290 39.000 -0.163 0.000 1.126 45 F HN -0.250 8.214 8.300 0.273 0.000 0.481 46 I N 5.105 125.722 120.570 0.079 0.000 2.377 46 I HA 0.539 4.983 4.170 0.207 -0.151 0.293 46 I C -2.372 173.926 176.117 0.301 0.000 0.987 46 I CA -2.765 58.625 61.300 0.150 0.000 1.185 46 I CB 3.371 41.361 38.000 -0.017 0.000 1.341 46 I HN 0.562 8.744 8.210 -0.047 0.000 0.455 47 Q N 8.017 128.067 119.800 0.416 0.000 2.342 47 Q HA 0.816 5.661 4.340 0.497 -0.207 0.267 47 Q C -1.709 174.546 176.000 0.427 0.000 1.038 47 Q CA -2.252 53.819 55.803 0.446 0.000 0.832 47 Q CB 4.036 32.987 28.738 0.355 0.000 1.323 47 Q HN 0.149 8.674 8.270 0.425 0.000 0.448 48 A N 3.172 126.218 122.820 0.377 0.000 2.319 48 A HA 0.694 5.012 4.320 -0.004 0.000 0.310 48 A C -1.160 176.505 177.584 0.136 0.000 1.152 48 A CA -1.579 50.559 52.037 0.169 0.000 0.783 48 A CB 2.711 21.850 19.000 0.231 0.000 1.184 48 A HN 0.356 8.780 8.150 0.456 0.000 0.474 49 S N 4.541 120.271 115.700 0.050 0.000 2.624 49 S HA 0.240 4.944 4.470 0.078 -0.187 0.263 49 S C 1.147 175.751 174.600 0.005 0.000 1.287 49 S CA -1.299 56.928 58.200 0.044 0.000 0.990 49 S CB 1.635 64.848 63.200 0.022 0.000 0.950 49 S HN 0.296 8.610 8.310 0.007 0.000 0.561 50 E N 0.947 121.148 120.200 0.000 0.000 2.110 50 E HA -0.384 3.943 4.350 -0.038 0.000 0.193 50 E C 2.611 179.203 176.600 -0.012 0.000 0.988 50 E CA 3.287 59.675 56.400 -0.020 0.000 0.804 50 E CB -0.259 29.431 29.700 -0.018 0.000 0.745 50 E HN 0.759 9.129 8.360 0.018 0.000 0.458 51 G N -1.303 107.488 108.800 -0.015 0.000 2.408 51 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.217 51 G HA3 -0.166 3.777 3.960 -0.028 0.000 0.217 51 G C 0.772 175.669 174.900 -0.004 0.000 1.150 51 G CA 1.263 46.355 45.100 -0.013 0.000 0.776 51 G HN 0.059 8.329 8.290 -0.018 0.008 0.542 52 A N 1.834 124.630 122.820 -0.041 0.000 1.930 52 A HA -0.281 3.996 4.320 -0.072 0.000 0.217 52 A C 1.672 179.253 177.584 -0.004 0.000 1.175 52 A CA 2.695 54.690 52.037 -0.069 0.000 0.627 52 A CB -0.346 18.549 19.000 -0.176 0.000 0.815 52 A HN -0.407 7.630 8.150 -0.048 0.084 0.443 53 I N -1.537 119.035 120.570 0.003 0.000 2.315 53 I HA -0.546 3.653 4.170 0.047 0.000 0.248 53 I C 1.604 177.745 176.117 0.040 0.000 1.117 53 I CA 3.925 65.246 61.300 0.035 0.000 1.404 53 I CB -0.214 37.803 38.000 0.028 0.000 1.071 53 I HN -0.256 7.951 8.210 -0.005 0.000 0.419 54 K N 0.117 120.540 120.400 0.038 0.000 2.097 54 K HA -0.365 3.968 4.320 0.022 0.000 0.206 54 K C 1.729 178.368 176.600 0.065 0.000 1.049 54 K CA 3.075 59.386 56.287 0.040 0.000 0.933 54 K CB -0.259 32.262 32.500 0.035 0.000 0.717 54 K HN -0.511 7.757 8.250 0.030 0.000 0.442 55 Y N -1.911 118.366 120.300 -0.039 0.000 2.145 55 Y HA -0.284 4.249 4.550 -0.028 0.000 0.286 55 Y C 1.240 177.123 175.900 -0.028 0.000 1.145 55 Y CA 2.673 60.750 58.100 -0.038 0.000 1.148 55 Y CB 0.606 39.030 38.460 -0.059 0.000 0.981 55 Y HN -0.559 7.763 8.280 0.202 0.079 0.507 56 M N -4.200 115.430 119.600 0.051 0.000 2.394 56 M HA -0.031 4.394 4.480 -0.092 0.000 0.266 56 M C 0.190 176.479 176.300 -0.018 0.000 1.098 56 M CA 1.643 56.937 55.300 -0.009 0.000 1.149 56 M CB 1.401 34.040 32.600 0.066 0.000 1.369 56 M HN -0.488 7.878 8.290 0.127 0.000 0.450 57 G N -1.685 107.119 108.800 0.007 0.000 3.019 57 G HA2 -0.216 3.770 3.960 0.017 0.000 0.686 57 G HA3 -0.216 3.835 3.960 0.010 -0.085 0.686 57 G C -1.073 173.866 174.900 0.064 0.000 1.056 57 G CA -0.630 44.482 45.100 0.021 0.000 0.774 57 G HN -0.340 7.960 8.290 0.016 0.000 0.583 58 I N 2.092 122.709 120.570 0.078 0.000 2.361 58 I HA -0.386 3.899 4.170 0.191 0.000 0.251 58 I C 0.223 176.432 176.117 0.153 0.000 1.133 58 I CA 2.438 63.825 61.300 0.145 0.000 1.413 58 I CB -0.071 38.002 38.000 0.122 0.000 1.073 58 I HN 0.397 8.641 8.210 0.056 0.000 0.424 59 D N -1.883 118.574 120.400 0.095 0.000 2.123 59 D HA -0.306 4.383 4.640 0.082 0.000 0.196 59 D C 1.968 178.313 176.300 0.076 0.000 0.992 59 D CA 3.068 57.114 54.000 0.076 0.000 0.833 59 D CB -1.251 39.577 40.800 0.046 0.000 0.954 59 D HN 0.347 8.751 8.370 0.073 0.011 0.455 60 M N 0.324 119.971 119.600 0.078 0.000 2.236 60 M HA -0.129 4.393 4.480 0.069 0.000 0.266 60 M C 1.347 177.734 176.300 0.144 0.000 1.070 60 M CA 1.759 57.110 55.300 0.086 0.000 1.137 60 M CB -0.320 32.320 32.600 0.066 0.000 1.378 60 M HN -0.721 7.612 8.290 0.072 0.000 0.426 61 A N 0.540 123.465 122.820 0.174 0.000 1.851 61 A HA -0.232 4.329 4.320 0.401 0.000 0.216 61 A C 2.102 179.815 177.584 0.215 0.000 1.195 61 A CA 3.049 55.255 52.037 0.281 0.000 0.622 61 A CB -0.780 18.368 19.000 0.247 0.000 0.831 61 A HN -0.356 7.885 8.150 0.151 0.000 0.444 62 V N -2.531 117.441 119.914 0.096 0.000 2.295 62 V HA -0.561 3.488 4.120 -0.118 0.000 0.246 62 V C 2.013 178.110 176.094 0.005 0.000 1.049 62 V CA 3.952 66.240 62.300 -0.019 0.000 1.024 62 V CB -0.323 31.500 31.823 0.000 0.000 0.648 62 V HN -0.440 7.829 8.190 0.131 0.000 0.447 63 G N -1.314 107.508 108.800 0.037 0.000 2.440 63 G HA2 -0.376 3.587 3.960 0.005 0.000 0.218 63 G HA3 -0.376 3.599 3.960 0.026 0.000 0.218 63 G C 1.177 176.080 174.900 0.006 0.000 1.154 63 G CA 2.165 47.276 45.100 0.018 0.000 0.767 63 G HN -0.387 7.938 8.290 0.057 0.000 0.552 64 M N 1.386 121.010 119.600 0.041 0.000 2.175 64 M HA -0.387 4.102 4.480 0.014 0.000 0.264 64 M C 2.070 178.326 176.300 -0.072 0.000 1.063 64 M CA 4.072 59.388 55.300 0.027 0.000 1.119 64 M CB 0.130 32.809 32.600 0.133 0.000 1.377 64 M HN -0.273 8.065 8.290 0.081 0.000 0.415 65 V N 0.230 120.096 119.914 -0.081 0.000 2.427 65 V HA -0.577 3.406 4.120 -0.228 0.000 0.248 65 V C 1.649 177.671 176.094 -0.121 0.000 1.051 65 V CA 4.523 66.736 62.300 -0.145 0.000 1.048 65 V CB -0.541 31.211 31.823 -0.118 0.000 0.666 65 V HN -0.585 7.590 8.190 -0.026 0.000 0.456 66 K N -0.109 120.245 120.400 -0.078 0.000 2.097 66 K HA -0.316 3.975 4.320 -0.048 0.000 0.206 66 K C 2.578 179.128 176.600 -0.083 0.000 1.049 66 K CA 3.491 59.742 56.287 -0.060 0.000 0.933 66 K CB -0.237 32.240 32.500 -0.038 0.000 0.717 66 K HN -0.414 7.798 8.250 -0.062 0.000 0.442 67 I N 0.425 120.936 120.570 -0.097 0.000 2.226 67 I HA -0.512 3.605 4.170 -0.088 0.000 0.245 67 I C 2.040 178.050 176.117 -0.179 0.000 1.100 67 I CA 3.793 65.028 61.300 -0.109 0.000 1.374 67 I CB -0.009 37.940 38.000 -0.085 0.000 1.057 67 I HN -0.515 7.644 8.210 -0.086 0.000 0.413 68 M N -0.981 118.435 119.600 -0.307 0.000 2.159 68 M HA -0.386 3.842 4.480 -0.419 0.000 0.263 68 M C 2.334 178.387 176.300 -0.412 0.000 1.063 68 M CA 2.009 56.963 55.300 -0.577 0.000 1.110 68 M CB -1.461 30.340 32.600 -1.332 0.000 1.374 68 M HN -0.410 7.697 8.290 -0.304 0.000 0.411 69 C N -0.610 118.570 119.300 -0.201 0.000 2.440 69 C HA -0.381 4.211 4.460 0.220 0.000 0.278 69 C C 1.709 176.713 174.990 0.022 0.000 1.295 69 C CA 4.581 63.630 59.018 0.052 0.000 1.738 69 C CB -0.998 26.782 27.740 0.066 0.000 1.987 69 C HN 0.014 8.121 8.230 -0.205 0.000 0.492 70 E N -1.322 118.853 120.200 -0.042 0.000 2.150 70 E HA -0.324 4.018 4.350 -0.014 0.000 0.193 70 E C 1.786 178.340 176.600 -0.077 0.000 0.985 70 E CA 2.440 58.815 56.400 -0.042 0.000 0.814 70 E CB -0.381 29.287 29.700 -0.053 0.000 0.752 70 E HN -0.616 7.703 8.360 -0.068 0.000 0.466 71 R N -1.729 118.677 120.500 -0.156 0.000 2.115 71 R HA -0.149 4.027 4.340 -0.273 0.000 0.226 71 R C 0.465 176.509 176.300 -0.427 0.000 1.100 71 R CA 2.167 58.070 56.100 -0.329 0.000 0.980 71 R CB 0.972 30.998 30.300 -0.456 0.000 0.875 71 R HN -0.760 7.297 8.270 -0.162 0.116 0.445 72 Y N -3.334 116.990 120.300 0.041 0.000 2.562 72 Y HA 0.463 5.112 4.550 0.165 0.000 0.363 72 Y C -1.856 174.050 175.900 0.010 0.000 0.991 72 Y CA -3.166 54.980 58.100 0.077 0.000 1.121 72 Y CB -0.320 38.193 38.460 0.088 0.000 1.159 72 Y HN -0.534 7.697 8.280 0.070 0.091 0.651 73 P HA 0.001 4.595 4.420 0.095 -0.117 0.222 73 P C -0.372 177.002 177.300 0.123 0.000 1.147 73 P CA 1.156 64.333 63.100 0.128 0.000 0.790 73 P CB 0.395 32.163 31.700 0.114 0.000 0.780 74 H N -5.595 113.541 119.070 0.109 0.000 2.547 74 H HA -0.054 4.539 4.556 0.061 0.000 0.272 74 H C -0.299 175.071 175.328 0.071 0.000 0.989 74 H CA -0.066 56.030 56.048 0.079 0.000 1.214 74 H CB -0.585 29.220 29.762 0.072 0.000 1.389 74 H HN -0.372 8.132 8.280 0.422 0.029 0.577 75 I N 2.633 122.984 120.570 -0.365 0.000 2.312 75 I HA 0.122 4.164 4.170 -0.214 0.000 0.291 75 I C -2.266 173.790 176.117 -0.100 0.000 1.031 75 I CA -2.391 58.755 61.300 -0.257 0.000 1.293 75 I CB 0.164 37.974 38.000 -0.317 0.000 1.403 75 I HN -0.784 7.150 8.210 -0.386 0.044 0.484 76 P HA 0.026 4.574 4.420 -0.024 -0.142 0.271 76 P C -1.491 175.758 177.300 -0.084 0.000 1.220 76 P CA -0.403 62.673 63.100 -0.039 0.000 0.768 76 P CB 0.515 32.213 31.700 -0.004 0.000 0.848 77 V N 3.995 123.853 119.914 -0.092 0.000 2.686 77 V HA 0.675 4.893 4.120 -0.196 -0.216 0.306 77 V C -2.049 173.923 176.094 -0.203 0.000 1.065 77 V CA -1.796 60.412 62.300 -0.154 0.000 0.894 77 V CB 4.441 36.212 31.823 -0.086 