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 1tsi_1_A DATA FIRST_RESID 2 DATA SEQUENCE SKPQPIAAAN WKCNGSQQSL SELIDLFNST SINHDVQCVV ASTFVHLAMT DATA SEQUENCE KERLSHPKFV IAAQNAIAKS GAFTGEVSLP ILKDFGVNWI VLGHSERRAY DATA SEQUENCE YGETNEIVAD KVAAAVASGF MVIACIGETL QERESGRTAV VVLTQIAAIA DATA SEQUENCE KKLKKADWAK VVIAYEPVWA IGTGKVATPQ QAQEAHALIR SWVSSKIGAD DATA SEQUENCE VRGELRILYG GSVNGKNART LYQQRDVNGF LVGGASLKPE FVDIIKATQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 4.470 4.470 0.000 0.000 0.327 2 S C 0.000 174.592 174.600 -0.014 0.000 1.055 2 S CA 0.000 58.192 58.200 -0.014 0.000 1.107 2 S CB 0.000 63.187 63.200 -0.022 0.000 0.593 3 K N 2.257 122.656 120.400 -0.001 0.000 2.316 3 K HA 0.590 4.909 4.320 -0.002 0.000 0.251 3 K C -2.736 173.889 176.600 0.041 0.000 0.934 3 K CA -2.013 54.280 56.287 0.010 0.000 0.802 3 K CB 1.764 34.263 32.500 -0.002 0.000 1.171 3 K HN 0.231 8.481 8.250 0.000 0.000 0.426 4 P HA -0.014 4.406 4.420 0.000 0.000 0.273 4 P C -0.993 176.359 177.300 0.087 0.000 1.250 4 P CA -0.538 62.599 63.100 0.061 0.000 0.793 4 P CB 0.456 32.193 31.700 0.062 0.000 1.011 5 Q N 1.336 121.186 119.800 0.083 0.000 2.269 5 Q HA 0.031 4.369 4.340 -0.002 0.000 0.300 5 Q C -1.955 174.101 176.000 0.094 0.000 1.070 5 Q CA -1.029 54.826 55.803 0.086 0.000 0.957 5 Q CB -0.024 28.756 28.738 0.070 0.000 1.131 5 Q HN 0.249 8.519 8.270 0.000 0.000 0.377 6 P HA 0.240 4.660 4.420 0.000 0.000 0.276 6 P C -0.737 176.550 177.300 -0.021 0.000 1.252 6 P CA -0.076 63.053 63.100 0.048 0.000 0.802 6 P CB 0.748 32.420 31.700 -0.047 0.000 1.035 7 I N -0.808 119.734 120.570 -0.046 0.000 2.686 7 I HA 0.569 4.738 4.170 -0.002 0.000 0.295 7 I C -0.563 175.506 176.117 -0.079 0.000 1.114 7 I CA -1.150 60.107 61.300 -0.072 0.000 1.038 7 I CB 2.030 40.029 38.000 -0.002 0.000 1.238 7 I HN 0.319 8.529 8.210 0.000 0.000 0.420 8 A N 4.228 126.980 122.820 -0.115 0.000 2.483 8 A HA 0.804 5.123 4.320 -0.002 0.000 0.308 8 A C -0.294 177.341 177.584 0.084 0.000 1.291 8 A CA -0.481 51.530 52.037 -0.043 0.000 0.774 8 A CB 0.778 19.621 19.000 -0.262 0.000 1.134 8 A HN 0.847 8.997 8.150 0.000 0.000 0.471 9 A N 1.860 124.776 122.820 0.160 0.000 2.271 9 A HA 0.747 5.066 4.320 -0.002 0.000 0.317 9 A C 0.377 178.040 177.584 0.133 0.000 1.245 9 A CA 0.059 52.146 52.037 0.084 0.000 0.857 9 A CB 0.660 19.671 19.000 0.019 0.000 1.175 9 A HN 1.904 10.054 8.150 0.000 0.000 0.512 10 A N 3.318 126.050 122.820 -0.146 0.000 2.310 10 A HA 0.513 4.832 4.320 -0.002 0.000 0.300 10 A C 0.059 177.458 177.584 -0.308 0.000 1.269 10 A CA -0.496 51.294 52.037 -0.411 0.000 0.909 10 A CB -0.241 18.204 19.000 -0.926 0.000 1.144 10 A HN 0.760 8.910 8.150 0.000 0.000 0.540 11 N N 2.459 121.116 118.700 -0.072 0.000 2.419 11 N HA 0.238 4.977 4.740 -0.002 0.000 0.277 11 N C 0.092 175.687 175.510 0.142 0.000 1.006 11 N CA -0.675 52.366 53.050 -0.015 0.000 0.923 11 N CB 0.496 39.027 38.487 0.073 0.000 1.140 11 N HN 0.657 9.037 8.380 0.000 0.000 0.488 12 W N 3.405 124.678 121.300 -0.045 0.000 2.863 12 W HA 0.226 4.885 4.660 -0.001 0.000 0.258 12 W C 1.050 177.542 176.519 -0.046 0.000 1.298 12 W CA -0.199 57.119 57.345 -0.046 0.000 1.451 12 W CB -0.480 28.956 29.460 -0.040 0.000 1.107 12 W HN 0.590 8.770 8.180 0.000 0.000 0.641 13 K N -0.968 119.509 120.400 0.128 0.000 1.939 13 K HA -0.357 3.962 4.320 -0.002 0.000 0.165 13 K C 0.225 176.843 176.600 0.029 0.000 1.508 13 K CA 1.457 57.753 56.287 0.015 0.000 0.525 13 K CB -1.615 30.889 32.500 0.005 0.000 0.615 13 K HN -0.004 8.246 8.250 0.000 0.000 0.888 14 C N 3.455 122.766 119.300 0.018 0.000 2.298 14 C HA 0.353 4.812 4.460 -0.002 0.000 0.451 14 C C -0.641 174.366 174.990 0.028 0.000 1.028 14 C CA -0.271 58.762 59.018 0.025 0.000 1.324 14 C CB -2.115 25.644 27.740 0.031 0.000 1.534 14 C HN 0.370 8.600 8.230 0.000 0.000 0.528 15 N N 1.305 120.026 118.700 0.035 0.000 2.710 15 N HA 0.682 5.421 4.740 -0.002 0.000 0.257 15 N C -0.551 174.930 175.510 -0.048 0.000 1.327 15 N CA 0.339 53.380 53.050 -0.015 0.000 0.861 15 N CB 2.146 40.599 38.487 -0.058 0.000 1.532 15 N HN 0.728 9.108 8.380 0.000 0.000 0.499 16 G N -0.244 108.485 108.800 -0.119 0.000 2.359 16 G HA2 0.378 4.336 3.960 -0.002 0.000 0.314 16 G HA3 0.378 4.336 3.960 -0.002 0.000 0.314 16 G C -1.751 173.040 174.900 -0.181 0.000 1.364 16 G CA -0.038 44.919 45.100 -0.240 0.000 0.978 16 G HN 1.151 9.441 8.290 0.000 0.000 0.615 17 S N -1.395 114.100 115.700 -0.342 0.000 2.580 17 S HA 0.464 4.933 4.470 -0.002 0.000 0.281 17 S C 0.503 174.900 174.600 -0.339 0.000 1.129 17 S CA 0.284 58.337 58.200 -0.246 0.000 0.862 17 S CB 1.581 64.696 63.200 -0.141 0.000 1.090 17 S HN 0.886 9.196 8.310 0.000 0.000 0.451 18 Q N 0.912 120.590 119.800 -0.203 0.000 2.096 18 Q HA -0.174 4.165 4.340 -0.002 0.000 0.204 18 Q C 2.005 177.904 176.000 -0.167 0.000 0.982 18 Q CA 2.081 57.779 55.803 -0.175 0.000 0.850 18 Q CB -0.162 28.545 28.738 -0.051 0.000 0.901 18 Q HN 0.805 9.075 8.270 0.000 0.000 0.422 19 Q N -0.402 119.314 119.800 -0.140 0.000 2.083 19 Q HA -0.131 4.208 4.340 -0.002 0.000 0.198 19 Q C 2.211 178.111 176.000 -0.167 0.000 0.969 19 Q CA 1.583 57.310 55.803 -0.127 0.000 0.838 19 Q CB 0.143 28.824 28.738 -0.095 0.000 0.900 19 Q HN 0.420 8.690 8.270 0.000 0.000 0.436 20 S N 0.140 115.717 115.700 -0.205 0.000 2.387 20 S HA -0.084 4.385 4.470 -0.002 0.000 0.226 20 S C 1.998 176.401 174.600 -0.329 0.000 1.026 20 S CA 0.645 58.700 58.200 -0.241 0.000 0.972 20 S CB -0.572 62.482 63.200 -0.243 0.000 0.814 20 S HN 0.331 8.641 8.310 0.000 0.000 0.477 21 L N 2.073 123.055 121.223 -0.402 0.000 2.046 21 L HA -0.075 4.264 4.340 -0.002 0.000 0.208 21 L C 2.864 179.547 176.870 -0.313 0.000 1.077 21 L CA 1.456 55.999 54.840 -0.495 0.000 0.747 21 L CB -1.183 40.492 42.059 -0.639 0.000 0.896 21 L HN 0.319 8.549 8.230 0.000 0.000 0.432 22 S N -0.187 115.383 115.700 -0.217 0.000 2.400 22 S HA -0.199 4.270 4.470 -0.002 0.000 0.232 22 S C 1.787 176.288 174.600 -0.165 0.000 1.025 22 S CA 1.345 59.458 58.200 -0.144 0.000 0.993 22 S CB -0.342 62.798 63.200 -0.099 0.000 0.808 22 S HN 0.464 8.774 8.310 0.000 0.000 0.478 23 E N 0.793 120.878 120.200 -0.191 0.000 2.038 23 E HA -0.147 4.202 4.350 -0.002 0.000 0.195 23 E C 1.972 178.428 176.600 -0.240 0.000 1.000 23 E CA 1.041 57.332 56.400 -0.182 0.000 0.803 23 E CB -0.249 29.352 29.700 -0.165 0.000 0.750 23 E HN 0.205 8.565 8.360 0.000 0.000 0.448 24 L N 0.829 121.846 121.223 -0.344 0.000 1.955 24 L HA -0.208 4.131 4.340 -0.002 0.000 0.213 24 L C 2.272 178.746 176.870 -0.660 0.000 1.072 24 L CA 1.537 56.043 54.840 -0.558 0.000 0.755 24 L CB -0.759 40.910 42.059 -0.651 0.000 0.888 24 L HN 0.190 8.420 8.230 0.000 0.000 0.432 25 I N -0.271 120.051 120.570 -0.415 0.000 2.143 25 I HA -0.413 3.756 4.170 -0.002 0.000 0.245 25 I C 2.087 178.118 176.117 -0.143 0.000 1.068 25 I CA 1.738 62.922 61.300 -0.194 0.000 1.326 25 I CB -0.437 37.542 38.000 -0.035 0.000 1.028 25 I HN 0.339 8.549 8.210 0.000 0.000 0.412 26 D N 0.235 120.555 120.400 -0.134 0.000 2.144 26 D HA -0.169 4.470 4.640 -0.002 0.000 0.199 26 D C 2.111 178.373 176.300 -0.063 0.000 0.984 26 D CA 1.010 54.965 54.000 -0.075 0.000 0.834 26 D CB -0.230 40.526 40.800 -0.073 0.000 0.955 26 D HN 0.336 8.706 8.370 0.000 0.000 0.465 27 L N -0.323 120.827 121.223 -0.122 0.000 2.023 27 L HA -0.158 4.181 4.340 -0.002 0.000 0.205 27 L C 2.124 179.034 176.870 0.068 0.000 1.073 27 L CA 1.065 55.875 54.840 -0.050 0.000 0.745 27 L CB -0.247 41.761 42.059 -0.086 0.000 0.900 27 L HN -0.105 8.125 8.230 0.000 0.000 0.435 28 F N 1.219 121.112 119.950 -0.096 0.000 2.063 28 F HA -0.298 4.229 4.527 -0.001 0.000 0.298 28 F C 2.540 178.161 175.800 -0.299 0.000 1.109 28 F CA 1.489 59.354 58.000 -0.224 0.000 1.212 28 F CB -1.606 37.058 39.000 -0.560 0.000 0.973 28 F HN 0.267 8.567 8.300 0.000 0.000 0.480 29 N N -0.031 118.663 118.700 -0.011 0.000 2.192 29 N HA -0.150 4.589 4.740 -0.002 0.000 0.188 29 N C 1.618 177.203 175.510 0.125 0.000 1.013 29 N CA 1.528 54.607 53.050 0.048 0.000 0.863 29 N CB -0.544 37.975 38.487 0.053 0.000 0.990 29 N HN 0.313 8.693 8.380 0.000 0.000 0.430 30 S N -1.716 114.031 115.700 0.077 0.000 2.583 30 S HA 0.215 4.684 4.470 -0.002 0.000 0.239 30 S C 0.463 175.117 174.600 0.091 0.000 0.966 30 S CA -0.595 57.661 58.200 0.094 0.000 0.973 30 S CB 0.034 63.270 63.200 0.061 0.000 0.794 30 S HN -0.093 8.217 8.310 0.000 0.000 0.463 31 T N 2.175 116.763 114.554 0.057 0.000 2.913 31 T HA 0.432 4.781 4.350 -0.002 0.000 0.287 31 T C -0.216 174.552 174.700 0.114 0.000 1.008 31 T CA -0.218 61.918 62.100 0.059 0.000 1.067 31 T CB 1.483 70.381 68.868 0.050 0.000 0.996 31 T HN 0.226 8.466 8.240 0.000 0.000 0.513 32 S N 1.772 117.543 115.700 0.117 0.000 2.438 32 S HA 0.598 5.067 4.470 -0.002 0.000 0.316 32 S C -0.581 174.097 174.600 0.129 0.000 1.084 32 S CA -0.628 57.660 58.200 0.147 0.000 1.107 32 S CB -0.260 63.002 63.200 