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 2g9b_1_A DATA FIRST_RESID 1 DATA SEQUENCE MAESHLQSSL ITASQFFEIW LHFDADGSGY LEGKELQNLI QELLQARKKA DATA SEQUENCE GLELSPEMKT FVDQYGQRDD GKIGIVELAH VLPTEENFLL LFRCQQLKSC DATA SEQUENCE EEFMKTWRKY DTDHSGFIET EELKNFLKDL LEKANKTVDD TKLAEYTDLM DATA SEQUENCE LKLFDSNNDG KLELTEMARL LPVQENFLLK FQGIKMCGKE FNKAFELYDQ DATA SEQUENCE DGNGYIDENE LDALLKDLCE KNKQELDINN ISTYKKNIMA LSDGGKLYRT DATA SEQUENCE DLALILSAGD N 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 4.125 4.480 -0.591 0.000 0.227 1 M C 0.000 175.978 176.300 -0.536 0.000 1.140 1 M CA 0.000 54.990 55.300 -0.517 0.000 0.988 1 M CB 0.000 32.287 32.600 -0.522 0.000 1.302 2 A N 1.167 123.749 122.820 -0.397 0.000 1.883 2 A HA -0.395 3.862 4.320 -0.107 0.000 0.217 2 A C 1.403 178.940 177.584 -0.079 0.000 1.186 2 A CA 3.585 55.541 52.037 -0.135 0.000 0.624 2 A CB -1.088 17.982 19.000 0.117 0.000 0.822 2 A HN 0.298 8.126 8.150 -0.537 0.000 0.444 3 E N -3.274 116.878 120.200 -0.079 0.000 2.169 3 E HA -0.394 3.947 4.350 -0.016 0.000 0.202 3 E C 1.072 177.627 176.600 -0.075 0.000 1.016 3 E CA 2.989 59.356 56.400 -0.055 0.000 0.817 3 E CB -0.359 29.307 29.700 -0.056 0.000 0.736 3 E HN 0.582 8.896 8.360 -0.076 0.000 0.462 4 S N -1.643 113.964 115.700 -0.156 0.000 2.339 4 S HA -0.045 4.375 4.470 -0.083 0.000 0.213 4 S C 2.214 176.779 174.600 -0.059 0.000 1.033 4 S CA 2.845 60.954 58.200 -0.151 0.000 0.950 4 S CB 0.283 63.309 63.200 -0.289 0.000 0.893 4 S HN -0.879 7.127 8.310 -0.228 0.166 0.492 5 H N 1.724 120.772 119.070 -0.036 0.000 2.524 5 H HA -0.030 4.512 4.556 -0.023 0.000 0.282 5 H C 2.835 178.159 175.328 -0.006 0.000 1.016 5 H CA 1.641 57.674 56.048 -0.026 0.000 1.270 5 H CB -0.412 29.328 29.762 -0.038 0.000 1.394 5 H HN 0.173 8.217 8.280 -0.394 0.000 0.568 6 L N -1.703 119.581 121.223 0.101 0.000 2.270 6 L HA -0.163 4.233 4.340 0.093 0.000 0.210 6 L C 0.179 177.077 176.870 0.047 0.000 1.104 6 L CA 2.041 56.926 54.840 0.076 0.000 0.804 6 L CB -0.058 42.041 42.059 0.067 0.000 0.937 6 L HN -0.228 7.983 8.230 0.050 0.049 0.450 7 Q N -6.456 113.364 119.800 0.034 0.000 2.172 7 Q HA 0.183 4.533 4.340 0.018 0.000 0.217 7 Q C -0.778 175.234 176.000 0.020 0.000 0.832 7 Q CA -1.253 54.561 55.803 0.020 0.000 1.010 7 Q CB 0.382 29.125 28.738 0.009 0.000 1.133 7 Q HN -0.647 7.508 8.270 0.033 0.134 0.489 8 S N -1.041 114.680 115.700 0.034 0.000 2.564 8 S HA 0.118 4.599 4.470 0.018 0.000 0.274 8 S C -1.496 173.118 174.600 0.024 0.000 1.124 8 S CA -0.453 57.766 58.200 0.032 0.000 0.869 8 S CB 1.471 64.704 63.200 0.054 0.000 1.105 8 S HN -0.816 7.351 8.310 0.049 0.173 0.472 9 S N 2.459 118.162 115.700 0.006 0.000 3.585 9 S HA -0.273 4.187 4.470 -0.016 0.000 0.638 9 S C -0.883 173.696 174.600 -0.035 0.000 2.340 9 S CA 1.396 59.588 58.200 -0.014 0.000 2.517 9 S CB -0.322 62.868 63.200 -0.016 0.000 0.329 9 S HN 0.345 8.658 8.310 0.006 0.000 1.795 10 L N 1.815 123.002 121.223 -0.060 0.000 2.701 10 L HA 0.224 4.502 4.340 -0.102 0.000 0.237 10 L C -0.316 176.469 176.870 -0.141 0.000 1.204 10 L CA -1.146 53.633 54.840 -0.101 0.000 1.109 10 L CB -0.060 41.939 42.059 -0.100 0.000 1.409 10 L HN 0.137 8.334 8.230 -0.056 0.000 0.428 11 I N -1.676 118.829 120.570 -0.109 0.000 3.247 11 I HA -0.295 3.812 4.170 -0.104 0.000 0.309 11 I C 0.122 176.100 176.117 -0.232 0.000 1.246 11 I CA 0.685 61.918 61.300 -0.112 0.000 1.384 11 I CB -1.616 36.382 38.000 -0.004 0.000 1.401 11 I HN -0.517 7.613 8.210 -0.067 0.040 0.520 12 T N 4.838 119.255 114.554 -0.229 0.000 2.698 12 T HA -0.119 3.809 4.350 -0.704 0.000 0.295 12 T C 0.575 175.154 174.700 -0.201 0.000 1.007 12 T CA -1.432 60.465 62.100 -0.337 0.000 0.980 12 T CB 1.212 70.012 68.868 -0.115 0.000 1.036 12 T HN -0.261 7.884 8.240 -0.158 0.000 0.526 13 A N 1.250 124.020 122.820 -0.084 0.000 2.462 13 A HA 0.156 4.498 4.320 0.037 0.000 0.261 13 A C -0.465 177.218 177.584 0.165 0.000 1.323 13 A CA 0.677 52.738 52.037 0.040 0.000 0.913 13 A CB -0.970 18.044 19.000 0.023 0.000 1.028 13 A HN 0.780 8.967 8.150 0.061 0.000 0.511 14 S N -1.334 114.447 115.700 0.135 0.000 2.506 14 S HA -0.147 4.406 4.470 0.138 0.000 0.230 14 S C 1.629 176.326 174.600 0.162 0.000 1.066 14 S CA 1.246 59.529 58.200 0.139 0.000 0.940 14 S CB 0.628 63.871 63.200 0.071 0.000 0.818 14 S HN -0.376 7.885 8.310 0.088 0.102 0.518 15 Q N 3.233 123.060 119.800 0.045 0.000 2.137 15 Q HA -0.176 4.088 4.340 -0.126 0.000 0.198 15 Q C 1.895 177.886 176.000 -0.015 0.000 0.960 15 Q CA 2.794 58.538 55.803 -0.097 0.000 0.847 15 Q CB -0.195 28.386 28.738 -0.261 0.000 0.915 15 Q HN -0.354 7.931 8.270 0.026 0.000 0.448 16 F N 1.542 121.445 119.950 -0.079 0.000 2.091 16 F HA -0.450 4.067 4.527 -0.016 0.000 0.299 16 F C 0.993 176.821 175.800 0.046 0.000 1.103 16 F CA 4.291 62.274 58.000 -0.027 0.000 1.228 16 F CB -0.062 38.892 39.000 -0.077 0.000 0.984 16 F HN 0.002 8.412 8.300 0.183 0.000 0.477 17 F N -1.491 118.492 119.950 0.054 0.000 2.161 17 F HA -0.441 3.950 4.527 -0.226 0.000 0.300 17 F C 1.303 177.105 175.800 0.003 0.000 1.089 17 F CA 3.159 61.123 58.000 -0.060 0.000 1.282 17 F CB -0.072 38.895 39.000 -0.054 0.000 1.010 17 F HN -0.160 8.327 8.300 0.426 0.068 0.485 18 E N 0.322 120.432 120.200 -0.151 0.000 2.031 18 E HA -0.358 3.761 4.350 -0.386 0.000 0.193 18 E C 2.551 178.985 176.600 -0.276 0.000 0.994 18 E CA 2.986 59.243 56.400 -0.238 0.000 0.800 18 E CB -0.701 28.958 29.700 -0.068 0.000 0.752 18 E HN -0.512 7.753 8.360 0.045 0.122 0.447 19 I N -1.234 119.218 120.570 -0.197 0.000 2.264 19 I HA -0.338 3.711 4.170 -0.202 0.000 0.248 19 I C 1.563 177.226 176.117 -0.756 0.000 1.111 19 I CA 3.482 64.624 61.300 -0.263 0.000 1.382 19 I CB -0.131 37.811 38.000 -0.097 0.000 1.060 19 I HN -0.202 7.934 8.210 -0.124 0.000 0.418 20 W N -0.603 120.176 121.300 -0.867 0.000 2.418 20 W HA -0.292 3.633 4.660 -1.225 0.000 0.292 20 W C 1.419 177.396 176.519 -0.903 0.000 1.213 20 W CA 1.975 58.772 57.345 -0.914 0.000 1.283 20 W CB 0.552 29.725 29.460 -0.477 0.000 1.119 20 W HN -0.072 7.826 8.180 -0.305 0.099 0.542 21 L N 0.354 121.261 121.223 -0.526 0.000 2.291 21 L HA -0.225 3.876 4.340 -0.398 0.000 0.214 21 L C 2.061 178.676 176.870 -0.426 0.000 1.120 21 L CA 2.063 56.603 54.840 -0.499 0.000 0.799 21 L CB -0.806 40.847 42.059 -0.677 0.000 0.925 21 L HN 0.332 8.049 8.230 -0.514 0.204 0.446 22 H N -0.332 118.338 119.070 -0.666 0.000 2.561 22 H HA -0.149 4.231 4.556 -0.294 0.000 0.278 22 H C 0.017 175.106 175.328 -0.398 0.000 1.014 22 H CA 2.005 57.758 56.048 -0.493 0.000 1.211 22 H CB 0.479 29.979 29.762 -0.437 0.000 1.365 22 H HN -0.183 7.584 8.280 -0.596 0.155 0.594 23 F N -9.480 110.351 119.950 -0.199 0.000 2.988 23 F HA 0.353 4.731 4.527 -0.249 0.000 0.333 23 F C -1.170 174.450 175.800 -0.299 0.000 1.243 23 F CA -2.937 54.912 58.000 -0.253 0.000 1.041 23 F CB 0.038 38.900 39.000 -0.230 0.000 1.354 23 F HN -0.504 6.971 8.300 -1.083 0.175 0.505 24 D N 3.518 123.741 120.400 -0.296 0.000 2.943 24 D HA 0.118 4.588 4.640 -0.284 0.000 0.249 24 D C -0.361 175.860 176.300 -0.132 0.000 1.231 24 D CA -2.220 51.597 54.000 -0.306 0.000 0.979 24 D CB -1.176 39.339 40.800 -0.474 0.000 1.053 24 D HN -0.457 7.511 8.370 -0.405 0.159 0.504 25 A N 1.972 124.741 122.820 -0.086 0.000 1.859 25 A HA -0.388 3.901 4.320 -0.051 0.000 0.218 25 A C 1.174 178.750 177.584 -0.014 0.000 1.242 25 A CA 3.017 55.027 52.037 -0.045 0.000 0.661 25 A CB -0.627 18.353 19.000 -0.033 0.000 0.842 25 A HN -0.529 7.482 8.150 -0.079 0.092 0.455 26 D N -2.888 117.513 120.400 0.000 0.000 2.265 26 D HA -0.216 4.441 4.640 0.027 0.000 0.208 26 D C 1.211 177.546 176.300 0.057 0.000 0.977 26 D CA 1.092 55.110 54.000 0.030 0.000 0.871 26 D CB -0.267 40.556 40.800 0.038 0.000 0.925 26 D HN 0.230 8.594 8.370 -0.010 0.000 0.485 27 G N -0.236 108.601 108.800 0.063 0.000 2.153 27 G HA2 -0.326 3.923 3.960 0.141 0.000 0.252 27 G HA3 -0.326 3.704 3.960 0.116 0.000 0.252 27 G C 0.621 175.620 174.900 0.166 0.000 0.994 27 G CA 0.555 45.728 45.100 0.121 0.000 0.698 27 G HN -0.389 7.827 8.290 0.025 0.088 0.521 28 S N 0.001 115.797 115.700 0.160 0.000 2.440 28 S HA -0.308 4.279 4.470 0.196 0.000 0.240 28 S C 0.568 175.351 174.600 0.306 0.000 1.014 28 S CA 1.969 60.304 58.200 0.225 0.000 0.980 28 S CB 0.151 63.489 63.200 0.230 0.000 0.775 28 S HN -0.254 8.116 8.310 0.117 0.010 0.499 29 G N -1.734 107.249 108.800 0.305 0.000 2.132 29 G HA2 -0.311 4.032 3.960 0.495 0.000 0.234 29 G HA3 -0.311 3.715 3.960 0.109 0.000 0.234 29 G C -1.754 173.300 174.900 0.256 0.000 0.989 29 G CA 0.189 45.467 45.100 0.296 0.000 0.676 29 G HN -0.618 8.138 8.290 0.278 -0.300 0.522 30 Y N -3.643 116.940 120.300 0.470 0.000 2.442 30 Y HA 0.235 5.373 4.550 0.818 -0.098 0.330 30 Y C -1.236 174.618 175.900 -0.076 0.000 1.100 30 Y CA -1.222 57.112 58.100 0.391 0.000 1.034 30 Y CB 3.353 41.964 38.460 0.251 0.000 1.285 30 Y HN -0.977 7.495 8.280 0.381 0.036 0.440 31 L N 3.703 124.741 121.223 -0.308 0.000 2.600 31 L HA -0.002 3.989 4.340 -0.582 0.000 0.278 31 L C -0.809 176.021 176.870 -0.067 0.000 1.139 31 L CA -0.080 54.500 54.840 -0.432 0.000 0.933 31 L CB -0.399 41.374 42.059 -0.476 0.000 1.266 31 L HN 0.339 8.490 8.230 -0.133 0.000 0.471 32 E N 5.078 125.252 120.200 -0.045 0.000 2.277 32 E HA 0.086 4.466 4.350 0.050 0.000 0.274 32 E C 0.870 177.468 176.600 -0.004 0.000 1.022 32 E CA -1.133 55.275 56.400 0.014 0.000 0.853 32 E CB 1.970 31.685 29.700 