0.000 1.004 77 V HN 0.356 8.507 8.190 -0.065 0.000 0.424 78 A N 6.321 128.904 122.820 -0.394 0.000 2.337 78 A HA 0.776 5.038 4.320 -0.309 -0.128 0.329 78 A C -2.730 174.619 177.584 -0.393 0.000 1.146 78 A CA -2.448 49.285 52.037 -0.507 0.000 0.800 78 A CB 3.561 21.936 19.000 -1.041 0.000 1.220 78 A HN 0.475 8.343 8.150 -0.470 0.000 0.472 79 L N 3.765 124.864 121.223 -0.207 0.000 2.287 79 L HA 0.701 5.161 4.340 -0.082 -0.169 0.287 79 L C -1.813 175.120 176.870 0.105 0.000 1.022 79 L CA -1.337 53.424 54.840 -0.131 0.000 0.814 79 L CB 2.416 44.286 42.059 -0.316 0.000 1.217 79 L HN -0.203 7.925 8.230 -0.170 0.000 0.420 80 H N 8.530 127.726 119.070 0.209 0.000 2.609 80 H HA 0.527 5.567 4.556 0.423 -0.230 0.344 80 H C -1.936 173.716 175.328 0.539 0.000 1.040 80 H CA -2.160 54.135 56.048 0.411 0.000 1.216 80 H CB 3.770 33.792 29.762 0.433 0.000 1.529 80 H HN 0.719 9.217 8.280 0.364 0.000 0.519 81 L N 8.386 129.593 121.223 -0.026 0.000 2.385 81 L HA 0.322 4.825 4.340 0.017 -0.153 0.281 81 L C -1.900 174.756 176.870 -0.357 0.000 1.106 81 L CA -0.664 54.051 54.840 -0.207 0.000 0.856 81 L CB 0.883 42.671 42.059 -0.452 0.000 1.186 81 L HN 0.054 8.236 8.230 -0.080 0.000 0.453 82 D N 8.424 128.810 120.400 -0.023 0.000 2.264 82 D HA 0.186 4.893 4.640 0.112 0.000 0.250 82 D C -0.092 176.270 176.300 0.103 0.000 1.113 82 D CA -1.070 52.989 54.000 0.098 0.000 0.871 82 D CB 0.910 41.848 40.800 0.231 0.000 1.167 82 D HN -0.108 8.311 8.370 0.082 0.000 0.447 83 H N 2.420 121.569 119.070 0.132 0.000 2.592 83 H HA -0.426 4.194 4.556 0.108 0.000 0.323 83 H C -0.637 174.699 175.328 0.014 0.000 1.117 83 H CA 1.262 57.362 56.048 0.087 0.000 1.120 83 H CB -2.725 27.087 29.762 0.082 0.000 1.561 83 H HN 0.079 8.265 8.280 -0.157 0.000 0.409 84 G N -2.877 105.941 108.800 0.030 0.000 2.398 84 G HA2 0.023 4.140 3.960 -0.029 0.000 0.246 84 G HA3 0.023 4.025 3.960 -0.068 -0.082 0.246 84 G C -0.820 174.098 174.900 0.030 0.000 1.289 84 G CA -0.000 45.089 45.100 -0.018 0.000 0.869 84 G HN -0.522 7.758 8.290 -0.018 0.000 0.543 85 T N -0.950 113.624 114.554 0.034 0.000 3.010 85 T HA 0.311 4.717 4.350 0.094 0.000 0.257 85 T C 0.404 175.146 174.700 0.070 0.000 1.020 85 T CA -0.919 61.226 62.100 0.074 0.000 0.938 85 T CB 1.615 70.537 68.868 0.089 0.000 1.049 85 T HN 0.139 8.666 8.240 0.013 -0.279 0.522 86 T N -2.713 111.865 114.554 0.040 0.000 2.864 86 T HA 0.269 4.676 4.350 0.096 0.000 0.299 86 T C -0.406 174.332 174.700 0.062 0.000 1.166 86 T CA -2.167 59.975 62.100 0.070 0.000 1.007 86 T CB 2.798 71.707 68.868 0.068 0.000 1.219 86 T HN -0.902 7.344 8.240 0.010 0.000 0.506 87 F N 3.068 123.001 119.950 -0.028 0.000 2.126 87 F HA -0.369 4.127 4.527 -0.050 0.000 0.299 87 F C 0.825 176.600 175.800 -0.042 0.000 1.096 87 F CA 4.070 62.046 58.000 -0.040 0.000 1.255 87 F CB 0.173 39.152 39.000 -0.036 0.000 0.997 87 F HN 0.561 9.026 8.300 0.275 0.000 0.479 88 E N -0.967 119.214 120.200 -0.032 0.000 2.150 88 E HA -0.323 3.893 4.350 -0.224 0.000 0.193 88 E C 2.710 179.199 176.600 -0.186 0.000 0.985 88 E CA 3.282 59.607 56.400 -0.125 0.000 0.814 88 E CB -0.764 28.948 29.700 0.021 0.000 0.752 88 E HN 0.406 8.846 8.360 0.133 0.000 0.466 89 S N 0.104 115.719 115.700 -0.142 0.000 2.368 89 S HA -0.247 4.136 4.470 -0.144 0.000 0.224 89 S C 1.904 176.360 174.600 -0.241 0.000 1.029 89 S CA 3.016 61.121 58.200 -0.158 0.000 0.988 89 S CB -0.068 63.066 63.200 -0.110 0.000 0.838 89 S HN -0.381 7.861 8.310 -0.094 0.012 0.462 90 C N 1.370 120.507 119.300 -0.271 0.000 2.446 90 C HA -0.359 3.928 4.460 -0.288 0.000 0.277 90 C C 1.245 176.026 174.990 -0.349 0.000 1.275 90 C CA 4.429 63.265 59.018 -0.303 0.000 1.727 90 C CB -0.408 27.173 27.740 -0.264 0.000 2.010 90 C HN -0.493 7.587 8.230 -0.250 0.000 0.486 91 E N 1.395 121.307 120.200 -0.481 0.000 2.085 91 E HA -0.364 3.751 4.350 -0.392 0.000 0.194 91 E C 2.158 178.616 176.600 -0.236 0.000 0.994 91 E CA 3.116 59.263 56.400 -0.421 0.000 0.801 91 E CB -0.236 29.140 29.700 -0.540 0.000 0.743 91 E HN -0.065 7.939 8.360 -0.593 0.000 0.453 92 K N -1.632 118.639 120.400 -0.215 0.000 2.097 92 K HA -0.285 3.972 4.320 -0.104 0.000 0.205 92 K C 2.375 178.887 176.600 -0.147 0.000 1.050 92 K CA 2.893 59.093 56.287 -0.144 0.000 0.938 92 K CB -0.146 32.277 32.500 -0.128 0.000 0.718 92 K HN -0.435 7.672 8.250 -0.238 0.000 0.442 93 A N -0.513 122.147 122.820 -0.267 0.000 1.898 93 A HA -0.172 3.909 4.320 -0.398 0.000 0.216 93 A C 2.030 179.576 177.584 -0.063 0.000 1.181 93 A CA 2.939 54.738 52.037 -0.398 0.000 0.620 93 A CB -0.784 17.691 19.000 -0.874 0.000 0.819 93 A HN -0.610 7.358 8.150 -0.304 0.000 0.442 94 V N -0.611 119.256 119.914 -0.078 0.000 2.287 94 V HA -0.547 3.612 4.120 0.065 0.000 0.248 94 V C 2.653 178.769 176.094 0.036 0.000 1.053 94 V CA 3.904 66.208 62.300 0.007 0.000 1.027 94 V CB -0.219 31.579 31.823 -0.042 0.000 0.646 94 V HN -0.237 7.865 8.190 -0.147 0.000 0.447 95 K N -0.088 120.312 120.400 -0.001 0.000 2.097 95 K HA -0.295 4.036 4.320 0.018 0.000 0.206 95 K C 1.079 177.713 176.600 0.056 0.000 1.049 95 K CA 2.680 58.977 56.287 0.017 0.000 0.933 95 K CB -0.021 32.475 32.500 -0.007 0.000 0.717 95 K HN -0.301 7.925 8.250 -0.040 0.000 0.442 96 A N -4.003 118.875 122.820 0.096 0.000 2.119 96 A HA 0.040 4.420 4.320 0.101 0.000 0.216 96 A C 0.288 177.973 177.584 0.168 0.000 1.152 96 A CA 0.917 53.041 52.037 0.145 0.000 0.708 96 A CB 0.800 19.926 19.000 0.211 0.000 0.805 96 A HN -0.528 7.562 8.150 0.091 0.114 0.460 97 G N -3.330 105.586 108.800 0.194 0.000 2.164 97 G HA2 -0.175 3.845 3.960 0.101 0.000 0.154 97 G HA3 -0.175 3.835 3.960 0.083 0.000 0.154 97 G C -0.431 174.552 174.900 0.139 0.000 1.014 97 G CA -0.544 44.633 45.100 0.129 0.000 0.683 97 G HN -0.624 7.766 8.290 0.211 0.026 0.500 98 F N 0.528 120.492 119.950 0.024 0.000 2.553 98 F HA -0.146 4.408 4.527 0.045 0.000 0.356 98 F C 0.738 176.556 175.800 0.029 0.000 1.142 98 F CA 1.221 59.240 58.000 0.032 0.000 1.322 98 F CB 0.952 39.964 39.000 0.019 0.000 1.126 98 F HN -0.656 8.026 8.300 0.637 0.000 0.599 99 T N -3.280 111.373 114.554 0.164 0.000 3.044 99 T HA 0.114 4.534 4.350 0.116 0.000 0.260 99 T C -0.204 174.603 174.700 0.177 0.000 1.019 99 T CA -0.382 61.788 62.100 0.116 0.000 0.921 99 T CB 0.900 69.785 68.868 0.027 0.000 1.053 99 T HN 0.267 8.579 8.240 0.120 0.000 0.533 100 S N 0.615 116.478 115.700 0.271 0.000 2.533 100 S HA 0.769 5.625 4.470 0.322 -0.193 0.271 100 S C -2.256 172.498 174.600 0.256 0.000 1.143 100 S CA -0.773 57.657 58.200 0.384 0.000 0.891 100 S CB 2.090 65.711 63.200 0.701 0.000 1.105 100 S HN -0.624 7.872 8.310 0.310 0.000 0.468 101 V N -0.812 119.172 119.914 0.116 0.000 2.925 101 V HA 0.490 4.425 4.120 -0.307 0.000 0.311 101 V C -2.651 173.396 176.094 -0.078 0.000 1.104 101 V CA -2.428 59.797 62.300 -0.126 0.000 0.954 101 V CB 3.906 35.651 31.823 -0.130 0.000 1.022 101 V HN 0.492 8.768 8.190 0.144 0.000 0.427 102 M N 4.579 124.072 119.600 -0.178 0.000 2.180 102 M HA 0.601 5.326 4.480 0.080 -0.197 0.350 102 M C -1.990 174.288 176.300 -0.037 0.000 1.125 102 M CA -1.132 54.169 55.300 0.002 0.000 1.031 102 M CB 2.928 35.578 32.600 0.083 0.000 1.623 102 M HN 0.190 8.278 8.290 -0.337 0.000 0.451 103 I N 7.477 128.039 120.570 -0.014 0.000 2.307 103 I HA 0.272 4.571 4.170 -0.021 -0.142 0.289 103 I C -2.695 173.417 176.117 -0.009 0.000 1.021 103 I CA -1.725 59.566 61.300 -0.016 0.000 1.224 103 I CB 2.101 40.092 38.000 -0.016 0.000 1.376 103 I HN 0.414 8.623 8.210 -0.001 0.000 0.470 104 D N 9.770 130.175 120.400 0.009 0.000 2.443 104 D HA 0.161 4.798 4.640 -0.006 0.000 0.221 104 D C -1.735 174.541 176.300 -0.040 0.000 1.097 104 D CA -1.193 52.824 54.000 0.028 0.000 0.865 104 D CB 1.465 42.372 40.800 0.179 0.000 1.034 104 D HN 0.210 8.597 8.370 0.028 0.000 0.511 105 A N 6.336 129.038 122.820 -0.197 0.000 2.705 105 A HA 0.432 4.290 4.320 -0.770 0.000 0.294 105 A C 0.385 177.717 177.584 -0.419 0.000 1.039 105 A CA -0.914 50.758 52.037 -0.607 0.000 1.005 105 A CB -0.143 18.380 19.000 -0.795 0.000 1.192 105 A HN 0.298 8.352 8.150 -0.159 0.000 0.513 106 S N 1.149 116.782 115.700 -0.112 0.000 2.419 106 S HA -0.284 4.124 4.470 -0.104 0.000 0.233 106 S C 0.429 175.056 174.600 0.045 0.000 1.016 106 S CA 2.479 60.655 58.200 -0.040 0.000 0.974 106 S CB 0.383 63.587 63.200 0.007 0.000 0.786 106 S HN -0.487 8.104 8.310 -0.008 -0.285 0.492 107 H N -2.880 116.247 119.070 0.095 0.000 2.539 107 H HA 0.140 4.748 4.556 0.086 0.000 0.267 107 H C -0.421 175.044 175.328 0.229 0.000 0.982 107 H CA -0.705 55.429 56.048 0.143 0.000 1.146 107 H CB -0.398 29.441 29.762 0.128 0.000 1.382 107 H HN 0.044 8.369 8.280 0.127 0.031 0.577 108 H N 1.693 120.563 119.070 -0.333 0.000 2.546 108 H HA -0.036 4.428 4.556 -0.153 0.000 0.365 108 H C -0.751 174.543 175.328 -0.056 0.000 1.220 108 H CA -0.280 55.651 56.048 -0.194 0.000 1.386 108 H CB 1.271 30.901 29.762 -0.220 0.000 1.510 108 H HN -0.793 7.283 8.280 -0.084 0.154 0.591 