0.102 0.000 0.981 32 S HN 0.445 8.755 8.310 0.000 0.000 0.466 33 I N 4.404 125.071 120.570 0.162 0.000 2.569 33 I HA 0.481 4.650 4.170 -0.002 0.000 0.296 33 I C 0.591 176.754 176.117 0.077 0.000 1.028 33 I CA -0.450 60.901 61.300 0.086 0.000 1.082 33 I CB 2.045 40.044 38.000 -0.003 0.000 1.264 33 I HN 0.515 8.725 8.210 0.000 0.000 0.429 34 N N 1.327 120.093 118.700 0.111 0.000 2.360 34 N HA 0.072 4.811 4.740 -0.002 0.000 0.211 34 N C 0.093 175.663 175.510 0.099 0.000 1.147 34 N CA 0.076 53.184 53.050 0.097 0.000 0.866 34 N CB 0.167 38.719 38.487 0.109 0.000 1.206 34 N HN 0.716 9.096 8.380 0.000 0.000 0.478 35 H N -0.401 118.666 119.070 -0.006 0.000 2.408 35 H HA 0.377 4.931 4.556 -0.002 0.000 0.352 35 H C -0.581 174.735 175.328 -0.021 0.000 1.607 35 H CA -0.643 55.398 56.048 -0.013 0.000 1.445 35 H CB 0.402 30.153 29.762 -0.018 0.000 1.664 35 H HN -0.243 8.037 8.280 0.000 0.000 0.605 36 D N 0.485 120.922 120.400 0.063 0.000 2.411 36 D HA 0.266 4.905 4.640 -0.002 0.000 0.225 36 D C -1.335 174.918 176.300 -0.079 0.000 1.156 36 D CA -0.160 53.822 54.000 -0.029 0.000 0.874 36 D CB 0.574 41.393 40.800 0.032 0.000 1.034 36 D HN 0.418 8.788 8.370 0.000 0.000 0.502 37 V N 3.302 123.079 119.914 -0.229 0.000 3.049 37 V HA 0.555 4.673 4.120 -0.002 0.000 0.309 37 V C -1.749 174.199 176.094 -0.245 0.000 1.148 37 V CA -0.693 61.453 62.300 -0.257 0.000 0.990 37 V CB 2.363 33.929 31.823 -0.428 0.000 1.039 37 V HN 0.405 8.595 8.190 0.000 0.000 0.430 38 Q N 3.498 123.160 119.800 -0.230 0.000 2.339 38 Q HA 0.543 4.881 4.340 -0.002 0.000 0.268 38 Q C -1.196 174.567 176.000 -0.395 0.000 1.027 38 Q CA -0.102 55.539 55.803 -0.269 0.000 0.759 38 Q CB 1.253 29.903 28.738 -0.147 0.000 1.244 38 Q HN 0.907 9.177 8.270 0.000 0.000 0.464 39 C N 2.985 121.944 119.300 -0.569 0.000 2.401 39 C HA 0.807 5.266 4.460 -0.002 0.000 0.365 39 C C -0.428 174.253 174.990 -0.515 0.000 1.250 39 C CA -0.569 58.005 59.018 -0.741 0.000 2.131 39 C CB 0.482 27.105 27.740 -1.862 0.000 2.445 39 C HN 0.641 8.871 8.230 0.000 0.000 0.550 40 V N 4.353 124.078 119.914 -0.316 0.000 2.509 40 V HA 0.221 4.340 4.120 -0.002 0.000 0.289 40 V C -0.346 175.595 176.094 -0.256 0.000 1.026 40 V CA -0.425 61.671 62.300 -0.341 0.000 0.872 40 V CB 1.420 32.906 31.823 -0.561 0.000 1.017 40 V HN 0.662 8.852 8.190 0.000 0.000 0.436 41 V N 4.317 124.083 119.914 -0.248 0.000 2.427 41 V HA 0.536 4.655 4.120 -0.002 0.000 0.268 41 V C 0.856 176.656 176.094 -0.489 0.000 1.046 41 V CA 0.051 62.045 62.300 -0.509 0.000 0.970 41 V CB 1.375 32.893 31.823 -0.508 0.000 1.001 41 V HN 0.970 9.160 8.190 0.000 0.000 0.476 42 A N 5.007 127.505 122.820 -0.536 0.000 2.341 42 A HA 0.663 4.982 4.320 -0.002 0.000 0.326 42 A C 0.500 177.945 177.584 -0.231 0.000 1.402 42 A CA -0.282 51.580 52.037 -0.291 0.000 0.957 42 A CB 0.276 19.183 19.000 -0.154 0.000 1.151 42 A HN 0.903 9.053 8.150 0.000 0.000 0.533 43 S N 1.726 117.366 115.700 -0.100 0.000 2.722 43 S HA 0.706 5.175 4.470 -0.002 0.000 0.292 43 S C 0.497 175.109 174.600 0.020 0.000 1.135 43 S CA 0.125 58.412 58.200 0.144 0.000 1.003 43 S CB 0.922 64.340 63.200 0.363 0.000 1.067 43 S HN 1.344 9.654 8.310 0.000 0.000 0.546 44 T N -0.323 114.289 114.554 0.097 0.000 2.900 44 T HA 0.214 4.563 4.350 -0.002 0.000 0.307 44 T C 0.754 175.384 174.700 -0.116 0.000 1.065 44 T CA -0.272 61.778 62.100 -0.083 0.000 1.105 44 T CB -0.377 68.483 68.868 -0.014 0.000 0.979 44 T HN 0.472 8.712 8.240 0.000 0.000 0.544 45 F N 1.681 121.585 119.950 -0.077 0.000 2.126 45 F HA -0.037 4.488 4.527 -0.002 0.000 0.299 45 F C 2.719 178.414 175.800 -0.175 0.000 1.096 45 F CA 0.960 58.885 58.000 -0.126 0.000 1.255 45 F CB -1.308 37.608 39.000 -0.140 0.000 0.997 45 F HN 0.392 8.692 8.300 0.000 0.000 0.479 46 V N -0.371 119.504 119.914 -0.065 0.000 2.453 46 V HA -0.329 3.790 4.120 -0.002 0.000 0.252 46 V C 1.672 177.613 176.094 -0.255 0.000 1.068 46 V CA 2.258 64.417 62.300 -0.235 0.000 1.070 46 V CB -1.046 30.545 31.823 -0.386 0.000 0.664 46 V HN 0.500 8.690 8.190 0.000 0.000 0.461 47 H N -1.377 117.734 119.070 0.068 0.000 2.539 47 H HA 0.214 4.768 4.556 -0.002 0.000 0.269 47 H C 2.021 177.419 175.328 0.117 0.000 0.980 47 H CA -0.222 55.882 56.048 0.094 0.000 1.152 47 H CB 0.135 29.971 29.762 0.123 0.000 1.407 47 H HN 0.289 8.569 8.280 0.000 0.000 0.564 48 L N 0.483 121.798 121.223 0.153 0.000 1.971 48 L HA -0.275 4.064 4.340 -0.002 0.000 0.215 48 L C 2.759 179.787 176.870 0.264 0.000 1.072 48 L CA 1.442 56.368 54.840 0.143 0.000 0.758 48 L CB -0.675 41.358 42.059 -0.044 0.000 0.889 48 L HN 0.419 8.649 8.230 0.000 0.000 0.433 49 A N -0.037 122.952 122.820 0.282 0.000 1.917 49 A HA -0.312 4.007 4.320 -0.002 0.000 0.219 49 A C 2.334 180.062 177.584 0.240 0.000 1.182 49 A CA 2.360 54.621 52.037 0.374 0.000 0.633 49 A CB -0.660 18.561 19.000 0.369 0.000 0.819 49 A HN 0.591 8.741 8.150 0.000 0.000 0.448 50 M N -0.811 118.913 119.600 0.207 0.000 2.086 50 M HA -0.130 4.349 4.480 -0.002 0.000 0.261 50 M C 1.844 178.231 176.300 0.145 0.000 1.067 50 M CA 2.494 57.888 55.300 0.157 0.000 1.116 50 M CB -0.589 32.096 32.600 0.142 0.000 1.348 50 M HN 0.282 8.572 8.290 0.000 0.000 0.407 51 T N 0.668 115.331 114.554 0.183 0.000 2.896 51 T HA -0.077 4.272 4.350 -0.002 0.000 0.263 51 T C 1.649 176.437 174.700 0.147 0.000 1.050 51 T CA 1.641 63.845 62.100 0.174 0.000 1.140 51 T CB -0.153 68.851 68.868 0.227 0.000 0.877 51 T HN 0.398 8.638 8.240 0.000 0.000 0.457 52 K N 1.812 122.323 120.400 0.184 0.000 2.002 52 K HA -0.088 4.231 4.320 -0.002 0.000 0.209 52 K C 1.693 178.364 176.600 0.117 0.000 1.048 52 K CA 1.520 57.913 56.287 0.176 0.000 0.930 52 K CB -0.192 32.476 32.500 0.281 0.000 0.714 52 K HN 0.021 8.271 8.250 0.000 0.000 0.438 53 E N -0.409 119.856 120.200 0.109 0.000 2.403 53 E HA 0.133 4.482 4.350 -0.002 0.000 0.188 53 E C 0.948 177.584 176.600 0.061 0.000 1.056 53 E CA 0.002 56.444 56.400 0.070 0.000 0.892 53 E CB 0.378 30.111 29.700 0.055 0.000 1.049 53 E HN 0.141 8.501 8.360 0.000 0.000 0.465 54 R N -0.574 119.967 120.500 0.067 0.000 2.350 54 R HA 0.197 4.536 4.340 -0.002 0.000 0.199 54 R C -0.082 176.245 176.300 0.046 0.000 0.876 54 R CA -0.177 55.953 56.100 0.051 0.000 1.062 54 R CB -0.059 30.272 30.300 0.051 0.000 1.263 54 R HN 0.140 8.410 8.270 0.000 0.000 0.641 55 L N 2.621 123.877 121.223 0.054 0.000 2.638 55 L HA 0.010 4.349 4.340 -0.002 0.000 0.273 55 L C 1.267 178.173 176.870 0.060 0.000 1.147 55 L CA 0.613 55.475 54.840 0.037 0.000 0.941 55 L CB 0.739 42.821 42.059 0.037 0.000 1.251 55 L HN 0.058 8.288 8.230 0.000 0.000 0.479 56 S N 3.689 119.431 115.700 0.070 0.000 2.421 56 S HA -0.058 4.411 4.470 -0.002 0.000 0.224 56 S C 0.911 175.584 174.600 0.121 0.000 1.035 56 S CA 0.099 58.349 58.200 0.083 0.000 0.953 56 S CB -0.283 62.956 63.200 0.066 0.000 0.810 56 S HN 0.782 9.092 8.310 0.000 0.000 0.497 57 H N 3.064 122.175 119.070 0.069 0.000 3.152 57 H HA 0.075 4.630 4.556 -0.002 0.000 0.319 57 H C -1.689 173.737 175.328 0.163 0.000 0.994 57 H CA 0.059 56.195 56.048 0.146 0.000 1.370 57 H CB 0.938 30.856 29.762 0.260 0.000 1.322 57 H HN 0.225 8.505 8.280 0.000 0.000 0.590 58 P HA -0.011 4.409 4.420 0.000 0.000 0.227 58 P C 0.471 177.749 177.300 -0.038 0.000 1.161 58 P CA 0.996 64.031 63.100 -0.107 0.000 0.788 58 P CB 0.371 31.979 31.700 -0.154 0.000 0.822 59 K N -1.312 119.092 120.400 0.008 0.000 2.504 59 K HA 0.203 4.522 4.320 -0.002 0.000 0.199 59 K C -0.487 176.024 176.600 -0.148 0.000 1.028 59 K CA 0.056 56.332 56.287 -0.018 0.000 1.164 59 K CB -0.363 32.154 32.500 0.027 0.000 0.877 59 K HN 0.038 8.288 8.250 0.000 0.000 0.508 60 F N -0.210 119.767 119.950 0.046 0.000 2.561 60 F HA 0.334 4.861 4.527 -0.001 0.000 0.313 60 F C -0.468 175.291 175.800 -0.069 0.000 1.126 60 F CA -1.224 56.755 58.000 -0.034 0.000 0.918 60 F CB 1.746 40.767 39.000 0.034 0.000 1.199 60 F HN -0.291 8.009 8.300 0.000 0.000 0.444 61 V N 2.940 122.871 119.914 0.029 0.000 2.962 61 V HA 0.732 4.851 4.120 -0.002 0.000 0.313 61 V C -0.596 175.448 176.094 -0.084 0.000 1.099 61 V CA -1.041 61.234 62.300 -0.041 0.000 0.971 61 V CB 1.910 33.640 31.823 -0.155 0.000 1.028 61 V HN 0.741 8.931 8.190 0.000 0.000 0.430 62 I N 1.645 122.213 120.570 -0.004 0.000 2.566 62 I HA 0.981 5.150 4.170 -0.002 0.000 0.303 62 I C 0.047 176.204 176.117 0.067 0.000 0.983 62 I CA -0.430 60.869 61.300 -0.002 0.000 1.235 62 I CB 1.591 39.629 38.000 0.064 0.000 1.386 62 I HN 1.066 9.276 8.210 0.000 0.000 0.494 63 A N 4.011 126.862 122.820 0.052 0.000 2.423 63 A HA 0.899 5.218 4.320 -0.002 0.000 0.304 63 A C -0.620 177.024 177.584 0.100 0.000 1.104 63 A CA -0.669 51.465 52.037 0.162 0.000 0.757 63 A CB 1.504 20.596 19.000 0.154 0.000 1.313 63 A HN 1.115 9.265 8.150 0.000 0.000 0.423 64 A N -0.025 122.876 122.820 0.134 0.000 2.305 64 A HA 0.555 4.874 4.320 -0.002 0.000 0.322 64 A C 0.299 177.851 177.584 -0.053 0.000 1.187 64 A