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 1yhp_1_A DATA FIRST_RESID 2 DATA SEQUENCE SVDANKVKFF FGKNCTGESF EYNKGETVRF NNGDKWNDKF MSCLVGSNVR DATA SEQUENCE CNIWEHNEID TPTPGKFQEL AQGSTNNDLT SINGLSKFQV LPGAFQWAVD DATA SEQUENCE VKIVNKVNST AGSYEMTITP YQVDKVACKD GDDFVQLPIP KLTPPDSEIV DATA SEQUENCE SHLTVRQTHT PYDYVVNGSV YFKYSPTTGQ VTVIKKDETF PKNMTVTQDD DATA SEQUENCE NTSFIFNLNS EK 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 4.524 4.470 0.090 0.000 0.327 2 S C 0.000 174.665 174.600 0.108 0.000 1.055 2 S CA 0.000 58.252 58.200 0.087 0.000 1.107 2 S CB 0.000 63.235 63.200 0.059 0.000 0.593 3 V N 2.163 122.145 119.914 0.113 0.000 2.607 3 V HA 0.192 4.382 4.120 0.116 0.000 0.289 3 V C -0.999 175.142 176.094 0.079 0.000 1.053 3 V CA 0.105 62.472 62.300 0.112 0.000 0.996 3 V CB 0.728 32.632 31.823 0.136 0.000 0.995 3 V HN 0.212 8.464 8.190 0.103 0.000 0.476 4 D N 5.854 126.295 120.400 0.069 0.000 2.414 4 D HA -0.031 4.635 4.640 0.044 0.000 0.242 4 D C 0.526 176.859 176.300 0.055 0.000 1.129 4 D CA 0.375 54.406 54.000 0.052 0.000 0.885 4 D CB 2.032 42.858 40.800 0.043 0.000 1.198 4 D HN 0.064 8.479 8.370 0.074 0.000 0.437 5 A N 4.285 127.131 122.820 0.043 0.000 2.125 5 A HA -0.225 4.123 4.320 0.047 0.000 0.219 5 A C 0.078 177.684 177.584 0.037 0.000 1.156 5 A CA 2.300 54.361 52.037 0.040 0.000 0.671 5 A CB 0.083 19.101 19.000 0.030 0.000 0.794 5 A HN 0.615 8.787 8.150 0.037 0.000 0.459 6 N N -7.881 110.840 118.700 0.035 0.000 2.171 6 N HA 0.190 4.942 4.740 0.020 0.000 0.212 6 N C -1.414 174.119 175.510 0.038 0.000 1.184 6 N CA -0.255 52.811 53.050 0.027 0.000 0.888 6 N CB 2.388 40.885 38.487 0.016 0.000 1.038 6 N HN -0.526 7.985 8.380 0.035 -0.110 0.517 7 K N -2.462 117.971 120.400 0.055 0.000 2.499 7 K HA 0.244 4.611 4.320 0.078 0.000 0.277 7 K C -2.743 173.920 176.600 0.106 0.000 1.025 7 K CA -0.920 55.411 56.287 0.073 0.000 0.900 7 K CB 4.336 36.869 32.500 0.054 0.000 1.494 7 K HN -0.795 7.490 8.250 0.059 0.000 0.442 8 V N -4.387 115.613 119.914 0.143 0.000 3.102 8 V HA 0.682 4.907 4.120 0.174 0.000 0.312 8 V C -2.371 173.862 176.094 0.231 0.000 1.135 8 V CA -3.239 59.176 62.300 0.193 0.000 1.022 8 V CB 3.853 35.806 31.823 0.217 0.000 1.056 8 V HN 0.289 8.567 8.190 0.147 0.000 0.436 9 K N -2.824 117.744 120.400 0.281 0.000 2.523 9 K HA 0.493 5.049 4.320 0.244 -0.089 0.257 9 K C -2.325 174.498 176.600 0.372 0.000 0.932 9 K CA -1.344 55.081 56.287 0.231 0.000 0.812 9 K CB 3.981 36.494 32.500 0.022 0.000 1.326 9 K HN 0.441 8.863 8.250 0.288 0.000 0.433 10 F N -0.558 119.348 119.950 -0.075 0.000 2.492 10 F HA 0.245 4.849 4.527 0.128 0.000 0.327 10 F C -1.713 173.973 175.800 -0.189 0.000 1.079 10 F CA -2.493 55.509 58.000 0.003 0.000 0.967 10 F CB 3.573 42.628 39.000 0.091 0.000 1.169 10 F HN 0.543 8.845 8.300 0.200 0.118 0.472 11 F N 0.204 120.355 119.950 0.336 0.000 2.539 11 F HA 0.401 5.219 4.527 0.213 -0.164 0.328 11 F C -1.317 174.711 175.800 0.379 0.000 1.148 11 F CA -1.354 56.796 58.000 0.250 0.000 