109 A N -0.019 122.866 122.820 0.108 0.000 2.507 109 A HA -0.152 4.239 4.320 0.119 0.000 0.235 109 A C -0.109 177.561 177.584 0.144 0.000 1.070 109 A CA -0.012 52.094 52.037 0.115 0.000 0.768 109 A CB 0.957 20.010 19.000 0.088 0.000 1.011 109 A HN -0.152 8.252 8.150 0.076 -0.209 0.502 110 F N 2.824 122.802 119.950 0.047 0.000 2.087 110 F HA -0.516 4.050 4.527 0.066 0.000 0.299 110 F C 1.202 177.062 175.800 0.101 0.000 1.100 110 F CA 4.379 62.421 58.000 0.070 0.000 1.226 110 F CB 0.126 39.161 39.000 0.059 0.000 0.983 110 F HN 0.614 9.103 8.300 0.315 0.000 0.479 111 E N -3.669 116.584 120.200 0.088 0.000 2.150 111 E HA -0.405 3.850 4.350 -0.159 0.000 0.193 111 E C 2.340 178.889 176.600 -0.086 0.000 0.985 111 E CA 3.691 60.070 56.400 -0.035 0.000 0.814 111 E CB -0.920 28.833 29.700 0.088 0.000 0.752 111 E HN 0.639 9.140 8.360 0.234 0.000 0.466 112 E N -0.265 119.923 120.200 -0.020 0.000 2.112 112 E HA -0.306 4.038 4.350 -0.011 0.000 0.190 112 E C 2.006 178.589 176.600 -0.028 0.000 0.979 112 E CA 2.713 59.115 56.400 0.005 0.000 0.814 112 E CB -0.204 29.543 29.700 0.078 0.000 0.762 112 E HN -0.522 7.835 8.360 0.020 0.016 0.460 113 N N 0.341 119.010 118.700 -0.053 0.000 2.069 113 N HA -0.255 4.396 4.740 -0.149 0.000 0.191 113 N C 1.920 177.418 175.510 -0.020 0.000 1.031 113 N CA 2.936 55.943 53.050 -0.072 0.000 0.852 113 N CB -0.071 38.383 38.487 -0.056 0.000 1.018 113 N HN -0.291 8.069 8.380 -0.034 0.000 0.423 114 L N -0.378 120.753 121.223 -0.154 0.000 2.017 114 L HA -0.291 3.714 4.340 -0.559 0.000 0.208 114 L C 1.203 177.888 176.870 -0.308 0.000 1.073 114 L CA 3.455 58.062 54.840 -0.388 0.000 0.745 114 L CB -0.263 41.444 42.059 -0.586 0.000 0.894 114 L HN -0.067 8.005 8.230 -0.264 0.000 0.432 115 E N -0.648 119.430 120.200 -0.203 0.000 2.051 115 E HA -0.391 3.858 4.350 -0.168 0.000 0.192 115 E C 2.363 178.881 176.600 -0.137 0.000 0.991 115 E CA 3.211 59.518 56.400 -0.154 0.000 0.799 115 E CB 0.007 29.643 29.700 -0.106 0.000 0.748 115 E HN -0.579 7.672 8.360 -0.181 0.000 0.449 116 L N -1.185 119.974 121.223 -0.105 0.000 2.056 116 L HA -0.253 4.041 4.340 -0.077 0.000 0.207 116 L C 1.789 178.619 176.870 -0.067 0.000 1.078 116 L CA 3.053 57.848 54.840 -0.075 0.000 0.749 116 L CB -0.122 41.904 42.059 -0.054 0.000 0.901 116 L HN -0.420 7.753 8.230 -0.095 0.000 0.433 117 T N 2.295 116.794 114.554 -0.092 0.000 2.720 117 T HA -0.492 3.830 4.350 -0.047 0.000 0.268 117 T C 1.862 176.465 174.700 -0.160 0.000 1.037 117 T CA 5.539 67.582 62.100 -0.096 0.000 1.144 117 T CB -0.285 68.538 68.868 -0.075 0.000 0.864 117 T HN 0.078 8.260 8.240 -0.097 0.000 0.444 118 S N 1.034 116.603 115.700 -0.219 0.000 2.399 118 S HA -0.226 4.100 4.470 -0.240 0.000 0.231 118 S C 1.492 176.005 174.600 -0.144 0.000 1.022 118 S CA 3.301 61.373 58.200 -0.212 0.000 0.983 118 S CB -0.562 62.507 63.200 -0.218 0.000 0.803 118 S HN -0.206 7.960 8.310 -0.241 0.000 0.480 119 K N 2.593 122.925 120.400 -0.115 0.000 2.057 119 K HA -0.225 4.029 4.320 -0.110 0.000 0.206 119 K C 2.245 178.891 176.600 0.076 0.000 1.050 119 K CA 3.140 59.372 56.287 -0.092 0.000 0.935 119 K CB -0.123 32.255 32.500 -0.203 0.000 0.715 119 K HN -0.710 7.366 8.250 -0.122 0.101 0.439 120 V N -0.048 119.939 119.914 0.122 0.000 2.358 120 V HA -0.513 3.791 4.120 0.305 0.000 0.246 120 V C 1.619 177.702 176.094 -0.019 0.000 1.047 120 V CA 4.318 66.706 62.300 0.146 0.000 1.035 120 V CB 0.107 31.966 31.823 0.061 0.000 0.658 120 V HN -0.395 7.832 8.190 0.063 0.000 0.452 121 V N -0.037 119.793 119.914 -0.140 0.000 2.407 121 V HA -0.554 3.326 4.120 -0.400 0.000 0.248 121 V C 1.587 177.495 176.094 -0.309 0.000 1.055 121 V CA 4.784 66.872 62.300 -0.353 0.000 1.049 121 V CB -0.501 31.051 31.823 -0.452 0.000 0.662 121 V HN 0.057 8.165 8.190 -0.137 0.000 0.455 122 K N -0.515 119.801 120.400 -0.141 0.000 2.026 122 K HA -0.379 3.902 4.320 -0.064 0.000 0.208 122 K C 2.133 178.744 176.600 0.018 0.000 1.048 122 K CA 3.527 59.781 56.287 -0.055 0.000 0.929 122 K CB -0.173 32.308 32.500 -0.033 0.000 0.713 122 K HN -0.509 7.674 8.250 -0.112 0.000 0.439 123 M N -0.784 118.857 119.600 0.068 0.000 2.099 123 M HA -0.261 4.279 4.480 0.100 0.000 0.262 123 M C 1.938 178.268 176.300 0.050 0.000 1.067 123 M CA 2.708 58.066 55.300 0.097 0.000 1.124 123 M CB -0.263 32.451 32.600 0.190 0.000 1.353 123 M HN -0.796 7.552 8.290 0.097 0.000 0.410 124 A N -1.477 121.357 122.820 0.023 0.000 1.898 124 A HA -0.355 3.988 4.320 0.038 0.000 0.216 124 A C 1.890 179.572 177.584 0.164 0.000 1.181 124 A CA 2.814 54.884 52.037 0.055 0.000 0.620 124 A CB -0.452 18.566 19.000 0.029 0.000 0.819 124 A HN 0.107 8.253 8.150 -0.007 0.000 0.442 125 H N -1.106 117.968 119.070 0.005 0.000 2.389 125 H HA -0.227 4.334 4.556 0.008 0.000 0.299 125 H C 3.224 178.559 175.328 0.012 0.000 1.081 125 H CA 2.132 58.184 56.048 0.006 0.000 1.345 125 H CB 0.130 29.891 29.762 -0.002 0.000 1.393 125 H HN 0.053 8.409 8.280 0.125 0.000 0.520 126 N N 0.872 119.658 118.700 0.143 0.000 2.272 126 N HA -0.239 4.546 4.740 0.074 0.000 0.185 126 N C 0.297 175.845 175.510 0.063 0.000 1.014 126 N CA 2.263 55.362 53.050 0.082 0.000 0.870 126 N CB 0.114 38.640 38.487 0.065 0.000 0.975 126 N HN -0.233 8.228 8.380 0.136 0.000 0.433 127 A N -3.778 119.082 122.820 0.068 0.000 2.387 127 A HA 0.269 4.615 4.320 0.043 0.000 0.234 127 A C 0.052 177.667 177.584 0.052 0.000 1.253 127 A CA -0.678 51.390 52.037 0.052 0.000 0.894 127 A CB 0.350 19.377 19.000 0.044 0.000 0.963 127 A HN -0.675 7.379 8.150 0.082 0.145 0.508 128 G N -1.029 107.803 108.800 0.053 0.000 2.198 128 G HA2 -0.292 3.674 3.960 0.010 0.000 0.257 128 G HA3 -0.292 3.685 3.960 0.028 0.000 0.257 128 G C -0.669 174.264 174.900 0.055 0.000 1.042 128 G CA 0.224 45.344 45.100 0.034 0.000 0.791 128 G HN -0.527 7.637 8.290 0.062 0.163 0.502 129 V N -0.641 119.329 119.914 0.093 0.000 2.555 129 V HA 0.117 4.303 4.120 0.110 0.000 0.302 129 V C -1.121 175.072 176.094 0.165 0.000 1.038 129 V CA -1.508 60.863 62.300 0.118 0.000 0.887 129 V CB 2.926 34.812 31.823 0.106 0.000 0.991 129 V HN -0.179 8.079 8.190 0.113 0.000 0.434 130 S N 5.021 120.819 115.700 0.165 0.000 2.632 130 S HA 0.264 4.966 4.470 0.161 -0.135 0.271 130 S C -0.988 173.640 174.600 0.047 0.000 1.260 130 S CA -0.744 57.542 58.200 0.144 0.000 1.010 130 S CB 1.127 64.472 63.200 0.241 0.000 0.965 130 S HN -0.257 8.159 8.310 0.177 0.000 0.534 131 V N 0.452 120.276 119.914 -0.149 0.000 2.709 131 V HA 0.664 4.944 4.120 -0.080 -0.208 0.308 131 V C -1.843 174.010 176.094 -0.401 0.000 1.062 131 V CA -1.745 60.447 62.300 -0.180 0.000 0.901 131 V CB 4.110 35.855 31.823 -0.130 0.000 1.003 131 V HN 0.479 8.855 8.190 -0.199 -0.305 0.425 132 E N 5.804 125.911 120.200 -0.155 0.000 2.212 132 E HA 0.950 5.456 4.350 -0.128 -0.232 0.268 132 E C -2.113 174.519 176.600 0.054 0.000 0.902 132 E CA -3.017 53.371 56.400 -0.020 0.000 0.779 132 E CB 4.213 34.104 29.700 0.317 0.000 1.172 132 E HN 0.275 8.628 8.360 -0.012 0.000 0.409 133 A N 2.943 125.811 122.820 0.081 0.000 2.524 133 A HA 0.854 5.382 4.320 0.046 -0.180 0.286 133 A C -2.537 175.036 177.584 -0.020 0.000 1.203 133 A CA -1.971 50.109 52.037 0.072 0.000 0.736 133 A CB 4.372 23.513 19.000 0.235 0.000 1.322 133 A HN -0.059 8.147 8.150 0.092 0.000 0.424 134 E N -1.004 119.119 120.200 -0.127 0.000 2.293 134 E HA 0.764 5.187 4.350 -0.159 -0.168 0.270 134 E C -1.799 174.627 176.600 -0.290 0.000 0.879 134 E CA -1.609 54.681 56.400 -0.184 0.000 0.756 134 E CB 3.788 33.393 29.700 -0.159 0.000 1.208 134 E HN 0.259 8.540 8.360 -0.131 0.000 0.428 135 L N 2.921 123.993 121.223 -0.253 0.000 2.401 135 L HA 0.317 4.519 4.340 -0.229 0.000 0.266 135 L C -1.796 175.003 176.870 -0.119 0.000 0.991 135 L CA -1.020 53.683 54.840 -0.228 0.000 0.818 135 L CB 3.635 45.527 42.059 -0.278 0.000 1.321 135 L HN 0.022 8.132 8.230 -0.200 0.000 0.413 136 G N 0.212 108.968 108.800 -0.073 0.000 2.712 136 G HA2 -0.345 3.682 3.960 -0.030 0.000 0.683 136 G HA3 -0.345 3.583 3.960 -0.053 0.000 0.683 136 G C -2.008 172.870 174.900 -0.037 0.000 1.320 136 G CA -0.557 44.516 45.100 -0.046 0.000 0.847 136 G HN 0.056 8.310 8.290 -0.060 0.000 0.553 137 R N -0.118 120.365 120.500 -0.029 0.000 2.295 137 R HA 0.252 4.582 4.340 -0.018 0.000 0.324 137 R C -0.832 175.438 176.300 -0.051 0.000 0.968 137 R CA -1.255 54.830 56.100 -0.025 0.000 0.837 137 R CB 1.515 31.810 30.300 -0.007 0.000 1.133 137 R HN 0.037 8.290 8.270 -0.028 0.000 0.450 138 L N 8.475 129.652 121.223 -0.077 0.000 2.536 138 L HA -0.081 4.192 4.340 -0.112 0.000 0.282 138 L C -1.144 175.662 176.870 -0.106 0.000 1.174 138 L CA 0.520 55.287 54.840 -0.121 0.000 0.989 138 L CB -0.804 41.124 42.059 -0.218 0.000 1.311 138 L HN 0.444 8.630 8.230 -0.073 0.000 0.455 139 M N 3.675 123.227 119.600 -0.079 0.000 2.773 139 M HA 0.187 4.615 4.480 -0.087 0.000 0.270 139 M C -1.052 175.220 176.300 -0.046 0.000 1.238 139 M CA -1.679 53.581 55.300 -0.067 0.000 0.832 139 M CB 4.730 