0.025 0.000 1.086 32 E HN -0.230 8.071 8.360 -0.098 0.000 0.397 33 G N 5.902 114.708 108.800 0.010 0.000 2.684 33 G HA2 -0.543 3.654 3.960 0.004 0.000 0.342 33 G HA3 -0.543 3.376 3.960 -0.004 0.039 0.342 33 G C 0.825 175.714 174.900 -0.017 0.000 1.316 33 G CA 1.792 46.892 45.100 -0.001 0.000 0.994 33 G HN 0.630 8.935 8.290 0.025 0.000 0.541 34 K N 4.944 125.330 120.400 -0.024 0.000 2.360 34 K HA -0.263 4.035 4.320 -0.037 0.000 0.201 34 K C 1.353 177.922 176.600 -0.051 0.000 1.046 34 K CA 2.214 58.480 56.287 -0.035 0.000 0.945 34 K CB -0.479 32.003 32.500 -0.030 0.000 0.750 34 K HN 0.234 8.473 8.250 -0.018 0.000 0.464 35 E N -1.872 118.297 120.200 -0.050 0.000 2.511 35 E HA -0.138 4.173 4.350 -0.065 0.000 0.196 35 E C 1.871 178.393 176.600 -0.131 0.000 1.066 35 E CA 0.748 57.109 56.400 -0.066 0.000 0.871 35 E CB -0.884 28.794 29.700 -0.037 0.000 0.863 35 E HN -0.403 7.879 8.360 -0.038 0.055 0.520 36 L N 0.348 121.508 121.223 -0.106 0.000 2.298 36 L HA 0.013 4.239 4.340 -0.189 0.000 0.209 36 L C 0.706 177.502 176.870 -0.123 0.000 1.084 36 L CA 2.471 57.243 54.840 -0.113 0.000 0.816 36 L CB 0.676 42.723 42.059 -0.020 0.000 0.967 36 L HN -0.200 7.800 8.230 -0.068 0.190 0.460 37 Q N -1.154 118.588 119.800 -0.096 0.000 2.311 37 Q HA -0.344 3.950 4.340 -0.077 0.000 0.203 37 Q C 2.101 178.038 176.000 -0.106 0.000 0.954 37 Q CA 3.245 58.997 55.803 -0.084 0.000 0.885 37 Q CB -0.174 28.526 28.738 -0.062 0.000 0.963 37 Q HN -0.150 7.948 8.270 -0.080 0.124 0.471 38 N N 0.239 118.861 118.700 -0.130 0.000 2.171 38 N HA -0.232 4.449 4.740 -0.097 0.000 0.184 38 N C 1.827 177.195 175.510 -0.235 0.000 1.021 38 N CA 2.481 55.451 53.050 -0.133 0.000 0.854 38 N CB -0.022 38.410 38.487 -0.092 0.000 0.994 38 N HN -0.280 7.973 8.380 -0.124 0.052 0.426 39 L N 1.152 122.085 121.223 -0.483 0.000 1.921 39 L HA -0.337 3.279 4.340 -1.205 0.000 0.219 39 L C 1.390 178.006 176.870 -0.424 0.000 1.081 39 L CA 2.975 57.233 54.840 -0.969 0.000 0.771 39 L CB -0.372 40.761 42.059 -1.543 0.000 0.888 39 L HN -0.283 7.503 8.230 -0.422 0.190 0.433 40 I N -1.890 118.541 120.570 -0.231 0.000 2.247 40 I HA -0.706 3.489 4.170 0.041 0.000 0.249 40 I C 2.169 178.257 176.117 -0.048 0.000 1.027 40 I CA 4.054 65.329 61.300 -0.040 0.000 1.316 40 I CB -0.635 37.372 38.000 0.012 0.000 1.007 40 I HN -0.029 8.050 8.210 -0.217 0.000 0.430 41 Q N -1.753 118.002 119.800 -0.075 0.000 2.187 41 Q HA -0.277 4.047 4.340 -0.026 0.000 0.199 41 Q C 2.579 178.562 176.000 -0.029 0.000 0.957 41 Q CA 3.186 58.964 55.803 -0.043 0.000 0.857 41 Q CB -0.128 28.583 28.738 -0.045 0.000 0.929 41 Q HN -0.199 7.787 8.270 -0.113 0.216 0.453 42 E N -0.244 119.932 120.200 -0.040 0.000 2.216 42 E HA -0.212 4.152 4.350 0.023 0.000 0.192 42 E C 2.462 179.077 176.600 0.024 0.000 0.988 42 E CA 2.103 58.512 56.400 0.015 0.000 0.834 42 E CB -0.221 29.524 29.700 0.075 0.000 0.772 42 E HN -0.171 8.039 8.360 -0.089 0.097 0.479 43 L N 1.001 122.216 121.223 -0.014 0.000 2.023 43 L HA -0.194 4.163 4.340 0.028 0.000 0.205 43 L C 1.143 178.020 176.870 0.011 0.000 1.073 43 L CA 3.341 58.182 54.840 0.002 0.000 0.745 43 L CB -0.162 41.880 42.059 -0.028 0.000 0.900 43 L HN 0.260 8.230 8.230 -0.062 0.223 0.435 44 L N -5.799 115.429 121.223 0.008 0.000 2.362 44 L HA -0.183 4.167 4.340 0.016 0.000 0.219 44 L C 2.193 179.069 176.870 0.010 0.000 1.134 44 L CA 2.442 57.289 54.840 0.013 0.000 0.807 44 L CB -1.664 40.404 42.059 0.016 0.000 0.927 44 L HN 0.237 8.358 8.230 0.000 0.109 0.447 45 Q N 0.778 120.583 119.800 0.009 0.000 2.049 45 Q HA -0.267 4.077 4.340 0.007 0.000 0.198 45 Q C 1.855 177.863 176.000 0.013 0.000 0.971 45 Q CA 2.613 58.422 55.803 0.010 0.000 0.833 45 Q CB -0.705 28.041 28.738 0.013 0.000 0.896 45 Q HN -0.115 8.033 8.270 0.007 0.126 0.434 46 A N -0.516 122.315 122.820 0.019 0.000 1.972 46 A HA -0.294 4.034 4.320 0.013 0.000 0.219 46 A C 2.410 180.001 177.584 0.012 0.000 1.169 46 A CA 2.821 54.869 52.037 0.017 0.000 0.635 46 A CB -0.818 18.198 19.000 0.027 0.000 0.810 46 A HN -0.124 7.845 8.150 0.022 0.193 0.446 47 R N -1.940 118.568 120.500 0.013 0.000 2.064 47 R HA -0.232 4.114 4.340 0.010 0.000 0.228 47 R C 2.348 178.653 176.300 0.008 0.000 1.144 47 R CA 2.826 58.932 56.100 0.011 0.000 0.932 47 R CB -0.394 29.913 30.300 0.012 0.000 0.833 47 R HN -0.084 8.161 8.270 0.015 0.033 0.429 48 K N -1.698 118.706 120.400 0.008 0.000 2.283 48 K HA -0.251 4.072 4.320 0.006 0.000 0.202 48 K C 2.796 179.399 176.600 0.004 0.000 1.048 48 K CA 2.848 59.139 56.287 0.006 0.000 0.948 48 K CB -0.176 32.327 32.500 0.005 0.000 0.742 48 K HN -0.494 7.762 8.250 0.009 0.000 0.458 49 K N 0.202 120.604 120.400 0.004 0.000 1.965 49 K HA -0.233 4.088 4.320 0.002 0.000 0.214 49 K C 1.760 178.360 176.600 0.001 0.000 1.042 49 K CA 2.279 58.567 56.287 0.002 0.000 0.950 49 K CB 0.202 32.703 32.500 0.003 0.000 0.733 49 K HN 0.065 8.179 8.250 0.006 0.140 0.441 50 A N -4.110 118.711 122.820 0.001 0.000 2.272 50 A HA -0.126 4.192 4.320 -0.002 0.000 0.213 50 A C 0.504 178.088 177.584 0.001 0.000 1.183 50 A CA 0.902 52.938 52.037 -0.001 0.000 0.719 50 A CB -0.087 18.913 19.000 -0.001 0.000 0.771 50 A HN -0.265 7.886 8.150 0.002 0.000 0.484 51 G N -3.129 105.672 108.800 0.002 0.000 2.160 51 G HA2 -0.388 3.574 3.960 0.003 0.000 0.244 51 G HA3 -0.388 3.573 3.960 0.002 0.000 0.244 51 G C -0.913 173.989 174.900 0.003 0.000 1.022 51 G CA -0.079 45.023 45.100 0.002 0.000 0.741 51 G HN -0.380 7.748 8.290 0.002 0.164 0.508 52 L N 0.535 121.761 121.223 0.004 0.000 2.313 52 L HA 0.221 4.564 4.340 0.004 0.000 0.283 52 L C -0.759 176.115 176.870 0.007 0.000 1.013 52 L CA -1.250 53.593 54.840 0.005 0.000 0.816 52 L CB 1.309 43.371 42.059 0.005 0.000 1.236 52 L HN 0.047 8.165 8.230 0.005 0.115 0.419 53 E N 2.329 122.533 120.200 0.007 0.000 2.408 53 E HA -0.166 4.189 4.350 0.009 0.000 0.259 53 E C -0.807 175.800 176.600 0.011 0.000 1.110 53 E CA -0.841 55.565 56.400 0.009 0.000 0.929 53 E CB 0.902 30.607 29.700 0.009 0.000 0.971 53 E HN 0.269 8.632 8.360 0.006 0.000 0.438 54 L N 2.811 124.042 121.223 0.014 0.000 2.312 54 L HA 0.043 4.392 4.340 0.015 0.000 0.287 54 L C -0.704 176.178 176.870 0.021 0.000 1.091 54 L CA -0.521 54.330 54.840 0.018 0.000 0.846 54 L CB -0.070 42.004 42.059 0.024 0.000 1.219 54 L HN 0.279 8.518 8.230 0.015 0.000 0.439 55 S N 6.301 122.010 115.700 0.015 0.000 2.558 55 S HA -0.053 4.426 4.470 0.015 0.000 0.287 55 S C -0.592 174.023 174.600 0.024 0.000 1.321 55 S CA -0.596 57.613 58.200 0.015 0.000 1.048 55 S CB 1.037 64.241 63.200 0.007 0.000 0.844 55 S HN -0.398 7.920 8.310 0.012 0.000 0.512 56 P HA -0.138 4.306 4.420 0.040 0.000 0.229 56 P C -0.381 176.950 177.300 0.051 0.000 1.147 56 P CA 2.141 65.264 63.100 0.038 0.000 0.766 56 P CB -0.194 31.527 31.700 0.036 0.000 0.775 57 E N -3.183 117.040 120.200 0.039 0.000 2.340 57 E HA 0.064 4.454 4.350 0.066 0.000 0.198 57 E C 1.964 178.604 176.600 0.068 0.000 0.961 57 E CA 2.243 58.663 56.400 0.032 0.000 0.905 57 E CB -0.284 29.384 29.700 -0.053 0.000 0.884 57 E HN -0.496 7.755 8.360 0.024 0.124 0.491 58 M N 0.509 120.137 119.600 0.047 0.000 2.325 58 M HA -0.101 4.425 4.480 0.075 0.000 0.265 58 M C 1.846 178.223 176.300 0.129 0.000 1.094 58 M CA 3.503 58.844 55.300 0.069 0.000 1.161 58 M CB 0.638 33.244 32.600 0.010 0.000 1.358 58 M HN 0.419 8.605 8.290 0.030 0.121 0.446 59 K N 0.478 120.928 120.400 0.084 0.000 2.097 59 K HA -0.283 4.075 4.320 0.063 0.000 0.206 59 K C 1.925 178.578 176.600 0.087 0.000 1.049 59 K CA 3.988 60.318 56.287 0.071 0.000 0.933 59 K CB 0.109 32.637 32.500 0.047 0.000 0.717 59 K HN 0.502 8.672 8.250 0.060 0.116 0.442 60 T N 0.961 115.580 114.554 0.109 0.000 3.014 60 T HA -0.232 4.164 4.350 0.076 0.000 0.263 60 T C 1.335 176.140 174.700 0.175 0.000 1.078 60 T CA 3.454 65.623 62.100 0.116 0.000 1.135 60 T CB -0.092 68.843 68.868 0.111 0.000 0.895 60 T HN -0.850 7.263 8.240 0.104 0.189 0.480 61 F N 3.295 123.291 119.950 0.077 0.000 2.202 61 F HA -0.321 4.369 4.527 0.271 0.000 0.301 61 F C 1.487 177.353 175.800 0.110 0.000 1.082 61 F CA 3.841 61.907 58.000 0.109 0.000 1.313 61 F CB -0.058 38.927 39.000 -0.026 0.000 1.024 61 F HN -0.052 8.224 8.300 0.306 0.208 0.495 62 V N -0.657 119.335 119.914 0.130 0.000 2.488 62 V HA -0.443 3.679 4.120 0.003 0.000 0.246 62 V C 0.844 176.932 176.094 -0.009 0.000 1.046 62 V CA 3.424 65.746 62.300 0.036 0.000 1.053 62 V CB 0.272 32.123 31.823 0.047 0.000 0.679 62 V HN -0.160 8.031 8.190 0.180 0.107 0.458 63 D N -1.299 119.107 120.400 0.011 0.000 2.277 63 D HA -0.167 4.463 4.640 -0.017 0.000 0.208 63 D C 1.230 177.504 176.300 -0.044 0.000 0.962 63 D CA 2.762 56.757 54.000 -0.009 0.000 0.865 63 D CB 0.622 41.429 40.800 0.011 0.000 0.939 63 D HN -0.501 7.778 8.370 0.046 0.118 0.510 64 Q N -3.131 116.635 119.800 -0.057 0.000 2.369 64 Q HA 0.078 4.331 4.340 -0.145 0.000 0.254 64 Q C 0.201 176.008 176.000 -0.321 0.000 0.858 64 Q CA 1.041 56.756 55.803 -0.147 0.000 0.961 64 Q CB 2.336 31.026 28.738 -0.080 0.000 1.119 64 Q HN 0.124 8.251 8.270 -0.020 0.131 0.538 65 Y N -2.579 117.506 120.300 -0.358 0.000 2.500 65 Y HA 0.189 4.530 4.550 -0.348 0.000 0.246 65 Y C 1.331 177.000 175.900 -0.384 0.000 1.146 65 Y CA -0.191 57.603 58.100 -0.510 0.000 1.230 65 Y CB 1.675 39.423 38.460 -1.188 0.000 1.214 65 Y HN -0.286 7.812 8.280 -0.124 0.108 0.526 66 G N -0.926 107.793 108.800 -0.136 0.000 2.956 66 G HA2 -0.145 3.762 3.960 -0.087 0.000 