0.940 11 F CB 3.581 42.664 39.000 0.138 0.000 1.194 11 F HN 0.711 9.199 8.300 0.465 0.091 0.438 12 F N 4.381 124.515 119.950 0.307 0.000 2.954 12 F HA 0.381 5.090 4.527 0.117 -0.112 0.300 12 F C -0.550 175.327 175.800 0.128 0.000 1.206 12 F CA -3.999 54.109 58.000 0.180 0.000 1.345 12 F CB -1.051 38.071 39.000 0.204 0.000 1.206 12 F HN 0.551 9.107 8.300 0.600 0.104 0.537 13 G N -1.912 107.035 108.800 0.245 0.000 2.498 13 G HA2 -0.029 3.967 3.960 0.062 0.000 0.301 13 G HA3 -0.029 4.046 3.960 0.116 -0.046 0.301 13 G C -2.428 172.493 174.900 0.035 0.000 1.577 13 G CA -0.148 45.016 45.100 0.107 0.000 0.868 13 G HN -0.682 7.674 8.290 0.277 0.100 0.599 14 K N 3.994 124.385 120.400 -0.015 0.000 2.489 14 K HA -0.305 4.085 4.320 -0.067 -0.110 0.278 14 K C 0.726 177.290 176.600 -0.061 0.000 1.000 14 K CA 1.435 57.693 56.287 -0.048 0.000 1.012 14 K CB 0.251 32.723 32.500 -0.046 0.000 0.903 14 K HN 0.315 8.558 8.250 -0.011 0.000 0.485 15 N N 2.000 120.646 118.700 -0.090 0.000 2.816 15 N HA -0.351 4.432 4.740 -0.122 -0.115 0.247 15 N C -1.061 174.319 175.510 -0.217 0.000 1.100 15 N CA 0.684 53.661 53.050 -0.122 0.000 0.687 15 N CB -1.291 37.145 38.487 -0.085 0.000 1.003 15 N HN 0.513 8.896 8.380 -0.086 -0.055 0.554 16 C N -5.582 113.523 119.300 -0.326 0.000 3.727 16 C HA -0.335 3.694 4.460 -0.718 0.000 0.293 16 C C -0.162 174.523 174.990 -0.509 0.000 1.339 16 C CA 0.689 59.224 59.018 -0.805 0.000 2.150 16 C CB -2.278 24.615 27.740 -1.412 0.000 1.383 16 C HN -0.185 7.915 8.230 -0.217 0.000 0.614 17 T N -1.570 112.925 114.554 -0.098 0.000 2.762 17 T HA 0.117 4.491 4.350 0.040 0.000 0.272 17 T C -0.154 174.665 174.700 0.199 0.000 0.982 17 T CA -1.954 60.174 62.100 0.048 0.000 1.013 17 T CB 2.421 71.296 68.868 0.013 0.000 1.309 17 T HN -0.417 7.700 8.240 -0.035 0.102 0.572 18 G N -0.006 108.892 108.800 0.163 0.000 2.720 18 G HA2 -0.344 3.700 3.960 0.138 0.000 0.293 18 G HA3 -0.344 3.965 3.960 0.226 -0.213 0.293 18 G C -1.402 173.627 174.900 0.215 0.000 1.256 18 G CA 0.747 45.961 45.100 0.190 0.000 0.974 18 G HN 0.108 8.464 8.290 0.109 0.000 0.551 19 E N 2.889 123.268 120.200 0.300 0.000 2.232 19 E HA 0.345 4.765 4.350 0.117 0.000 0.264 19 E C -1.403 175.285 176.600 0.147 0.000 0.973 19 E CA -1.889 54.634 56.400 0.206 0.000 0.849 19 E CB 2.480 32.339 29.700 0.266 0.000 1.198 19 E HN 0.127 8.735 8.360 0.414 0.000 0.407 20 S N 0.187 115.844 115.700 -0.071 0.000 2.536 20 S HA 0.909 5.312 4.470 -0.382 -0.162 0.287 20 S C -0.912 173.449 174.600 -0.399 0.000 1.101 20 S CA -1.387 56.646 58.200 -0.278 0.000 0.950 20 S CB 2.763 65.807 63.200 -0.260 0.000 1.056 20 S HN 0.166 8.393 8.310 -0.137 0.000 0.481 21 F N 1.647 121.294 119.950 -0.505 0.000 2.613 21 F HA 0.289 4.574 4.527 -0.404 0.000 0.310 21 F C -1.413 174.180 175.800 -0.344 0.000 1.085 21 F CA -0.367 57.374 58.000 -0.432 0.000 0.945 21 F CB 5.474 44.189 39.000 -0.474 0.000 1.298 21 F HN 0.509 8.601 8.300 -0.347 0.000 0.455 22 E N 0.590 120.663 120.200 -0.212 0.000 2.288 22 E HA 0.359 