37.305 32.600 -0.041 0.000 1.672 139 M HN -0.639 7.610 8.290 -0.068 0.000 0.480 140 G N -0.926 107.854 108.800 -0.034 0.000 2.594 140 G HA2 -0.055 4.121 3.960 0.060 0.000 0.243 140 G HA3 -0.055 3.938 3.960 0.055 0.000 0.243 140 G C -0.185 174.745 174.900 0.050 0.000 1.229 140 G CA -0.525 44.595 45.100 0.035 0.000 0.843 140 G HN 0.087 8.349 8.290 -0.045 0.000 0.578 153 V N 0.615 120.522 119.914 -0.012 0.000 2.403 153 V HA 0.044 4.161 4.120 -0.005 0.000 0.239 153 V C 0.177 176.261 176.094 -0.018 0.000 1.041 153 V CA -0.047 62.247 62.300 -0.010 0.000 1.051 153 V CB 0.565 32.383 31.823 -0.010 0.000 0.704 153 V HN -0.008 8.174 8.190 -0.013 0.000 0.472 154 L N -3.414 117.795 121.223 -0.024 0.000 2.475 154 L HA -0.093 4.225 4.340 -0.035 0.000 0.250 154 L C 0.642 177.491 176.870 -0.034 0.000 1.224 154 L CA -0.821 54.000 54.840 -0.032 0.000 0.821 154 L CB 0.135 42.172 42.059 -0.036 0.000 1.141 154 L HN -0.651 7.566 8.230 -0.022 0.000 0.494 155 V N -0.136 119.753 119.914 -0.041 0.000 2.788 155 V HA -0.268 3.825 4.120 -0.046 0.000 0.307 155 V C -1.758 174.314 176.094 -0.036 0.000 1.069 155 V CA 0.692 62.966 62.300 -0.043 0.000 1.173 155 V CB 1.265 33.061 31.823 -0.045 0.000 0.925 155 V HN -0.179 7.984 8.190 -0.044 0.000 0.492 156 N N 8.548 127.225 118.700 -0.040 0.000 2.439 156 N HA 0.317 5.033 4.740 -0.040 0.000 0.249 156 N C -1.258 174.230 175.510 -0.037 0.000 1.003 156 N CA -3.658 49.364 53.050 -0.045 0.000 0.942 156 N CB 0.196 38.641 38.487 -0.070 0.000 1.115 156 N HN 0.385 8.740 8.380 -0.041 0.000 0.505 157 P HA -0.241 4.179 4.420 0.001 0.000 0.218 157 P C 0.822 178.120 177.300 -0.003 0.000 1.148 157 P CA 1.994 65.090 63.100 -0.007 0.000 0.822 157 P CB 0.418 32.116 31.700 -0.003 0.000 0.784 158 K N -4.557 115.828 120.400 -0.025 0.000 2.155 158 K HA -0.130 4.185 4.320 -0.007 0.000 0.203 158 K C 2.378 178.950 176.600 -0.048 0.000 1.052 158 K CA 1.466 57.735 56.287 -0.030 0.000 0.948 158 K CB -0.889 31.582 32.500 -0.049 0.000 0.728 158 K HN -0.428 7.966 8.250 -0.036 -0.165 0.448 159 E N 0.243 120.381 120.200 -0.104 0.000 2.051 159 E HA -0.341 3.813 4.350 -0.327 0.000 0.192 159 E C 2.136 178.832 176.600 0.160 0.000 0.991 159 E CA 3.147 59.458 56.400 -0.148 0.000 0.799 159 E CB -0.165 29.394 29.700 -0.235 0.000 0.748 159 E HN -0.737 7.735 8.360 -0.112 -0.179 0.449 160 A N -1.109 121.772 122.820 0.103 0.000 1.902 160 A HA -0.305 4.113 4.320 0.164 0.000 0.217 160 A C 1.765 179.464 177.584 0.191 0.000 1.181 160 A CA 3.343 55.463 52.037 0.139 0.000 0.623 160 A CB -1.003 18.029 19.000 0.054 0.000 0.818 160 A HN -0.128 7.968 8.150 0.040 0.077 0.443 161 E N -0.993 119.281 120.200 0.124 0.000 2.051 161 E HA -0.458 3.954 4.350 0.102 0.000 0.192 161 E C 1.935 178.621 176.600 0.143 0.000 0.991 161 E CA 3.165 59.630 56.400 0.108 0.000 0.799 161 E CB -0.180 29.558 29.700 0.063 0.000 0.748 161 E HN -0.378 8.033 8.360 0.086 0.000 0.449 162 Q N -0.754 119.150 119.800 0.174 0.000 2.119 162 Q HA -0.251 4.171 4.340 0.136 0.000 0.201 162 Q C 2.140 178.304 176.000 0.273 0.000 0.972 162 Q CA 2.879 58.804 55.803 0.203 0.000 0.847 162 Q CB 0.006 28.871 28.738 0.212 0.000 0.903 162 Q HN -0.760 7.604 8.270 0.157 0.000 0.433 163 F N 0.810 120.906 119.950 0.243 0.000 2.102 163 F HA -0.350 4.231 4.527 0.090 0.000 0.298 163 F C 1.474 177.300 175.800 0.044 0.000 1.105 163 F CA 3.842 61.929 58.000 0.144 0.000 1.239 163 F CB 0.317 39.425 39.000 0.181 0.000 0.991 163 F HN -0.027 8.619 8.300 0.577 0.000 0.474 164 V N -0.309 119.773 119.914 0.281 0.000 2.358 164 V HA -0.593 3.613 4.120 0.143 0.000 0.246 164 V C 2.106 178.217 176.094 0.029 0.000 1.047 164 V CA 3.907 66.297 62.300 0.149 0.000 1.035 164 V CB -0.053 31.868 31.823 0.163 0.000 0.658 164 V HN -0.148 8.246 8.190 0.341 0.000 0.452 165 K N -0.351 120.075 120.400 0.044 0.000 2.057 165 K HA -0.319 4.010 4.320 0.016 0.000 0.207 165 K C 2.109 178.692 176.600 -0.028 0.000 1.049 165 K CA 3.242 59.539 56.287 0.016 0.000 0.931 165 K CB -0.162 32.359 32.500 0.035 0.000 0.714 165 K HN -0.708 7.590 8.250 0.080 0.000 0.440 166 E N -2.249 117.914 120.200 -0.062 0.000 2.230 166 E HA -0.133 4.175 4.350 -0.069 0.000 0.192 166 E C 1.586 178.076 176.600 -0.183 0.000 0.987 166 E CA 1.941 58.279 56.400 -0.103 0.000 0.841 166 E CB 0.440 30.085 29.700 -0.092 0.000 0.783 166 E HN -0.408 7.921 8.360 -0.052 0.000 0.481 167 S N -1.770 113.757 115.700 -0.290 0.000 2.458 167 S HA -0.020 4.253 4.470 -0.327 0.000 0.223 167 S C 0.382 174.850 174.600 -0.221 0.000 1.019 167 S CA 1.281 59.269 58.200 -0.353 0.000 0.937 167 S CB 1.970 64.781 63.200 -0.648 0.000 0.788 167 S HN -0.542 7.581 8.310 -0.312 0.000 0.511 168 Q N -3.611 116.110 119.800 -0.133 0.000 2.494 168 Q HA -0.466 3.869 4.340 -0.007 0.000 0.266 168 Q C -1.039 174.945 176.000 -0.028 0.000 1.053 168 Q CA 1.032 56.811 55.803 -0.040 0.000 1.029 168 Q CB -2.981 25.762 28.738 0.008 0.000 1.423 168 Q HN -0.395 7.801 8.270 -0.123 0.000 0.516 169 V N -1.971 117.895 119.914 -0.080 0.000 2.872 169 V HA -0.318 3.734 4.120 -0.114 0.000 0.307 169 V C -0.417 175.670 176.094 -0.011 0.000 1.072 169 V CA 0.886 63.148 62.300 -0.063 0.000 1.148 169 V CB 0.541 32.363 31.823 -0.001 0.000 0.954 169 V HN -0.627 7.461 8.190 -0.115 0.033 0.490 170 D N 7.552 127.899 120.400 -0.089 0.000 2.183 170 D HA -0.079 4.584 4.640 0.039 0.000 0.205 170 D C -0.088 176.230 176.300 0.031 0.000 0.962 170 D CA 2.587 56.544 54.000 -0.072 0.000 0.849 170 D CB 1.294 41.991 40.800 -0.172 0.000 0.978 170 D HN -0.157 8.110 8.370 -0.171 0.000 0.488 171 Y N -6.973 113.369 120.300 0.069 0.000 2.588 171 Y HA 0.421 5.082 4.550 0.004 -0.109 0.343 171 Y C -1.962 173.971 175.900 0.055 0.000 1.065 171 Y CA -2.201 55.916 58.100 0.028 0.000 1.038 171 Y CB 2.652 41.103 38.460 -0.015 0.000 1.297 171 Y HN -0.558 7.463 8.280 -0.432 0.000 0.467 172 L N 0.694 122.031 121.223 0.191 0.000 2.381 172 L HA 0.684 5.240 4.340 0.107 -0.152 0.268 172 L C -2.099 174.823 176.870 0.085 0.000 0.997 172 L CA -2.010 52.897 54.840 0.112 0.000 0.818 172 L CB 4.901 47.009 42.059 0.083 0.000 1.310 172 L HN -0.237 8.101 8.230 0.180 0.000 0.416 173 A N 3.973 126.821 122.820 0.047 0.000 2.322 173 A HA 0.839 5.398 4.320 0.081 -0.191 0.327 173 A C -2.912 174.654 177.584 -0.030 0.000 1.394 173 A CA -3.948 48.116 52.037 0.044 0.000 0.921 173 A CB 0.462 19.494 19.000 0.053 0.000 1.153 173 A HN 0.632 8.793 8.150 0.017 0.000 0.523 174 P HA 0.420 4.939 4.420 -0.062 -0.135 0.297 174 P C -1.518 175.760 177.300 -0.036 0.000 1.319 174 P CA -1.560 61.518 63.100 -0.037 0.000 0.810 174 P CB 1.163 32.853 31.700 -0.016 0.000 0.947 175 A N 3.813 126.599 122.820 -0.056 0.000 2.484 175 A HA 0.068 4.356 4.320 -0.055 0.000 0.268 175 A C -0.539 177.013 177.584 -0.052 0.000 1.114 175 A CA -0.044 51.959 52.037 -0.056 0.000 0.780 175 A CB 0.523 19.485 19.000 -0.062 0.000 1.061 175 A HN -0.085 8.026 8.150 -0.066 0.000 0.505 176 I N -2.741 117.795 120.570 -0.057 0.000 4.102 176 I HA 0.314 4.436 4.170 -0.080 0.000 0.325 176 I C -0.396 175.666 176.117 -0.092 0.000 1.471 176 I CA -1.359 59.889 61.300 -0.086 0.000 1.133 176 I CB 0.579 38.507 38.000 -0.119 0.000 1.184 176 I HN 0.262 8.442 8.210 -0.050 0.000 0.451 177 G N -0.921 107.852 108.800 -0.045 0.000 2.273 177 G HA2 -0.299 3.834 3.960 0.003 0.000 0.162 177 G HA3 -0.299 3.674 3.960 0.023 0.000 0.162 177 G C -0.596 174.327 174.900 0.039 0.000 1.006 177 G CA -0.295 44.810 45.100 0.007 0.000 0.704 177 G HN 0.158 8.421 8.290 -0.046 0.000 0.487 178 T N -2.910 111.639 114.554 -0.009 0.000 2.788 178 T HA -0.020 4.264 4.350 -0.111 0.000 0.280 178 T C -1.735 172.870 174.700 -0.159 0.000 0.984 178 T CA -1.473 60.584 62.100 -0.071 0.000 0.972 178 T CB 1.503 70.363 68.868 -0.014 0.000 1.039 178 T HN -0.567 7.664 8.240 -0.016 0.000 0.530 179 S N -1.410 114.160 115.700 -0.216 0.000 2.588 179 S HA 0.324 4.625 4.470 -0.282 0.000 0.269 179 S C -1.499 173.006 174.600 -0.159 0.000 1.157 179 S CA -1.360 56.704 58.200 -0.226 0.000 0.824 179 S CB 2.482 65.573 63.200 -0.181 0.000 1.126 179 S HN 0.061 8.233 8.310 -0.230 0.000 0.464 180 H N 1.823 120.879 119.070 -0.022 0.000 2.629 180 H HA 0.086 4.648 4.556 0.010 0.000 0.357 180 H C 0.819 176.137 175.328 -0.017 0.000 1.121 180 H CA 1.288 57.333 56.048 -0.005 0.000 1.406 180 H CB 0.492 30.253 29.762 -0.002 0.000 1.456 180 H HN 0.351 8.535 8.280 -0.159 0.000 0.579 181 G N 0.635 109.509 108.800 0.124 0.000 2.685 181 G HA2 -0.266 3.716 3.960 0.036 0.000 0.387 181 G HA3 -0.266 3.759 3.960 0.107 0.000 0.387 181 G C -1.207 173.659 174.900 -0.057 0.000 1.324 181 G CA -0.650 44.484 45.100 0.057 0.000 0.878 181 G HN 0.110 8.479 8.290 0.132 0.000 0.527 182 A N -1.102 121.605 122.820 -0.189 0.000 2.251 182 A HA 0.088 4.187 4.320 -0.370 0.000 0.209 182 A C -1.105 175.987 177.584 -0.821 0.000 1.187 182 A CA 1.025 52.728 52.037 -0.557 0.000 0.823 182 A CB 0.619 19.154 19.000 -0.776 0.000 0.846 182 A HN 0.122 8.213 8.150 -0.098 0.000 0.486 183 F N -4.977 