0.207 66 G HA3 -0.145 3.940 3.960 -0.064 -0.164 0.207 66 G C -0.520 174.334 174.900 -0.076 0.000 1.162 66 G CA 1.083 46.130 45.100 -0.088 0.000 0.796 66 G HN -0.548 7.593 8.290 -0.130 0.071 0.527 67 Q N -2.353 117.391 119.800 -0.092 0.000 2.023 67 Q HA 0.053 4.354 4.340 -0.064 0.000 0.211 67 Q C -0.916 175.030 176.000 -0.090 0.000 0.787 67 Q CA -0.885 54.870 55.803 -0.080 0.000 1.035 67 Q CB 0.761 29.453 28.738 -0.077 0.000 1.221 67 Q HN -0.317 7.687 8.270 -0.117 0.196 0.443 68 R N 3.085 123.529 120.500 -0.094 0.000 4.556 68 R HA -0.047 4.232 4.340 -0.101 0.000 0.197 68 R C -0.308 175.973 176.300 -0.031 0.000 1.791 68 R CA -0.910 55.145 56.100 -0.074 0.000 1.526 68 R CB -1.698 28.589 30.300 -0.023 0.000 1.410 68 R HN 0.150 8.237 8.270 -0.094 0.127 0.826 69 D N 2.257 122.633 120.400 -0.039 0.000 2.097 69 D HA -0.264 4.360 4.640 -0.028 0.000 0.197 69 D C 0.138 176.428 176.300 -0.017 0.000 0.984 69 D CA 3.833 57.816 54.000 -0.028 0.000 0.826 69 D CB 0.453 41.234 40.800 -0.032 0.000 0.973 69 D HN -0.031 8.230 8.370 -0.052 0.078 0.460 70 D N -2.079 118.311 120.400 -0.017 0.000 2.434 70 D HA 0.044 4.681 4.640 -0.005 0.000 0.232 70 D C -0.391 175.910 176.300 0.002 0.000 1.166 70 D CA -0.415 53.580 54.000 -0.009 0.000 0.830 70 D CB -0.337 40.455 40.800 -0.013 0.000 0.960 70 D HN 0.081 8.436 8.370 -0.026 0.000 0.497 71 G N -2.257 106.551 108.800 0.013 0.000 2.568 71 G HA2 0.132 4.115 3.960 0.039 0.000 0.293 71 G HA3 0.132 4.209 3.960 0.068 -0.076 0.293 71 G C -2.549 172.391 174.900 0.067 0.000 1.347 71 G CA -0.648 44.479 45.100 0.046 0.000 1.039 71 G HN -0.627 7.481 8.290 0.008 0.187 0.523 72 K N -0.948 119.522 120.400 0.116 0.000 2.592 72 K HA 0.602 5.255 4.320 0.125 -0.258 0.259 72 K C -1.575 175.158 176.600 0.223 0.000 0.937 72 K CA -0.383 55.981 56.287 0.129 0.000 0.874 72 K CB 3.089 35.617 32.500 0.047 0.000 1.339 72 K HN -0.059 8.285 8.250 0.158 0.000 0.425 73 I N -1.103 119.658 120.570 0.318 0.000 2.828 73 I HA 0.492 4.901 4.170 0.398 0.000 0.302 73 I C -2.281 174.294 176.117 0.764 0.000 1.101 73 I CA -2.344 59.228 61.300 0.453 0.000 1.031 73 I CB 3.949 42.197 38.000 0.414 0.000 1.231 73 I HN 0.402 8.773 8.210 0.269 0.000 0.427 74 G N 0.541 109.794 108.800 0.754 0.000 2.532 74 G HA2 0.398 4.832 3.960 0.789 0.000 0.291 74 G HA3 0.398 4.772 3.960 0.550 -0.084 0.291 74 G C 0.197 175.430 174.900 0.554 0.000 1.349 74 G CA -1.452 44.074 45.100 0.710 0.000 1.038 74 G HN -0.134 8.492 8.290 0.561 0.000 0.518 75 I N 0.078 120.730 120.570 0.137 0.000 2.614 75 I HA -0.355 3.876 4.170 0.103 0.000 0.258 75 I C 1.413 177.730 176.117 0.333 0.000 1.189 75 I CA 2.809 64.156 61.300 0.078 0.000 1.462 75 I CB -0.021 37.881 38.000 -0.164 0.000 1.092 75 I HN 0.046 8.254 8.210 -0.003 0.000 0.442 76 V N -0.875 119.278 119.914 0.398 0.000 2.287 76 V HA -0.452 4.222 4.120 0.923 0.000 0.248 76 V C 1.499 177.876 176.094 0.471 0.000 1.053 76 V CA 4.090 66.674 62.300 0.473 0.000 1.027 76 V CB -0.773 31.123 31.823 0.123 0.000 0.646 76 V HN -0.429 7.878 8.190 0.313 0.071 0.447 77 E N -2.782 117.659 120.200 0.401 0.000 2.230 77 E HA -0.133 4.534 4.350 0.529 0.000 0.192 77 E C 1.509 178.251 176.600 0.238 0.000 0.987 77 E CA 1.207 57.841 56.400 0.391 0.000 0.841 77 E CB 0.138 30.014 29.700 0.294 0.000 0.783 77 E HN -0.823 7.775 8.360 0.397 0.000 0.481 78 L N -1.238 120.137 121.223 0.253 0.000 2.270 78 L HA -0.022 4.092 4.340 -0.376 0.000 0.210 78 L C 1.097 178.147 176.870 0.299 0.000 1.104 78 L CA 1.409 56.325 54.840 0.128 0.000 0.804 78 L CB 0.085 42.370 42.059 0.377 0.000 0.937 78 L HN -0.774 7.666 8.230 0.400 0.030 0.450 79 A N -1.733 121.210 122.820 0.205 0.000 2.186 79 A HA -0.160 3.716 4.320 -0.740 0.000 0.219 79 A C -0.301 177.215 177.584 -0.113 0.000 1.159 79 A CA 2.520 54.354 52.037 -0.338 0.000 0.680 79 A CB -0.650 17.881 19.000 -0.782 0.000 0.787 79 A HN 0.137 8.441 8.150 0.306 0.029 0.467 80 H N -10.097 108.914 119.070 -0.099 0.000 2.923 80 H HA 0.230 4.717 4.556 -0.115 0.000 0.268 80 H C -0.437 174.863 175.328 -0.047 0.000 1.148 80 H CA -0.973 55.032 56.048 -0.071 0.000 1.146 80 H CB 0.822 30.578 29.762 -0.009 0.000 1.607 80 H HN -0.739 7.674 8.280 0.326 0.062 0.566 81 V N -0.182 119.571 119.914 -0.268 0.000 2.521 81 V HA -0.120 3.820 4.120 -0.300 0.000 0.239 81 V C -0.021 175.989 176.094 -0.141 0.000 1.053 81 V CA 1.334 63.445 62.300 -0.316 0.000 1.073 81 V CB 1.349 32.803 31.823 -0.615 0.000 0.746 81 V HN -0.380 7.527 8.190 -0.143 0.197 0.476 82 L N -1.109 120.093 121.223 -0.036 0.000 2.261 82 L HA 0.260 4.611 4.340 0.018 0.000 0.289 82 L C -2.579 174.317 176.870 0.043 0.000 1.059 82 L CA -2.481 52.398 54.840 0.065 0.000 0.816 82 L CB -0.540 41.657 42.059 0.230 0.000 1.191 82 L HN -0.056 8.175 8.230 0.002 0.000 0.431 83 P HA 0.229 4.609 4.420 -0.065 0.000 0.260 83 P C -0.417 176.810 177.300 -0.122 0.000 1.651 83 P CA -0.537 62.526 63.100 -0.061 0.000 1.139 83 P CB -1.139 30.534 31.700 -0.045 0.000 1.756 84 T N 3.596 118.017 114.554 -0.222 0.000 2.523 84 T HA -0.268 4.038 4.350 -0.250 -0.106 0.253 84 T C -0.216 174.206 174.700 -0.464 0.000 1.139 84 T CA 3.644 65.513 62.100 -0.385 0.000 1.230 84 T CB 0.581 69.023 68.868 -0.709 0.000 0.871 84 T HN -0.040 8.051 8.240 -0.226 0.014 0.396 85 E N -1.178 118.669 120.200 -0.588 0.000 2.829 85 E HA 0.193 4.334 4.350 -0.349 0.000 0.350 85 E C -0.783 175.622 176.600 -0.325 0.000 1.119 85 E CA -1.051 55.033 56.400 -0.527 0.000 0.764 85 E CB 0.457 29.557 29.700 -1.000 0.000 1.576 85 E HN 0.051 8.038 8.360 -0.621 0.000 0.379 86 E N 5.389 125.471 120.200 -0.195 0.000 2.147 86 E HA -0.396 3.881 4.350 -0.121 0.000 0.199 86 E C 0.419 176.986 176.600 -0.055 0.000 1.005 86 E CA 3.117 59.452 56.400 -0.108 0.000 0.810 86 E CB -0.051 29.611 29.700 -0.063 0.000 0.736 86 E HN 0.474 8.723 8.360 -0.186 0.000 0.460 87 N N -3.403 115.275 118.700 -0.037 0.000 2.395 87 N HA -0.056 4.679 4.740 -0.009 0.000 0.175 87 N C 2.289 177.811 175.510 0.021 0.000 1.029 87 N CA 1.740 54.787 53.050 -0.005 0.000 0.897 87 N CB 0.335 38.821 38.487 -0.002 0.000 0.991 87 N HN -0.505 8.003 8.380 -0.057 -0.163 0.441 88 F N 4.001 123.833 119.950 -0.196 0.000 2.234 88 F HA -0.179 4.184 4.527 -0.272 0.000 0.299 88 F C 0.752 176.284 175.800 -0.446 0.000 1.087 88 F CA 1.610 59.425 58.000 -0.307 0.000 1.340 88 F CB -0.211 38.628 39.000 -0.269 0.000 1.031 88 F HN 0.245 8.972 8.300 0.097 -0.369 0.500 89 L N -2.062 119.214 121.223 0.088 0.000 2.353 89 L HA -0.328 3.968 4.340 -0.073 0.000 0.220 89 L C 1.514 178.437 176.870 0.090 0.000 1.133 89 L CA 2.155 56.995 54.840 -0.001 0.000 0.798 89 L CB -0.965 41.021 42.059 -0.122 0.000 0.922 89 L HN 0.366 8.520 8.230 0.059 0.112 0.445 90 L N -0.641 120.575 121.223 -0.011 0.000 2.083 90 L HA -0.287 4.069 4.340 0.027 0.000 0.209 90 L C 1.819 178.672 176.870 -0.028 0.000 1.083 90 L CA 3.096 57.932 54.840 -0.006 0.000 0.752 90 L CB -0.919 41.131 42.059 -0.016 0.000 0.899 90 L HN -0.601 7.433 8.230 -0.035 0.175 0.433 91 L N -3.578 117.574 121.223 -0.118 0.000 2.240 91 L HA -0.210 4.144 4.340 0.024 0.000 0.211 91 L C 2.517 179.398 176.870 0.019 0.000 1.106 91 L CA 2.027 56.839 54.840 -0.047 0.000 0.793 91 L CB -0.569 41.485 42.059 -0.008 0.000 0.927 91 L HN -0.723 7.356 8.230 -0.233 0.011 0.446 92 F N 0.085 119.863 119.950 -0.286 0.000 2.293 92 F HA -0.214 4.274 4.527 -0.065 0.000 0.300 92 F C 1.591 177.299 175.800 -0.153 0.000 1.086 92 F CA 2.361 60.258 58.000 -0.173 0.000 1.375 92 F CB 0.475 39.353 39.000 -0.203 0.000 1.045 92 F HN -0.919 7.187 8.300 -0.154 0.101 0.516 93 R N -3.504 116.937 120.500 -0.098 0.000 2.307 93 R HA -0.078 4.243 4.340 -0.369 -0.202 0.199 93 R C -0.443 175.758 176.300 -0.166 0.000 1.000 93 R CA -0.422 55.566 56.100 -0.188 0.000 1.023 93 R CB -1.855 28.417 30.300 -0.046 0.000 0.908 93 R HN 0.417 8.500 8.270 0.080 0.235 0.473 94 C N -3.296 115.930 119.300 -0.124 0.000 2.495 94 C HA -0.060 4.373 4.460 -0.045 0.000 0.275 94 C C 2.212 177.090 174.990 -0.188 0.000 1.392 94 C CA 1.347 60.321 59.018 -0.072 0.000 1.766 94 C CB -0.204 27.553 27.740 0.029 0.000 1.933 94 C HN -0.341 7.687 8.230 -0.092 0.147 0.519 95 Q N -1.176 118.355 119.800 -0.448 0.000 2.436 95 Q HA -0.212 3.102 4.340 -1.710 0.000 0.209 95 Q C -0.005 175.639 176.000 -0.592 0.000 0.965 95 Q CA 2.668 57.842 55.803 -1.048 0.000 0.910 95 Q CB -0.373 27.682 28.738 -1.138 0.000 0.980 95 Q HN -0.571 7.346 8.270 -0.374 0.129 0.491 96 Q N -4.867 114.730 119.800 -0.340 0.000 2.089 96 Q HA 0.229 4.498 4.340 -0.118 0.000 0.248 96 Q C -0.778 175.164 176.000 -0.097 0.000 0.828 96 Q CA -1.302 54.387 55.803 -0.190 0.000 1.102 96 Q CB -0.835 27.756 28.738 -0.245 0.000 1.221 96 Q HN -0.301 7.645 8.270 -0.335 0.123 0.455 97 L N -4.416 116.771 121.223 -0.060 0.000 2.465 97 L HA -0.006 4.315 4.340 -0.031 0.000 0.224 97 L C 0.350 177.228 176.870 0.014 0.000 1.145 97 L CA 2.224 57.055 54.840 -0.016 0.000 0.834 97 L CB 0.219 42.280 42.059 0.003 0.000 0.944 97 L HN -0.531 7.550 8.230 -0.072 0.106 0.451 98 K N -2.261 118.159 120.400 0.033 0.000 3.056 98 K HA 0.016 4.354 4.320 0.029 0.000 0.231 98 K C -0.677 175.956 176.600 0.054 0.000 2.020 98 K CA 0.124 56.437 56.287 0.043 0.000 1.343 98 K CB 1.638 34.173 32.500 0.058 0.000 2.325 98 K HN 0.150 8.366 8.250 0.037 0.056 0.513 99 S N -2.266 113.494 115.700 0.099 0.000 2.732 99 S HA 0.247 4.770 4.470 0.087 0.000 0.293 99 S C -0.994 173.748 174.600 0.236 0.000 1.159 99 S CA -1.072 57.202 