CA -0.515 51.551 52.037 0.049 0.000 0.825 64 A CB 0.378 19.487 19.000 0.183 0.000 1.164 64 A HN 0.828 8.978 8.150 0.000 0.000 0.498 65 Q N 0.623 120.286 119.800 -0.228 0.000 2.482 65 Q HA 0.081 4.420 4.340 -0.002 0.000 0.209 65 Q C 0.083 175.999 176.000 -0.138 0.000 0.961 65 Q CA 0.632 56.327 55.803 -0.180 0.000 0.945 65 Q CB -0.059 28.554 28.738 -0.208 0.000 1.012 65 Q HN 0.730 9.000 8.270 0.000 0.000 0.515 66 N N -1.156 117.480 118.700 -0.107 0.000 3.856 66 N HA 0.495 5.234 4.740 -0.002 0.000 0.237 66 N C -2.175 173.447 175.510 0.187 0.000 1.351 66 N CA 0.165 53.223 53.050 0.012 0.000 0.805 66 N CB 0.371 38.851 38.487 -0.011 0.000 1.487 66 N HN -0.011 8.369 8.380 0.000 0.000 0.431 67 A N -0.254 122.625 122.820 0.098 0.000 2.452 67 A HA 0.589 4.907 4.320 -0.002 0.000 0.294 67 A C -1.737 175.798 177.584 -0.081 0.000 1.010 67 A CA -0.288 51.765 52.037 0.027 0.000 0.613 67 A CB -0.101 18.880 19.000 -0.033 0.000 1.363 67 A HN 1.107 9.257 8.150 0.000 0.000 0.463 68 I N -2.419 118.070 120.570 -0.136 0.000 2.603 68 I HA 0.800 4.969 4.170 -0.002 0.000 0.300 68 I C 0.934 176.934 176.117 -0.196 0.000 1.017 68 I CA -0.355 60.825 61.300 -0.200 0.000 1.098 68 I CB 2.188 40.013 38.000 -0.293 0.000 1.279 68 I HN 0.993 9.204 8.210 0.000 0.000 0.437 69 A N 4.038 126.740 122.820 -0.195 0.000 2.172 69 A HA 0.051 4.370 4.320 -0.002 0.000 0.216 69 A C 0.952 178.467 177.584 -0.115 0.000 1.154 69 A CA 1.058 53.003 52.037 -0.154 0.000 0.701 69 A CB -0.219 18.704 19.000 -0.129 0.000 0.789 69 A HN 0.773 8.923 8.150 0.000 0.000 0.465 70 K N -0.283 120.032 120.400 -0.141 0.000 2.525 70 K HA 0.433 4.751 4.320 -0.002 0.000 0.254 70 K C -1.015 175.624 176.600 0.066 0.000 0.934 70 K CA -0.470 55.793 56.287 -0.039 0.000 0.802 70 K CB 1.687 34.172 32.500 -0.025 0.000 1.295 70 K HN 0.119 8.369 8.250 0.000 0.000 0.433 71 S N 0.929 116.699 115.700 0.117 0.000 2.579 71 S HA 0.652 5.121 4.470 -0.002 0.000 0.275 71 S C 0.245 175.006 174.600 0.269 0.000 1.345 71 S CA 0.551 58.855 58.200 0.173 0.000 1.031 71 S CB 1.179 64.430 63.200 0.085 0.000 0.892 71 S HN 0.934 9.244 8.310 0.000 0.000 0.529 72 G N 0.280 109.195 108.800 0.191 0.000 2.291 72 G HA2 0.374 4.333 3.960 -0.002 0.000 0.249 72 G HA3 0.374 4.333 3.960 -0.002 0.000 0.249 72 G C -1.081 173.566 174.900 -0.422 0.000 1.340 72 G CA -0.410 44.633 45.100 -0.096 0.000 1.017 72 G HN 1.025 9.315 8.290 0.000 0.000 0.470 73 A N 0.135 122.449 122.820 -0.843 0.000 2.805 73 A HA 0.690 5.009 4.320 -0.002 0.000 0.301 73 A C -0.779 176.115 177.584 -1.150 0.000 1.557 73 A CA 0.111 51.682 52.037 -0.776 0.000 1.254 73 A CB -1.365 17.327 19.000 -0.513 0.000 1.114 73 A HN 1.313 9.463 8.150 0.000 0.000 0.553 74 F N 0.652 120.578 119.950 -0.039 0.000 3.228 74 F HA 0.208 4.733 4.527 -0.002 0.000 0.390 74 F C 0.412 176.179 175.800 -0.054 0.000 1.235 74 F CA -0.618 57.357 58.000 -0.043 0.000 1.236 74 F CB 0.419 39.392 39.000 -0.046 0.000 1.855 74 F HN 0.170 8.470 8.300 0.000 0.000 0.647 75 T N 1.271 115.853 114.554 0.046 0.000 2.930 75 T HA 0.404 4.753 4.350 -0.002 0.000 0.306 75 T C 1.198 175.908 174.700 0.016 0.000 1.045 75 T CA 1.536 63.640 62.100 0.007 0.000 1.134 75 T CB 1.038 69.897 68.868 -0.015 0.000 0.961 75 T HN 1.110 9.350 8.240 0.000 0.000 0.545 76 G N 2.566 111.358 108.800 -0.013 0.000 2.363 76 G HA2 -0.211 3.748 3.960 -0.002 0.000 0.238 76 G HA3 -0.211 3.748 3.960 -0.002 0.000 0.238 76 G C 0.110 174.983 174.900 -0.045 0.000 1.062 76 G CA -0.153 44.933 45.100 -0.023 0.000 0.629 76 G HN 0.652 8.942 8.290 0.000 0.000 0.514 77 E N 0.396 120.580 120.200 -0.027 0.000 2.343 77 E HA 0.529 4.877 4.350 -0.002 0.000 0.269 77 E C -0.028 176.463 176.600 -0.182 0.000 1.047 77 E CA -0.202 56.156 56.400 -0.070 0.000 0.874 77 E CB 2.062 31.762 29.700 0.000 0.000 1.033 77 E HN 0.470 8.830 8.360 0.000 0.000 0.409 78 V N 1.364 121.080 119.914 -0.331 0.000 2.443 78 V HA 0.251 4.370 4.120 -0.002 0.000 0.293 78 V C 0.300 176.226 176.094 -0.280 0.000 1.021 78 V CA -0.911 61.093 62.300 -0.493 0.000 0.848 78 V CB 1.223 32.275 31.823 -1.284 0.000 0.998 78 V HN 0.696 8.886 8.190 0.000 0.000 0.424 79 S N 4.843 120.443 115.700 -0.166 0.000 2.672 79 S HA 0.499 4.968 4.470 -0.002 0.000 0.276 79 S C 1.018 175.574 174.600 -0.073 0.000 1.207 79 S CA -0.673 57.462 58.200 -0.109 0.000 1.002 79 S CB 1.336 64.502 63.200 -0.056 0.000 0.998 79 S HN 0.359 8.669 8.310 0.000 0.000 0.542 80 L N 1.351 122.513 121.223 -0.101 0.000 2.034 80 L HA -0.011 4.328 4.340 -0.002 0.000 0.217 80 L C -0.672 176.261 176.870 0.105 0.000 1.077 80 L CA 1.937 56.709 54.840 -0.114 0.000 0.769 80 L CB -2.714 39.228 42.059 -0.194 0.000 0.890 80 L HN 0.611 8.841 8.230 0.000 0.000 0.435 81 P HA -0.035 4.385 4.420 0.000 0.000 0.220 81 P C 2.252 179.628 177.300 0.126 0.000 1.152 81 P CA 0.953 64.124 63.100 0.119 0.000 0.812 81 P CB 0.205 31.949 31.700 0.073 0.000 0.792 82 I N -1.222 119.403 120.570 0.092 0.000 2.252 82 I HA -0.207 3.962 4.170 -0.002 0.000 0.245 82 I C 2.122 178.352 176.117 0.189 0.000 1.102 82 I CA 1.369 62.726 61.300 0.096 0.000 1.385 82 I CB -0.389 37.618 38.000 0.012 0.000 1.064 82 I HN -0.121 8.089 8.210 0.000 0.000 0.414 83 L N 0.102 121.451 121.223 0.211 0.000 2.131 83 L HA -0.163 4.176 4.340 -0.002 0.000 0.206 83 L C 2.512 179.613 176.870 0.385 0.000 1.087 83 L CA 0.998 56.036 54.840 0.331 0.000 0.767 83 L CB -0.525 41.750 42.059 0.360 0.000 0.917 83 L HN 0.150 8.380 8.230 0.000 0.000 0.441 84 K N 0.609 121.241 120.400 0.386 0.000 1.991 84 K HA -0.278 4.041 4.320 -0.002 0.000 0.212 84 K C 1.985 178.673 176.600 0.147 0.000 1.049 84 K CA 2.123 58.559 56.287 0.250 0.000 0.932 84 K CB -0.265 32.383 32.500 0.246 0.000 0.717 84 K HN 0.282 8.532 8.250 0.000 0.000 0.441 85 D N -0.240 120.248 120.400 0.147 0.000 2.263 85 D HA -0.204 4.435 4.640 -0.002 0.000 0.208 85 D C 1.779 178.133 176.300 0.091 0.000 0.971 85 D CA 0.788 54.844 54.000 0.095 0.000 0.867 85 D CB -0.105 40.744 40.800 0.082 0.000 0.929 85 D HN 0.282 8.652 8.370 0.000 0.000 0.492 86 F N 0.805 120.796 119.950 0.067 0.000 2.365 86 F HA 0.074 4.600 4.527 -0.002 0.000 0.300 86 F C 1.892 177.731 175.800 0.065 0.000 1.090 86 F CA 1.942 59.984 58.000 0.070 0.000 1.408 86 F CB 0.092 39.147 39.000 0.092 0.000 1.060 86 F HN 0.219 8.519 8.300 0.000 0.000 0.534 87 G N -0.074 108.775 108.800 0.082 0.000 2.148 87 G HA2 -0.182 3.777 3.960 -0.002 0.000 0.203 87 G HA3 -0.182 3.777 3.960 -0.002 0.000 0.203 87 G C -0.413 174.563 174.900 0.127 0.000 0.993 87 G CA 0.018 45.133 45.100 0.024 0.000 0.661 87 G HN 0.241 8.531 8.290 0.000 0.000 0.518 88 V N 0.769 120.820 119.914 0.229 0.000 2.350 88 V HA 0.483 4.602 4.120 -0.002 0.000 0.276 88 V C 0.885 177.041 176.094 0.104 0.000 1.028 88 V CA 0.042 62.495 62.300 0.255 0.000 0.860 88 V CB 1.434 33.475 31.823 0.363 0.000 0.990 88 V HN 0.264 8.454 8.190 0.000 0.000 0.453 89 N N 2.945 121.668 118.700 0.038 0.000 2.205 89 N HA 0.194 4.933 4.740 -0.002 0.000 0.201 89 N C -0.524 175.008 175.510 0.037 0.000 1.128 89 N CA -0.065 52.845 53.050 -0.233 0.000 0.867 89 N CB 0.416 38.784 38.487 -0.198 0.000 0.996 89 N HN 0.694 9.074 8.380 0.000 0.000 0.503 90 W N 0.234 121.624 121.300 0.150 0.000 2.799 90 W HA 0.639 5.298 4.660 -0.002 0.000 0.349 90 W C -0.753 175.924 176.519 0.263 0.000 1.100 90 W CA -0.621 56.840 57.345 0.193 0.000 1.174 90 W CB 1.309 30.824 29.460 0.092 0.000 1.427 90 W HN -0.345 7.835 8.180 0.000 0.000 0.547 91 I N 2.120 122.946 120.570 0.428 0.000 2.731 91 I HA 0.277 4.445 4.170 -0.002 0.000 0.289 91 I C -1.599 174.619 176.117 0.169 0.000 1.399 91 I CA -0.789 60.657 61.300 0.242 0.000 1.048 91 I CB 1.332 39.401 38.000 0.114 0.000 1.345 91 I HN 0.044 8.254 8.210 0.000 0.000 0.425 92 V N 7.760 127.745 119.914 0.119 0.000 2.498 92 V HA 0.451 4.570 4.120 -0.002 0.000 0.279 92 V C -0.260 175.866 176.094 0.054 0.000 1.048 92 V CA -0.073 62.287 62.300 0.100 0.000 0.967 92 V CB 1.399 33.281 31.823 0.098 0.000 0.988 92 V HN 0.447 8.637 8.190 0.000 0.000 0.473 93 L N 3.953 125.199 121.223 0.038 0.000 2.470 93 L HA 0.785 5.123 4.340 -0.002 0.000 0.268 93 L C 0.655 177.529 176.870 0.007 0.000 0.964 93 L CA 0.252 55.097 54.840 0.007 0.000 0.839 93 L CB 2.042 44.079 42.059 -0.036 0.000 1.276 93 L HN 0.799 9.029 8.230 0.000 0.000 0.403 94 G N 0.188 108.998 108.800 0.017 0.000 2.253 94 G HA2 -0.225 3.734 3.960 -0.002 0.000 0.209 94 G HA3 -0.225 3.734 3.960 -0.002 0.000 0.209 94 G C 0.338 175.244 174.900 0.010 0.000 0.997 94 G CA -0.349 44.751 45.100 -0.001 0.000 0.640 94 G HN 0.691 8.981 8.290 0.000 0.000 0.496 95 H N 2.327 121.366 119.070 -0.053 0.000 3.212 95 H HA 0.061 4.616 4.556 -0.002 0.000 0.292 95 H C 2.208 177.473 175.328 -0.105 0.000 0.922 95 H CA 1.414 57.418 56.048 -0.073 0.000 1.389 95 H CB 0.830 30.553 29.762 -0.064 0.000 1.321 95 H HN 0.582 8.862 8.280 0.000 0.000 0.563 96 S N 3.278 118.931 115.700 -0.078 0.000 2.380 96 S HA -0.247 4.222 4.470 -0.002 0.000 0.229 96 S C 1.636 176.231 174.600 -0.009 0.000 1.043 96 S CA 1.759 59.927 58.200 -0.053 0.000 1.038 96 S CB -0.108 62.990 63.200 -0.170 0.000 0.872 96 S HN 0.786 9.096 8.310 0.000 0.000 0.456 97 E N 0.978 121.299 120.200 0.201 0.000 2.106 97 E HA -0.036 4.312 4.350 -0.002 0.000 0.192 97 E C 2.542 178.805 176.600 -0.563 0.000 0.984 97 E CA 1.069 57.216 56.400 -0.422 0.000 0.806 97 E CB -0.119 29.310 29.700 -0.453 0.000 0.750 97 E HN 0.566 8.926 8.360 0.000 0.000 0.458 98 R N 0.204 120.620 120.500 -0.141 0.000 2.153 98 R HA 0.045 4.384 4.340 -0.002 0.000 0.218 98 R C 2.183 178.481 176.300 -0.003 0.000 1.072 98 R CA 0.567 56.688 56.100 0.035 0.000 0.990 98 R CB -0.033 30.342 30.300 0.126 0.000 0.889 98 R HN 0.013 8.283 8.270 0.000 0.000 0.452 99 R N 0.128 120.603 120.500 -0.041 0.000 2.193 99 R HA 0.040 4.379 4.340 -0.002 0.000 0.213 99 R C 2.009 178.280 176.300 -0.047 0.000 1.055 99 R CA 1.012 57.094 56.100 -0.029 0.000 0.995 99 R CB 0.075 30.353 30.300 -0.036 0.000 0.893 99 R HN 0.155 8.425 8.270 0.000 0.000 0.459 100 A N -0.350 122.394 122.820 -0.126 0.000 1.903 100 A HA -0.048 4.271 4.320 -0.002 0.000 0.213 100 A C 0.659 178.264 177.584 0.035 0.000 1.185 100 A CA 0.845 52.825 52.037 -0.095 0.000 0.628 100 A CB 0.100 18.964 19.000 -0.228 0.000 0.830 100 A HN 0.318 8.468 8.150 0.000 0.000 0.446 101 Y N -3.731 116.413 120.300 -0.260 0.000 2.675 101 Y HA 0.391 4.940 4.550 -0.002 0.000 0.248 101 Y C -0.153 175.444 175.900 -0.506 0.000 1.161 101 Y CA -1.365 56.470 58.100 -0.442 0.000 1.203 101 Y CB -0.262 37.693 38.460 -0.842 0.000 1.262 101 Y HN 0.326 8.606 8.280 0.000 0.000 0.544 102 Y N -0.595 119.774 120.300 0.114 0.000 2.768 102 Y HA 0.547 5.096 4.550 -0.002 0.000 0.249 102 Y C 1.554 177.477 175.900 0.037 0.000 1.146 102 Y CA -0.870 57.274 58.100 0.073 0.000 1.171 102 Y CB 1.003 39.492 38.460 0.050 0.000 1.249 102 Y HN 0.156 8.436 8.280 0.000 0.000 0.567 103 G N 0.300 109.186 108.800 0.142 0.000 2.184 103 G HA2 -0.318 3.641 3.960 -0.002 0.000 0.264 103 G HA3 -0.318 3.641 3.960 -0.002 0.000 0.264 103 G C 0.272 175.205 174.900 0.056 0.000 0.975 103 G CA 0.102 45.253 45.100 0.085 0.000 0.642 103 G HN 0.441 8.731 8.290 0.000 0.000 0.536 104 E N 2.402 122.637 120.200 0.058 0.000 2.030 104 E HA 0.224 4.573 4.350 -0.002 0.000 0.267 104 E C 1.404 178.009 176.600 0.008 0.000 1.172 104 E CA 0.593 57.010 56.400 0.029 0.000 1.080 104 E CB -0.314 29.407 29.700 0.034 0.000 1.080 104 E HN 0.620 8.980 8.360 0.000 0.000 0.446 105 T N -0.448 114.108 114.554 0.005 0.000 2.766 105 T HA 0.046 4.395 4.350 -0.002 0.000 0.295 105 T C 1.261 175.953 174.700 -0.013 0.000 1.024 105 T CA -0.699 61.400 62.100 -0.003 0.000 1.018 105 T CB 0.922 69.790 68.868 0.001 0.000 1.002 105 T HN 0.139 8.379 8.240 0.000 0.000 0.532 106 N N 1.144 119.834 118.700 -0.016 0.000 2.104 106 N HA -0.120 4.619 4.740 -0.002 0.000 0.190 106 N C 1.687 177.181 175.510 -0.026 0.000 1.024 106 N CA 1.536 54.571 53.050 -0.025 0.000 0.853 106 N CB -0.475 37.997 38.487 -0.026 0.000 1.008 106 N HN 0.701 9.081 8.380 0.000 0.000 0.424 107 E N 0.795 120.983 120.200 -0.019 0.000 2.118 107 E HA -0.056 4.293 4.350 -0.002 0.000 0.195 107 E C 2.070 178.654 176.600 -0.027 0.000 0.992 107 E CA 0.567 56.955 56.400 -0.019 0.000 0.804 107 E CB -0.255 29.438 29.700 -0.012 0.000 0.741 107 E HN 0.467 8.827 8.360 0.000 0.000 0.458 108 I N -0.304 120.251 120.570 -0.025 0.000 2.233 108 I HA -0.191 3.978 4.170 -0.002 0.000 0.243 108 I C 2.031 178.123 176.117 -0.043 0.000 1.093 108 I CA 0.642 61.923 61.300 -0.032 0.000 1.380 108 I CB -0.265 37.721 38.000 -0.023 0.000 1.067 108 I HN -0.027 8.183 8.210 0.000 0.000 0.413 109 V N 1.259 121.150 119.914 -0.038 0.000 2.427 109 V HA -0.232 3.887 4.120 -0.002 0.000 0.248 109 V C 2.645 178.703 176.094 -0.060 0.000 1.051 109 V CA 1.894 64.167 62.300 -0.045 0.000 1.048 109 V CB -0.927 30.873 31.823 -0.038 0.000 0.666 109 V HN 0.487 8.677 8.190 0.000 0.000 0.456 110 A N -0.466 122.320 122.820 -0.056 0.000 2.066 110 A HA -0.156 4.163 4.320 -0.002 0.000 0.218 110 A C 1.907 179.450 177.584 -0.069 0.000 1.157 110 A CA 1.534 53.532 52.037 -0.065 0.000 0.670 110 A CB -0.339 18.631 19.000 -0.052 0.000 0.804 110 A HN 0.556 8.706 8.150 0.000 0.000 0.453 111 D N -0.235 120.127 120.400 -0.064 0.000 2.162 111 D HA -0.043 4.595 4.640 -0.002 0.000 0.205 111 D C 1.804 178.052 176.300 -0.085 0.000 0.964 111 D CA 0.919 54.879 54.000 -0.067 0.000 0.847 111 D CB -0.232 40.533 40.800 -0.060 0.000 0.988 111 D HN 0.385 8.755 8.370 0.000 0.000 0.480 112 K N 0.723 121.069 120.400 -0.091 0.000 2.020 112 K HA -0.121 4.198 4.320 -0.002 0.000 0.212 112 K C 2.170 178.697 176.600 -0.122 0.000 1.050 112 K CA 0.861 57.082 56.287 -0.110 0.000 0.929 112 K CB -0.256 32.184 32.500 -0.099 0.000 0.714 112 K HN -0.085 8.165 8.250 0.000 0.000 0.443 113 V N 1.044 120.891 119.914 -0.111 0.000 2.332 113 V HA -0.311 3.808 4.120 -0.002 0.000 0.248 113 V C 2.283 178.298 176.094 -0.132 0.000 1.055 113 V CA 2.115 64.339 62.300 -0.126 0.000 1.038 113 V CB -0.614 31.130 31.823 -0.132 0.000 0.651 113 V HN 0.451 8.641 8.190 0.000 0.000 0.450 114 A N -0.219 122.531 122.820 -0.117 0.000 1.858 114 A HA -0.149 4.170 4.320 -0.002 0.000 0.216 114 A C 2.463 179.995 177.584 -0.086 0.000 1.190 114 A CA 2.174 54.148 52.037 -0.105 0.000 0.617 114 A CB -0.982 17.969 19.000 -0.082 0.000 0.827 114 A HN 0.614 8.764 8.150 0.000 0.000 0.443 115 A N -0.186 122.583 122.820 -0.086 0.000 1.927 115 A HA 0.024 4.342 4.320 -0.002 0.000 0.220 115 A C 2.493 180.027 177.584 -0.082 0.000 1.185 115 A CA 2.577 54.566 52.037 -0.080 0.000 0.639 115 A CB -1.029 17.907 19.000 -0.107 0.000 0.820 115 A HN 1.122 9.272 8.150 0.000 0.000 0.451 116 A N -0.709 122.033 122.820 -0.130 0.000 1.872 116 A HA 0.074 4.393 4.320 -0.002 0.000 0.214 116 A C 2.235 179.856 177.584 0.062 0.000 1.187 116 A CA 1.667 53.617 52.037 -0.145 0.000 0.614 116 A CB -0.981 17.863 19.000 -0.261 0.000 0.826 116 A HN 0.459 8.609 8.150 0.000 0.000 0.442 117 V N 0.225 120.128 119.914 -0.018 0.000 2.255 117 V HA -0.276 3.842 4.120 -0.002 0.000 0.247 117 V C 2.989 179.087 176.094 0.007 0.000 1.051 117 V CA 1.967 64.254 62.300 -0.022 0.000 1.018 117 V CB -1.508 30.254 31.823 -0.101 0.000 0.641 117 V HN 0.586 8.776 8.190 0.000 0.000 0.445 118 A N 0.467 123.283 122.820 -0.007 0.000 2.139 118 A HA -0.202 4.117 4.320 -0.002 0.000 0.221 118 A C 2.390 179.998 177.584 0.040 0.000 1.159 118 A CA 2.243 54.282 52.037 0.003 0.000 0.662 118 A CB -0.522 18.471 19.000 -0.012 0.000 0.796 118 A HN 0.742 8.892 8.150 0.000 0.000 0.463 119 S N -3.009 112.750 115.700 0.099 0.000 2.512 119 S HA 0.423 4.892 4.470 -0.002 0.000 0.216 119 S C 1.219 175.911 174.600 0.155 0.000 1.006 119 S CA 1.085 59.389 58.200 0.175 0.000 0.915 119 S CB 0.161 63.500 63.200 0.232 0.000 0.824 119 S HN 1.917 10.227 8.310 0.000 0.000 0.497 120 G N 0.436 109.304 108.800 0.113 0.000 2.135 120 G HA2 -0.146 3.812 3.960 -0.002 0.000 0.183 120 G HA3 -0.146 3.812 3.960 -0.002 0.000 0.183 120 G C -0.248 174.561 174.900 -0.151 0.000 1.004 120 G CA -0.305 44.775 45.100 -0.033 0.000 0.677 120 G HN 0.398 8.688 8.290 0.000 0.000 0.512 121 F N 0.264 120.148 119.950 -0.112 0.000 2.370 121 F HA 0.810 5.336 4.527 -0.002 0.000 0.319 121 F C 0.991 176.628 175.800 -0.273 0.000 1.129 121 F CA -0.733 57.173 58.000 -0.156 0.000 1.109 121 F CB 0.903 39.839 39.000 -0.108 0.000 1.262 121 F HN -0.071 8.229 8.300 0.000 0.000 0.534 122 M N 1.741 121.162 119.600 -0.299 0.000 2.423 122 M HA 0.510 4.989 4.480 -0.002 0.000 0.335 122 M C -0.931 175.124 176.300 -0.408 0.000 1.177 122 M CA -0.667 54.242 55.300 -0.651 0.000 1.038 122 M CB 1.684 33.318 32.600 -1.609 0.000 1.641 122 M HN 0.209 8.499 8.290 0.000 0.000 0.455 123 V N 3.851 123.592 119.914 -0.289 0.000 2.876 123 V HA 0.519 4.638 4.120 -0.002 0.000 0.312 123 V C -0.178 175.910 176.094 -0.009 0.000 1.085 123 V CA -0.607 61.640 62.300 -0.089 0.000 0.945 123 V CB 2.816 34.588 31.823 -0.084 0.000 1.017 123 V HN 0.706 8.896 8.190 0.000 0.000 0.428 124 I N 3.246 123.869 120.570 0.088 0.000 2.779 124 I HA 0.410 4.579 4.170 -0.002 0.000 0.294 124 I C 0.701 176.850 176.117 0.054 0.000 1.241 124 I CA -0.338 61.035 61.300 0.123 0.000 1.069 124 I CB 0.906 39.030 38.000 0.207 0.000 1.772 124 I HN 0.669 8.879 8.210 0.000 0.000 0.582 125 A N 2.977 125.805 122.820 0.014 0.000 2.492 125 A HA 0.289 4.608 4.320 -0.002 0.000 0.254 125 A C 0.229 177.807 177.584 -0.011 0.000 1.091 125 A CA -0.005 52.024 52.037 -0.014 0.000 0.768 125 A CB -0.062 18.911 19.000 -0.044 0.000 1.028 125 A HN 0.674 8.824 8.150 0.000 0.000 0.498 126 C N 2.662 121.941 119.300 -0.034 0.000 2.398 126 C HA 0.786 5.245 4.460 -0.002 0.000 0.364 126 C C 0.365 175.312 174.990 -0.072 0.000 1.219 126 C CA -0.172 58.801 59.018 -0.076 0.000 2.312 126 C CB -0.438 27.214 27.740 -0.147 0.000 2.428 126 C HN 0.826 9.056 8.230 0.000 