114.934 119.950 -0.065 0.000 2.471 183 F HA 0.236 4.735 4.527 -0.047 0.000 0.318 183 F C -0.171 175.547 175.800 -0.137 0.000 1.308 183 F CA -0.839 57.121 58.000 -0.067 0.000 1.162 183 F CB -1.072 37.903 39.000 -0.042 0.000 1.383 183 F HN -0.473 7.781 8.300 0.021 0.059 0.552 184 K N -1.034 119.260 120.400 -0.177 0.000 2.243 184 K HA 0.026 4.110 4.320 -0.393 0.000 0.201 184 K C -1.076 175.106 176.600 -0.697 0.000 1.051 184 K CA 1.480 57.447 56.287 -0.533 0.000 0.970 184 K CB 1.343 33.314 32.500 -0.883 0.000 0.755 184 K HN -0.349 7.786 8.250 -0.191 0.000 0.465 185 F N -3.360 116.613 119.950 0.038 0.000 2.573 185 F HA 0.110 4.655 4.527 0.030 0.000 0.316 185 F C -1.049 174.774 175.800 0.038 0.000 1.148 185 F CA -1.435 56.582 58.000 0.028 0.000 0.940 185 F CB 2.315 41.317 39.000 0.004 0.000 1.214 185 F HN -0.647 7.664 8.300 0.018 0.000 0.448 186 K N 4.967 125.495 120.400 0.212 0.000 2.248 186 K HA 0.156 4.554 4.320 0.131 0.000 0.281 186 K C 0.548 177.223 176.600 0.124 0.000 1.054 186 K CA -0.145 56.226 56.287 0.139 0.000 0.903 186 K CB 0.341 32.897 32.500 0.092 0.000 1.077 186 K HN 0.251 8.617 8.250 0.193 0.000 0.474 187 G N 5.191 114.043 108.800 0.087 0.000 2.642 187 G HA2 -0.264 3.714 3.960 0.031 0.000 0.231 187 G HA3 -0.264 3.722 3.960 0.044 0.000 0.231 187 G C -1.127 173.782 174.900 0.014 0.000 1.338 187 G CA -0.585 44.542 45.100 0.046 0.000 0.883 187 G HN 0.125 8.464 8.290 0.082 0.000 0.570 188 E N 2.372 122.552 120.200 -0.032 0.000 2.344 188 E HA 0.167 4.435 4.350 -0.136 0.000 0.270 188 E C -1.854 174.591 176.600 -0.258 0.000 1.021 188 E CA -1.647 54.684 56.400 -0.115 0.000 0.887 188 E CB 0.093 29.752 29.700 -0.068 0.000 0.997 188 E HN 0.079 8.430 8.360 -0.016 0.000 0.429 189 P HA -0.090 3.002 4.420 -2.214 0.000 0.264 189 P C -1.603 175.462 177.300 -0.392 0.000 1.183 189 P CA 0.677 63.053 63.100 -1.208 0.000 0.763 189 P CB 0.472 31.403 31.700 -1.283 0.000 0.807 190 K N 2.555 122.792 120.400 -0.271 0.000 2.535 190 K HA 0.235 4.667 4.320 0.187 0.000 0.251 190 K C -2.026 174.592 176.600 0.030 0.000 0.942 190 K CA -0.467 55.852 56.287 0.053 0.000 0.798 190 K CB 2.584 35.096 32.500 0.020 0.000 1.267 190 K HN 0.093 8.056 8.250 -0.478 0.000 0.434 191 L N 2.179 123.277 121.223 -0.208 0.000 2.333 191 L HA 0.391 4.691 4.340 -0.238 -0.102 0.263 191 L C -0.970 175.503 176.870 -0.662 0.000 1.014 191 L CA -1.563 52.983 54.840 -0.489 0.000 0.820 191 L CB 3.261 44.809 42.059 -0.853 0.000 1.352 191 L HN 0.067 8.121 8.230 -0.294 0.000 0.421 192 D N 1.712 121.820 120.400 -0.487 0.000 2.524 192 D HA 0.164 4.667 4.640 -0.230 0.000 0.222 192 D C 0.224 176.348 176.300 -0.293 0.000 1.142 192 D CA -1.661 52.163 54.000 -0.294 0.000 0.973 192 D CB -0.780 39.932 40.800 -0.146 0.000 1.025 192 D HN 0.076 8.204 8.370 -0.402 0.000 0.519 193 F N 3.012 122.915 119.950 -0.078 0.000 2.325 193 F HA -0.226 4.262 4.527 -0.065 0.000 0.299 193 F C 1.532 177.302 175.800 -0.051 0.000 1.090 193 F CA 2.640 60.594 58.000 -0.077 0.000 1.392 193 F CB 0.127 39.055 39.000 -0.121 0.000 1.053 193 F HN -0.434 7.733 8.300 -0.222 0.000 0.521 194 E N -0.999 119.261 120.200 0.100 0.000 2.072 194 E HA -0.347 4.040 4.350 0.062 0.000 0.191 194 E C 2.309 178.928 176.600 0.031 0.000 0.985 194 E CA 3.014 59.447 56.400 0.054 0.000 0.801 194 E CB -0.772 28.946 29.700 0.030 0.000 0.750 194 E HN -0.207 8.276 8.360 0.075 -0.078 0.452 195 R N -0.585 119.918 120.500 0.006 0.000 2.075 195 R HA -0.249 4.089 4.340 -0.003 0.000 0.232 195 R C 2.328 178.632 176.300 0.007 0.000 1.126 195 R CA 2.877 58.974 56.100 -0.006 0.000 0.963 195 R CB -0.072 30.210 30.300 -0.030 0.000 0.858 195 R HN -0.615 7.908 8.270 -0.009 -0.258 0.435 196 L N -0.807 120.426 121.223 0.017 0.000 2.012 196 L HA -0.351 4.004 4.340 0.025 0.000 0.210 196 L C 1.642 178.544 176.870 0.053 0.000 1.073 196 L CA 3.222 58.087 54.840 0.041 0.000 0.748 196 L CB -0.319 41.791 42.059 0.085 0.000 0.891 196 L HN -0.539 7.698 8.230 0.010 0.000 0.431 197 Q N -2.145 117.692 119.800 0.061 0.000 2.170 197 Q HA -0.356 4.013 4.340 0.049 0.000 0.203 197 Q C 2.751 178.772 176.000 0.035 0.000 0.976 197 Q CA 3.085 58.917 55.803 0.048 0.000 0.858 197 Q CB -0.184 28.580 28.738 0.043 0.000 0.907 197 Q HN -0.279 8.034 8.270 0.072 0.000 0.433 198 E N 0.427 120.645 120.200 0.029 0.000 2.072 198 E HA -0.218 4.145 4.350 0.022 0.000 0.190 198 E C 2.266 178.882 176.600 0.026 0.000 0.982 198 E CA 2.525 58.938 56.400 0.022 0.000 0.803 198 E CB -0.366 29.343 29.700 0.014 0.000 0.755 198 E HN -0.633 7.744 8.360 0.028 0.000 0.453 199 V N 0.163 120.092 119.914 0.025 0.000 2.343 199 V HA -0.541 3.596 4.120 0.029 0.000 0.247 199 V C 2.156 178.275 176.094 0.042 0.000 1.051 199 V CA 4.351 66.669 62.300 0.030 0.000 1.036 199 V CB -0.227 31.609 31.823 0.023 0.000 0.654 199 V HN -0.306 7.897 8.190 0.023 0.000 0.451 200 K N -0.048 120.380 120.400 0.047 0.000 2.057 200 K HA -0.245 4.114 4.320 0.066 0.000 0.207 200 K C 1.785 178.423 176.600 0.063 0.000 1.049 200 K CA 2.495 58.819 56.287 0.061 0.000 0.931 200 K CB -0.480 32.058 32.500 0.064 0.000 0.714 200 K HN -0.270 8.007 8.250 0.044 0.000 0.440 201 R N -0.673 119.856 120.500 0.049 0.000 2.091 201 R HA -0.228 4.140 4.340 0.047 0.000 0.238 201 R C 2.133 178.460 176.300 0.045 0.000 1.136 201 R CA 2.950 59.076 56.100 0.043 0.000 0.959 201 R CB -0.195 30.123 30.300 0.031 0.000 0.856 201 R HN -0.585 7.710 8.270 0.042 0.000 0.437 202 L N -5.183 116.065 121.223 0.042 0.000 2.313 202 L HA -0.035 4.328 4.340 0.038 0.000 0.214 202 L C 1.465 178.366 176.870 0.051 0.000 1.119 202 L CA 1.921 56.786 54.840 0.042 0.000 0.809 202 L CB 0.443 42.525 42.059 0.037 0.000 0.933 202 L HN -0.509 7.745 8.230 0.040 0.000 0.449 203 T N -7.107 107.481 114.554 0.056 0.000 3.034 203 T HA -0.056 4.332 4.350 0.062 0.000 0.248 203 T C 0.908 175.635 174.700 0.046 0.000 1.040 203 T CA 0.065 62.200 62.100 0.058 0.000 1.107 203 T CB 1.525 70.432 68.868 0.065 0.000 0.932 203 T HN -0.451 7.822 8.240 0.056 0.000 0.474 204 N N 1.996 120.732 118.700 0.061 0.000 2.716 204 N HA -0.435 4.453 4.740 0.155 -0.054 0.250 204 N C -1.569 173.909 175.510 -0.053 0.000 1.033 204 N CA 1.462 54.561 53.050 0.083 0.000 0.727 204 N CB -1.578 36.964 38.487 0.091 0.000 0.950 204 N HN -0.092 8.330 8.380 0.070 0.000 0.541 205 I N -9.242 111.262 120.570 -0.112 0.000 3.145 205 I HA 0.650 4.534 4.170 -0.477 0.000 0.313 205 I C -2.274 173.691 176.117 -0.253 0.000 1.122 205 I CA -3.825 57.316 61.300 -0.264 0.000 0.987 205 I CB 1.351 39.312 38.000 -0.065 0.000 1.236 205 I HN -0.955 7.221 8.210 -0.032 0.014 0.453 206 P HA 0.201 4.821 4.420 -0.059 -0.235 0.268 206 P C -1.103 176.195 177.300 -0.003 0.000 1.205 206 P CA -0.113 62.930 63.100 -0.096 0.000 0.771 206 P CB 0.256 31.883 31.700 -0.122 0.000 0.858 207 L N 0.780 121.995 121.223 -0.014 0.000 2.319 207 L HA 0.783 5.319 4.340 0.044 -0.170 0.267 207 L C -0.555 176.292 176.870 -0.038 0.000 1.011 207 L CA -1.531 53.315 54.840 0.010 0.000 0.818 207 L CB 4.078 46.153 42.059 0.027 0.000 1.316 207 L HN -0.514 7.847 8.230 -0.023 -0.145 0.432 208 V N -0.683 119.233 119.914 0.003 0.000 2.540 208 V HA 0.473 4.693 4.120 -0.116 -0.170 0.302 208 V C -1.568 174.556 176.094 0.050 0.000 1.035 208 V CA -1.435 60.851 62.300 -0.023 0.000 0.873 208 V CB 2.827 34.673 31.823 0.038 0.000 0.992 208 V HN 0.257 8.471 8.190 0.040 0.000 0.428 209 L N 7.465 128.686 121.223 -0.002 0.000 2.276 209 L HA 0.485 4.877 4.340 0.086 0.000 0.286 209 L C -2.011 174.883 176.870 0.040 0.000 1.024 209 L CA -1.825 53.044 54.840 0.048 0.000 0.826 209 L CB 2.246 44.324 42.059 0.032 0.000 1.211 209 L HN 0.235 8.422 8.230 -0.072 0.000 0.422 210 H N 6.244 125.314 119.070 -0.001 0.000 2.546 210 H HA 0.079 4.685 4.556 0.082 0.000 0.365 210 H C 0.551 175.889 175.328 0.018 0.000 1.220 210 H CA 0.939 57.016 56.048 0.048 0.000 1.386 210 H CB 2.182 31.997 29.762 0.087 0.000 1.510 210 H HN 0.496 8.962 8.280 0.310 0.000 0.591 211 G N -1.139 107.774 108.800 0.188 0.000 2.295 211 G HA2 -0.458 3.623 3.960 0.201 0.000 0.287 211 G HA3 -0.458 3.641 3.960 0.020 -0.127 0.287 211 G C -1.038 173.898 174.900 0.059 0.000 1.055 211 G CA 0.530 45.699 45.100 0.116 0.000 0.922 211 G HN 0.796 9.256 8.290 0.283 0.000 0.503 212 A N -2.364 120.493 122.820 0.062 0.000 2.379 212 A HA 0.158 4.532 4.320 0.090 0.000 0.236 212 A C -0.746 176.889 177.584 0.084 0.000 1.272 212 A CA -0.770 51.309 52.037 0.069 0.000 0.886 212 A CB 0.780 19.803 19.000 0.038 0.000 0.962 212 A HN -0.603 7.580 8.150 0.055 0.000 0.504 213 S N -2.106 113.635 115.700 0.068 0.000 2.568 213 S HA -0.228 4.386 4.470 0.101 -0.084 0.282 213 S C 0.076 174.718 174.600 0.070 0.000 1.338 213 S CA 0.635 58.878 58.200 0.073 0.000 1.045 213 S CB 0.907 64.129 63.200 0.037 0.000 0.873 213 S HN -0.624 7.671 8.310 0.058 0.050 0.516 214 A N 3.923 126.795 122.820 0.088 0.000 2.140 214 A HA 0.363 4.947 4.320 0.025 -0.249 0.209 214 A C -0.293 177.250 177.584 -0.069 0.000 1.181 214 A CA -0.574 