58.200 0.123 0.000 0.847 99 S CB 2.462 65.725 63.200 0.105 0.000 1.169 99 S HN -0.314 8.075 8.310 0.132 0.000 0.501 100 C N -1.837 117.610 119.300 0.245 0.000 2.754 100 C HA 0.297 5.124 4.460 0.611 0.000 0.276 100 C C -0.443 174.722 174.990 0.291 0.000 1.264 100 C CA 0.142 59.396 59.018 0.394 0.000 1.700 100 C CB 0.460 28.335 27.740 0.225 0.000 1.885 100 C HN 0.397 8.729 8.230 0.171 0.000 0.607 101 E N -1.965 118.328 120.200 0.155 0.000 2.441 101 E HA 0.120 4.441 4.350 -0.048 0.000 0.207 101 E C 0.367 176.919 176.600 -0.081 0.000 0.803 101 E CA 1.079 57.490 56.400 0.019 0.000 1.240 101 E CB 0.266 30.031 29.700 0.109 0.000 1.233 101 E HN -0.207 8.172 8.360 0.193 0.097 0.590 102 E N -0.201 120.015 120.200 0.026 0.000 2.274 102 E HA -0.269 4.077 4.350 -0.007 0.000 0.194 102 E C 1.497 178.123 176.600 0.043 0.000 0.996 102 E CA 2.443 58.859 56.400 0.026 0.000 0.840 102 E CB 0.153 29.889 29.700 0.059 0.000 0.772 102 E HN -0.322 8.094 8.360 0.094 0.000 0.491 103 F N -3.896 116.087 119.950 0.055 0.000 2.407 103 F HA 0.028 4.592 4.527 0.061 0.000 0.299 103 F C 0.515 176.385 175.800 0.117 0.000 1.097 103 F CA 1.250 59.294 58.000 0.072 0.000 1.422 103 F CB -0.667 38.374 39.000 0.069 0.000 1.067 103 F HN -0.572 7.857 8.300 0.258 0.025 0.539 104 M N -0.502 118.640 119.600 -0.763 0.000 2.296 104 M HA -0.399 3.794 4.480 -0.480 0.000 0.265 104 M C 1.660 177.957 176.300 -0.005 0.000 1.064 104 M CA 3.253 58.258 55.300 -0.492 0.000 1.109 104 M CB -0.255 32.025 32.600 -0.534 0.000 1.396 104 M HN -0.662 6.980 8.290 -0.823 0.154 0.430 105 K N -1.015 119.351 120.400 -0.057 0.000 2.147 105 K HA -0.255 4.234 4.320 -0.028 -0.185 0.205 105 K C 2.434 178.976 176.600 -0.097 0.000 1.049 105 K CA 3.274 59.538 56.287 -0.039 0.000 0.936 105 K CB -0.306 32.182 32.500 -0.021 0.000 0.722 105 K HN -0.615 7.448 8.250 -0.104 0.125 0.446 106 T N 0.716 115.240 114.554 -0.051 0.000 2.812 106 T HA -0.255 4.002 4.350 -0.154 0.000 0.264 106 T C 2.162 176.639 174.700 -0.372 0.000 1.042 106 T CA 4.534 66.568 62.100 -0.109 0.000 1.140 106 T CB -0.336 68.579 68.868 0.079 0.000 0.870 106 T HN -0.523 7.599 8.240 0.007 0.122 0.445 107 W N 1.448 122.564 121.300 -0.307 0.000 2.374 107 W HA -0.143 4.373 4.660 -0.241 0.000 0.288 107 W C 0.508 176.680 176.519 -0.577 0.000 1.218 107 W CA 2.216 59.413 57.345 -0.247 0.000 1.245 107 W CB -0.991 28.579 29.460 0.183 0.000 1.126 107 W HN -0.130 8.038 8.180 0.184 0.123 0.545 108 R N -0.932 118.972 120.500 -0.993 0.000 2.276 108 R HA -0.013 3.466 4.340 -1.434 0.000 0.196 108 R C 1.597 177.178 176.300 -1.199 0.000 0.961 108 R CA 0.857 56.236 56.100 -1.202 0.000 1.024 108 R CB -1.126 28.667 30.300 -0.845 0.000 0.940 108 R HN -0.573 7.410 8.270 -0.445 0.020 0.480 109 K N 1.233 120.987 120.400 -1.077 0.000 2.113 109 K HA -0.272 3.789 4.320 -0.430 0.000 0.208 109 K C 1.399 177.712 176.600 -0.479 0.000 1.047 109 K CA 3.165 59.042 56.287 -0.684 0.000 0.928 109 K CB -0.316 31.858 32.500 -0.542 0.000 0.716 109 K HN -0.288 7.135 8.250 -1.072 0.183 0.446 110 Y N -7.487 112.664 120.300 -0.250 0.000 2.448 110 Y HA -0.089 4.394 4.550 -0.112 0.000 0.289 110 Y C 0.160 175.977 175.900 -0.140 0.000 1.114 110 Y CA -1.453 56.549 58.100 -0.164 0.000 1.235 110 Y CB -0.169 38.191 38.460 -0.167 0.000 1.045 110 Y HN -0.710 6.457 8.280 -1.793 0.037 0.554 111 D N -0.414 119.886 120.400 -0.167 0.000 2.358 111 D HA -0.082 4.542 4.640 -0.027 0.000 0.258 111 D C 1.305 177.578 176.300 -0.045 0.000 1.223 111 D CA 0.828 54.757 54.000 -0.119 0.000 0.886 111 D CB 0.631 41.270 40.800 -0.270 0.000 1.120 111 D HN -0.642 7.297 8.370 -0.462 0.154 0.482 112 T N 7.750 122.289 114.554 -0.025 0.000 5.951 112 T HA -0.479 3.857 4.350 -0.024 0.000 0.211 112 T C 0.008 174.682 174.700 -0.044 0.000 1.678 112 T CA 3.573 65.654 62.100 -0.033 0.000 1.334 112 T CB -0.599 68.239 68.868 -0.050 0.000 1.503 112 T HN 0.272 8.727 8.240 -0.011 -0.222 0.582 113 D N 0.934 121.292 120.400 -0.070 0.000 2.602 113 D HA 0.032 4.559 4.640 -0.187 0.000 0.265 113 D C -1.075 175.121 176.300 -0.174 0.000 1.454 113 D CA -0.759 53.145 54.000 -0.160 0.000 0.795 113 D CB 1.998 42.685 40.800 -0.188 0.000 1.140 113 D HN -0.171 8.155 8.370 -0.074 0.000 0.486 114 H N -1.810 117.114 119.070 -0.243 0.000 3.113 114 H HA -0.302 4.124 4.556 -0.298 -0.048 0.358 114 H C -1.151 174.004 175.328 -0.289 0.000 1.239 114 H CA 0.634 56.521 56.048 -0.269 0.000 1.199 114 H CB -2.139 27.487 29.762 -0.227 0.000 1.577 114 H HN 0.358 8.491 8.280 0.087 0.200 0.430 115 S N -0.484 115.084 115.700 -0.221 0.000 2.489 115 S HA -0.124 4.171 4.470 -0.291 0.000 0.228 115 S C 0.415 174.639 174.600 -0.627 0.000 0.995 115 S CA 1.403 59.385 58.200 -0.363 0.000 0.934 115 S CB 0.954 63.956 63.200 -0.329 0.000 0.771 115 S HN 0.489 9.219 8.310 -0.217 -0.550 0.522 116 G N -2.665 105.855 108.800 -0.466 0.000 2.184 116 G HA2 -0.227 3.705 3.960 -0.047 0.000 0.206 116 G HA3 -0.227 3.650 3.960 -0.476 -0.203 0.206 116 G C -1.723 173.119 174.900 -0.096 0.000 0.995 116 G CA -0.104 44.797 45.100 -0.333 0.000 0.651 116 G HN -0.011 8.032 8.290 -0.344 0.041 0.511 117 F N -5.710 114.288 119.950 0.080 0.000 2.680 117 F HA 0.342 5.098 4.527 0.324 -0.034 0.315 117 F C -2.465 173.282 175.800 -0.087 0.000 1.099 117 F CA -2.205 55.881 58.000 0.143 0.000 1.033 117 F CB 1.871 40.999 39.000 0.213 0.000 1.285 117 F HN -1.109 6.794 8.300 -0.530 0.080 0.457 118 I N -0.883 119.698 120.570 0.018 0.000 2.662 118 I HA 0.198 4.544 4.170 -0.089 -0.230 0.291 118 I C 0.249 176.429 176.117 0.105 0.000 1.046 118 I CA -2.268 59.018 61.300 -0.023 0.000 1.361 118 I CB 0.014 38.016 38.000 0.004 0.000 1.429 118 I HN 0.299 8.570 8.210 0.102 0.000 0.558 119 E N 3.726 123.968 120.200 0.069 0.000 3.751 119 E HA 0.171 4.574 4.350 0.089 0.000 0.281 119 E C 1.460 178.077 176.600 0.028 0.000 1.086 119 E CA 0.026 56.465 56.400 0.064 0.000 1.579 119 E CB 1.513 31.244 29.700 0.051 0.000 1.666 119 E HN -0.009 8.375 8.360 0.041 0.000 0.655 120 T N 0.957 115.517 114.554 0.010 0.000 2.706 120 T HA -0.196 4.197 4.350 -0.018 -0.054 0.255 120 T C 1.992 176.687 174.700 -0.008 0.000 1.048 120 T CA 4.016 66.111 62.100 -0.009 0.000 1.153 120 T CB 0.083 68.941 68.868 -0.016 0.000 0.865 120 T HN 0.362 8.611 8.240 0.015 0.000 0.414 121 E N -0.240 119.959 120.200 -0.003 0.000 2.204 121 E HA -0.214 4.130 4.350 -0.010 0.000 0.195 121 E C 1.056 177.657 176.600 0.003 0.000 0.990 121 E CA 2.705 59.103 56.400 -0.004 0.000 0.821 121 E CB -0.944 28.754 29.700 -0.003 0.000 0.750 121 E HN 0.331 8.690 8.360 -0.000 0.000 0.477 122 E N -3.781 116.428 120.200 0.015 0.000 2.107 122 E HA -0.124 4.243 4.350 0.029 0.000 0.191 122 E C 1.446 178.083 176.600 0.061 0.000 0.982 122 E CA 2.057 58.478 56.400 0.035 0.000 0.809 122 E CB -0.069 29.653 29.700 0.036 0.000 0.756 122 E HN -0.074 8.254 8.360 0.014 0.041 0.459 123 L N 0.470 121.723 121.223 0.050 0.000 2.179 123 L HA -0.128 4.325 4.340 0.188 0.000 0.208 123 L C 1.335 178.198 176.870 -0.011 0.000 1.096 123 L CA 1.712 56.580 54.840 0.047 0.000 0.779 123 L CB -0.693 41.342 42.059 -0.041 0.000 0.922 123 L HN -0.051 8.092 8.230 0.029 0.105 0.443 124 K N -4.143 116.241 120.400 -0.026 0.000 2.585 124 K HA -0.207 4.081 4.320 -0.052 0.000 0.194 124 K C 0.412 176.998 176.600 -0.022 0.000 1.037 124 K CA 1.947 58.214 56.287 -0.033 0.000 0.964 124 K CB -0.616 31.866 32.500 -0.029 0.000 0.787 124 K HN 0.401 8.528 8.250 -0.019 0.111 0.488 125 N N -3.273 115.417 118.700 -0.017 0.000 2.460 125 N HA -0.038 4.678 4.740 -0.041 0.000 0.193 125 N C 0.923 176.359 175.510 -0.124 0.000 1.080 125 N CA 0.553 53.576 53.050 -0.045 0.000 0.869 125 N CB 0.990 39.461 38.487 -0.027 0.000 1.201 125 N HN -0.880 7.357 8.380 0.001 0.143 0.457 126 F N 3.365 123.093 119.950 -0.370 0.000 2.063 126 F HA -0.449 3.118 4.527 -1.600 0.000 0.298 126 F C 0.992 176.479 175.800 -0.522 0.000 1.105 126 F CA 3.409 60.954 58.000 -0.759 0.000 1.215 126 F CB 0.014 38.771 39.000 -0.404 0.000 0.972 126 F HN -0.077 8.034 8.300 0.027 0.205 0.483 127 L N -5.622 115.695 121.223 0.156 0.000 2.131 127 L HA -0.291 4.222 4.340 0.288 0.000 0.210 127 L C 1.447 178.321 176.870 0.007 0.000 1.092 127 L CA 3.290 58.214 54.840 0.139 0.000 0.759 127 L CB -2.130 39.976 42.059 0.079 0.000 0.903 127 L HN -0.451 7.843 8.230 0.116 0.006 0.435 128 K N 0.112 120.482 120.400 -0.050 0.000 2.057 128 K HA -0.437 3.870 4.320 -0.022 0.000 0.207 128 K C 2.374 178.933 176.600 -0.069 0.000 1.049 128 K CA 3.878 60.136 56.287 -0.049 0.000 0.931 128 K CB -0.593 31.878 32.500 -0.049 0.000 0.714 128 K HN -0.368 7.687 8.250 -0.064 0.156 0.440 129 D N -0.893 119.420 120.400 -0.144 0.000 2.104 129 D HA -0.240 4.359 4.640 -0.069 0.000 0.194 129 D C 2.451 178.701 176.300 -0.084 0.000 0.994 129 D CA 2.963 56.885 54.000 -0.131 0.000 0.830 129 D CB 0.109 40.764 40.800 -0.243 0.000 0.959 129 D HN -0.742 7.497 8.370 -0.219 0.000 0.452 130 L N -0.914 120.248 121.223 -0.102 0.000 2.131 130 L HA -0.264 4.075 4.340 -0.002 0.000 0.210 130 L C 2.163 179.044 176.870 0.017 0.000 1.092 130 L CA 2.687 57.523 54.840 -0.007 0.000 0.759 130 L CB -0.651 41.459 42.059 0.085 0.000 0.903 130 L HN -0.481 7.573 8.230 -0.190 0.061 0.435 131 L N -2.519 118.710 121.223 0.010 0.000 2.141 131 L HA -0.338 4.012 4.340 0.017 0.000 0.209 131 L C 1.948 178.820 176.870 0.003 0.000 1.094 131 L CA 3.461 58.307 54.840 0.010 0.000 0.763 131 L CB -0.639 41.424 42.059 0.008 0.000 0.908 131 L HN 0.493 