4.676 4.350 -0.055 0.000 0.268 22 E C -1.565 174.808 176.600 -0.377 0.000 0.885 22 E CA -1.120 55.168 56.400 -0.186 0.000 0.767 22 E CB 3.389 32.979 29.700 -0.184 0.000 1.220 22 E HN 0.039 8.218 8.360 -0.302 0.000 0.427 23 Y N 0.513 120.715 120.300 -0.163 0.000 2.470 23 Y HA 0.174 4.623 4.550 -0.167 0.000 0.341 23 Y C -1.455 174.403 175.900 -0.069 0.000 1.021 23 Y CA -0.394 57.608 58.100 -0.164 0.000 1.025 23 Y CB 4.714 43.013 38.460 -0.269 0.000 1.266 23 Y HN 0.643 8.969 8.280 0.078 0.000 0.448 24 N N 2.940 121.688 118.700 0.081 0.000 2.503 24 N HA 0.057 4.825 4.740 0.046 0.000 0.267 24 N C -0.638 174.935 175.510 0.106 0.000 1.214 24 N CA -0.142 52.947 53.050 0.067 0.000 0.959 24 N CB 0.962 39.468 38.487 0.032 0.000 1.142 24 N HN 0.219 8.626 8.380 0.045 0.000 0.455 25 K N 2.888 123.334 120.400 0.077 0.000 2.380 25 K HA -0.064 4.311 4.320 0.091 0.000 0.267 25 K C 0.859 177.509 176.600 0.084 0.000 0.990 25 K CA 0.842 57.173 56.287 0.072 0.000 0.946 25 K CB 0.032 32.551 32.500 0.032 0.000 0.937 25 K HN 0.319 8.602 8.250 0.056 0.000 0.491 26 G N 0.957 109.819 108.800 0.103 0.000 2.324 26 G HA2 -0.425 3.733 3.960 0.190 0.000 0.292 26 G HA3 -0.425 3.635 3.960 0.166 0.000 0.292 26 G C -1.376 173.605 174.900 0.135 0.000 1.079 26 G CA 0.402 45.592 45.100 0.150 0.000 1.026 26 G HN 0.522 8.869 8.290 0.096 0.000 0.506 27 E N -0.334 119.948 120.200 0.137 0.000 2.314 27 E HA 0.411 4.826 4.350 0.108 0.000 0.272 27 E C -1.559 175.123 176.600 0.136 0.000 0.884 27 E CA -1.340 55.139 56.400 0.131 0.000 0.753 27 E CB 4.091 33.884 29.700 0.154 0.000 1.213 27 E HN -0.316 8.133 8.360 0.147 0.000 0.432 28 T N 4.652 119.269 114.554 0.105 0.000 2.824 28 T HA 0.591 5.149 4.350 0.118 -0.137 0.282 28 T C -1.191 173.533 174.700 0.039 0.000 0.993 28 T CA -0.911 61.238 62.100 0.082 0.000 0.967 28 T CB 1.712 70.605 68.868 0.041 0.000 0.960 28 T HN 0.259 8.553 8.240 0.091 0.000 0.441 29 V N 1.598 121.520 119.914 0.013 0.000 2.482 29 V HA 0.470 4.473 4.120 -0.194 0.000 0.295 29 V C -1.972 173.929 176.094 -0.322 0.000 1.026 29 V CA -2.164 60.028 62.300 -0.179 0.000 0.856 29 V CB 2.253 33.988 31.823 -0.147 0.000 1.001 29 V HN 1.075 9.319 8.190 0.089 0.000 0.424 30 R N 7.800 128.068 120.500 -0.387 0.000 2.310 30 R HA 0.273 4.525 4.340 -0.146 0.000 0.316 30 R C -1.045 175.072 176.300 -0.304 0.000 1.004 30 R CA -1.651 54.289 56.100 -0.267 0.000 0.900 30 R CB 0.231 30.411 30.300 -0.200 0.000 1.152 30 R HN 0.285 8.353 8.270 -0.337 0.000 0.513 31 F N 5.754 125.750 119.950 0.077 0.000 2.378 31 F HA 0.014 4.582 4.527 0.067 0.000 0.319 31 F C -0.369 175.442 175.800 0.017 0.000 1.155 31 F CA 0.148 58.187 58.000 0.064 0.000 1.157 31 F CB 1.233 40.292 39.000 0.099 0.000 1.252 31 F HN -0.138 8.191 8.300 0.049 0.000 0.550 32 N N -0.241 118.574 118.700 0.192 0.000 2.430 32 N HA 0.103 4.881 4.740 0.064 0.000 0.298 32 N C 0.305 175.852 175.510 0.061 0.000 1.130 32 N CA -0.619 52.480 53.050 0.083 0.000 0.894 32 N CB 3.051 41.559 38.487 0.036 0.000 1.209 32 N HN 