51.481 52.037 0.031 0.000 0.824 214 A CB 1.631 20.707 19.000 0.127 0.000 0.879 214 A HN 0.398 9.056 8.150 0.117 -0.437 0.480 215 I N -3.052 117.495 120.570 -0.038 0.000 7.277 215 I HA -0.429 3.774 4.170 -0.051 -0.064 0.126 215 I C -3.000 173.061 176.117 -0.093 0.000 1.720 215 I CA -0.375 60.881 61.300 -0.072 0.000 2.268 215 I CB -2.338 35.590 38.000 -0.120 0.000 3.404 215 I HN -0.216 8.456 8.210 -0.004 -0.464 0.234 216 P HA 0.083 4.371 4.420 -0.220 0.000 0.270 216 P C -0.196 177.087 177.300 -0.029 0.000 1.223 216 P CA -0.459 62.616 63.100 -0.042 0.000 0.785 216 P CB 0.724 32.540 31.700 0.194 0.000 0.923 217 D N 1.372 121.748 120.400 -0.041 0.000 2.104 217 D HA -0.372 4.250 4.640 -0.029 0.000 0.194 217 D C 1.624 177.939 176.300 0.025 0.000 0.994 217 D CA 4.251 58.243 54.000 -0.015 0.000 0.830 217 D CB -0.312 40.480 40.800 -0.013 0.000 0.959 217 D HN 0.433 8.764 8.370 -0.065 0.000 0.452 218 N N -0.650 118.081 118.700 0.051 0.000 2.166 218 N HA -0.248 4.520 4.740 0.046 0.000 0.186 218 N C 2.107 177.654 175.510 0.061 0.000 1.019 218 N CA 2.974 56.057 53.050 0.055 0.000 0.856 218 N CB -1.029 37.495 38.487 0.063 0.000 0.993 218 N HN 0.460 8.881 8.380 0.068 0.000 0.426 219 V N 1.956 121.909 119.914 0.066 0.000 2.358 219 V HA -0.485 3.684 4.120 0.083 0.000 0.246 219 V C 1.740 177.883 176.094 0.083 0.000 1.047 219 V CA 3.807 66.151 62.300 0.073 0.000 1.035 219 V CB -0.201 31.659 31.823 0.062 0.000 0.658 219 V HN -0.922 7.309 8.190 0.067 0.000 0.452 220 R N -0.557 119.974 120.500 0.052 0.000 2.091 220 R HA -0.406 3.978 4.340 0.074 0.000 0.238 220 R C 1.690 178.053 176.300 0.103 0.000 1.136 220 R CA 3.780 59.919 56.100 0.065 0.000 0.959 220 R CB -0.251 30.059 30.300 0.017 0.000 0.856 220 R HN -0.213 8.075 8.270 0.031 0.000 0.437 221 K N -1.081 119.361 120.400 0.070 0.000 2.057 221 K HA -0.285 4.069 4.320 0.057 0.000 0.207 221 K C 2.070 178.712 176.600 0.070 0.000 1.049 221 K CA 3.416 59.739 56.287 0.060 0.000 0.931 221 K CB -0.303 32.221 32.500 0.040 0.000 0.714 221 K HN -0.262 8.021 8.250 0.056 0.000 0.440 222 S N -0.049 115.701 115.700 0.083 0.000 2.368 222 S HA -0.330 4.171 4.470 0.051 0.000 0.225 222 S C 1.931 176.594 174.600 0.105 0.000 1.030 222 S CA 3.564 61.813 58.200 0.081 0.000 0.999 222 S CB 0.082 63.334 63.200 0.087 0.000 0.844 222 S HN -0.464 7.896 8.310 0.084 0.000 0.459 223 Y N 2.685 123.001 120.300 0.027 0.000 2.200 223 Y HA -0.367 4.208 4.550 0.041 0.000 0.290 223 Y C 1.576 177.495 175.900 0.032 0.000 1.137 223 Y CA 3.795 61.916 58.100 0.034 0.000 1.163 223 Y CB 0.170 38.651 38.460 0.035 0.000 0.988 223 Y HN -0.531 7.910 8.280 0.268 0.000 0.518 224 L N -1.600 119.684 121.223 0.103 0.000 2.093 224 L HA -0.294 4.212 4.340 0.010 -0.159 0.208 224 L C 2.854 179.710 176.870 -0.024 0.000 1.085 224 L CA 2.411 57.270 54.840 0.032 0.000 0.755 224 L CB -0.466 41.636 42.059 0.071 0.000 0.904 224 L HN -0.081 8.246 8.230 0.162 0.000 0.435 225 D N -0.153 120.241 120.400 -0.010 0.000 2.218 225 D HA -0.183 4.449 4.640 -0.013 0.000 0.204 225 D C 0.832 177.104 176.300 -0.047 0.000 0.976 225 D CA 2.467 56.456 54.000 -0.018 0.000 0.853 225 D CB -0.413 40.385 40.800 -0.004 0.000 0.939 225 D HN 0.024 8.402 8.370 0.013 0.000 0.481 226 A N -3.267 119.500 122.820 -0.088 0.000 2.302 226 A HA -0.001 4.275 4.320 -0.073 0.000 0.219 226 A C -0.181 177.314 177.584 -0.148 0.000 1.243 226 A CA -0.248 51.721 52.037 -0.112 0.000 0.856 226 A CB -0.033 18.889 19.000 -0.130 0.000 0.893 226 A HN -0.767 7.188 8.150 -0.102 0.133 0.491 227 G N -2.530 106.188 108.800 -0.137 0.000 2.175 227 G HA2 -0.290 3.627 3.960 -0.071 0.000 0.244 227 G HA3 -0.290 3.616 3.960 -0.091 0.000 0.244 227 G C 0.328 175.130 174.900 -0.164 0.000 0.982 227 G CA -0.137 44.896 45.100 -0.111 0.000 0.641 227 G HN -0.362 7.673 8.290 -0.115 0.186 0.527 228 G N 0.181 108.764 108.800 -0.362 0.000 2.636 228 G HA2 -0.117 3.631 3.960 -0.353 0.000 0.246 228 G HA3 -0.117 3.160 3.960 -1.238 -0.060 0.246 228 G C -1.744 173.154 174.900 -0.004 0.000 1.216 228 G CA -0.574 44.237 45.100 -0.482 0.000 0.854 228 G HN -0.374 7.599 8.290 -0.446 0.049 0.572 229 D N -1.356 119.190 120.400 0.243 0.000 2.481 229 D HA 0.197 4.944 4.640 0.178 0.000 0.246 229 D C -0.746 175.743 176.300 0.316 0.000 1.109 229 D CA -0.696 53.446 54.000 0.236 0.000 0.845 229 D CB 0.898 41.796 40.800 0.164 0.000 1.160 229 D HN 0.100 8.682 8.370 0.354 0.000 0.534 230 L N 4.153 125.521 121.223 0.242 0.000 3.347 230 L HA 0.141 4.596 4.340 0.191 0.000 0.306 230 L C -0.920 176.058 176.870 0.179 0.000 1.301 230 L CA -1.075 53.869 54.840 0.173 0.000 0.985 230 L CB 0.662 42.762 42.059 0.068 0.000 1.400 230 L HN 0.310 8.665 8.230 0.207 0.000 0.601 231 K N 1.199 121.719 120.400 0.200 0.000 2.472 231 K HA -0.327 4.072 4.320 0.131 0.000 0.280 231 K C 0.808 177.562 176.600 0.257 0.000 1.028 231 K CA 2.350 58.740 56.287 0.171 0.000 1.045 231 K CB 0.262 32.836 32.500 0.123 0.000 0.902 231 K HN -0.517 8.145 8.250 0.193 -0.295 0.478 232 G N 4.658 113.573 108.800 0.193 0.000 2.176 232 G HA2 -0.313 3.742 3.960 0.159 0.000 0.253 232 G HA3 -0.313 3.807 3.960 0.266 0.000 0.253 232 G C -0.728 174.334 174.900 0.271 0.000 0.979 232 G CA -0.097 45.142 45.100 0.232 0.000 0.641 232 G HN 0.442 8.814 8.290 0.136 0.000 0.530 233 S N 1.186 116.946 115.700 0.101 0.000 2.564 233 S HA -0.075 4.230 4.470 -0.436 -0.097 0.278 233 S C -0.542 173.989 174.600 -0.115 0.000 1.333 233 S CA -0.175 57.866 58.200 -0.265 0.000 1.048 233 S CB 1.305 64.192 63.200 -0.521 0.000 0.900 233 S HN -0.506 7.810 8.310 0.098 0.053 0.505 234 K N 4.225 124.558 120.400 -0.112 0.000 2.535 234 K HA 0.293 4.590 4.320 -0.038 0.000 0.251 234 K C -1.569 175.029 176.600 -0.003 0.000 0.942 234 K CA -0.711 55.572 56.287 -0.007 0.000 0.798 234 K CB 3.779 36.356 32.500 0.128 0.000 1.267 234 K HN -0.172 7.978 8.250 -0.167 0.000 0.434 235 G N 2.643 111.442 108.800 -0.001 0.000 2.753 235 G HA2 0.594 4.544 3.960 -0.017 0.000 0.285 235 G HA3 0.594 4.564 3.960 -0.025 -0.025 0.285 235 G C -1.241 173.762 174.900 0.172 0.000 1.344 235 G CA -2.010 43.102 45.100 0.020 0.000 1.050 235 G HN -0.206 8.064 8.290 -0.033 0.000 0.532 236 V N 1.515 121.536 119.914 0.179 0.000 2.508 236 V HA 0.059 4.410 4.120 0.385 0.000 0.281 236 V C -1.338 174.774 176.094 0.030 0.000 1.041 236 V CA -1.978 60.467 62.300 0.241 0.000 1.016 236 V CB 0.230 32.221 31.823 0.280 0.000 0.984 236 V HN 0.030 8.295 8.190 0.126 0.000 0.478 237 P HA 0.008 4.224 4.420 -0.341 0.000 0.267 237 P C 0.079 177.391 177.300 0.019 0.000 1.200 237 P CA 0.005 62.943 63.100 -0.271 0.000 0.772 237 P CB 0.667 32.019 31.700 -0.581 0.000 0.855 238 F N 2.628 122.584 119.950 0.010 0.000 2.120 238 F HA -0.446 4.121 4.527 0.067 0.000 0.300 238 F C 1.896 177.755 175.800 0.099 0.000 1.095 238 F CA 3.604 61.637 58.000 0.054 0.000 1.249 238 F CB -0.736 38.282 39.000 0.031 0.000 0.995 238 F HN 0.438 8.584 8.300 -0.256 0.000 0.480 239 E N -1.441 118.936 120.200 0.296 0.000 2.153 239 E HA -0.202 4.497 4.350 0.205 -0.226 0.194 239 E C 2.623 179.448 176.600 0.375 0.000 0.988 239 E CA 3.194 59.756 56.400 0.269 0.000 0.811 239 E CB -0.784 29.059 29.700 0.238 0.000 0.746 239 E HN 0.446 8.944 8.360 0.230 0.000 0.466 240 F N -0.799 119.223 119.950 0.120 0.000 2.259 240 F HA -0.142 4.481 4.527 0.161 0.000 0.298 240 F C 1.957 177.889 175.800 0.220 0.000 1.088 240 F CA 1.209 59.334 58.000 0.207 0.000 1.358 240 F CB -0.428 38.747 39.000 0.291 0.000 1.040 240 F HN -0.585 7.931 8.300 0.548 0.112 0.505 241 L N -0.844 120.607 121.223 0.380 0.000 2.046 241 L HA -0.502 3.995 4.340 0.262 0.000 0.208 241 L C 2.161 179.129 176.870 0.163 0.000 1.077 241 L CA 3.493 58.487 54.840 0.257 0.000 0.747 241 L CB -0.835 41.363 42.059 0.233 0.000 0.896 241 L HN -0.500 7.960 8.230 0.384 0.000 0.432 242 Q N -1.629 118.253 119.800 0.135 0.000 2.050 242 Q HA -0.423 3.947 4.340 0.050 0.000 0.202 242 Q C 2.734 178.727 176.000 -0.011 0.000 0.980 242 Q CA 3.468 59.304 55.803 0.056 0.000 0.840 242 Q CB -0.232 28.534 28.738 0.048 0.000 0.898 242 Q HN -0.322 8.052 8.270 0.173 0.000 0.424 243 E N -0.925 119.224 120.200 -0.085 0.000 2.110 243 E HA -0.269 3.910 4.350 -0.286 0.000 0.193 243 E C 2.714 179.185 176.600 -0.215 0.000 0.988 243 E CA 2.633 58.837 56.400 -0.326 0.000 0.804 243 E CB -0.470 28.717 29.700 -0.854 0.000 0.745 243 E HN -0.390 7.946 8.360 -0.041 0.000 0.458 244 S N 0.445 116.172 115.700 0.045 0.000 2.368 244 S HA -0.240 4.420 4.470 0.317 0.000 0.225 244 S C 2.452 177.104 174.600 0.086 0.000 1.030 244 S CA 3.530 61.852 58.200 0.203 0.000 0.999 244 S CB -0.491 62.861 63.200 0.252 0.000 0.844 244 S HN -0.331 7.943 8.310 0.108 0.101 0.459 245 V N 2.241 122.185 119.914 0.049 0.000 2.343 245 V HA -0.410 3.919 4.120 0.020 -0.196 0.247 245 V C 2.713 178.808 176.094 0.002 0.000 1.051 245 V CA 3.832 66.146 62.300 0.023 0.000 1.036 245 V CB -0.299 31.543 31.823 0.030 0.000 0.654 245 V HN -0.408 7.814 8.190 0.054 0.000 0.451 246 K N -1.419 