8.507 8.230 -0.002 0.215 0.437 132 E N -4.724 115.474 120.200 -0.003 0.000 2.502 132 E HA -0.139 4.212 4.350 0.000 0.000 0.194 132 E C 0.668 177.270 176.600 0.004 0.000 1.062 132 E CA 1.321 57.721 56.400 -0.001 0.000 0.867 132 E CB -0.363 29.334 29.700 -0.005 0.000 0.888 132 E HN -0.581 7.636 8.360 -0.012 0.135 0.510 133 K N -2.720 117.685 120.400 0.007 0.000 2.436 133 K HA 0.102 4.429 4.320 0.012 0.000 0.198 133 K C 0.688 177.296 176.600 0.013 0.000 1.174 133 K CA 0.227 56.521 56.287 0.013 0.000 0.951 133 K CB 1.315 33.826 32.500 0.019 0.000 1.040 133 K HN -0.416 7.629 8.250 0.007 0.209 0.536 134 A N -0.440 122.388 122.820 0.013 0.000 2.178 134 A HA -0.215 4.110 4.320 0.010 0.000 0.218 134 A C -0.513 177.075 177.584 0.006 0.000 1.157 134 A CA 1.254 53.296 52.037 0.009 0.000 0.689 134 A CB 0.093 19.096 19.000 0.005 0.000 0.787 134 A HN -0.137 8.022 8.150 0.014 0.000 0.465 135 N N -6.809 111.895 118.700 0.006 0.000 2.782 135 N HA -0.307 4.437 4.740 0.006 0.000 0.251 135 N C -0.593 174.919 175.510 0.004 0.000 1.101 135 N CA 1.438 54.491 53.050 0.006 0.000 0.764 135 N CB -0.941 37.550 38.487 0.006 0.000 1.122 135 N HN 0.328 8.642 8.380 0.007 0.070 0.561 136 K N -3.500 116.903 120.400 0.004 0.000 2.469 136 K HA 0.162 4.484 4.320 0.003 0.000 0.228 136 K C 0.159 176.761 176.600 0.004 0.000 1.266 136 K CA 0.733 57.022 56.287 0.003 0.000 0.775 136 K CB 0.872 33.374 32.500 0.002 0.000 1.582 136 K HN 0.022 8.220 8.250 0.004 0.055 0.415 137 T N -3.035 111.522 114.554 0.005 0.000 5.083 137 T HA -0.215 4.138 4.350 0.005 0.000 0.268 137 T C -1.818 172.888 174.700 0.009 0.000 2.118 137 T CA 0.402 62.505 62.100 0.006 0.000 3.302 137 T CB 0.980 69.851 68.868 0.006 0.000 0.485 137 T HN -0.168 8.075 8.240 0.005 0.000 0.712 138 V N -0.358 119.561 119.914 0.008 0.000 5.842 138 V HA -0.342 3.782 4.120 0.007 0.000 0.251 138 V C -1.023 175.083 176.094 0.020 0.000 0.667 138 V CA 0.303 62.609 62.300 0.010 0.000 0.844 138 V CB -0.973 30.855 31.823 0.009 0.000 0.924 138 V HN -0.159 8.034 8.190 0.006 0.000 0.443 139 D N 2.928 123.342 120.400 0.022 0.000 2.383 139 D HA -0.225 4.426 4.640 0.018 0.000 0.233 139 D C 0.653 176.973 176.300 0.034 0.000 1.233 139 D CA 0.699 54.713 54.000 0.024 0.000 0.881 139 D CB 1.463 42.276 40.800 0.021 0.000 1.212 139 D HN -0.181 8.200 8.370 0.019 0.000 0.467 140 D N 1.565 121.982 120.400 0.028 0.000 2.149 140 D HA -0.342 4.314 4.640 0.027 0.000 0.194 140 D C 1.639 177.967 176.300 0.048 0.000 1.001 140 D CA 3.420 57.438 54.000 0.030 0.000 0.849 140 D CB 0.052 40.864 40.800 0.020 0.000 0.939 140 D HN 0.393 8.775 8.370 0.021 0.000 0.449 141 T N -2.115 112.470 114.554 0.052 0.000 3.163 141 T HA -0.163 4.227 4.350 0.068 0.000 0.260 141 T C 0.440 175.228 174.700 0.147 0.000 1.156 141 T CA 2.249 64.392 62.100 0.071 0.000 1.072 141 T CB -0.191 68.700 68.868 0.038 0.000 0.937 141 T HN -0.165 8.443 8.240 0.039 -0.345 0.528 142 K N -1.530 118.955 120.400 0.143 0.000 2.225 142 K HA 0.220 4.818 4.320 0.463 0.000 0.204 142 K C 1.896 178.562 176.600 0.111 0.000 1.047 142 K CA 0.649 57.058 56.287 0.204 0.000 0.970 142 K CB 0.789 33.347 32.500 0.097 0.000 0.939 142 K HN -0.102 8.008 8.250 0.091 0.194 0.472 143 L N -0.956 120.313 121.223 0.077 0.000 1.994 143 L HA -0.155 4.252 4.340 0.112 0.000 0.208 143 L C 2.147 179.040 176.870 0.039 0.000 1.071 143 L CA 3.884 58.765 54.840 0.067 0.000 0.745 143 L CB -1.140 40.944 42.059 0.042 0.000 0.892 143 L HN 0.410 8.571 8.230 0.066 0.109 0.431 144 A N -0.538 122.306 122.820 0.041 0.000 1.872 144 A HA -0.249 4.061 4.320 -0.016 0.000 0.214 144 A C 2.063 179.668 177.584 0.035 0.000 1.187 144 A CA 3.198 55.245 52.037 0.017 0.000 0.614 144 A CB -0.852 18.159 19.000 0.019 0.000 0.826 144 A HN 0.157 8.338 8.150 0.053 0.000 0.442 145 E N -1.663 118.604 120.200 0.112 0.000 2.118 145 E HA -0.334 4.087 4.350 0.119 0.000 0.195 145 E C 2.406 179.148 176.600 0.236 0.000 0.992 145 E CA 2.847 59.365 56.400 0.195 0.000 0.804 145 E CB -0.490 29.388 29.700 0.296 0.000 0.741 145 E HN -0.062 8.372 8.360 0.123 0.000 0.458 146 Y N 0.501 120.735 120.300 -0.109 0.000 2.269 146 Y HA -0.181 4.095 4.550 -0.457 0.000 0.294 146 Y C 1.635 177.348 175.900 -0.312 0.000 1.120 146 Y CA 2.717 60.513 58.100 -0.507 0.000 1.159 146 Y CB 0.208 37.948 38.460 -1.201 0.000 1.024 146 Y HN -0.135 8.202 8.280 0.122 0.017 0.532 147 T N 2.373 116.704 114.554 -0.372 0.000 2.759 147 T HA -0.445 3.524 4.350 -0.635 0.000 0.269 147 T C 1.566 176.091 174.700 -0.293 0.000 1.042 147 T CA 6.162 68.016 62.100 -0.410 0.000 1.140 147 T CB -0.455 68.279 68.868 -0.224 0.000 0.864 147 T HN 0.390 8.414 8.240 -0.170 0.114 0.455 148 D N 0.628 120.926 120.400 -0.170 0.000 2.123 148 D HA -0.159 4.409 4.640 -0.120 0.000 0.200 148 D C 1.896 178.122 176.300 -0.122 0.000 0.976 148 D CA 3.260 57.192 54.000 -0.114 0.000 0.831 148 D CB 0.340 41.109 40.800 -0.052 0.000 0.974 148 D HN 0.015 8.299 8.370 -0.124 0.012 0.469 149 L N -3.209 117.950 121.223 -0.107 0.000 2.217 149 L HA -0.070 4.209 4.340 -0.102 0.000 0.211 149 L C 1.759 178.523 176.870 -0.177 0.000 1.107 149 L CA 2.972 57.750 54.840 -0.103 0.000 0.783 149 L CB -1.328 40.724 42.059 -0.012 0.000 0.919 149 L HN -0.689 7.412 8.230 -0.084 0.080 0.442 150 M N -0.450 119.000 119.600 -0.250 0.000 2.077 150 M HA -0.334 4.020 4.480 -0.209 0.000 0.261 150 M C 2.428 178.629 176.300 -0.165 0.000 1.070 150 M CA 2.941 58.087 55.300 -0.257 0.000 1.125 150 M CB -0.896 31.438 32.600 -0.443 0.000 1.339 150 M HN -0.596 7.479 8.290 -0.302 0.034 0.409 151 L N -4.454 116.662 121.223 -0.180 0.000 2.456 151 L HA -0.189 4.219 4.340 -0.106 -0.131 0.224 151 L C 0.188 176.989 176.870 -0.115 0.000 1.148 151 L CA 1.817 56.579 54.840 -0.130 0.000 0.825 151 L CB -0.144 41.836 42.059 -0.131 0.000 0.937 151 L HN -0.574 7.522 8.230 -0.223 0.000 0.450 152 K N -3.047 117.278 120.400 -0.126 0.000 2.312 152 K HA 0.058 4.314 4.320 -0.105 0.000 0.206 152 K C 2.473 178.980 176.600 -0.155 0.000 1.121 152 K CA 0.671 56.884 56.287 -0.122 0.000 0.923 152 K CB 0.450 32.890 32.500 -0.101 0.000 1.162 152 K HN -0.834 7.126 8.250 -0.143 0.204 0.478 153 L N -1.049 120.031 121.223 -0.238 0.000 2.549 153 L HA -0.200 3.840 4.340 -0.499 0.000 0.229 153 L C -0.154 176.639 176.870 -0.128 0.000 1.158 153 L CA 1.542 56.137 54.840 -0.408 0.000 0.842 153 L CB -0.606 41.025 42.059 -0.713 0.000 0.952 153 L HN 0.017 8.107 8.230 -0.232 0.000 0.452 154 F N -4.384 115.430 119.950 -0.227 0.000 2.875 154 F HA 0.051 4.496 4.527 -0.137 0.000 0.334 154 F C -2.310 173.415 175.800 -0.124 0.000 1.228 154 F CA -1.722 56.184 58.000 -0.158 0.000 1.094 154 F CB 1.643 40.549 39.000 -0.157 0.000 1.239 154 F HN -0.793 7.330 8.300 -0.059 0.142 0.509 155 D N 2.350 122.619 120.400 -0.219 0.000 2.434 155 D HA 0.033 4.471 4.640 -0.337 0.000 0.252 155 D C -0.080 176.007 176.300 -0.355 0.000 1.185 155 D CA 0.957 54.787 54.000 -0.284 0.000 0.886 155 D CB 0.753 41.448 40.800 -0.174 0.000 1.148 155 D HN -0.484 7.675 8.370 -0.134 0.131 0.483 156 S N 4.094 119.505 115.700 -0.481 0.000 2.470 156 S HA -0.120 4.076 4.470 -0.456 0.000 0.225 156 S C -0.154 174.278 174.600 -0.280 0.000 1.006 156 S CA 1.478 59.399 58.200 -0.464 0.000 0.934 156 S CB 0.881 63.719 63.200 -0.603 0.000 0.778 156 S HN 0.090 8.110 8.310 -0.483 0.000 0.517 157 N N -1.117 117.435 118.700 -0.248 0.000 2.217 157 N HA 0.094 4.755 4.740 -0.132 0.000 0.239 157 N C -1.735 173.699 175.510 -0.126 0.000 1.330 157 N CA -0.678 52.273 53.050 -0.165 0.000 0.838 157 N CB 1.697 40.082 38.487 -0.171 0.000 1.287 157 N HN -0.692 7.696 8.380 -0.297 -0.185 0.498 158 N N -1.941 116.680 118.700 -0.131 0.000 2.696 158 N HA -0.343 4.572 4.740 -0.105 -0.238 0.256 158 N C -1.575 173.886 175.510 -0.082 0.000 1.031 158 N CA 1.367 54.360 53.050 -0.095 0.000 0.730 158 N CB -1.768 36.681 38.487 -0.065 0.000 0.894 158 N HN -0.207 8.190 8.380 -0.166 -0.117 0.544 159 D N -0.199 120.142 120.400 -0.098 0.000 2.441 159 D HA 0.050 4.655 4.640 -0.057 0.000 0.210 159 D C -0.050 176.216 176.300 -0.058 0.000 1.102 159 D CA -0.975 52.981 54.000 -0.073 0.000 0.840 159 D CB 1.099 41.848 40.800 -0.085 0.000 0.990 159 D HN -0.553 8.203 8.370 -0.124 -0.460 0.505 160 G N 0.100 108.859 108.800 -0.069 0.000 2.248 160 G HA2 -0.430 3.497 3.960 -0.064 0.000 0.252 160 G HA3 -0.430 3.504 3.960 -0.044 0.000 0.252 160 G C -2.028 172.842 174.900 -0.049 0.000 1.085 160 G CA 0.604 45.670 45.100 -0.057 0.000 0.845 160 G HN 0.497 9.246 8.290 -0.089 -0.512 0.494 161 K N -3.261 117.101 120.400 -0.064 0.000 2.399 161 K HA 0.366 4.687 4.320 0.001 0.000 0.260 161 K C -2.607 173.980 176.600 -0.021 0.000 1.049 161 K CA -2.264 54.009 56.287 -0.023 0.000 0.890 161 K CB 2.683 35.183 32.500 -0.001 0.000 1.430 161 K HN -0.687 7.718 8.250 -0.096 -0.212 0.459 162 L N -0.296 120.982 121.223 0.092 0.000 2.376 162 L HA 0.439 4.821 4.340 0.069 0.000 0.275 162 L C -2.012 175.139 176.870 0.469 0.000 0.987 162 L CA -0.767 54.191 54.840 0.197 0.000 0.828 162 L CB 3.139 45.318 42.059 0.200 0.000 1.249 162 L HN 0.626 8.841 8.230 0.137 0.098 0.409 163 E N 4.980 125.359 120.200 0.298 0.000 2.390 163 E HA 0.198 4.998 4.350 0.749 0.000 0.249 163 E C -0.217 176.522 176.600 0.232 0.000 0.981 163 E CA -1.508 55.109 56.400 0.362 0.000 0.860 163 E CB 2.707 32.346 29.700 -0.102 0.000 1.278 163 E HN 0.178 8.601 8.360 0.105 0.000 0.416 164 L N -0.987 120.274 121.223 0.063 0.000 1.950 164 L HA -0.138 3.720 4.340 -0.803 0.000 0.210 164 L C 1.666 178.369 176.870 -0.278 0.000 1.079 164 L CA 3.865 58.486 54.840 -0.365 0.000 0.754 164 L CB 0.295 42.080 42.059 -0.457 0.000 0.889 164 L HN 0.433 8.815 8.230 0.253 0.000 0.433 165 T N -4.718 109.441 114.554 -0.658 0.000 3.865 165 T HA -0.369 3.535 4.350 -0.581 0.098 0.259 165 T C -0.872 173.145 174.700 -1.138 0.000 1.143 165 T CA 1.820 63.267 62.100 -1.087 0.000 0.975 165 T CB -1.295 66.901 68.868 -1.121 0.000 1.058 165 T HN 0.148 8.096 8.240 -0.486 0.000 0.599 166 E N 0.236 120.130 120.200 -0.512 0.000 2.357 166 E HA 0.042 4.175 4.350 -0.362 0.000 0.202 166 E C 1.389 177.878 176.600 -0.184 0.000 0.855 166 E CA 1.260 57.500 56.400 -0.267 0.000 1.048 166 E CB 1.161 30.814 29.700 -0.079 0.000 1.037 166 E HN -0.069 8.031 8.360 -0.258 0.105 0.499 167 M N -1.362 118.168 119.600 -0.116 0.000 2.296 167 M HA 0.045 4.496 4.480 -0.048 0.000 0.265 167 M C 0.465 176.748 176.300 -0.029 0.000 1.064 167 M CA 2.989 58.264 55.300 -0.042 0.000 1.109 167 M CB 0.424 33.072 32.600 0.081 0.000 1.396 167 M HN -0.398 7.843 8.290 -0.083 0.000 0.430 168 A N -3.259 119.502 122.820 -0.098 0.000 2.275 168 A HA 0.157 4.526 4.320 0.082 0.000 0.212 168 A C 0.505 178.022 177.584 -0.113 0.000 1.201 168 A CA 0.431 52.428 52.037 -0.068 0.000 0.843 168 A CB 0.578 19.483 19.000 -0.157 0.000 0.873 168 A HN 0.302 8.289 8.150 -0.187 0.052 0.492 169 R N -2.495 117.874 120.500 -0.218 0.000 2.254 169 R HA 0.025 4.182 4.340 -0.306 0.000 0.193 169 R C 0.997 177.220 176.300 -0.128 0.000 0.929 169 R CA 1.888 57.807 56.100 -0.301 0.000 1.038 169 R CB 0.895 30.906 30.300 -0.482 0.000 1.009 169 R HN -0.162 7.739 8.270 -0.240 0.224 0.512 170 L N -1.233 119.938 121.223 -0.086 0.000 2.612 170 L HA -0.148 4.264 4.340 0.120 0.000 0.230 170 L C -1.561 175.206 176.870 -0.172 0.000 1.140 170 L CA 0.785 55.630 54.840 0.009 0.000 0.896 170 L CB -0.263 41.883 42.059 0.144 0.000 1.065 170 L HN -0.037 7.927 8.230 -0.124 0.192 0.447 171 L N -7.079 114.068 121.223 -0.126 0.000 2.343 171 L HA 0.443 4.546 4.340 -0.395 0.000 0.275 171 L C -1.768 175.062 176.870 -0.067 0.000 1.056 171 L CA -4.744 49.990 54.840 -0.177 0.000 0.804 171 L CB -0.459 41.602 42.059 0.003 0.000 1.203 171 L HN -0.839 7.234 8.230 -0.055 0.124 0.440 172 P HA 0.031 4.445 4.420 -0.009 0.000 0.261 172 P C -0.612 176.727 177.300 0.066 0.000 1.203 172 P CA -0.191 62.894 63.100 -0.026 0.000 0.767 172 P CB 0.297 31.960 31.700 -0.061 0.000 0.785 173 V N -1.481 118.503 119.914 0.116 0.000 2.149 173 V HA 0.089 4.417 4.120 0.101 -0.148 0.245 173 V C -1.027 175.119 176.094 0.087 0.000 1.349 173 V CA -0.191 62.175 62.300 0.110 0.000 1.289 173 V CB -1.603 30.283 31.823 0.105 0.000 1.401 173 V HN 0.237 8.512 8.190 0.142 0.000 0.501 174 Q N 7.269 127.116 119.800 0.077 0.000 2.435 174 Q HA 0.162 4.541 4.340 0.066 0.000 0.180 174 Q C 0.411 176.448 176.000 0.062 0.000 0.699 174 Q CA 0.195 56.038 55.803 0.066 0.000 0.805 174 Q CB 2.327 31.099 28.738 0.057 0.000 1.157 174 Q HN -0.023 8.268 8.270 0.081 0.028 0.570 175 E N -1.574 118.665 120.200 0.065 0.000 2.496 175 E HA 0.119 4.490 4.350 0.034 0.000 0.200 175 E C -1.105 175.553 176.600 0.097 0.000 1.016 175 E CA -1.371 55.061 56.400 0.053 0.000 0.962 175 E CB 0.711 30.431 29.700 0.033 0.000 1.071 175 E HN -0.463 7.940 8.360 0.071 0.000 0.457 176 N N -1.763 117.014 118.700 0.128 0.000 2.483 176 N HA -0.065 4.817 4.740 0.237 0.000 0.269 176 N C -0.707 174.970 175.510 0.278 0.000 1.209 176 N CA -0.592 52.562 53.050 0.174 0.000 0.969 176 N CB 1.030 39.568 38.487 0.085 0.000 1.173 176 N HN -0.206 8.127 8.380 0.103 0.110 0.475 177 F N -5.259 114.801 119.950 0.185 0.000 2.678 177 F HA 0.353 5.234 4.527 0.589 0.000 0.305 177 F C 0.151 176.194 175.800 0.405 0.000 1.090 177 F CA -0.834 57.436 58.000 0.450 0.000 1.272 177 F CB 0.601 39.929 39.000 0.547 0.000 1.060 177 F HN -0.078 8.365 8.300 0.239 0.000 0.576 178 L N -1.534 119.568 121.223 -0.203 0.000 2.376 178 L HA -0.127 4.001 4.340 -0.354 0.000 0.219 178 L C 1.032 177.934 176.870 0.053 0.000 1.133 178 L CA 1.826 56.524 54.840 -0.237 0.000 0.816 178 L CB -1.244 40.618 42.059 -0.329 0.000 0.933 178 L HN 0.101 8.139 8.230 -0.173 0.088 0.449 179 L N -9.196 112.064 121.223 0.062 0.000 2.316 179 L HA 0.123 4.525 4.340 0.104 0.000 0.207 179 L C 1.906 178.806 176.870 0.050 0.000 1.070 179 L CA 1.521 56.348 54.840 -0.022 0.000 0.820 179 L CB -0.456 41.330 42.059 -0.455 0.000 0.992 179 L HN -0.522 7.720 8.230 0.066 0.028 0.466 180 K N 0.853 121.326 120.400 0.122 0.000 2.057 180 K HA -0.308 4.027 4.320 0.024 0.000 0.207 180 K C 1.857 178.475 176.600 0.031 0.000 1.049 180 K CA 3.628 59.967 56.287 0.085 0.000 0.931 180 K CB -0.650 31.941 32.500 0.152 0.000 0.714 180 K HN -0.340 8.012 8.250 0.170 0.000 0.440 181 F N -3.304 116.697 119.950 0.084 0.000 2.604 181 F HA -0.206 4.364 4.527 0.073 0.000 0.298 181 F C 1.549 177.390 175.800 0.068 0.000 1.131 181 F CA 3.000 61.054 58.000 0.090 0.000 1.457 181 F CB 0.014 39.120 39.000 0.177 0.000 1.095 181 F HN 0.140 8.621 8.300 0.480 0.107 0.574 182 Q N -2.704 117.206 119.800 0.183 0.000 2.269 182 Q HA -0.119 4.317 4.340 0.160 0.000 0.201 182 Q C 1.467 177.527 176.000 0.101 0.000 0.946 182 Q CA 1.739 57.631 55.803 0.148 0.000 0.877 182 Q CB 0.310 29.146 28.738 0.165 0.000 0.963 182 Q HN -0.551 7.663 8.270 0.162 0.153 0.472 183 G N -2.219 106.616 108.800 0.058 0.000 2.744 183 G HA2 0.074 4.061 3.960 0.044 0.000 0.211 183 G HA3 0.074 4.042 3.960 0.014 0.000 0.211 183 G C 0.351 175.241 174.900 -0.017 0.000 1.146 183 G CA 0.064 45.179 45.100 0.025 0.000 0.787 183 G HN -0.674 7.532 8.290 0.054 0.116 0.534 184 I N 0.860 121.386 120.570 -0.072 0.000 2.676 184 I HA -0.192 3.881 4.170 -0.161 0.000 0.259 184 I C -1.139 174.946 176.117 -0.054 0.000 1.194 184 I CA -0.161 61.039 61.300 -0.167 0.000 1.473 184 I CB 0.233 37.929 38.000 -0.506 0.000 1.096 184 I HN -0.425 7.615 8.210 -0.059 0.135 0.443 185 K N -2.191 118.227 120.400 0.031 0.000 2.427 185 K HA -0.320 4.225 4.320 0.139 -0.142 0.262 185 K C 0.891 177.547 176.600 0.092 0.000 1.094 185 K CA 0.931 57.275 56.287 0.094 0.000 1.184 185 K CB -1.294 31.266 32.500 0.099 0.000 0.796 185 K HN -0.742 7.467 8.250 0.037 0.062 0.491 186 M N 2.813 122.496 119.600 0.139 0.000 2.062 186 M HA -0.264 4.279 4.480 0.105 0.000 0.259 186 M C 0.743 177.124 176.300 0.134 0.000 1.076 186 M CA 3.457 58.843 55.300 0.143 0.000 1.122 186 M CB 0.854 33.585 32.600 0.218 0.000 1.312 186 M HN -0.337 8.060 8.290 0.179 0.000 0.412 187 C N -5.930 113.473 119.300 0.170 0.000 2.448 187 C HA -0.054 4.507 4.460 0.130 -0.024 0.329 187 C C -0.718 174.417 174.990 0.242 0.000 1.088 187 C CA -0.318 58.795 59.018 0.159 0.000 0.997 187 C CB 2.087 29.903 27.740 0.127 0.000 1.315 187 C HN -0.506 7.849 8.230 0.209 0.000 0.580 188 G N 2.886 111.823 108.800 0.228 0.000 2.479 188 G HA2 -0.288 3.961 3.960 0.483 0.000 0.220 188 G HA3 -0.288 3.844 3.960 0.288 0.000 0.220 188 G C 0.697 175.866 174.900 0.448 0.000 1.115 188 G CA 1.796 47.135 45.100 0.398 0.000 0.757 188 G HN 0.523 8.907 8.290 0.157 0.000 0.560 189 K N 0.630 121.174 120.400 0.241 0.000 2.007 189 K HA -0.200 4.197 4.320 0.128 0.000 0.206 189 K C 1.907 178.575 176.600 0.113 0.000 1.047 189 K CA 3.559 59.934 56.287 0.146 0.000 0.937 189 K CB -0.230 32.329 32.500 0.097 0.000 0.718 189 K HN -0.859 7.482 8.250 0.193 0.026 0.438 190 E N -1.283 119.000 120.200 0.137 0.000 2.347 190 E HA -0.185 4.193 4.350 0.047 0.000 0.196 190 E C 2.305 178.998 176.600 0.155 0.000 1.008 190 E CA 1.746 58.208 56.400 0.103 0.000 0.852 190 E CB -1.074 28.687 29.700 0.101 0.000 0.783 190 E HN -0.209 8.246 8.360 0.158 0.000 0.505 191 F N 2.854 122.889 119.950 0.142 0.000 2.113 191 F HA -0.149 4.551 4.527 0.290 0.000 0.297 191 F C 1.248 177.198 175.800 0.249 0.000 1.103 191 F CA 3.024 61.164 58.000 0.234 0.000 1.248 191 F CB -0.132 39.004 39.000 0.226 0.000 0.999 191 F HN 0.344 8.753 8.300 0.374 0.115 0.475 192 N N -0.466 117.885 118.700 -0.581 0.000 2.104 192 N HA -0.435 3.761 4.740 -0.907 0.000 0.190 192 N C 1.700 177.076 175.510 -0.223 0.000 1.024 192 N CA 3.179 55.897 53.050 -0.554 0.000 0.853 192 N CB -0.280 38.040 38.487 -0.279 0.000 1.008 192 N HN -0.356 7.835 8.380 -0.201 0.069 0.424 193 K N -0.185 120.141 120.400 -0.122 0.000 2.009 193 K HA -0.346 3.920 4.320 -0.090 0.000 0.210 193 K C 1.975 178.472 176.600 -0.171 0.000 1.049 193 K CA 3.286 59.513 56.287 -0.101 0.000 0.929 193 K CB 0.113 32.578 32.500 -0.060 0.000 0.714 193 K HN -0.362 7.838 8.250 -0.083 0.000 0.440 194 A N -0.946 121.749 122.820 -0.208 0.000 1.877 194 A HA -0.279 3.692 4.320 -0.583 0.000 0.216 194 A C 1.856 178.950 177.584 -0.816 0.000 1.186 194 A CA 3.071 54.776 52.037 -0.554 0.000 0.620 194 A CB -0.614 18.134 19.000 -0.419 0.000 0.822 194 A HN 0.286 8.256 8.150 -0.100 0.120 0.443 195 F N -1.742 117.997 119.950 -0.352 0.000 2.154 195 F HA -0.453 4.169 4.527 0.157 0.000 0.301 195 F C 2.476 178.209 175.800 -0.112 0.000 1.087 195 F CA 4.605 62.552 58.000 -0.088 0.000 1.274 195 F CB -0.114 38.876 39.000 -0.015 0.000 1.009 195 F HN 0.181 8.521 8.300 0.067 0.000 0.485 196 E N -2.522 117.663 120.200 -0.025 0.000 2.150 196 E HA -0.314 4.053 4.350 0.028 0.000 0.193 196 E C 1.867 178.413 176.600 -0.090 0.000 0.985 196 E CA 2.396 58.775 56.400 -0.034 0.000 0.814 196 E CB -0.348 29.325 29.700 -0.045 0.000 0.752 196 E HN -0.533 7.801 8.360 -0.045 -0.001 0.466 197 L N -3.052 118.037 