0.146 8.666 8.380 0.233 0.000 0.503 33 N N 2.135 120.854 118.700 0.032 0.000 2.443 33 N HA -0.213 4.537 4.740 0.017 0.000 0.184 33 N C 1.234 176.735 175.510 -0.015 0.000 1.037 33 N CA 2.318 55.376 53.050 0.013 0.000 0.896 33 N CB -0.311 38.186 38.487 0.017 0.000 0.959 33 N HN 0.437 8.834 8.380 0.029 0.000 0.442 34 G N -2.671 106.112 108.800 -0.028 0.000 2.422 34 G HA2 -0.166 3.765 3.960 -0.048 0.000 0.218 34 G HA3 -0.166 3.759 3.960 -0.058 0.000 0.218 34 G C -0.362 174.460 174.900 -0.130 0.000 1.140 34 G CA 0.046 45.110 45.100 -0.061 0.000 0.775 34 G HN -0.085 8.152 8.290 -0.013 0.045 0.545 35 D N 2.699 122.999 120.400 -0.167 0.000 2.352 35 D HA 0.126 4.445 4.640 -0.535 0.000 0.245 35 D C 0.633 176.792 176.300 -0.235 0.000 1.224 35 D CA 0.248 54.036 54.000 -0.353 0.000 0.879 35 D CB 0.208 40.798 40.800 -0.350 0.000 1.057 35 D HN -0.615 7.700 8.370 -0.090 0.000 0.491 36 K N 4.904 125.178 120.400 -0.210 0.000 2.281 36 K HA -0.223 4.080 4.320 -0.027 0.000 0.203 36 K C 1.473 178.121 176.600 0.081 0.000 1.046 36 K CA 2.751 59.023 56.287 -0.024 0.000 0.938 36 K CB -0.632 31.903 32.500 0.058 0.000 0.737 36 K HN 0.460 8.544 8.250 -0.276 0.000 0.458 37 W N -3.705 117.562 121.300 -0.054 0.000 2.421 37 W HA -0.202 4.383 4.660 -0.126 0.000 0.270 37 W C 1.229 177.569 176.519 -0.298 0.000 1.233 37 W CA -0.613 56.666 57.345 -0.111 0.000 1.226 37 W CB -1.598 27.874 29.460 0.020 0.000 1.121 37 W HN -0.180 7.832 8.180 -0.207 0.043 0.579 38 N N -0.091 118.544 118.700 -0.108 0.000 2.062 38 N HA -0.309 4.115 4.740 -0.527 0.000 0.191 38 N C 1.577 177.001 175.510 -0.143 0.000 1.042 38 N CA 3.005 55.915 53.050 -0.234 0.000 0.845 38 N CB 0.180 38.631 38.487 -0.060 0.000 1.024 38 N HN -0.406 7.796 8.380 -0.049 0.149 0.424 39 D N -1.195 119.161 120.400 -0.074 0.000 2.309 39 D HA -0.181 4.464 4.640 0.009 0.000 0.212 39 D C 1.147 177.393 176.300 -0.090 0.000 0.968 39 D CA 2.155 56.134 54.000 -0.035 0.000 0.882 39 D CB -0.458 40.334 40.800 -0.014 0.000 0.918 39 D HN -0.247 8.090 8.370 -0.055 0.000 0.503 40 K N -2.393 117.857 120.400 -0.249 0.000 2.280 40 K HA -0.196 3.946 4.320 -0.297 0.000 0.202 40 K C -0.108 176.046 176.600 -0.743 0.000 1.047 40 K CA -0.190 55.781 56.287 -0.527 0.000 0.942 40 K CB -0.077 31.985 32.500 -0.730 0.000 0.739 40 K HN -0.573 7.407 8.250 -0.212 0.143 0.457 41 F N 0.636 120.176 119.950 -0.683 0.000 2.604 41 F HA -0.380 4.099 4.527 -0.080 0.000 0.393 41 F C -0.847 174.896 175.800 -0.096 0.000 1.043 41 F CA 1.957 59.816 58.000 -0.235 0.000 1.227 41 F CB 0.321 39.288 39.000 -0.057 0.000 1.016 41 F HN -0.632 7.470 8.300 -0.263 0.040 0.556 42 M N 4.452 123.697 119.600 -0.593 0.000 1.869 42 M HA 0.143 4.354 4.480 -0.448 0.000 0.287 42 M C -1.462 174.552 176.300 -0.478 0.000 1.017 42 M CA 0.311 55.337 55.300 -0.457 0.000 1.077 42 M CB 3.541 36.051 32.600 -0.150 0.000 1.989 42 M HN -0.194 7.821 8.290 -0.459 0.000 0.694 43 S N -3.013 112.474 115.700 -0.355 0.000 2.651 43 S HA 0.669 5.110 4.470 -0.236 -0.112 0.279 43 S C -2.137 172.449 174.600 -0.024 0.000 1.148 43 S CA -0.388 57.714 58.200 -0.163 0.000 0.837 43 S CB 3.614 66.828 63.200 0.023 0.000 1.138 43 S HN 0.038 8.231 8.310 -0.195 0.000 0.478 44 C N -2.909 116.444 119.300 0.087 0.000 3.306 44 C HA 0.481 5.218 4.460 0.335 -0.076 0.335 44 C C -2.864 172.272 174.990 0.242 0.000 1.382 44 C CA -1.790 57.345 59.018 0.195 0.000 1.254 44 C CB 3.643 31.400 27.740 0.028 0.000 1.555 44 C HN 0.776 9.039 8.230 0.055 0.000 0.463 45 L N -0.520 120.871 121.223 0.281 0.000 2.470 45 L HA 0.465 4.919 4.340 0.189 0.000 0.268 45 L C -2.172 174.824 176.870 0.210 0.000 0.964 45 L CA -0.190 54.798 54.840 0.247 0.000 0.839 45 L CB 4.507 46.763 42.059 0.329 0.000 1.276 45 L HN 0.707 9.116 8.230 0.298 0.000 0.403 46 V N 2.248 122.262 119.914 0.167 0.000 2.531 46 V HA 0.309 4.530 4.120 0.167 0.000 0.301 46 V C -0.413 175.752 176.094 0.119 0.000 1.034 46 V CA -1.537 60.854 62.300 0.153 0.000 0.865 46 V CB 2.605 34.521 31.823 0.156 0.000 0.995 46 V HN 0.244 8.522 8.190 0.147 0.000 0.424 47 G N 6.212 115.077 108.800 0.108 0.000 2.879 47 G HA2 -0.117 3.901 3.960 0.083 0.000 0.200 47 G HA3 -0.117 4.006 3.960 0.076 -0.117 0.200 47 G C -0.548 174.393 174.900 0.068 0.000 1.437 47 G CA 2.010 47.160 45.100 0.083 0.000 0.835 47 G HN 0.321 8.682 8.290 0.118 0.000 0.640 48 S N -3.332 112.403 115.700 0.058 0.000 2.067 48 S HA -0.044 4.536 4.470 0.053 -0.078 0.249 48 S C -0.221 174.402 174.600 0.039 0.000 0.916 48 S CA 0.323 58.552 58.200 0.048 0.000 1.458 48 S CB 0.935 64.159 63.200 0.040 0.000 1.037 48 S HN -0.681 7.664 8.310 0.058 0.000 0.483 49 N N 1.756 120.475 118.700 0.032 0.000 2.338 49 N HA 0.292 5.039 4.740 0.012 0.000 0.251 49 N C -1.901 173.614 175.510 0.009 0.000 1.199 49 N CA -0.194 52.864 53.050 0.014 0.000 0.879 49 N CB 1.274 39.763 38.487 0.003 0.000 1.159 49 N HN -0.346 8.055 8.380 0.036 0.000 0.514 50 V N -3.968 115.967 119.914 0.036 0.000 2.610 50 V HA 0.566 4.865 4.120 0.021 -0.166 0.298 50 V C -1.755 174.390 176.094 0.086 0.000 1.067 50 V CA -2.010 60.321 62.300 0.050 0.000 0.894 50 V CB 1.216 33.080 31.823 0.069 0.000 1.015 50 V HN -0.893 7.253 8.190 0.050 0.075 0.432 51 R N 5.949 126.504 120.500 0.091 0.000 2.582 51 R HA 0.195 4.615 4.340 0.133 0.000 0.271 51 R C -1.150 175.266 176.300 0.193 0.000 1.078 51 R CA -0.421 55.760 56.100 0.135 0.000 1.127 51 R CB 1.676 32.055 30.300 0.133 0.000 1.038 51 R HN 0.507 8.814 8.270 0.063 0.000 0.500 52 C N 2.444 121.888 119.300 0.240 0.000 2.547 52 C HA 0.628 5.509 4.460 0.420 -0.169 0.313 52 C C -2.104 173.065 174.990 0.299 0.000 1.191 52 C CA -1.490 57.748 59.018 0.367 0.000 1.474 52 C CB 3.589 31.602 27.740 0.454 0.000 2.081 52 C HN -0.151 8.203 8.230 0.207 0.000 0.476 53 N N 4.565 123.443 118.700 0.296 0.000 2.448 53 N HA 0.458 5.451 4.740 0.422 0.000 0.279 53 N C -1.297 174.258 175.510 0.076 0.000 1.025 53 N CA -0.386 52.857 53.050 0.322 0.000 0.898 53 N CB 2.755 41.400 38.487 0.263 0.000 1.303 53 N HN 0.636 9.274 8.380 0.430 0.000 0.495 54 I N -2.679 117.881 120.570 -0.017 0.000 2.382 54 I HA 0.739 4.756 4.170 -0.541 -0.172 0.286 54 I C -1.935 174.099 176.117 -0.137 0.000 1.002 54 I CA -1.711 59.357 61.300 -0.387 0.000 1.135 54 I CB 2.150 39.693 38.000 -0.762 0.000 1.288 54 I HN 0.610 8.856 8.210 0.060 0.000 0.448 55 W N 6.307 127.461 121.300 -0.244 0.000 2.736 55 W HA 0.495 5.257 4.660 -0.038 -0.124 0.335 55 W C -0.928 175.527 176.519 -0.107 0.000 1.059 55 W CA -0.927 56.358 57.345 -0.099 0.000 1.226 55 W CB 4.841 34.272 29.460 -0.047 0.000 1.416 55 W HN 0.634 8.884 8.180 0.118 0.000 0.505 56 E N 2.530 122.751 120.200 0.035 0.000 2.306 56 E HA 0.115 4.476 4.350 0.019 0.000 0.201 56 E C -1.046 175.625 176.600 0.119 0.000 0.874 56 E CA -0.084 56.339 56.400 0.038 0.000 0.972 56 E CB 2.696 32.389 29.700 -0.011 0.000 0.957 56 E HN 0.192 8.532 8.360 -0.032 0.000 0.492 57 H N 0.753 119.852 119.070 0.048 0.000 2.524 57 H HA 0.291 4.876 4.556 0.048 0.000 0.353 57 H C -1.750 173.647 175.328 0.116 0.000 1.136 57 H CA -0.253 55.830 56.048 0.059 0.000 1.193 57 H CB 1.778 31.556 29.762 0.026 0.000 1.558 57 H HN -0.795 7.588 8.280 0.172 0.000 0.515 58 N N 4.844 123.371 118.700 -0.289 0.000 2.454 58 N HA 0.279 5.050 4.740 0.051 0.000 0.291 58 N C -1.703 173.693 175.510 -0.191 0.000 1.079 58 N CA -0.313 52.671 53.050 -0.110 0.000 0.893 58 N CB 2.383 40.820 38.487 -0.084 0.000 1.512 58 N HN 0.097 8.003 8.380 -0.790 0.000 0.497 59 E N 1.266 121.439 120.200 -0.046 0.000 2.423 59 E HA 0.309 4.630 4.350 -0.047 0.000 0.280 59 E C -1.964 174.637 176.600 0.002 0.000 1.030 59 E CA -0.689 55.702 56.400 -0.015 0.000 0.812 59 E CB 3.469 33.214 29.700 0.074 0.000 1.313 59 E HN 0.120 8.489 8.360 0.014 0.000 0.456 60 I N -3.763 116.805 120.570 -0.002 0.000 2.831 60 I HA 0.392 4.553 4.170 -0.015 0.000 0.326 60 I C -1.554 174.555 176.117 -0.014 0.000 1.449 60 I CA 0.270 61.563 61.300 -0.012 0.000 0.809 60 I CB 0.296 38.287 38.000 -0.015 0.000 2.112 60 I HN 0.204 8.414 8.210 0.000 0.000 0.584 61 D N -0.114 120.283 120.400 -0.006 0.000 1.520 61 D HA -0.012 4.618 4.640 -0.018 0.000 0.776 61 D C -0.021 176.278 176.300 -0.002 0.000 0.570 61 D CA 0.651 54.645 54.000 -0.009 0.000 1.290 61 D CB 0.691 41.486 40.800 -0.008 0.000 1.181 61 D HN -0.242 8.130 8.370 0.003 0.000 0.425 62 T N 4.172 118.735 114.554 0.015 0.000 2.934 62 T HA 0.118 4.475 4.350 0.012 0.000 0.306 62 T C 0.178 174.880 174.700 0.003 0.000 1.042 62 T CA -1.315 60.797 62.100 0.019 0.000 1.145 62 T CB 0.878 69.777 68.868 0.053 0.000 0.982 62 T HN -0.551 7.908 8.240 0.026 -0.203 0.544 63 P HA 0.082 4.491 4.420 -0.019 0.000 0.230 63 P C -0.308 176.982 177.300 -0.017 0.000 1.168 63 P CA 0.266 63.357 63.100 -0.015 0.000 0.793 63 P CB 0.590 32.280 31.700 -0.017 0.000 0.851 64 T N 3.246 117.790 114.554 -0.017 0.000 2.779 64 T HA 0.183 4.520 4.350 -0.022 0.000 0.296 64 T C -1.625 173.068 174.700 -0.013 0.000 0.938 64 T CA -2.483 59.603 62.100 -0.024 0.000 1.119 64 T CB 0.566 69.407 68.868 -0.045 0.000 0.891 64 T HN -0.382 7.850 8.240 -0.014 0.000 0.526 65 P HA 0.082 4.495 4.420 -0.012 0.000 0.275 65 P C -0.349 176.973 177.300 0.036 0.000 1.276 65 P CA -0.629 62.471 63.100 0.000 0.000 0.782 65 P CB 0.404 32.098 31.700 -0.010 0.000 0.851 66 G N 2.068 110.910 108.800 0.070 0.000 2.614 66 G HA2 -0.154 3.813 3.960 0.012 0.000 0.239 66 G HA3 -0.154 3.943 3.960 0.227 0.000 0.239 66 G C -0.933 174.031 174.900 0.108 0.000 1.240 66 G CA -0.535 44.628 45.100 0.106 0.000 0.842 66 G HN 0.013 8.352 8.290 0.083 0.000 0.584 67 K N 0.514 120.941 120.400 0.045 0.000 2.412 67 K HA -0.057 4.250 4.320 -0.021 0.000 0.284 67 K C -1.192 175.298 176.600 -0.184 0.000 1.046 67 K CA 0.373 56.632 56.287 -0.047 0.000 0.999 67 K CB -0.080 32.365 32.500 -0.090 0.000 0.941 67 K HN 0.291 8.565 8.250 0.040 0.000 0.474 68 F N 0.725 120.328 119.950 -0.577 0.000 2.591 68 F HA 0.725 4.389 4.527 -1.641 -0.122 0.309 68 F C -1.782 173.511 175.800 -0.846 0.000 1.098 68 F CA -2.387 54.907 58.000 -1.177 0.000 0.937 68 F CB 3.624 41.896 39.000 -1.213 0.000 1.250 68 F HN -0.298 7.857 8.300 -0.241 0.000 0.447 69 Q N 1.278 120.416 119.800 -1.103 0.000 2.313 69 Q HA 0.227 4.061 4.340 -0.843 0.000 0.260 69 Q C -1.812 173.983 176.000 -0.342 0.000 0.972 69 Q CA -0.471 54.906 55.803 -0.710 0.000 0.886 69 Q CB 4.562 33.008 28.738 -0.486 0.000 1.373 69 Q HN 0.611 8.075 8.270 -1.344 0.000 0.416 70 E N 5.271 125.421 120.200 -0.084 0.000 2.104 70 E HA -0.040 4.484 4.350 0.291 0.000 0.278 70 E C -1.234 175.402 176.600 0.061 0.000 1.127 70 E CA -0.488 56.002 56.400 0.149 0.000 0.897 70 E CB -0.344 29.504 29.700 0.246 0.000 1.043 70 E HN 0.373 8.639 8.360 -0.157 0.000 0.410 71 L N 5.676 126.943 121.223 0.073 0.000 2.534 71 L HA -0.182 4.181 4.340 0.037 0.000 0.271 71 L C -0.832 176.101 176.870 0.105 0.000 1.178 71 L CA 0.227 55.114 54.840 0.077 0.000 0.907 71 L CB 0.414 42.542 42.059 0.117 0.000 1.164 71 L HN 0.098 8.396 8.230 0.114 0.000 0.482 72 A N 5.407 128.274 122.820 0.078 0.000 2.561 72 A HA -0.191 4.177 4.320 0.081 0.000 0.234 72 A C -0.041 177.598 177.584 0.091 0.000 1.055 72 A CA 0.901 52.984 52.037 0.077 0.000 0.756 72 A CB 0.550 19.583 19.000 0.055 0.000 0.986 72 A HN 0.187 8.369 8.150 0.054 0.000 0.505 73 Q N -0.247 119.605 119.800 0.087 0.000 2.368 73 Q HA -0.299 4.239 4.340 0.100 -0.138 0.210 73 Q C -0.207 175.839 176.000 0.077 0.000 0.982 73 Q CA 1.707 57.561 55.803 0.085 0.000 0.884 73 Q CB 0.643 29.424 28.738 0.072 0.000 0.933 73 Q HN 0.351 8.671 8.270 0.083 0.000 0.460 74 G N -5.264 103.578 108.800 0.070 0.000 2.668 74 G HA2 0.264 4.438 3.960 0.078 0.000 0.284 74 G HA3 0.264 4.298 3.960 0.058 -0.039 0.284 74 G C -1.958 172.980 174.900 0.063 0.000 1.456 74 G CA -0.118 45.023 45.100 0.068 0.000 1.214 74 G HN -0.681 7.594 8.290 0.068 0.056 0.568 75 S N 1.071 116.813 115.700 0.070 0.000 2.688 75 S HA 0.123 4.623 4.470 0.050 0.000 0.269 75 S C -2.000 172.642 174.600 0.071 0.000 1.060 75 S CA -0.323 57.913 58.200 0.060 0.000 0.844 75 S CB 1.672 64.902 63.200 0.049 0.000 1.095 75 S HN 0.460 