0.000 0.564 127 I N -0.152 120.370 120.570 -0.081 0.000 2.908 127 I HA 0.937 5.106 4.170 -0.002 0.000 0.300 127 I C -0.457 175.613 176.117 -0.078 0.000 1.385 127 I CA -0.274 60.997 61.300 -0.049 0.000 1.004 127 I CB 2.014 40.015 38.000 0.002 0.000 1.309 127 I HN 0.929 9.139 8.210 0.000 0.000 0.449 128 G N 2.609 111.385 108.800 -0.039 0.000 2.358 128 G HA2 0.379 4.338 3.960 -0.002 0.000 0.303 128 G HA3 0.379 4.338 3.960 -0.002 0.000 0.303 128 G C -2.077 172.835 174.900 0.021 0.000 1.537 128 G CA -0.547 44.512 45.100 -0.069 0.000 0.928 128 G HN 1.033 9.323 8.290 0.000 0.000 0.656 129 E N -0.008 120.274 120.200 0.136 0.000 2.227 129 E HA 0.704 5.053 4.350 -0.002 0.000 0.268 129 E C -0.400 176.320 176.600 0.199 0.000 0.990 129 E CA -0.495 55.998 56.400 0.154 0.000 0.856 129 E CB 1.974 31.775 29.700 0.169 0.000 1.159 129 E HN 0.549 8.909 8.360 0.000 0.000 0.401 130 T N 0.910 115.551 114.554 0.145 0.000 2.862 130 T HA 0.153 4.502 4.350 -0.002 0.000 0.276 130 T C 1.236 176.063 174.700 0.213 0.000 0.974 130 T CA -0.768 61.424 62.100 0.153 0.000 0.966 130 T CB 0.520 69.438 68.868 0.082 0.000 1.072 130 T HN 0.517 8.757 8.240 0.000 0.000 0.538 131 L N 1.368 122.721 121.223 0.217 0.000 2.191 131 L HA -0.108 4.231 4.340 -0.002 0.000 0.212 131 L C 2.245 179.183 176.870 0.113 0.000 1.103 131 L CA 1.815 56.783 54.840 0.213 0.000 0.769 131 L CB -0.630 41.533 42.059 0.173 0.000 0.908 131 L HN 0.738 8.968 8.230 0.000 0.000 0.438 132 Q N 0.126 119.979 119.800 0.087 0.000 2.046 132 Q HA -0.167 4.172 4.340 -0.002 0.000 0.200 132 Q C 1.919 177.943 176.000 0.040 0.000 0.975 132 Q CA 1.586 57.421 55.803 0.054 0.000 0.836 132 Q CB -0.142 28.624 28.738 0.047 0.000 0.896 132 Q HN 0.524 8.794 8.270 0.000 0.000 0.428 133 E N 0.252 120.481 120.200 0.048 0.000 1.998 133 E HA -0.208 4.141 4.350 -0.002 0.000 0.196 133 E C 1.929 178.531 176.600 0.003 0.000 1.003 133 E CA 1.076 57.493 56.400 0.029 0.000 0.829 133 E CB -0.250 29.474 29.700 0.039 0.000 0.777 133 E HN 0.183 8.543 8.360 0.000 0.000 0.460 134 R N 1.208 121.703 120.500 -0.008 0.000 2.259 134 R HA -0.344 3.995 4.340 -0.002 0.000 0.247 134 R C 2.154 178.392 176.300 -0.104 0.000 1.114 134 R CA 2.529 58.563 56.100 -0.110 0.000 0.926 134 R CB -0.326 29.817 30.300 -0.260 0.000 0.937 134 R HN 0.237 8.507 8.270 0.000 0.000 0.434 135 E N -0.240 119.927 120.200 -0.056 0.000 2.049 135 E HA -0.177 4.172 4.350 -0.002 0.000 0.198 135 E C 1.702 178.284 176.600 -0.031 0.000 1.007 135 E CA 1.808 58.184 56.400 -0.040 0.000 0.809 135 E CB -0.191 29.508 29.700 -0.002 0.000 0.749 135 E HN 0.612 8.972 8.360 0.000 0.000 0.450 136 S N -0.113 115.578 115.700 -0.016 0.000 2.803 136 S HA 0.138 4.607 4.470 -0.002 0.000 0.226 136 S C 1.142 175.731 174.600 -0.018 0.000 0.962 136 S CA 0.337 58.530 58.200 -0.012 0.000 0.968 136 S CB -0.180 63.019 63.200 -0.001 0.000 0.786 136 S HN 0.372 8.682 8.310 0.000 0.000 0.527 137 G N 1.688 110.468 108.800 -0.033 0.000 2.372 137 G HA2 -0.273 3.686 3.960 -0.002 0.000 0.297 137 G HA3 -0.273 3.686 3.960 -0.002 0.000 0.297 137 G C 0.298 175.183 174.900 -0.025 0.000 1.005 137 G CA 0.121 45.197 45.100 -0.038 0.000 1.173 137 G HN 0.595 8.885 8.290 0.000 0.000 0.511 138 R N -0.694 119.794 120.500 -0.021 0.000 2.596 138 R HA 0.164 4.503 4.340 -0.002 0.000 0.369 138 R C 2.053 178.352 176.300 -0.002 0.000 1.042 138 R CA 0.390 56.486 56.100 -0.007 0.000 1.120 138 R CB 0.215 30.516 30.300 0.001 0.000 1.353 138 R HN 0.343 8.613 8.270 0.000 0.000 0.564 139 T N 0.896 115.443 114.554 -0.012 0.000 2.684 139 T HA -0.202 4.147 4.350 -0.002 0.000 0.267 139 T C 1.937 176.647 174.700 0.016 0.000 1.036 139 T CA 1.928 64.032 62.100 0.007 0.000 1.148 139 T CB -0.005 68.851 68.868 -0.019 0.000 0.863 139 T HN 0.380 8.620 8.240 0.000 0.000 0.436 140 A N 0.682 123.503 122.820 0.002 0.000 1.929 140 A HA 0.041 4.360 4.320 -0.002 0.000 0.216 140 A C 2.572 180.156 177.584 -0.001 0.000 1.176 140 A CA 0.977 53.016 52.037 0.003 0.000 0.628 140 A CB -0.794 18.212 19.000 0.009 0.000 0.816 140 A HN 0.353 8.503 8.150 0.000 0.000 0.444 141 V N -0.433 119.482 119.914 0.001 0.000 2.295 141 V HA -0.227 3.892 4.120 -0.002 0.000 0.246 141 V C 2.536 178.624 176.094 -0.010 0.000 1.049 141 V CA 2.046 64.345 62.300 -0.001 0.000 1.024 141 V CB -0.840 30.985 31.823 0.003 0.000 0.648 141 V HN 0.350 8.540 8.190 0.000 0.000 0.447 142 V N 0.388 120.302 119.914 -0.000 0.000 2.427 142 V HA -0.158 3.961 4.120 -0.002 0.000 0.248 142 V C 2.425 178.515 176.094 -0.006 0.000 1.051 142 V CA 2.121 64.422 62.300 0.003 0.000 1.048 142 V CB -0.026 31.813 31.823 0.026 0.000 0.666 142 V HN 0.579 8.769 8.190 0.000 0.000 0.456 143 V N -2.187 117.728 119.914 0.002 0.000 3.541 143 V HA 0.127 4.246 4.120 -0.002 0.000 0.267 143 V C 1.672 177.694 176.094 -0.121 0.000 1.213 143 V CA 1.171 63.464 62.300 -0.012 0.000 1.149 143 V CB -0.134 31.735 31.823 0.077 0.000 0.822 143 V HN 0.430 8.620 8.190 0.000 0.000 0.462 144 L N -0.205 120.920 121.223 -0.163 0.000 2.354 144 L HA 0.067 4.406 4.340 -0.002 0.000 0.212 144 L C 2.538 179.166 176.870 -0.403 0.000 1.091 144 L CA 1.215 55.834 54.840 -0.368 0.000 0.828 144 L CB -0.679 41.243 42.059 -0.229 0.000 0.973 144 L HN 0.304 8.534 8.230 0.000 0.000 0.461 145 T N -0.499 113.937 114.554 -0.197 0.000 2.777 145 T HA -0.168 4.181 4.350 -0.002 0.000 0.266 145 T C 1.906 176.524 174.700 -0.138 0.000 1.040 145 T CA 1.262 63.283 62.100 -0.131 0.000 1.141 145 T CB -0.011 68.819 68.868 -0.063 0.000 0.868 145 T HN 0.324 8.564 8.240 0.000 0.000 0.444 146 Q N -0.108 119.615 119.800 -0.129 0.000 2.083 146 Q HA -0.002 4.337 4.340 -0.002 0.000 0.198 146 Q C 2.375 178.294 176.000 -0.134 0.000 0.969 146 Q CA 1.003 56.745 55.803 -0.101 0.000 0.838 146 Q CB -0.243 28.453 28.738 -0.070 0.000 0.900 146 Q HN 0.394 8.664 8.270 0.000 0.000 0.436 147 I N 0.767 121.205 120.570 -0.219 0.000 2.252 147 I HA -0.174 3.995 4.170 -0.002 0.000 0.245 147 I C 2.028 177.923 176.117 -0.371 0.000 1.102 147 I CA 1.453 62.589 61.300 -0.274 0.000 1.385 147 I CB -0.504 37.275 38.000 -0.369 0.000 1.064 147 I HN 0.078 8.288 8.210 0.000 0.000 0.414 148 A N 0.780 123.282 122.820 -0.530 0.000 1.877 148 A HA -0.111 4.208 4.320 -0.002 0.000 0.216 148 A C 2.519 180.061 177.584 -0.071 0.000 1.186 148 A CA 1.951 53.781 52.037 -0.346 0.000 0.620 148 A CB -1.498 17.367 19.000 -0.225 0.000 0.822 148 A HN 0.563 8.713 8.150 0.000 0.000 0.443 149 A N -0.463 122.312 122.820 -0.075 0.000 2.032 149 A HA -0.107 4.212 4.320 -0.002 0.000 0.221 149 A C 2.077 179.647 177.584 -0.023 0.000 1.165 149 A CA 1.593 53.612 52.037 -0.030 0.000 0.645 149 A CB -0.573 18.404 19.000 -0.038 0.000 0.807 149 A HN 0.544 8.694 8.150 0.000 0.000 0.453 150 I N -0.994 119.552 120.570 -0.039 0.000 2.277 150 I HA -0.167 4.002 4.170 -0.002 0.000 0.243 150 I C 2.968 179.069 176.117 -0.027 0.000 1.094 150 I CA 0.827 62.094 61.300 -0.055 0.000 1.393 150 I CB -0.372 37.581 38.000 -0.079 0.000 1.078 150 I HN 0.356 8.566 8.210 0.000 0.000 0.417 151 A N 0.746 123.630 122.820 0.105 0.000 1.883 151 A HA -0.250 4.068 4.320 -0.002 0.000 0.217 151 A C 2.170 179.883 177.584 0.215 0.000 1.186 151 A CA 1.603 53.830 52.037 0.317 0.000 0.624 151 A CB -0.441 18.966 19.000 0.678 0.000 0.822 151 A HN 0.161 8.311 8.150 0.000 0.000 0.444 152 K N 0.377 120.872 120.400 0.158 0.000 2.148 152 K HA -0.203 4.116 4.320 -0.002 0.000 0.213 152 K C 1.600 178.243 176.600 0.071 0.000 1.050 152 K CA 2.054 58.408 56.287 0.112 0.000 0.932 152 K CB -0.266 32.276 32.500 0.070 0.000 0.717 152 K HN 0.659 8.909 8.250 0.000 0.000 0.462 153 K N -0.195 120.223 120.400 0.029 0.000 2.361 153 K HA 0.151 4.470 4.320 -0.002 0.000 0.194 153 K C 0.840 177.426 176.600 -0.024 0.000 1.032 153 K CA 0.028 56.313 56.287 -0.002 0.000 1.048 153 K CB 0.387 32.870 32.500 -0.028 0.000 0.842 153 K HN 0.088 8.338 8.250 0.000 0.000 0.526 154 L N 1.299 122.501 121.223 -0.036 0.000 2.416 154 L HA 0.266 4.605 4.340 -0.002 0.000 0.262 154 L C 0.182 177.078 176.870 0.043 0.000 1.093 154 L CA -0.667 54.116 54.840 -0.096 0.000 0.801 154 L CB 0.784 42.608 42.059 -0.391 0.000 1.191 154 L HN -0.161 8.069 8.230 0.000 0.000 0.459 155 K N 0.418 120.837 120.400 0.032 0.000 2.123 155 K HA 0.193 4.512 4.320 -0.002 0.000 0.259 155 K C 0.572 177.318 176.600 0.244 0.000 0.960 155 K CA -0.676 55.681 56.287 0.116 0.000 0.872 155 K CB 1.938 34.478 32.500 0.066 0.000 1.079 155 K HN 0.398 8.648 8.250 0.000 0.000 0.440 156 K N 1.811 122.388 120.400 0.294 0.000 2.089 156 K HA -0.246 4.072 4.320 -0.002 0.000 0.210 156 K C 1.551 178.361 176.600 0.350 0.000 1.048 156 K CA 2.062 58.576 56.287 0.378 0.000 0.926 156 K CB -0.161 32.423 32.500 0.140 0.000 0.714 156 K HN 0.680 8.930 8.250 0.000 0.000 0.448 157 A N 1.534 124.464 122.820 0.184 0.000 2.019 157 A HA -0.181 4.138 4.320 -0.002 0.000 0.219 157 A C 1.510 179.165 177.584 0.120 0.000 1.164 157 A CA 1.903 54.015 52.037 0.126 0.000 