118.968 120.400 -0.021 0.000 2.147 246 K HA -0.237 4.065 4.320 -0.029 0.000 0.205 246 K C 1.865 178.447 176.600 -0.030 0.000 1.049 246 K CA 2.548 58.812 56.287 -0.038 0.000 0.936 246 K CB -0.294 32.163 32.500 -0.071 0.000 0.722 246 K HN -0.416 7.815 8.250 -0.032 0.000 0.446 247 G N -5.203 103.590 108.800 -0.011 0.000 2.985 247 G HA2 0.112 4.077 3.960 0.008 0.000 0.209 247 G HA3 0.112 4.106 3.960 0.057 0.000 0.209 247 G C -0.727 174.198 174.900 0.041 0.000 1.165 247 G CA -0.370 44.744 45.100 0.024 0.000 0.776 247 G HN -0.516 7.647 8.290 -0.007 0.122 0.541 248 G N -2.158 106.660 108.800 0.030 0.000 2.198 248 G HA2 -0.221 3.755 3.960 0.025 0.000 0.156 248 G HA3 -0.221 3.771 3.960 0.053 0.000 0.156 248 G C -0.677 174.243 174.900 0.034 0.000 1.012 248 G CA -0.570 44.553 45.100 0.037 0.000 0.692 248 G HN -0.610 7.531 8.290 0.021 0.162 0.492 249 I N 1.891 122.477 120.570 0.027 0.000 2.533 249 I HA -0.305 3.976 4.170 -0.007 -0.115 0.284 249 I C -0.927 175.162 176.117 -0.048 0.000 1.109 249 I CA -0.316 60.983 61.300 -0.001 0.000 1.412 249 I CB -1.809 36.204 38.000 0.021 0.000 1.396 249 I HN -0.375 7.859 8.210 0.040 0.000 0.543 250 N N 6.264 124.900 118.700 -0.106 0.000 2.193 250 N HA 0.261 5.059 4.740 -0.150 -0.148 0.210 250 N C -0.886 174.463 175.510 -0.269 0.000 1.215 250 N CA 0.385 53.330 53.050 -0.174 0.000 0.901 250 N CB 3.316 41.691 38.487 -0.186 0.000 1.060 250 N HN 0.693 9.005 8.380 -0.114 0.000 0.508 251 K N 1.213 121.424 120.400 -0.315 0.000 2.397 251 K HA 0.652 4.875 4.320 -0.487 -0.195 0.253 251 K C -2.594 173.806 176.600 -0.333 0.000 0.932 251 K CA -1.161 54.847 56.287 -0.464 0.000 0.795 251 K CB 3.702 35.764 32.500 -0.730 0.000 1.159 251 K HN -0.615 7.481 8.250 -0.256 0.000 0.424 252 V N 7.029 126.742 119.914 -0.336 0.000 2.340 252 V HA 0.308 4.318 4.120 -0.184 0.000 0.277 252 V C -1.465 174.443 176.094 -0.311 0.000 1.017 252 V CA -1.463 60.693 62.300 -0.240 0.000 0.820 252 V CB 1.329 33.061 31.823 -0.151 0.000 1.028 252 V HN 0.234 8.189 8.190 -0.392 0.000 0.436 253 N N 8.954 127.480 118.700 -0.289 0.000 2.468 253 N HA 0.141 4.862 4.740 -0.321 -0.173 0.265 253 N C -0.989 174.433 175.510 -0.147 0.000 1.199 253 N CA 0.606 53.490 53.050 -0.277 0.000 0.928 253 N CB 0.669 38.945 38.487 -0.352 0.000 1.059 253 N HN 0.140 8.355 8.380 -0.275 0.000 0.467 254 T N 5.365 119.838 114.554 -0.135 0.000 3.050 254 T HA 0.296 4.667 4.350 0.036 0.000 0.310 254 T C -2.230 172.537 174.700 0.113 0.000 0.978 254 T CA 0.198 62.304 62.100 0.010 0.000 1.013 254 T CB 2.255 71.154 68.868 0.050 0.000 1.000 254 T HN 0.163 8.294 8.240 -0.182 0.000 0.447 255 D N 6.014 126.470 120.400 0.094 0.000 2.618 255 D HA 0.343 5.054 4.640 0.118 0.000 0.278 255 D C 0.797 177.127 176.300 0.052 0.000 1.203 255 D CA 1.385 55.435 54.000 0.083 0.000 1.073 255 D CB 1.313 42.140 40.800 0.045 0.000 1.632 255 D HN -0.146 8.269 8.370 0.076 0.000 0.473 256 T N 3.420 117.990 114.554 0.028 0.000 2.720 256 T HA -0.410 3.925 4.350 -0.024 0.000 0.268 256 T C 1.684 176.379 174.700 -0.009 0.000 1.037 256 T CA 5.220 67.313 62.100 -0.011 0.000 1.144 256 T CB -0.158 68.688 68.868 -0.037 0.000 0.864 256 T HN -0.320 7.939 8.240 0.033 0.000 0.444 257 D N 1.036 121.453 120.400 0.028 0.000 2.123 257 D HA -0.217 4.430 4.640 0.012 0.000 0.196 257 D C 2.201 178.536 176.300 0.058 0.000 0.992 257 D CA 3.381 57.407 54.000 0.044 0.000 0.833 257 D CB -0.423 40.434 40.800 0.096 0.000 0.954 257 D HN -0.545 7.853 8.370 0.048 0.000 0.455 258 L N -1.303 119.967 121.223 0.078 0.000 2.046 258 L HA -0.305 4.085 4.340 0.083 0.000 0.208 258 L C 1.864 178.784 176.870 0.083 0.000 1.077 258 L CA 3.346 58.233 54.840 0.080 0.000 0.747 258 L CB -0.376 41.731 42.059 0.080 0.000 0.896 258 L HN -0.665 7.613 8.230 0.092 0.007 0.432 259 R N -1.010 119.513 120.500 0.038 0.000 2.073 259 R HA -0.349 4.007 4.340 0.027 0.000 0.234 259 R C 2.662 179.012 176.300 0.083 0.000 1.134 259 R CA 3.603 59.723 56.100 0.033 0.000 0.952 259 R CB -0.222 30.065 30.300 -0.021 0.000 0.850 259 R HN -0.654 7.629 8.270 0.022 0.000 0.433 260 I N -0.867 119.697 120.570 -0.009 0.000 2.163 260 I HA -0.507 3.551 4.170 -0.187 0.000 0.243 260 I C 1.669 177.849 176.117 0.104 0.000 1.085 260 I CA 3.783 65.029 61.300 -0.090 0.000 1.347 260 I CB -0.350 37.515 38.000 -0.225 0.000 1.044 260 I HN -0.227 7.961 8.210 -0.036 0.000 0.408 261 A N -0.398 122.493 122.820 0.120 0.000 1.902 261 A HA -0.309 4.094 4.320 0.138 0.000 0.217 261 A C 1.738 179.440 177.584 0.196 0.000 1.181 261 A CA 2.961 55.087 52.037 0.147 0.000 0.623 261 A CB -0.796 18.273 19.000 0.115 0.000 0.818 261 A HN -0.559 7.648 8.150 0.094 0.000 0.443 262 F N 0.139 120.138 119.950 0.081 0.000 2.051 262 F HA -0.303 4.284 4.527 0.100 0.000 0.296 262 F C 1.538 177.432 175.800 0.157 0.000 1.122 262 F CA 3.405 61.465 58.000 0.099 0.000 1.201 262 F CB 0.905 39.940 39.000 0.058 0.000 0.978 262 F HN -0.756 7.757 8.300 0.356 0.000 0.472 263 I N -2.291 118.545 120.570 0.443 0.000 2.493 263 I HA -0.493 3.919 4.170 0.402 0.000 0.254 263 I C 1.886 178.189 176.117 0.309 0.000 1.160 263 I CA 1.428 62.965 61.300 0.395 0.000 1.445 263 I CB -1.655 36.590 38.000 0.407 0.000 1.086 263 I HN -0.024 8.450 8.210 0.439 0.000 0.433 264 A N 0.115 123.141 122.820 0.344 0.000 1.908 264 A HA -0.382 4.032 4.320 0.157 0.000 0.218 264 A C 1.857 179.496 177.584 0.091 0.000 1.181 264 A CA 3.650 55.825 52.037 0.230 0.000 0.627 264 A CB -0.864 18.297 19.000 0.269 0.000 0.818 264 A HN 0.051 8.413 8.150 0.373 0.012 0.445 265 E N -2.083 118.152 120.200 0.059 0.000 2.152 265 E HA -0.217 4.131 4.350 -0.004 0.000 0.192 265 E C 2.516 179.132 176.600 0.027 0.000 0.983 265 E CA 2.274 58.672 56.400 -0.004 0.000 0.818 265 E CB -0.421 29.236 29.700 -0.072 0.000 0.758 265 E HN -0.612 7.779 8.360 0.062 0.006 0.467 266 V N 0.760 120.729 119.914 0.092 0.000 2.295 266 V HA -0.539 3.799 4.120 0.363 0.000 0.246 266 V C 1.966 178.209 176.094 0.249 0.000 1.049 266 V CA 4.713 67.171 62.300 0.263 0.000 1.024 266 V CB -0.342 31.674 31.823 0.322 0.000 0.648 266 V HN -0.663 7.568 8.190 0.069 0.000 0.447 267 R N -1.771 118.816 120.500 0.145 0.000 2.096 267 R HA -0.370 4.036 4.340 0.110 0.000 0.235 267 R C 2.140 178.467 176.300 0.046 0.000 1.127 267 R CA 3.898 60.046 56.100 0.080 0.000 0.968 267 R CB -0.364 29.922 30.300 -0.024 0.000 0.861 267 R HN -0.010 8.340 8.270 0.133 0.000 0.440 268 K N 0.001 120.411 120.400 0.016 0.000 2.025 268 K HA -0.274 4.030 4.320 -0.026 0.000 0.207 268 K C 2.128 178.699 176.600 -0.048 0.000 1.049 268 K CA 3.277 59.551 56.287 -0.022 0.000 0.933 268 K CB -0.144 32.336 32.500 -0.033 0.000 0.714 268 K HN -0.527 7.649 8.250 0.022 0.087 0.438 269 V N -0.713 119.148 119.914 -0.087 0.000 2.343 269 V HA -0.525 3.439 4.120 -0.260 0.000 0.247 269 V C 1.638 177.617 176.094 -0.192 0.000 1.051 269 V CA 3.998 66.135 62.300 -0.272 0.000 1.036 269 V CB -0.086 31.359 31.823 -0.631 0.000 0.654 269 V HN -0.451 7.706 8.190 -0.055 0.000 0.451 270 A N -1.570 121.314 122.820 0.107 0.000 1.908 270 A HA -0.352 4.166 4.320 0.331 0.000 0.218 270 A C 2.295 179.930 177.584 0.086 0.000 1.181 270 A CA 3.109 55.293 52.037 0.245 0.000 0.627 270 A CB -0.570 18.612 19.000 0.304 0.000 0.818 270 A HN -0.203 8.080 8.150 0.222 0.000 0.445 271 N N -2.838 115.884 118.700 0.037 0.000 2.188 271 N HA -0.225 4.527 4.740 0.020 0.000 0.184 271 N C 1.676 177.179 175.510 -0.011 0.000 1.018 271 N CA 2.292 55.348 53.050 0.010 0.000 0.858 271 N CB -0.142 38.340 38.487 -0.008 0.000 0.989 271 N HN -0.210 8.103 8.380 0.034 0.087 0.426 272 E N -3.341 116.836 120.200 -0.039 0.000 2.452 272 E HA 0.051 4.378 4.350 -0.038 0.000 0.197 272 E C -0.567 175.997 176.600 -0.060 0.000 1.022 272 E CA 0.775 57.144 56.400 -0.052 0.000 0.890 272 E CB 1.242 30.901 29.700 -0.068 0.000 0.918 272 E HN -0.570 7.757 8.360 -0.054 0.000 0.496 273 D N -0.524 119.835 120.400 -0.068 0.000 2.323 273 D HA 0.135 4.745 4.640 -0.050 0.000 0.242 273 D C -0.379 175.910 176.300 -0.019 0.000 1.347 273 D CA -0.875 53.085 54.000 -0.066 0.000 0.988 273 D CB 0.522 41.247 40.800 -0.125 0.000 1.314 273 D HN -0.664 7.666 8.370 -0.067 0.000 0.564 274 K N 4.066 124.475 120.400 0.015 0.000 2.362 274 K HA -0.100 4.269 4.320 0.082 0.000 0.200 274 K C 0.816 177.472 176.600 0.094 0.000 1.046 274 K CA 1.453 57.776 56.287 0.061 0.000 0.952 274 K CB -0.608 31.922 32.500 0.051 0.000 0.753 274 K HN 0.468 8.723 8.250 0.007 0.000 0.466 275 S N -2.178 113.556 115.700 0.056 0.000 2.593 275 S HA 0.012 4.578 4.470 0.161 0.000 0.217 275 S C -0.018 174.588 174.600 0.011 0.000 0.966 275 S CA -0.148 58.099 58.200 0.079 0.000 0.914 275 S CB 0.076 63.290 63.200 0.023 0.000 0.776 275 S HN -0.561 7.919 8.310 0.018 -0.159 0.523 276 Q N 3.123 122.925 119.800 0.003 0.000 2.294 276 Q HA 0.021 4.194 4.340 -0.277 0.000 0.257 276 Q C -0.775 175.329 176.000 0.173 0.000 0.955 276 Q CA 0.037 55.779 55.803 -0.103 0.000 0.936 276 Q CB 0.485 29.091 28.738 -0.221 0.000 1.188 276 