121.223 -0.222 0.000 2.156 197 L HA -0.246 4.017 4.340 -0.128 0.000 0.208 197 L C 2.260 179.028 176.870 -0.169 0.000 1.095 197 L CA 2.334 57.036 54.840 -0.231 0.000 0.770 197 L CB -0.052 41.810 42.059 -0.329 0.000 0.914 197 L HN -0.403 7.546 8.230 -0.294 0.104 0.439 198 Y N -4.614 115.618 120.300 -0.114 0.000 2.395 198 Y HA -0.153 4.317 4.550 -0.134 0.000 0.293 198 Y C 0.892 176.737 175.900 -0.092 0.000 1.123 198 Y CA -0.614 57.389 58.100 -0.162 0.000 1.227 198 Y CB -0.281 37.961 38.460 -0.364 0.000 1.012 198 Y HN 0.169 7.938 8.280 -0.526 0.196 0.552 199 D N -0.626 119.819 120.400 0.076 0.000 2.551 199 D HA 0.063 4.748 4.640 0.074 0.000 0.223 199 D C -0.230 176.090 176.300 0.033 0.000 1.144 199 D CA -1.084 52.958 54.000 0.071 0.000 1.025 199 D CB -1.331 39.529 40.800 0.102 0.000 1.085 199 D HN -0.464 7.804 8.370 0.033 0.122 0.506 200 Q N 1.704 121.519 119.800 0.026 0.000 2.356 200 Q HA -0.032 4.312 4.340 0.006 0.000 0.205 200 Q C 0.563 176.568 176.000 0.009 0.000 0.901 200 Q CA 1.180 56.990 55.803 0.012 0.000 0.938 200 Q CB 0.224 28.969 28.738 0.011 0.000 1.081 200 Q HN -0.233 8.010 8.270 0.033 0.047 0.517 201 D N 0.263 120.670 120.400 0.012 0.000 2.289 201 D HA -0.021 4.621 4.640 0.004 0.000 0.207 201 D C 0.547 176.858 176.300 0.018 0.000 0.966 201 D CA 0.348 54.353 54.000 0.009 0.000 0.868 201 D CB 0.155 40.956 40.800 0.002 0.000 0.943 201 D HN -0.121 8.209 8.370 0.017 0.050 0.514 202 G N -1.950 106.867 108.800 0.028 0.000 2.160 202 G HA2 -0.416 3.679 3.960 0.032 0.000 0.244 202 G HA3 -0.416 3.558 3.960 0.023 0.000 0.244 202 G C 0.217 175.143 174.900 0.044 0.000 1.022 202 G CA 0.216 45.335 45.100 0.031 0.000 0.741 202 G HN -0.338 8.031 8.290 0.031 -0.061 0.508 203 N N 1.107 119.844 118.700 0.061 0.000 2.336 203 N HA -0.015 4.766 4.740 0.069 0.000 0.177 203 N C 0.862 176.435 175.510 0.105 0.000 1.018 203 N CA 0.337 53.438 53.050 0.086 0.000 0.878 203 N CB 0.940 39.492 38.487 0.108 0.000 0.997 203 N HN -0.159 8.449 8.380 0.060 -0.192 0.433 204 G N -0.897 107.973 108.800 0.117 0.000 2.131 204 G HA2 -0.389 3.718 3.960 0.111 0.000 0.223 204 G HA3 -0.389 3.627 3.960 0.092 0.000 0.223 204 G C -1.741 173.273 174.900 0.191 0.000 0.990 204 G CA 0.088 45.261 45.100 0.123 0.000 0.671 204 G HN 0.018 8.939 8.290 0.109 -0.566 0.521 205 Y N -1.135 119.179 120.300 0.023 0.000 2.615 205 Y HA 0.463 4.995 4.550 -0.030 0.000 0.341 205 Y C -2.949 172.950 175.900 -0.002 0.000 1.089 205 Y CA -1.703 56.376 58.100 -0.036 0.000 1.049 205 Y CB 3.266 41.642 38.460 -0.140 0.000 1.296 205 Y HN -1.053 7.440 8.280 0.243 -0.066 0.470 206 I N -0.452 120.148 120.570 0.050 0.000 2.647 206 I HA 0.341 4.447 4.170 -0.107 0.000 0.295 206 I C -3.346 172.585 176.117 -0.311 0.000 1.078 206 I CA -1.778 59.474 61.300 -0.081 0.000 1.048 206 I CB 3.551 41.611 38.000 0.100 0.000 1.239 206 I HN 0.621 8.955 8.210 0.207 0.000 0.421 207 D N 5.778 126.010 120.400 -0.280 0.000 2.299 207 D HA 0.246 4.753 4.640 -0.320 -0.058 0.243 207 D C 0.948 177.156 176.300 -0.154 0.000 0.982 207 D CA -1.835 52.003 54.000 -0.270 0.000 0.924 207 D CB 3.203 43.830 40.800 -0.289 0.000 1.238 207 D HN 0.047 8.287 8.370 -0.216 0.000 0.484 208 E N 1.333 121.460 120.200 -0.121 0.000 2.444 208 E HA -0.481 3.818 4.350 -0.086 0.000 0.204 208 E C 0.920 177.464 176.600 -0.095 0.000 1.049 208 E CA 2.619 58.964 56.400 -0.092 0.000 0.872 208 E CB -0.707 28.950 29.700 -0.072 0.000 0.791 208 E HN 0.271 8.555 8.360 -0.126 0.000 0.548 209 N N -0.686 117.955 118.700 -0.098 0.000 2.278 209 N HA -0.217 4.477 4.740 -0.076 0.000 0.181 209 N C 2.053 177.502 175.510 -0.100 0.000 1.023 209 N CA 2.670 55.669 53.050 -0.085 0.000 0.862 209 N CB -0.407 38.038 38.487 -0.071 0.000 1.003 209 N HN -0.607 7.771 8.380 -0.108 -0.063 0.431 210 E N 0.320 120.453 120.200 -0.112 0.000 2.338 210 E HA -0.178 4.106 4.350 -0.109 0.000 0.197 210 E C 2.087 178.542 176.600 -0.241 0.000 1.007 210 E CA 2.100 58.420 56.400 -0.133 0.000 0.849 210 E CB -0.812 28.833 29.700 -0.092 0.000 0.774 210 E HN -0.483 7.812 8.360 -0.109 0.000 0.506 211 L N -0.355 120.743 121.223 -0.208 0.000 2.017 211 L HA -0.293 3.843 4.340 -0.340 0.000 0.208 211 L C 1.313 178.053 176.870 -0.215 0.000 1.073 211 L CA 3.433 58.133 54.840 -0.234 0.000 0.745 211 L CB -0.069 41.910 42.059 -0.134 0.000 0.894 211 L HN -0.572 7.523 8.230 -0.155 0.042 0.432 212 D N -1.901 118.413 120.400 -0.143 0.000 2.218 212 D HA -0.332 4.262 4.640 -0.076 0.000 0.204 212 D C 1.494 177.724 176.300 -0.117 0.000 0.976 212 D CA 3.236 57.177 54.000 -0.098 0.000 0.853 212 D CB -0.196 40.566 40.800 -0.062 0.000 0.939 212 D HN -0.439 7.769 8.370 -0.127 0.086 0.481 213 A N -0.379 122.345 122.820 -0.159 0.000 1.968 213 A HA -0.282 3.991 4.320 -0.079 0.000 0.217 213 A C 1.376 178.795 177.584 -0.275 0.000 1.169 213 A CA 3.194 55.144 52.037 -0.145 0.000 0.638 213 A CB -0.290 18.654 19.000 -0.093 0.000 0.812 213 A HN -0.439 7.490 8.150 -0.165 0.122 0.446 214 L N -1.306 119.539 121.223 -0.630 0.000 2.127 214 L HA -0.387 2.712 4.340 -2.068 0.000 0.211 214 L C 1.163 177.822 176.870 -0.352 0.000 1.089 214 L CA 2.883 57.082 54.840 -1.068 0.000 0.757 214 L CB 0.091 41.532 42.059 -1.031 0.000 0.899 214 L HN -0.109 7.563 8.230 -0.589 0.205 0.434 215 L N -3.187 117.926 121.223 -0.184 0.000 2.316 215 L HA -0.145 4.178 4.340 -0.029 0.000 0.207 215 L C 1.984 178.832 176.870 -0.036 0.000 1.070 215 L CA 2.403 57.210 54.840 -0.055 0.000 0.820 215 L CB -0.425 41.636 42.059 0.004 0.000 0.992 215 L HN -0.234 7.717 8.230 -0.220 0.147 0.466 216 K N 0.456 120.833 120.400 -0.038 0.000 2.152 216 K HA -0.255 4.062 4.320 -0.005 0.000 0.206 216 K C 2.390 178.993 176.600 0.005 0.000 1.048 216 K CA 2.986 59.265 56.287 -0.012 0.000 0.933 216 K CB -0.744 31.749 32.500 -0.012 0.000 0.721 216 K HN 0.473 8.566 8.250 -0.062 0.120 0.447 217 D N -0.505 119.908 120.400 0.022 0.000 2.077 217 D HA -0.220 4.459 4.640 0.065 0.000 0.197 217 D C 2.209 178.535 176.300 0.043 0.000 0.983 217 D CA 3.046 57.091 54.000 0.075 0.000 0.841 217 D CB 0.237 41.167 40.800 0.216 0.000 0.992 217 D HN -0.410 7.843 8.370 -0.008 0.113 0.450 218 L N -1.093 120.151 121.223 0.034 0.000 2.034 218 L HA -0.473 3.866 4.340 -0.001 0.000 0.217 218 L C 2.401 179.219 176.870 -0.087 0.000 1.077 218 L CA 3.135 57.959 54.840 -0.027 0.000 0.769 218 L CB -0.392 41.637 42.059 -0.049 0.000 0.890 218 L HN -0.264 8.006 8.230 0.067 0.000 0.435 219 C N -4.072 115.178 119.300 -0.083 0.000 2.413 219 C HA -0.283 4.171 4.460 -0.138 -0.077 0.276 219 C C 1.464 176.426 174.990 -0.047 0.000 1.248 219 C CA 2.410 61.380 59.018 -0.080 0.000 1.742 219 C CB -0.999 26.720 27.740 -0.036 0.000 2.017 219 C HN 0.581 8.648 8.230 -0.064 0.125 0.481 220 E N -0.436 119.750 120.200 -0.024 0.000 2.511 220 E HA -0.089 4.254 4.350 -0.011 0.000 0.196 220 E C 0.153 176.746 176.600 -0.011 0.000 1.066 220 E CA 1.166 57.560 56.400 -0.011 0.000 0.871 220 E CB -0.289 29.412 29.700 0.001 0.000 0.863 220 E HN -0.325 7.987 8.360 -0.021 0.036 0.520 221 K N -0.552 119.835 120.400 -0.022 0.000 2.306 221 K HA -0.007 4.308 4.320 -0.008 0.000 0.200 221 K C 0.541 177.118 176.600 -0.038 0.000 1.083 221 K CA 0.902 57.178 56.287 -0.019 0.000 0.959 221 K CB 1.749 34.246 32.500 -0.005 0.000 0.994 221 K HN -0.406 7.570 8.250 -0.035 0.253 0.492 222 N N 0.728 119.385 118.700 -0.071 0.000 2.752 222 N HA 0.217 4.922 4.740 -0.059 0.000 0.260 222 N C -1.428 174.024 175.510 -0.096 0.000 1.562 222 N CA -0.019 52.978 53.050 -0.088 0.000 0.788 222 N CB 0.879 39.287 38.487 -0.131 0.000 1.192 222 N HN 0.072 8.312 8.380 -0.085 0.090 0.503 223 K N 0.447 120.813 120.400 -0.057 0.000 2.525 223 K HA -0.041 4.540 4.320 -0.047 -0.289 0.192 223 K C 0.433 177.017 176.600 -0.026 0.000 1.029 223 K CA 1.517 57.781 56.287 -0.039 0.000 1.029 223 K CB -0.131 32.358 32.500 -0.019 0.000 0.814 223 K HN 0.137 8.361 8.250 -0.042 0.000 0.503 224 Q N -2.925 116.855 119.800 -0.033 0.000 2.398 224 Q HA -0.102 4.234 4.340 -0.007 0.000 0.204 224 Q C 0.226 176.216 176.000 -0.016 0.000 0.932 224 Q CA 1.910 57.702 55.803 -0.018 0.000 0.916 224 Q CB 0.110 28.838 28.738 -0.018 0.000 1.024 224 Q HN 0.022 8.175 8.270 -0.048 0.088 0.504 225 E N -1.984 118.188 120.200 -0.046 0.000 2.378 225 E HA 0.064 4.417 4.350 0.005 0.000 0.200 225 E C -0.572 175.994 176.600 -0.056 0.000 0.882 225 E CA 0.589 56.960 56.400 -0.048 0.000 1.061 225 E CB 1.583 31.221 29.700 -0.102 0.000 1.049 225 E HN -0.554 7.719 8.360 -0.071 0.045 0.494 226 L N 2.141 123.259 121.223 -0.176 0.000 2.259 226 L HA 0.201 4.388 4.340 -0.255 0.000 0.288 226 L C -1.745 175.110 176.870 -0.024 0.000 1.051 226 L CA -0.659 54.032 54.840 -0.249 0.000 0.824 226 L CB -0.488 41.267 42.059 -0.506 0.000 1.206 226 L HN 0.259 8.273 8.230 -0.185 0.105 0.429 227 D N 3.310 123.803 120.400 0.155 0.000 2.256 227 D HA 0.266 4.946 4.640 0.066 0.000 0.246 227 D C 0.534 176.930 176.300 0.159 0.000 1.042 227 D CA -2.050 52.027 54.000 0.128 0.000 0.841 227 D CB 3.197 44.062 40.800 0.108 0.000 1.223 227 D HN 0.003 8.579 8.370 0.344 0.000 0.470 228 I N 3.316 123.940 120.570 0.090 0.000 3.055 228 I HA -0.253 3.965 4.170 0.080 0.000 0.277 228 I C -0.020 176.132 176.117 0.058 0.000 1.306 228 I CA 0.493 61.834 61.300 0.069 0.000 1.426 228 I CB -1.513 36.509 38.000 0.038 0.000 1.081 228 I HN 0.525 8.772 8.210 0.062 0.000 0.502 229 N N -1.227 117.510 118.700 0.062 0.000 2.299 229 N HA -0.017 4.738 4.740 0.025 0.000 0.187 229 N C -0.170 175.353 175.510 0.022 0.000 1.099 229 N CA 0.662 53.732 53.050 0.035 0.000 0.867 229 N CB 1.507 40.011 38.487 0.027 0.000 0.974 229 N HN -0.137 8.527 8.380 0.078 -0.237 0.477 230 N N -3.729 114.999 118.700 0.047 0.000 2.307 230 N HA 0.180 4.881 4.740 -0.066 0.000 0.248 230 N C -0.659 174.895 175.510 0.072 0.000 1.322 230 N CA -0.453 52.578 53.050 -0.033 0.000 0.861 230 N CB 1.331 39.714 38.487 -0.173 0.000 1.303 230 N HN 0.008 8.279 8.380 0.107 0.174 0.498 231 I N 0.177 120.848 120.570 0.169 0.000 2.233 231 I HA -0.340 4.153 4.170 0.539 0.000 0.243 231 I C 1.335 177.531 176.117 0.132 0.000 1.093 231 I CA 3.282 64.729 61.300 0.246 0.000 1.380 231 I CB -0.429 37.660 38.000 0.149 0.000 1.067 231 I HN -0.660 7.518 8.210 0.111 0.099 0.413 232 S N -1.759 113.970 115.700 0.048 0.000 2.500 232 S HA -0.227 4.349 4.470 0.001 -0.106 0.239 232 S C 2.081 176.663 174.600 -0.029 0.000 0.989 232 S CA 3.148 61.349 58.200 0.003 0.000 0.951 232 S CB -0.533 62.661 63.200 -0.010 0.000 0.759 232 S HN 0.236 8.571 8.310 0.042 0.000 0.523 233 T N 5.422 119.945 114.554 -0.051 0.000 2.896 233 T HA -0.179 4.103 4.350 -0.113 0.000 0.263 233 T C 1.721 176.303 174.700 -0.196 0.000 1.050 233 T CA 4.722 66.737 62.100 -0.142 0.000 1.140 233 T CB -0.093 68.647 68.868 -0.213 0.000 0.877 233 T HN -0.205 7.947 8.240 -0.022 0.076 0.457 234 Y N 1.330 121.587 120.300 -0.071 0.000 2.421 234 Y HA -0.112 4.530 4.550 -0.280 -0.260 0.292 234 Y C 1.952 177.691 175.900 -0.269 0.000 1.136 234 Y CA 2.736 60.734 58.100 -0.168 0.000 1.255 234 Y CB -1.032 37.449 38.460 0.035 0.000 0.991 234 Y HN 0.285 8.416 8.280 0.080 0.197 0.552 235 K N -0.680 119.698 120.400 -0.036 0.000 2.097 235 K HA -0.340 3.919 4.320 -0.102 0.000 0.205 235 K C 2.235 178.763 176.600 -0.120 0.000 1.050 235 K CA 2.939 59.175 56.287 -0.085 0.000 0.938 235 K CB -0.361 32.104 32.500 -0.058 0.000 0.718 235 K HN -0.059 8.097 8.250 0.023 0.108 0.442 236 K N -1.409 118.920 120.400 -0.118 0.000 2.002 236 K HA -0.355 3.915 4.320 -0.084 0.000 0.209 236 K C 2.029 178.538 176.600 -0.151 0.000 1.048 236 K CA 2.931 59.151 56.287 -0.111 0.000 0.930 236 K CB -0.178 32.265 32.500 -0.095 0.000 0.714 236 K HN -0.546 7.537 8.250 -0.104 0.104 0.438 237 N N -0.857 117.695 118.700 -0.246 0.000 2.003 237 N HA -0.340 4.295 4.740 -0.176 0.000 0.198 237 N C 2.244 177.514 175.510 -0.400 0.000 1.073 237 N CA 2.725 55.542 53.050 -0.388 0.000 0.875 237 N CB -0.035 37.921 38.487 -0.886 0.000 1.074 237 N HN -0.151 7.974 8.380 -0.250 0.105 0.435 238 I N 0.279 120.485 120.570 -0.608 0.000 2.229 238 I HA -0.581 3.480 4.170 -0.182 0.000 0.250 238 I C 1.944 178.010 176.117 -0.085 0.000 1.096 238 I CA 4.017 65.138 61.300 -0.297 0.000 1.358 238 I CB -0.567 37.285 38.000 -0.246 0.000 1.047 238 I HN -0.023 7.764 8.210 -0.704 0.000 0.422 239 M N 0.836 120.376 119.600 -0.099 0.000 2.192 239 M HA -0.365 4.107 4.480 -0.014 0.000 0.256 239 M C 2.086 178.386 176.300 0.001 0.000 1.076 239 M CA 2.162 57.440 55.300 -0.037 0.000 1.075 239 M CB -1.314 31.252 32.600 -0.056 0.000 1.368 239 M HN -0.550 7.602 8.290 -0.164 0.039 0.406 240 A N -1.597 121.214 122.820 -0.014 0.000 2.238 240 A HA -0.096 4.231 4.320 0.012 0.000 0.208 240 A C 0.266 177.875 177.584 0.041 0.000 1.177 240 A CA 1.758 53.798 52.037 0.005 0.000 0.804 240 A CB -0.525 18.462 19.000 -0.021 0.000 0.823 240 A HN 0.631 8.579 8.150 -0.052 0.170 0.482 241 L N -3.937 117.335 121.223 0.081 0.000 2.316 241 L HA 0.220 4.661 4.340 0.169 0.000 0.207 241 L C 1.191 178.154 176.870 0.154 0.000 1.070 241 L CA -0.277 54.652 54.840 0.149 0.000 0.820 241 L CB -0.381 41.797 42.059 0.198 0.000 0.992 241 L HN 0.165 8.279 8.230 0.067 0.155 0.466 242 S N 0.173 115.970 115.700 0.161 0.000 2.617 242 S HA 0.075 5.024 4.470 0.283 -0.309 0.255 242 S C -0.520 174.231 174.600 0.251 0.000 1.318 242 S CA -0.223 58.112 58.200 0.225 0.000 0.978 242 S CB 0.966 64.276 63.200 0.183 0.000 0.961 242 S HN -0.726 7.660 8.310 0.126 0.000 0.582 243 D N 0.608 121.214 120.400 0.343 0.000 2.462 243 D HA 0.112 4.902 4.640 0.250 0.000 0.245 243 D C 0.437 176.882 176.300 0.242 0.000 1.122 243 D CA -0.456 53.731 54.000 0.312 0.000 0.864 243 D CB 1.517 42.498 40.800 0.302 0.000 1.098 243 D HN -0.495 8.123 8.370 0.414 0.000 0.541 244 G N 6.706 115.592 108.800 0.144 0.000 2.212 244 G HA2 -0.344 3.656 3.960 0.068 0.000 0.255 244 G HA3 -0.344 3.680 3.960 0.108 0.000 0.255 244 G C 0.040 174.968 174.900 0.047 0.000 1.062 244 G CA 0.279 45.435 45.100 0.092 0.000 0.815 244 G HN 0.651 9.020 8.290 0.131 0.000 0.497 245 G N -3.789 105.028 108.800 0.028 0.000 2.205 245 G HA2 -0.405 3.542 3.960 -0.022 0.000 0.261 245 G HA3 -0.405 3.535 3.960 -0.033 0.000 0.261 245 G C -1.342 173.507 174.900 -0.086 0.000 0.980 245 G CA 0.027 45.112 45.100 -0.025 0.000 0.632 245 G HN 0.340 8.661 8.290 0.052 0.000 0.533 246 K N 0.666 121.013 120.400 -0.089 0.000 2.604 246 K HA 0.613 4.776 4.320 -0.502 -0.145 0.247 246 K C -1.625 174.933 176.600 -0.070 0.000 0.956 246 K CA -1.721 54.374 56.287 -0.320 0.000 0.896 246 K CB 1.641 33.890 32.500 -0.418 0.000 1.131 246 K HN -0.912 7.266 8.250 0.017 0.082 0.440 247 L N 5.429 126.613 121.223 -0.065 0.000 2.361 247 L HA -0.015 4.478 4.340 0.255 0.000 0.278 247 L C -1.134 175.941 176.870 0.340 0.000 1.113 247 L CA -0.346 54.604 54.840 0.184 0.000 0.849 247 L CB -0.062 42.102 42.059 0.175 0.000 1.155 247 L HN 0.868 8.867 8.230 -0.225 0.096 0.452 248 Y N 3.450 123.973 120.300 0.373 0.000 2.328 248 Y HA 0.125 4.870 4.550 0.325 0.000 0.337 248 Y C -0.330 175.655 175.900 0.142 0.000 1.008 248 Y CA -1.079 57.156 58.100 0.225 0.000 1.129 248 Y CB 1.711 40.173 38.460 0.003 0.000 1.185 248 Y HN -0.224 8.385 8.280 0.549 0.000 0.476 249 R N 8.066 128.722 120.500 0.261 0.000 2.351 249 R HA -0.130 4.257 4.340 0.079 0.000 0.321 249 R C -0.988 175.339 176.300 0.044 0.000 1.182 249 R CA 0.519 56.652 56.100 0.056 0.000 1.011 249 R CB -1.633 28.552 30.300 -0.192 0.000 1.048 249 R HN 0.631 9.075 8.270 0.290 0.000 0.490 250 T N 3.917 118.496 114.554 0.042 0.000 3.312 250 T HA 0.217 4.561 4.350 -0.010 0.000 0.266 250 T C -0.193 174.481 174.700 -0.044 0.000 0.849 250 T CA 1.072 63.154 62.100 -0.030 0.000 0.897 250 T CB 2.073 70.881 68.868 -0.101 0.000 1.251 250 T HN 0.660 8.898 8.240 0.074 0.047 0.564 251 D N 2.028 122.459 120.400 0.052 0.000 2.433 251 D HA 0.198 4.920 4.640 0.138 0.000 0.211 251 D C -0.375 176.018 176.300 0.155 0.000 1.114 251 D CA 0.533 54.608 54.000 0.126 0.000 0.837 251 D CB 1.495 42.386 40.800 0.151 0.000 0.984 251 D HN -0.378 8.047 8.370 0.091 0.000 0.505 252 L N -0.349 120.936 121.223 0.104 0.000 2.784 252 L HA 0.215 4.651 4.340 0.160 0.000 0.241 252 L C -1.171 175.702 176.870 0.004 0.000 1.352 252 L CA -0.866 54.049 54.840 0.126 0.000 0.911 252 L CB -1.715 40.517 42.059 0.288 0.000 1.227 252 L HN -0.561 7.649 8.230 0.052 0.051 0.501 253 A N -0.944 121.862 122.820 -0.024 0.000 2.665 253 A HA 0.243 4.097 4.320 -0.777 0.000 0.268 253 A C -0.437 176.921 177.584 -0.376 0.000 1.044 253 A CA 0.958 52.796 52.037 -0.333 0.000 0.993 253 A CB 1.190 20.219 19.000 0.049 0.000 1.229 253 A HN -0.594 7.512 8.150 0.061 0.081 0.576 254 L N -6.745 114.415 121.223 -0.105 0.000 3.154 254 L HA 0.320 4.640 4.340 -0.034 0.000 0.280 254 L C 0.888 177.797 176.870 0.065 0.000 1.134 254 L CA 0.618 55.467 54.840 0.016 0.000 1.037 254 L CB -0.205 41.943 42.059 0.149 0.000 1.571 254 L HN -0.480 7.653 8.230 -0.034 0.077 0.576 255 I N -1.567 119.050 120.570 0.078 0.000 2.162 255 I HA -0.272 3.926 4.170 0.047 0.000 0.238 255 I C 0.066 176.380 176.117 0.328 0.000 1.076 255 I CA 3.230 64.600 61.300 0.116 0.000 1.353 255 I CB 0.149 38.204 38.000 0.091 0.000 1.063 255 I HN -0.301 7.950 8.210 0.069 0.000 0.408 256 L N -8.327 113.098 121.223 0.337 0.000 2.693 256 L HA 0.501 5.200 4.340 0.599 0.000 0.235 256 L C 1.115 178.121 176.870 0.226 0.000 1.127 256 L CA 0.004 55.120 54.840 0.459 0.000 0.914 256 L CB -0.953 41.474 42.059 0.613 0.000 1.193 256 L HN -0.617 7.751 8.230 0.230 0.000 0.502 257 S N 0.628 116.313 115.700 -0.025 0.000 2.335 257 S HA -0.254 4.158 4.470 -0.097 0.000 0.216 257 S C 0.411 175.040 174.600 0.049 0.000 1.032 257 S CA 3.052 61.162 58.200 -0.149 0.000 1.000 257 S CB 0.034 62.969 63.200 -0.441 0.000 0.928 257 S HN 0.060 8.325 8.310 -0.075 0.000 0.434 258 A N -3.674 119.187 122.820 0.068 0.000 2.369 258 A HA 0.035 4.428 4.320 0.122 0.000 0.207 258 A C -1.568 176.101 177.584 0.142 0.000 2.758 258 A CA 0.263 52.364 52.037 0.107 0.000 1.508 258 A CB 0.486 19.541 19.000 0.091 0.000 0.717 258 A HN 0.106 8.286 8.150 0.050 0.000 0.486 259 G N -1.721 107.170 108.800 0.152 0.000 2.244 259 G HA2 -0.167 4.074 3.960 0.468 0.000 0.163 259 G HA3 -0.167 4.011 3.960 0.362 0.000 0.163 259 G C -2.161 172.804 174.900 0.109 0.000 1.064 259 G CA -0.242 45.040 45.100 0.304 0.000 0.757 259 G HN -0.478 7.867 8.290 0.090 0.000 0.484 260 D N -1.762 118.631 120.400 -0.012 0.000 2.865 260 D HA 0.262 4.776 4.640 -0.210 0.000 0.343 260 D C -2.773 173.455 176.300 -0.119 0.000 1.372 260 D CA -0.093 53.841 54.000 -0.111 0.000 0.862 260 D CB 4.078 44.850 40.800 -0.047 0.000 1.425 260 D HN -0.689 7.682 8.370 0.002 0.000 0.501 261 N N 0.000 118.641 118.700 -0.098 0.000 1.763 261 N HA 0.000 4.705 4.740 -0.059 0.000 0.220 261 N CA 0.000 53.047 53.050 -0.005 0.000 0.885 261 N CB 0.000 38.534 38.487 0.078 0.000 1.341 261 N HN 0.000 8.309 8.380 -0.119 0.000 0.667