0.644 157 A CB -0.519 18.522 19.000 0.069 0.000 0.805 157 A HN 0.500 8.650 8.150 0.000 0.000 0.449 158 D N -0.512 119.944 120.400 0.092 0.000 2.133 158 D HA -0.208 4.431 4.640 -0.002 0.000 0.195 158 D C 1.309 177.571 176.300 -0.064 0.000 0.997 158 D CA 1.211 55.186 54.000 -0.042 0.000 0.840 158 D CB -0.618 40.096 40.800 -0.143 0.000 0.947 158 D HN 0.769 9.139 8.370 0.000 0.000 0.452 159 W N 1.446 122.750 121.300 0.007 0.000 2.596 159 W HA 0.013 4.671 4.660 -0.002 0.000 0.255 159 W C 2.121 178.638 176.519 -0.004 0.000 1.232 159 W CA 0.621 57.971 57.345 0.009 0.000 1.230 159 W CB -0.501 28.974 29.460 0.024 0.000 1.141 159 W HN -0.024 8.156 8.180 0.000 0.000 0.628 160 A N -0.402 122.514 122.820 0.159 0.000 2.169 160 A HA -0.001 4.317 4.320 -0.002 0.000 0.212 160 A C 1.825 179.420 177.584 0.019 0.000 1.153 160 A CA 0.846 52.938 52.037 0.091 0.000 0.756 160 A CB -0.065 18.970 19.000 0.059 0.000 0.813 160 A HN -0.090 8.060 8.150 0.000 0.000 0.471 161 K N -0.323 120.062 120.400 -0.025 0.000 2.399 161 K HA 0.226 4.545 4.320 -0.002 0.000 0.204 161 K C -0.163 176.353 176.600 -0.140 0.000 1.023 161 K CA 0.149 56.370 56.287 -0.110 0.000 1.127 161 K CB 0.295 32.729 32.500 -0.109 0.000 0.856 161 K HN 0.369 8.619 8.250 0.000 0.000 0.514 162 V N -1.673 118.199 119.914 -0.070 0.000 2.656 162 V HA 0.672 4.791 4.120 -0.002 0.000 0.307 162 V C -0.861 175.264 176.094 0.051 0.000 1.051 162 V CA -0.773 61.487 62.300 -0.068 0.000 0.893 162 V CB 2.350 34.059 31.823 -0.190 0.000 0.999 162 V HN -0.222 7.968 8.190 0.000 0.000 0.426 163 V N 6.854 126.794 119.914 0.044 0.000 2.604 163 V HA 0.582 4.701 4.120 -0.002 0.000 0.305 163 V C -0.117 176.045 176.094 0.112 0.000 1.043 163 V CA -0.446 61.923 62.300 0.116 0.000 0.888 163 V CB 1.742 33.662 31.823 0.162 0.000 0.995 163 V HN 0.894 9.084 8.190 0.000 0.000 0.429 164 I N 3.132 123.778 120.570 0.127 0.000 2.525 164 I HA 0.765 4.933 4.170 -0.002 0.000 0.301 164 I C 0.256 176.424 176.117 0.086 0.000 0.992 164 I CA -0.450 60.910 61.300 0.099 0.000 1.162 164 I CB 1.915 39.980 38.000 0.108 0.000 1.332 164 I HN 0.704 8.914 8.210 0.000 0.000 0.458 165 A N 5.140 127.996 122.820 0.060 0.000 2.340 165 A HA 0.361 4.679 4.320 -0.002 0.000 0.297 165 A C -1.167 176.437 177.584 0.033 0.000 1.195 165 A CA -0.398 51.675 52.037 0.059 0.000 0.769 165 A CB 0.301 19.316 19.000 0.024 0.000 1.163 165 A HN 0.589 8.739 8.150 0.000 0.000 0.472 166 Y N 2.702 122.962 120.300 -0.067 0.000 2.624 166 Y HA 0.212 4.761 4.550 -0.002 0.000 0.354 166 Y C 0.196 176.067 175.900 -0.048 0.000 1.051 166 Y CA -0.044 58.018 58.100 -0.064 0.000 1.377 166 Y CB 0.167 38.564 38.460 -0.106 0.000 1.168 166 Y HN 0.646 8.926 8.280 0.000 0.000 0.525 167 E N 8.744 128.515 120.200 -0.714 0.000 2.105 167 E HA 0.156 4.505 4.350 -0.002 0.000 0.285 167 E C -2.304 173.767 176.600 -0.881 0.000 1.055 167 E CA -2.025 53.945 56.400 -0.716 0.000 0.843 167 E CB 0.719 30.121 29.700 -0.497 0.000 1.067 167 E HN 0.473 8.833 8.360 0.000 0.000 0.398 168 P HA -0.023 4.397 4.420 0.000 0.000 0.235 168 P C 0.971 177.877 177.300 -0.657 0.000 1.765 168 P CA 0.134 62.838 63.100 -0.661 0.000 1.034 168 P CB -0.026 31.288 31.700 -0.644 0.000 1.984 169 V N 1.859 121.562 119.914 -0.351 0.000 2.250 169 V HA -0.255 3.863 4.120 -0.002 0.000 0.253 169 V C 2.345 178.347 176.094 -0.153 0.000 1.065 169 V CA 2.339 64.522 62.300 -0.195 0.000 1.039 169 V CB -1.577 30.198 31.823 -0.080 0.000 0.647 169 V HN 0.543 8.733 8.190 0.000 0.000 0.446 170 W N 1.034 122.324 121.300 -0.017 0.000 2.336 170 W HA -0.145 4.515 4.660 -0.001 0.000 0.277 170 W C 1.841 178.375 176.519 0.025 0.000 1.211 170 W CA 1.444 58.799 57.345 0.016 0.000 1.187 170 W CB -0.965 28.520 29.460 0.041 0.000 1.132 170 W HN 0.352 8.532 8.180 0.000 0.000 0.562 171 A N 0.349 122.752 122.820 -0.696 0.000 2.288 171 A HA 0.245 4.564 4.320 -0.002 0.000 0.216 171 A C 0.915 178.305 177.584 -0.324 0.000 1.199 171 A CA -0.188 51.494 52.037 -0.592 0.000 0.891 171 A CB -0.274 18.026 19.000 -1.167 0.000 0.923 171 A HN 0.073 8.223 8.150 0.000 0.000 0.500 172 I N 1.589 121.981 120.570 -0.297 0.000 2.357 172 I HA 0.258 4.427 4.170 -0.002 0.000 0.300 172 I C 1.363 177.429 176.117 -0.086 0.000 1.159 172 I CA 1.235 62.427 61.300 -0.179 0.000 1.339 172 I CB -0.996 36.900 38.000 -0.173 0.000 1.458 172 I HN 0.458 8.668 8.210 0.000 0.000 0.577 173 G N 4.859 113.625 108.800 -0.057 0.000 2.137 173 G HA2 -0.283 3.676 3.960 -0.002 0.000 0.237 173 G HA3 -0.283 3.676 3.960 -0.002 0.000 0.237 173 G C 0.678 175.577 174.900 -0.001 0.000 1.002 173 G CA 0.615 45.704 45.100 -0.018 0.000 0.702 173 G HN 0.651 8.941 8.290 0.000 0.000 0.515 174 T N -3.694 110.862 114.554 0.002 0.000 3.040 174 T HA 0.513 4.862 4.350 -0.002 0.000 0.266 174 T C 2.046 176.771 174.700 0.042 0.000 1.005 174 T CA 1.541 63.660 62.100 0.032 0.000 0.906 174 T CB 0.783 69.687 68.868 0.060 0.000 1.082 174 T HN 2.114 10.354 8.240 0.000 0.000 0.531 175 G N 1.607 110.427 108.800 0.032 0.000 2.195 175 G HA2 -0.162 3.797 3.960 -0.002 0.000 0.224 175 G HA3 -0.162 3.797 3.960 -0.002 0.000 0.224 175 G C -0.031 174.904 174.900 0.059 0.000 0.990 175 G CA -0.194 44.930 45.100 0.040 0.000 0.639 175 G HN 0.614 8.904 8.290 0.000 0.000 0.514 176 K N 0.651 121.098 120.400 0.078 0.000 2.090 176 K HA 0.770 5.089 4.320 -0.002 0.000 0.249 176 K C 0.527 177.175 176.600 0.080 0.000 0.995 176 K CA -0.163 56.203 56.287 0.132 0.000 0.914 176 K CB 2.211 34.873 32.500 0.270 0.000 1.057 176 K HN 0.912 9.162 8.250 0.000 0.000 0.462 177 V N -2.850 117.146 119.914 0.137 0.000 2.960 177 V HA 0.883 5.001 4.120 -0.002 0.000 0.315 177 V C -0.625 175.572 176.094 0.171 0.000 1.087 177 V CA -1.245 61.107 62.300 0.088 0.000 0.982 177 V CB 1.727 33.604 31.823 0.091 0.000 1.039 177 V HN 0.765 8.955 8.190 0.000 0.000 0.437 178 A N 2.063 124.946 122.820 0.105 0.000 2.304 178 A HA 0.816 5.135 4.320 -0.002 0.000 0.314 178 A C 0.281 177.983 177.584 0.197 0.000 1.187 178 A CA -0.185 52.009 52.037 0.263 0.000 0.810 178 A CB 0.778 19.873 19.000 0.159 0.000 1.183 178 A HN 1.288 9.438 8.150 0.000 0.000 0.487 179 T N 1.117 115.794 114.554 0.204 0.000 2.770 179 T HA 0.447 4.796 4.350 -0.002 0.000 0.281 179 T C -2.038 172.692 174.700 0.050 0.000 0.981 179 T CA -1.275 60.885 62.100 0.099 0.000 0.955 179 T CB 0.373 69.297 68.868 0.094 0.000 1.060 179 T HN 0.302 8.542 8.240 0.000 0.000 0.531 180 P HA 0.047 4.467 4.420 0.000 0.000 0.222 180 P C 1.568 178.831 177.300 -0.061 0.000 1.157 180 P CA 0.513 63.556 63.100 -0.094 0.000 0.816 180 P CB 0.050 31.694 31.700 -0.092 0.000 0.813 181 Q N -0.168 119.623 119.800 -0.015 0.000 2.364 181 Q HA -0.165 4.173 4.340 -0.002 0.000 0.207 181 Q C 1.977 177.993 176.000 0.027 0.000 0.970 181 Q CA 1.095 56.894 55.803 -0.007 0.000 0.888 181 Q CB -0.064 28.674 28.738 0.001 0.000 0.951 181 Q HN 0.344 8.614 8.270 0.000 0.000 0.469 182 Q N -0.728 119.119 119.800 0.078 0.000 2.096 182 Q HA -0.080 4.259 4.340 -0.002 0.000 0.197 182 Q C 1.978 178.112 176.000 0.222 0.000 0.964 182 Q CA 1.079 56.987 55.803 0.175 0.000 0.838 182 Q CB 0.001 28.925 28.738 0.311 0.000 0.906 182 Q HN 0.409 8.679 8.270 0.000 0.000 0.444 183 A N 0.898 123.825 122.820 0.179 0.000 1.841 183 A HA -0.313 4.006 4.320 -0.002 0.000 0.216 183 A C 2.009 179.586 177.584 -0.011 0.000 1.199 183 A CA 1.889 54.011 52.037 0.141 0.000 0.621 183 A CB -0.978 17.857 19.000 -0.274 0.000 0.835 183 A HN 0.351 8.501 8.150 0.000 0.000 0.445 184 Q N 0.141 119.869 119.800 -0.120 0.000 2.142 184 Q HA -0.286 4.053 4.340 -0.002 0.000 0.213 184 Q C 1.738 177.742 176.000 0.006 0.000 1.004 184 Q CA 2.800 58.553 55.803 -0.083 0.000 0.883 184 Q CB -0.529 28.161 28.738 -0.080 0.000 0.939 184 Q HN 0.792 9.062 8.270 0.000 0.000 0.413 185 E N -0.783 119.420 120.200 0.005 0.000 2.051 185 E HA -0.135 4.214 4.350 -0.002 0.000 0.192 185 E C 1.902 178.480 176.600 -0.036 0.000 0.991 185 E CA 1.053 57.450 56.400 -0.004 0.000 0.799 185 E CB -0.310 29.389 29.700 -0.001 0.000 0.748 185 E HN 0.524 8.884 8.360 0.000 0.000 0.449 186 A N 0.816 123.581 122.820 -0.092 0.000 2.066 186 A HA -0.151 4.168 4.320 -0.002 0.000 0.218 186 A C 1.728 179.122 177.584 -0.317 0.000 1.157 186 A CA 0.986 52.817 52.037 -0.344 0.000 0.670 186 A CB -0.576 17.772 19.000 -1.086 0.000 0.804 186 A HN 0.290 8.440 8.150 0.000 0.000 0.453 187 H N -0.758 118.145 119.070 -0.277 0.000 2.333 187 H HA -0.030 4.525 4.556 -0.002 0.000 0.302 187 H C 2.561 177.846 175.328 -0.071 0.000 1.075 187 H CA 1.115 57.083 56.048 -0.134 0.000 1.348 187 H CB 0.021 29.755 29.762 -0.047 0.000 1.393 187 H HN 0.548 8.828 8.280 0.000 0.000 0.509 188 A N 1.452 124.311 122.820 0.064 0.000 2.019 188 A HA -0.120 4.199 4.320 -0.002 0.000 0.219 188 A C 2.384 179.976 177.584 0.014 0.000 1.164 188 A CA 0.724 52.777 52.037 0.027 0.000 0.644 188 A CB -0.485 18.525 19.000 0.017 0.000 0.805 188 A HN 0.226 8.376 8.150 0.000 0.000 0.449 189 L N 0.042 