Q HN -0.769 7.458 8.270 0.036 0.064 0.420 277 F N 0.904 120.948 119.950 0.158 0.000 2.901 277 F HA 0.317 5.045 4.527 0.336 0.000 0.329 277 F C -1.431 174.454 175.800 0.140 0.000 1.185 277 F CA -2.168 55.950 58.000 0.197 0.000 1.114 277 F CB 0.759 39.815 39.000 0.094 0.000 1.199 277 F HN -0.004 7.902 8.300 -0.656 0.000 0.513 278 D N 3.379 123.808 120.400 0.048 0.000 2.339 278 D HA -0.018 4.684 4.640 0.103 0.000 0.256 278 D C 0.870 177.245 176.300 0.124 0.000 1.214 278 D CA -0.175 53.860 54.000 0.058 0.000 0.877 278 D CB 1.006 41.772 40.800 -0.057 0.000 1.111 278 D HN -0.528 8.051 8.370 -0.114 -0.278 0.478 279 L N 5.790 127.068 121.223 0.092 0.000 2.079 279 L HA -0.388 3.832 4.340 -0.198 0.000 0.210 279 L C 1.514 178.315 176.870 -0.115 0.000 1.081 279 L CA 3.135 57.936 54.840 -0.065 0.000 0.752 279 L CB 0.075 42.179 42.059 0.075 0.000 0.896 279 L HN 0.554 8.851 8.230 0.112 0.000 0.433 280 R N -2.919 117.609 120.500 0.046 0.000 2.152 280 R HA -0.383 4.058 4.340 0.169 0.000 0.232 280 R C 2.317 178.622 176.300 0.008 0.000 1.117 280 R CA 3.420 59.571 56.100 0.085 0.000 0.981 280 R CB -0.480 29.876 30.300 0.093 0.000 0.870 280 R HN -0.465 8.060 8.270 0.068 -0.215 0.451 281 K N -1.542 118.821 120.400 -0.062 0.000 2.217 281 K HA -0.194 4.045 4.320 -0.135 0.000 0.202 281 K C 1.431 177.861 176.600 -0.282 0.000 1.051 281 K CA 1.943 58.124 56.287 -0.175 0.000 0.952 281 K CB -0.547 31.798 32.500 -0.258 0.000 0.736 281 K HN -0.576 7.524 8.250 -0.043 0.124 0.453 282 F N -2.599 117.166 119.950 -0.308 0.000 2.219 282 F HA -0.216 4.178 4.527 -0.220 0.000 0.294 282 F C 1.702 177.382 175.800 -0.201 0.000 1.086 282 F CA 3.764 61.550 58.000 -0.356 0.000 1.330 282 F CB 0.567 39.168 39.000 -0.665 0.000 1.047 282 F HN -0.733 7.542 8.300 -0.041 0.000 0.495 283 F N -3.873 116.170 119.950 0.155 0.000 2.698 283 F HA 0.013 4.462 4.527 -0.131 0.000 0.295 283 F C 1.742 177.542 175.800 0.001 0.000 1.124 283 F CA -0.859 57.168 58.000 0.045 0.000 1.426 283 F CB -0.894 38.239 39.000 0.222 0.000 1.120 283 F HN -0.267 7.984 8.300 -0.083 0.000 0.583 284 S N 0.910 116.705 115.700 0.159 0.000 2.355 284 S HA -0.019 4.526 4.470 0.126 0.000 0.222 284 S C -0.790 173.826 174.600 0.025 0.000 1.031 284 S CA 5.162 63.418 58.200 0.093 0.000 0.993 284 S CB -2.659 60.578 63.200 0.062 0.000 0.859 284 S HN -0.183 8.201 8.310 0.124 0.000 0.453 285 P HA -0.078 4.322 4.420 -0.034 0.000 0.217 285 P C 0.576 177.825 177.300 -0.086 0.000 1.150 285 P CA 2.163 65.234 63.100 -0.049 0.000 0.832 285 P CB -0.638 31.018 31.700 -0.072 0.000 0.787 286 A N -2.277 120.435 122.820 -0.179 0.000 1.902 286 A HA -0.303 3.800 4.320 -0.361 0.000 0.217 286 A C 2.113 179.554 177.584 -0.239 0.000 1.181 286 A CA 3.047 54.803 52.037 -0.469 0.000 0.623 286 A CB -0.785 17.450 19.000 -1.274 0.000 0.818 286 A HN -0.631 7.433 8.150 -0.144 0.000 0.443 287 Q N -1.475 118.301 119.800 -0.041 0.000 2.084 287 Q HA -0.337 4.140 4.340 0.227 0.000 0.202 287 Q C 2.456 178.489 176.000 0.054 0.000 0.978 287 Q CA 3.052 58.923 55.803 0.112 0.000 0.844 287 Q CB -0.033 28.770 28.738 0.109 0.000 0.898 287 Q HN -0.306 7.947 8.270 -0.027 0.000 0.426 288 L N -0.340 120.894 121.223 0.019 0.000 2.046 288 L HA -0.311 4.034 4.340 0.009 0.000 0.208 288 L C 0.990 177.864 176.870 0.008 0.000 1.077 288 L CA 2.921 57.767 54.840 0.009 0.000 0.747 288 L CB -0.606 41.453 42.059 0.001 0.000 0.896 288 L HN -0.519 7.717 8.230 0.009 0.000 0.432 289 A N -1.401 121.424 122.820 0.009 0.000 1.898 289 A HA -0.334 3.997 4.320 0.018 0.000 0.216 289 A C 1.829 179.439 177.584 0.043 0.000 1.181 289 A CA 3.156 55.207 52.037 0.024 0.000 0.620 289 A CB -0.764 18.252 19.000 0.026 0.000 0.819 289 A HN -0.394 7.753 8.150 -0.005 0.000 0.442 290 L N -1.172 120.099 121.223 0.079 0.000 2.027 290 L HA -0.424 3.965 4.340 0.081 0.000 0.206 290 L C 1.461 178.322 176.870 -0.015 0.000 1.074 290 L CA 2.989 57.878 54.840 0.082 0.000 0.745 290 L CB -0.150 42.022 42.059 0.188 0.000 0.898 290 L HN -0.466 7.823 8.230 0.098 0.000 0.433 291 K N -0.936 119.451 120.400 -0.022 0.000 2.063 291 K HA -0.455 3.791 4.320 -0.123 0.000 0.208 291 K C 2.144 178.694 176.600 -0.084 0.000 1.048 291 K CA 3.492 59.733 56.287 -0.076 0.000 0.928 291 K CB -0.314 32.156 32.500 -0.049 0.000 0.713 291 K HN 0.093 8.348 8.250 0.008 0.000 0.442 292 N N -1.208 117.466 118.700 -0.043 0.000 2.188 292 N HA -0.236 4.475 4.740 -0.048 0.000 0.184 292 N C 2.227 177.714 175.510 -0.039 0.000 1.018 292 N CA 2.860 55.888 53.050 -0.037 0.000 0.858 292 N CB -0.329 38.150 38.487 -0.013 0.000 0.989 292 N HN -0.469 7.896 8.380 -0.023 0.000 0.426 293 V N 0.865 120.765 119.914 -0.024 0.000 2.332 293 V HA -0.502 3.630 4.120 0.019 0.000 0.248 293 V C 1.557 177.616 176.094 -0.059 0.000 1.055 293 V CA 4.574 66.870 62.300 -0.006 0.000 1.038 293 V CB -0.072 31.768 31.823 0.028 0.000 0.651 293 V HN -0.538 7.644 8.190 -0.013 0.000 0.450 294 V N -0.149 119.661 119.914 -0.173 0.000 2.358 294 V HA -0.580 3.322 4.120 -0.363 0.000 0.246 294 V C 1.648 177.615 176.094 -0.211 0.000 1.047 294 V CA 4.597 66.680 62.300 -0.362 0.000 1.035 294 V CB -0.412 30.996 31.823 -0.691 0.000 0.658 294 V HN -0.499 7.585 8.190 -0.176 0.000 0.452 295 K N -0.182 120.123 120.400 -0.159 0.000 2.032 295 K HA -0.344 3.905 4.320 -0.117 0.000 0.209 295 K C 2.623 179.173 176.600 -0.084 0.000 1.048 295 K CA 3.689 59.910 56.287 -0.111 0.000 0.927 295 K CB -0.278 32.167 32.500 -0.091 0.000 0.712 295 K HN -0.154 8.003 8.250 -0.154 0.000 0.441 296 E N -1.749 118.403 120.200 -0.080 0.000 2.106 296 E HA -0.268 4.018 4.350 -0.106 0.000 0.192 296 E C 2.682 179.212 176.600 -0.116 0.000 0.984 296 E CA 2.555 58.894 56.400 -0.103 0.000 0.806 296 E CB -0.405 29.232 29.700 -0.104 0.000 0.750 296 E HN -0.495 7.821 8.360 -0.074 0.000 0.458 297 R N -0.015 120.455 120.500 -0.050 0.000 2.096 297 R HA -0.214 4.098 4.340 -0.047 0.000 0.235 297 R C 2.491 178.816 176.300 0.041 0.000 1.127 297 R CA 2.190 58.301 56.100 0.019 0.000 0.968 297 R CB -0.550 29.859 30.300 0.182 0.000 0.861 297 R HN -0.440 7.811 8.270 -0.032 0.000 0.440 298 M N -0.986 118.641 119.600 0.044 0.000 2.117 298 M HA -0.362 4.164 4.480 0.076 0.000 0.262 298 M C 2.631 178.912 176.300 -0.032 0.000 1.065 298 M CA 4.087 59.405 55.300 0.030 0.000 1.114 298 M CB -0.075 32.524 32.600 -0.002 0.000 1.361 298 M HN -0.144 8.159 8.290 0.021 0.000 0.408 299 K N -1.434 118.929 120.400 -0.061 0.000 2.057 299 K HA -0.343 3.930 4.320 -0.078 0.000 0.206 299 K C 2.553 179.104 176.600 -0.082 0.000 1.050 299 K CA 2.965 59.205 56.287 -0.079 0.000 0.935 299 K CB -0.111 32.336 32.500 -0.088 0.000 0.715 299 K HN -0.660 7.550 8.250 -0.066 0.000 0.439 300 L N -0.755 120.406 121.223 -0.104 0.000 2.046 300 L HA -0.285 3.983 4.340 -0.121 0.000 0.208 300 L C 1.153 177.998 176.870 -0.042 0.000 1.077 300 L CA 2.786 57.558 54.840 -0.114 0.000 0.747 300 L CB 0.090 42.026 42.059 -0.205 0.000 0.896 300 L HN -0.558 7.602 8.230 -0.116 0.000 0.432 301 L N -6.480 114.735 121.223 -0.012 0.000 2.418 301 L HA -0.124 4.236 4.340 0.033 0.000 0.218 301 L C 0.553 177.452 176.870 0.048 0.000 1.125 301 L CA 0.687 55.544 54.840 0.029 0.000 0.835 301 L CB 0.389 42.473 42.059 0.042 0.000 0.953 301 L HN -0.343 7.879 8.230 -0.013 0.000 0.454 302 G N -2.777 106.020 108.800 -0.005 0.000 2.176 302 G HA2 -0.420 3.494 3.960 -0.076 0.000 0.232 302 G HA3 -0.420 3.548 3.960 0.013 0.000 0.232 302 G C -0.080 174.679 174.900 -0.235 0.000 0.986 302 G CA 0.674 45.743 45.100 -0.052 0.000 0.643 302 G HN -0.411 7.831 8.290 -0.028 0.031 0.522 303 S N 0.040 115.637 115.700 -0.172 0.000 2.527 303 S HA -0.108 3.913 4.470 -0.748 0.000 0.222 303 S C 0.402 174.847 174.600 -0.259 0.000 0.985 303 S CA 0.020 58.033 58.200 -0.311 0.000 0.921 303 S CB 0.406 63.598 63.200 -0.013 0.000 0.772 303 S HN -0.365 7.911 8.310 -0.057 0.000 0.529 304 A N 1.745 124.462 122.820 -0.172 0.000 2.540 304 A HA -0.263 4.109 4.320 -0.112 -0.120 0.239 304 A C -0.443 177.044 177.584 -0.162 0.000 1.061 304 A CA 0.832 52.789 52.037 -0.134 0.000 0.758 304 A CB -0.069 18.872 19.000 -0.099 0.000 0.991 304 A HN -0.864 7.170 8.150 -0.141 0.031 0.502 305 N N 0.847 119.475 118.700 -0.120 0.000 2.754 305 N HA -0.337 4.361 4.740 -0.070 0.000 0.248 305 N C -0.069 175.361 175.510 -0.133 0.000 1.093 305 N CA 1.799 54.788 53.050 -0.101 0.000 0.699 305 N CB -1.330 37.106 38.487 -0.086 0.000 1.016 305 N HN 0.175 8.406 8.380 -0.098 0.091 0.552 306 K N -5.163 115.137 120.400 -0.167 0.000 2.387 306 K HA 0.231 4.454 4.320 -0.161 0.000 0.203 306 K C -0.474 176.092 176.600 -0.056 0.000 1.030 306 K CA -1.480 54.698 56.287 -0.182 0.000 1.099 306 K CB 0.543 32.779 32.500 -0.440 0.000 0.863 306 K HN -0.486 7.669 8.250 -0.158 0.000 0.529 307 I N 0.000 120.554 120.570 -0.027 0.000 2.984 307 I HA 0.000 4.187 4.170 0.029 0.000 0.288 307 I CA 0.000 61.313 61.300 0.023 0.000 1.566 307 I CB 0.000 38.035 38.000 0.058 0.000 1.214 307 I HN 0.000 8.188 8.210 -0.037 0.000 0.494