121.263 121.223 -0.004 0.000 2.027 189 L HA -0.125 4.213 4.340 -0.002 0.000 0.206 189 L C 2.324 179.224 176.870 0.049 0.000 1.074 189 L CA 1.819 56.667 54.840 0.014 0.000 0.745 189 L CB -1.055 40.985 42.059 -0.031 0.000 0.898 189 L HN 0.467 8.697 8.230 0.000 0.000 0.433 190 I N -0.830 119.742 120.570 0.003 0.000 2.076 190 I HA -0.311 3.858 4.170 -0.002 0.000 0.237 190 I C 2.657 178.826 176.117 0.087 0.000 1.059 190 I CA 0.973 62.294 61.300 0.035 0.000 1.317 190 I CB -0.605 37.378 38.000 -0.028 0.000 1.037 190 I HN 0.187 8.398 8.210 0.000 0.000 0.398 191 R N 0.698 121.223 120.500 0.041 0.000 2.140 191 R HA -0.216 4.123 4.340 -0.002 0.000 0.250 191 R C 2.505 178.820 176.300 0.025 0.000 1.150 191 R CA 1.953 58.070 56.100 0.028 0.000 0.966 191 R CB -0.920 29.391 30.300 0.018 0.000 0.869 191 R HN 0.425 8.695 8.270 0.000 0.000 0.445 192 S N -0.377 115.351 115.700 0.046 0.000 2.380 192 S HA -0.216 4.253 4.470 -0.002 0.000 0.217 192 S C 1.683 176.313 174.600 0.049 0.000 1.036 192 S CA 1.638 59.861 58.200 0.038 0.000 1.050 192 S CB -0.654 62.581 63.200 0.058 0.000 1.016 192 S HN 0.563 8.873 8.310 0.000 0.000 0.419 193 W N 1.535 122.802 121.300 -0.056 0.000 2.290 193 W HA -0.235 4.423 4.660 -0.002 0.000 0.318 193 W C 2.133 178.597 176.519 -0.092 0.000 1.248 193 W CA 2.293 59.605 57.345 -0.055 0.000 1.263 193 W CB -0.846 28.596 29.460 -0.029 0.000 1.147 193 W HN 0.179 8.359 8.180 0.000 0.000 0.494 194 V N 0.148 120.175 119.914 0.189 0.000 2.261 194 V HA -0.349 3.770 4.120 -0.002 0.000 0.246 194 V C 2.587 178.489 176.094 -0.321 0.000 1.047 194 V CA 2.348 64.573 62.300 -0.125 0.000 1.015 194 V CB -1.401 30.348 31.823 -0.123 0.000 0.642 194 V HN 0.417 8.607 8.190 0.000 0.000 0.446 195 S N -0.402 115.183 115.700 -0.192 0.000 2.387 195 S HA -0.257 4.212 4.470 -0.002 0.000 0.230 195 S C 2.216 176.680 174.600 -0.227 0.000 1.035 195 S CA 2.587 60.677 58.200 -0.182 0.000 1.014 195 S CB -0.439 62.696 63.200 -0.109 0.000 0.836 195 S HN 0.644 8.954 8.310 0.000 0.000 0.466 196 S N -0.412 115.125 115.700 -0.271 0.000 2.439 196 S HA 0.207 4.676 4.470 -0.002 0.000 0.224 196 S C 1.747 176.089 174.600 -0.429 0.000 1.029 196 S CA 0.588 58.609 58.200 -0.300 0.000 0.946 196 S CB -0.264 62.796 63.200 -0.234 0.000 0.797 196 S HN 0.409 8.719 8.310 0.000 0.000 0.504 197 K N 0.422 120.389 120.400 -0.722 0.000 2.361 197 K HA 0.443 4.762 4.320 -0.002 0.000 0.194 197 K C 1.250 177.496 176.600 -0.590 0.000 1.032 197 K CA 0.229 56.028 56.287 -0.813 0.000 1.048 197 K CB 0.139 31.634 32.500 -1.674 0.000 0.842 197 K HN 0.379 8.629 8.250 0.000 0.000 0.526 198 I N -1.865 118.388 120.570 -0.527 0.000 3.443 198 I HA 0.305 4.474 4.170 -0.002 0.000 0.277 198 I C 0.561 176.502 176.117 -0.293 0.000 1.169 198 I CA 0.541 61.596 61.300 -0.409 0.000 1.419 198 I CB 0.062 37.701 38.000 -0.603 0.000 1.331 198 I HN 0.042 8.252 8.210 0.000 0.000 0.458 199 G N 0.661 109.295 108.800 -0.276 0.000 2.326 199 G HA2 0.238 4.197 3.960 -0.002 0.000 0.299 199 G HA3 0.238 4.197 3.960 -0.002 0.000 0.299 199 G C 0.155 174.950 174.900 -0.174 0.000 1.643 199 G CA -0.228 44.759 45.100 -0.189 0.000 0.916 199 G HN 0.229 8.519 8.290 0.000 0.000 0.700 200 A N 1.102 123.843 122.820 -0.132 0.000 2.264 200 A HA 0.148 4.467 4.320 -0.002 0.000 0.207 200 A C 1.924 179.456 177.584 -0.087 0.000 1.196 200 A CA 2.015 53.987 52.037 -0.107 0.000 0.778 200 A CB -0.360 18.592 19.000 -0.081 0.000 0.779 200 A HN 0.811 8.961 8.150 0.000 0.000 0.483 201 D N 0.470 120.817 120.400 -0.089 0.000 2.106 201 D HA -0.145 4.494 4.640 -0.002 0.000 0.203 201 D C 2.134 178.397 176.300 -0.063 0.000 0.977 201 D CA 1.559 55.523 54.000 -0.061 0.000 0.844 201 D CB -1.484 39.288 40.800 -0.048 0.000 1.002 201 D HN 0.481 8.851 8.370 0.000 0.000 0.461 202 V N 0.694 120.548 119.914 -0.100 0.000 2.219 202 V HA -0.296 3.822 4.120 -0.002 0.000 0.248 202 V C 2.576 178.611 176.094 -0.099 0.000 1.053 202 V CA 2.466 64.701 62.300 -0.109 0.000 1.009 202 V CB -0.817 30.890 31.823 -0.193 0.000 0.636 202 V HN 0.151 8.341 8.190 0.000 0.000 0.445 203 R N 1.190 121.601 120.500 -0.149 0.000 2.234 203 R HA -0.270 4.069 4.340 -0.002 0.000 0.241 203 R C 2.292 178.564 176.300 -0.046 0.000 1.115 203 R CA 3.095 59.131 56.100 -0.107 0.000 0.913 203 R CB -1.593 28.641 30.300 -0.110 0.000 0.911 203 R HN 0.686 8.956 8.270 0.000 0.000 0.430 204 G N -0.429 108.347 108.800 -0.040 0.000 2.498 204 G HA2 -0.238 3.721 3.960 -0.002 0.000 0.219 204 G HA3 -0.238 3.721 3.960 -0.002 0.000 0.219 204 G C 1.225 176.127 174.900 0.003 0.000 1.119 204 G CA 0.806 45.896 45.100 -0.017 0.000 0.766 204 G HN 0.554 8.844 8.290 0.000 0.000 0.552 205 E N -0.763 119.440 120.200 0.005 0.000 2.122 205 E HA 0.165 4.514 4.350 -0.002 0.000 0.190 205 E C 1.005 177.640 176.600 0.058 0.000 0.977 205 E CA -0.510 55.909 56.400 0.032 0.000 0.820 205 E CB -0.032 29.689 29.700 0.035 0.000 0.770 205 E HN 0.220 8.580 8.360 0.000 0.000 0.462 206 L N 2.004 123.262 121.223 0.058 0.000 2.667 206 L HA -0.127 4.212 4.340 -0.002 0.000 0.296 206 L C 0.020 176.948 176.870 0.096 0.000 1.252 206 L CA 0.621 55.518 54.840 0.095 0.000 0.891 206 L CB 0.250 42.357 42.059 0.079 0.000 1.141 206 L HN 0.026 8.256 8.230 0.000 0.000 0.501 207 R N 4.147 124.719 120.500 0.121 0.000 2.338 207 R HA 0.561 4.899 4.340 -0.002 0.000 0.317 207 R C -0.837 175.535 176.300 0.121 0.000 0.968 207 R CA -0.215 55.956 56.100 0.119 0.000 0.849 207 R CB 1.104 31.486 30.300 0.137 0.000 1.128 207 R HN 0.469 8.739 8.270 0.000 0.000 0.448 208 I N 5.682 126.321 120.570 0.115 0.000 2.382 208 I HA 0.285 4.454 4.170 -0.002 0.000 0.285 208 I C -0.426 175.794 176.117 0.171 0.000 1.007 208 I CA -0.544 60.811 61.300 0.092 0.000 1.142 208 I CB 1.137 39.139 38.000 0.003 0.000 1.289 208 I HN 0.347 8.557 8.210 0.000 0.000 0.453 209 L N 5.550 126.874 121.223 0.169 0.000 2.399 209 L HA 0.351 4.690 4.340 -0.002 0.000 0.265 209 L C -0.793 176.334 176.870 0.427 0.000 1.089 209 L CA -0.827 54.150 54.840 0.228 0.000 0.802 209 L CB 0.913 43.069 42.059 0.160 0.000 1.180 209 L HN 0.466 8.696 8.230 0.000 0.000 0.454 210 Y N -0.103 120.399 120.300 0.337 0.000 2.356 210 Y HA 0.423 4.972 4.550 -0.002 0.000 0.334 210 Y C 0.764 176.859 175.900 0.324 0.000 0.958 210 Y CA -0.807 57.562 58.100 0.448 0.000 1.196 210 Y CB 1.617 40.333 38.460 0.427 0.000 1.137 210 Y HN 0.603 8.883 8.280 0.000 0.000 0.485 211 G N 3.625 112.261 108.800 -0.274 0.000 3.141 211 G HA2 0.239 4.197 3.960 -0.002 0.000 0.218 211 G HA3 0.239 4.197 3.960 -0.002 0.000 0.218 211 G C 0.635 175.210 174.900 -0.543 0.000 1.170 211 G CA 0.287 45.194 45.100 -0.321 0.000 0.769 211 G HN 0.919 9.209 8.290 0.000 0.000 0.546 212 G N 0.195 108.325 108.800 -1.117 0.000 2.531 212 G HA2 0.375 4.333 3.960 -0.002 0.000 0.253 212 G HA3 0.375 4.333 3.960 -0.002 0.000 0.253 212 G C 0.076 174.847 174.900 -0.214 0.000 1.439 212 G CA -0.281 44.397 45.100 -0.703 0.000 1.056 212 G HN 0.161 8.451 8.290 0.000 0.000 0.555 213 S N 0.026 115.711 115.700 -0.025 0.000 2.437 213 S HA 0.341 4.810 4.470 -0.002 0.000 0.304 213 S C 0.026 174.687 174.600 0.101 0.000 1.167 213 S CA -0.403 57.821 58.200 0.039 0.000 1.106 213 S CB 0.345 63.553 63.200 0.014 0.000 1.099 213 S HN 0.438 8.748 8.310 0.000 0.000 0.524 214 V N 4.393 124.338 119.914 0.052 0.000 2.547 214 V HA 0.633 4.752 4.120 -0.002 0.000 0.299 214 V C -0.067 175.982 176.094 -0.076 0.000 1.040 214 V CA -0.962 61.302 62.300 -0.060 0.000 0.913 214 V CB 1.460 33.142 31.823 -0.236 0.000 0.992 214 V HN 0.983 9.173 8.190 0.000 0.000 0.449 215 N N 1.334 119.966 118.700 -0.114 0.000 2.825 215 N HA 0.465 5.204 4.740 -0.002 0.000 0.253 215 N C 0.842 176.298 175.510 -0.090 0.000 1.426 215 N CA -0.282 52.730 53.050 -0.063 0.000 0.851 215 N CB 1.168 39.644 38.487 -0.019 0.000 1.470 215 N HN 0.528 8.908 8.380 0.000 0.000 0.517 216 G N -0.227 108.544 108.800 -0.049 0.000 2.550 216 G HA2 -0.388 3.571 3.960 -0.002 0.000 0.222 216 G HA3 -0.388 3.571 3.960 -0.002 0.000 0.222 216 G C 1.070 175.945 174.900 -0.042 0.000 1.113 216 G CA 1.501 46.575 45.100 -0.044 0.000 0.748 216 G HN 0.692 8.982 8.290 0.000 0.000 0.585 217 K N 1.067 121.446 120.400 -0.034 0.000 2.063 217 K HA -0.058 4.261 4.320 -0.002 0.000 0.204 217 K C 2.092 178.672 176.600 -0.033 0.000 1.039 217 K CA 1.050 57.322 56.287 -0.024 0.000 0.957 217 K CB -0.180 32.313 32.500 -0.012 0.000 0.764 217 K HN 0.349 8.599 8.250 0.000 0.000 0.447 218 N N 0.733 119.407 118.700 -0.043 0.000 2.449 218 N HA 0.004 4.743 4.740 -0.002 0.000 0.191 218 N C 1.082 176.548 175.510 -0.073 0.000 1.161 218 N CA 0.710 53.734 53.050 -0.044 0.000 0.863 218 N CB 0.275 38.743 38.487 -0.030 0.000 0.980 218 N HN 0.268 8.648 8.380 0.000 0.000 0.458 219 A N 1.315 124.054 122.820 -0.135 0.000 1.902 219 A HA -0.083 4.236 4.320 -0.002 0.000 0.217 219 A C 2.380 180.017 177.584 0.088 0.000 1.181 219 A CA 1.053 52.955 52.037 -0.226 0.000 0.623 219 A CB -0.456 18.309 19.000 -0.391 0.000 0.818 219 A HN 0.319 8.469 8.150 0.000 0.000 0.443 220 R N -0.894 119.656 120.500 0.083 0.000 2.073 220 R HA -0.077 4.262 4.340 -0.002 0.000 0.229 220 R C 2.492 178.864 176.300 0.119 0.000 1.120 220 R CA 1.736 57.919 56.100 0.139 0.000 0.967 220 R CB -0.535 29.806 30.300 0.069 0.000 0.862 220 R HN 0.710 8.980 8.270 0.000 0.000 0.436 221 T N -1.217 113.373 114.554 0.060 0.000 3.007 221 T HA -0.012 4.337 4.350 -0.002 0.000 0.270 221 T C 1.723 176.436 174.700 0.023 0.000 1.107 221 T CA 0.772 62.889 62.100 0.029 0.000 1.118 221 T CB 0.025 68.897 68.868 0.006 0.000 0.889 221 T HN 0.115 8.355 8.240 0.000 0.000 0.506 222 L N -1.495 119.775 121.223 0.077 0.000 2.189 222 L HA 0.244 4.583 4.340 -0.002 0.000 0.199 222 L C 2.401 179.364 176.870 0.153 0.000 1.074 222 L CA 0.602 55.484 54.840 0.071 0.000 0.783 222 L CB -0.411 41.765 42.059 0.195 0.000 0.955 222 L HN 0.165 8.395 8.230 0.000 0.000 0.460 223 Y N 1.335 121.768 120.300 0.223 0.000 2.384 223 Y HA -0.303 4.246 4.550 -0.002 0.000 0.289 223 Y C 2.543 178.443 175.900 0.001 0.000 1.152 223 Y CA 1.566 59.729 58.100 0.105 0.000 1.258 223 Y CB -0.266 38.292 38.460 0.164 0.000 0.979 223 Y HN 0.290 8.570 8.280 0.000 0.000 0.549 224 Q N 0.499 120.283 119.800 -0.026 0.000 2.541 224 Q HA -0.087 4.252 4.340 -0.002 0.000 0.215 224 Q C -0.552 175.354 176.000 -0.157 0.000 0.977 224 Q CA 0.395 56.137 55.803 -0.101 0.000 0.934 224 Q CB -0.002 28.723 28.738 -0.021 0.000 0.988 224 Q HN 0.453 8.723 8.270 0.000 0.000 0.521 225 Q N 0.413 120.093 119.800 -0.200 0.000 2.282 225 Q HA 0.206 4.545 4.340 -0.002 0.000 0.260 225 Q C -0.046 175.829 176.000 -0.209 0.000 0.964 225 Q CA -0.412 55.284 55.803 -0.178 0.000 0.880 225 Q CB 1.780 30.421 28.738 -0.160 0.000 1.286 225 Q HN 0.099 8.369 8.270 0.000 0.000 0.445 226 R N 1.640 122.051 120.500 -0.149 0.000 2.196 226 R HA -0.246 4.093 4.340 -0.002 0.000 0.244 226 R C 0.621 176.863 176.300 -0.097 0.000 1.121 226 R CA 2.725 58.754 56.100 -0.119 0.000 0.930 226 R CB 0.014 30.271 30.300 -0.071 0.000 0.890 226 R HN 0.648 8.918 8.270 0.000 0.000 0.435 227 D N -0.822 119.548 120.400 -0.049 0.000 2.349 227 D HA 0.035 4.674 4.640 -0.002 0.000 0.224 227 D C -0.291 176.086 176.300 0.128 0.000 1.029 227 D CA 0.254 54.282 54.000 0.046 0.000 0.879 227 D CB 0.235 41.097 40.800 0.103 0.000 0.906 227 D HN 0.012 8.382 8.370 0.000 0.000 0.528 228 V N 1.781 121.661 119.914 -0.056 0.000 2.405 228 V HA 0.103 4.222 4.120 -0.002 0.000 0.264 228 V C 0.144 176.177 176.094 -0.102 0.000 1.048 228 V CA -0.314 61.935 62.300 -0.086 0.000 0.966 228 V CB 0.268 31.942 31.823 -0.249 0.000 1.015 228 V HN 0.030 8.220 8.190 0.000 0.000 0.477 229 N N 4.682 123.419 118.700 0.061 0.000 3.040 229 N HA 0.565 5.304 4.740 -0.002 0.000 0.305 229 N C 0.475 176.042 175.510 0.095 0.000 1.611 229 N CA 0.317 53.458 53.050 0.151 0.000 1.049 229 N CB 1.094 39.652 38.487 0.119 0.000 1.342 229 N HN 0.984 9.364 8.380 0.000 0.000 0.497 230 G N 0.172 108.930 108.800 -0.070 0.000 2.610 230 G HA2 -0.162 3.797 3.960 -0.002 0.000 0.304 230 G HA3 -0.162 3.797 3.960 -0.002 0.000 0.304 230 G C -1.149 173.190 174.900 -0.934 0.000 1.309 230 G CA -0.897 43.891 45.100 -0.520 0.000 0.906 230 G HN 0.186 8.476 8.290 0.000 0.000 0.521 231 F N -1.699 118.325 119.950 0.124 0.000 2.643 231 F HA 0.743 5.269 4.527 -0.002 0.000 0.314 231 F C -0.047 175.832 175.800 0.132 0.000 1.096 231 F CA -0.845 57.257 58.000 0.168 0.000 0.953 231 F CB 2.079 41.169 39.000 0.150 0.000 1.345 231 F HN 0.522 8.822 8.300 0.000 0.000 0.468 232 L N 2.782 124.209 121.223 0.339 0.000 2.445 232 L HA 0.594 4.933 4.340 -0.002 0.000 0.252 232 L C -1.141 175.832 176.870 0.173 0.000 1.105 232 L CA -0.376 54.580 54.840 0.193 0.000 0.943 232 L CB 0.538 42.656 42.059 0.097 0.000 1.277 232 L HN 0.363 8.593 8.230 0.000 0.000 0.465 233 V N 3.276 123.324 119.914 0.223 0.000 2.583 233 V HA 0.602 4.720 4.120 -0.002 0.000 0.287 233 V C 1.005 177.190 176.094 0.151 0.000 1.051 233 V CA 0.310 62.730 62.300 0.199 0.000 1.010 233 V CB 0.783 32.801 31.823 0.325 0.000 0.988 233 V HN 0.720 8.910 8.190 0.000 0.000 0.478 234 G N 2.645 111.515 108.800 0.118 0.000 2.529 234 G HA2 0.301 4.260 3.960 -0.002 0.000 0.220 234 G HA3 0.301 4.260 3.960 -0.002 0.000 0.220 234 G C 1.358 176.326 174.900 0.114 0.000 1.976 234 G CA 0.511 45.676 45.100 0.108 0.000 0.789 234 G HN 0.905 9.195 8.290 0.000 0.000 0.695 235 G N 1.150 110.000 108.800 0.083 0.000 2.491 235 G HA2 -0.007 3.952 3.960 -0.002 0.000 0.218 235 G HA3 -0.007 3.952 3.960 -0.002 0.000 0.218 235 G C 1.952 176.908 174.900 0.094 0.000 1.180 235 G CA 1.912 47.055 45.100 0.071 0.000 0.774 235 G HN 0.880 9.170 8.290 0.000 0.000 0.562 236 A N 0.467 123.360 122.820 0.120 0.000 2.216 236 A HA 0.139 4.458 4.320 -0.002 0.000 0.214 236 A C 2.511 180.258 177.584 0.270 0.000 1.160 236 A CA 2.022 54.159 52.037 0.166 0.000 0.725 236 A CB -0.442 18.651 19.000 0.154 0.000 0.784 236 A HN 0.614 8.764 8.150 0.000 0.000 0.472 237 S N -0.761 115.078 115.700 0.231 0.000 2.446 237 S HA 0.074 4.543 4.470 -0.002 0.000 0.225 237 S C 1.480 176.236 174.600 0.261 0.000 1.016 237 S CA 0.711 59.018 58.200 0.178 0.000 0.943 237 S CB -0.330 62.932 63.200 0.103 0.000 0.786 237 S HN 0.468 8.778 8.310 0.000 0.000 0.508 238 L N 0.850 122.157 121.223 0.140 0.000 2.592 238 L HA 0.319 4.658 4.340 -0.002 0.000 0.227 238 L C 0.307 177.140 176.870 -0.062 0.000 1.127 238 L CA 0.060 54.861 54.840 -0.065 0.000 0.884 238 L CB 0.025 41.990 42.059 -0.156 0.000 1.065 238 L HN 0.237 8.467 8.230 0.000 0.000 0.457 239 K N -0.942 119.496 120.400 0.064 0.000 2.281 239 K HA 0.415 4.734 4.320 -0.002 0.000 0.242 239 K C -2.019 174.677 176.600 0.160 0.000 0.971 239 K CA -2.023 54.303 56.287 0.064 0.000 0.834 239 K CB 0.935 33.474 32.500 0.065 0.000 1.181 239 K HN -0.402 7.848 8.250 0.000 0.000 0.435 240 P HA -0.271 4.149 4.420 0.000 0.000 0.215 240 P C 1.003 178.435 177.300 0.220 0.000 1.153 240 P CA 1.563 64.755 63.100 0.153 0.000 0.853 240 P CB -0.011 31.731 31.700 0.070 0.000 0.788 241 E N -1.069 119.227 120.200 0.161 0.000 2.444 241 E HA -0.237 4.112 4.350 -0.002 0.000 0.204 241 E C 1.656 178.356 176.600 0.166 0.000 1.049 241 E CA 0.519 56.997 56.400 0.130 0.000 0.872 241 E CB -1.228 28.519 29.700 0.079 0.000 0.791 241 E HN 0.168 8.528 8.360 0.000 0.000 0.548 242 F N 1.419 121.454 119.950 0.141 0.000 2.216 242 F HA -0.131 4.395 4.527 -0.002 0.000 0.300 242 F C 1.923 177.794 175.800 0.117 0.000 1.085 242 F CA 0.977 59.071 58.000 0.156 0.000 1.326 242 F CB -0.062 39.130 39.000 0.320 0.000 1.027 242 F HN -0.094 8.206 8.300 0.000 0.000 0.497 243 V N 0.324 120.349 119.914 0.185 0.000 2.407 243 V HA -0.306 3.813 4.120 -0.002 0.000 0.248 243 V C 1.987 178.039 176.094 -0.071 0.000 1.055 243 V CA 2.218 64.552 62.300 0.055 0.000 1.049 243 V CB -0.708 31.205 31.823 0.150 0.000 0.662 243 V HN 0.225 8.415 8.190 0.000 0.000 0.455 244 D N -0.171 120.203 120.400 -0.042 0.000 2.178 244 D HA -0.128 4.511 4.640 -0.002 0.000 0.201 244 D C 1.958 178.175 176.300 -0.137 0.000 0.980 244 D CA 1.143 55.106 54.000 -0.062 0.000 0.842 244 D CB -0.215 40.565 40.800 -0.034 0.000 0.948 244 D HN 0.403 8.773 8.370 0.000 0.000 0.472 245 I N 0.432 120.857 120.570 -0.243 0.000 2.179 245 I HA -0.219 3.949 4.170 -0.002 0.000 0.242 245 I C 2.229 178.158 176.117 -0.313 0.000 1.088 245 I CA 0.794 61.891 61.300 -0.339 0.000 1.357 245 I CB -0.053 37.663 38.000 -0.473 0.000 1.051 245 I HN -0.029 8.181 8.210 0.000 0.000 0.409 246 I N 0.635 120.935 120.570 -0.449 0.000 2.208 246 I HA -0.309 3.860 4.170 -0.002 0.000 0.245 246 I C 2.300 178.349 176.117 -0.113 0.000 1.097 246 I CA 1.402 62.502 61.300 -0.334 0.000 1.363 246 I CB -0.564 37.207 38.000 -0.381 0.000 1.051 246 I HN 0.218 8.428 8.210 0.000 0.000 0.413 247 K N 1.493 121.850 120.400 -0.072 0.000 2.211 247 K HA -0.014 4.305 4.320 -0.002 0.000 0.203 247 K C 1.987 178.545 176.600 -0.070 0.000 1.050 247 K CA 1.353 57.639 56.287 -0.001 0.000 0.945 247 K CB -0.407 32.092 32.500 -0.002 0.000 0.732 247 K HN 0.285 8.535 8.250 0.000 0.000 0.451 248 A N 2.277 125.051 122.820 -0.077 0.000 2.259 248 A HA -0.066 4.253 4.320 -0.002 0.000 0.212 248 A C 1.336 178.834 177.584 -0.143 0.000 1.178 248 A CA 1.203 53.215 52.037 -0.042 0.000 0.734 248 A CB -0.815 18.187 19.000 0.003 0.000 0.774 248 A HN 0.435 8.585 8.150 0.000 0.000 0.481 249 T N -3.033 111.330 114.554 -0.318 0.000 3.256 249 T HA 0.481 4.830 4.350 -0.002 0.000 0.249 249 T C -0.056 174.405 174.700 -0.398 0.000 0.975 249 T CA -0.450 61.149 62.100 -0.836 0.000 1.011 249 T CB -0.006 68.455 68.868 -0.678 0.000 1.127 249 T HN 0.292 8.532 8.240 0.000 0.000 0.543 250 Q N 0.000 119.673 119.800 -0.212 0.000 2.315 250 Q HA 0.000 4.339 4.340 -0.002 0.000 0.214 250 Q CA 0.000 55.676 55.803 -0.212 0.000 1.022 250 Q CB 0.000 28.706 28.738 -0.053 0.000 1.108 250 Q HN 0.000 8.270 8.270 0.000 0.000 0.481