8.820 8.310 0.084 0.000 0.466 76 T N 2.247 116.834 114.554 0.055 0.000 2.859 76 T HA 0.259 4.660 4.350 0.085 0.000 0.281 76 T C -0.930 173.793 174.700 0.038 0.000 1.005 76 T CA -0.047 62.086 62.100 0.055 0.000 1.025 76 T CB 1.013 69.900 68.868 0.032 0.000 0.977 76 T HN 0.083 8.347 8.240 0.040 0.000 0.458 77 N N 5.573 124.298 118.700 0.041 0.000 2.626 77 N HA 0.233 4.975 4.740 0.003 0.000 0.249 77 N C -1.605 173.889 175.510 -0.026 0.000 1.021 77 N CA 0.015 53.073 53.050 0.013 0.000 0.886 77 N CB 1.142 39.653 38.487 0.039 0.000 1.149 77 N HN 0.437 8.858 8.380 0.069 0.000 0.517 78 N N 1.823 120.498 118.700 -0.042 0.000 2.510 78 N HA -0.088 4.611 4.740 -0.069 0.000 0.186 78 N C -1.776 173.691 175.510 -0.072 0.000 1.051 78 N CA 0.911 53.925 53.050 -0.060 0.000 0.877 78 N CB 2.097 40.553 38.487 -0.052 0.000 1.183 78 N HN 0.321 8.682 8.380 -0.031 0.000 0.443 79 D N -1.627 118.734 120.400 -0.064 0.000 2.602 79 D HA 0.175 4.765 4.640 -0.082 0.000 0.245 79 D C -1.088 175.177 176.300 -0.058 0.000 1.325 79 D CA -0.440 53.521 54.000 -0.066 0.000 0.952 79 D CB 0.480 41.250 40.800 -0.050 0.000 1.317 79 D HN -0.346 7.993 8.370 -0.053 0.000 0.577 80 L N 0.178 121.361 121.223 -0.065 0.000 3.483 80 L HA 0.507 4.826 4.340 -0.035 0.000 0.327 80 L C 0.622 177.492 176.870 -0.000 0.000 1.318 80 L CA -0.080 54.741 54.840 -0.032 0.000 0.979 80 L CB -0.979 41.075 42.059 -0.009 0.000 1.404 80 L HN 0.511 8.685 8.230 -0.093 0.000 0.615 81 T N 5.682 120.226 114.554 -0.017 0.000 2.778 81 T HA -0.481 3.888 4.350 0.031 0.000 0.269 81 T C 1.724 176.423 174.700 -0.003 0.000 1.050 81 T CA 5.649 67.751 62.100 0.002 0.000 1.137 81 T CB -0.214 68.645 68.868 -0.015 0.000 0.860 81 T HN -0.498 7.922 8.240 -0.037 -0.202 0.468 82 S N 1.399 117.084 115.700 -0.025 0.000 2.440 82 S HA -0.281 4.164 4.470 -0.042 0.000 0.238 82 S C 0.726 175.288 174.600 -0.065 0.000 1.010 82 S CA 2.480 60.652 58.200 -0.046 0.000 0.972 82 S CB -0.327 62.838 63.200 -0.060 0.000 0.774 82 S HN 0.045 8.325 8.310 -0.030 0.012 0.501 83 I N -2.346 118.193 120.570 -0.052 0.000 3.176 83 I HA -0.169 3.908 4.170 -0.155 0.000 0.275 83 I C -0.612 175.464 176.117 -0.069 0.000 1.298 83 I CA 0.036 61.284 61.300 -0.087 0.000 1.445 83 I CB -0.332 37.633 38.000 -0.057 0.000 1.075 83 I HN -0.344 7.689 8.210 -0.016 0.167 0.482 84 N N -1.365 117.324 118.700 -0.020 0.000 2.920 84 N HA -0.290 4.449 4.740 -0.003 0.000 0.247 84 N C -0.437 175.082 175.510 0.015 0.000 1.123 84 N CA 0.664 53.707 53.050 -0.011 0.000 0.711 84 N CB -0.986 37.481 38.487 -0.034 0.000 1.065 84 N HN -0.199 7.995 8.380 -0.004 0.183 0.554 85 G N -2.738 106.115 108.800 0.089 0.000 2.556 85 G HA2 -0.467 3.713 3.960 0.365 0.000 0.283 85 G HA3 -0.467 3.551 3.960 0.096 0.000 0.283 85 G C -2.003 172.853 174.900 -0.073 0.000 1.177 85 G CA 0.598 45.793 45.100 0.158 0.000 0.978 85 G HN -0.379 7.982 8.290 0.118 0.000 0.554 86 L N -0.184 120.929 121.223 -0.184 0.000 2.479 86 L HA 0.271 4.342 4.340 -0.450 0.000 0.255 86 L C -1.447 175.362 176.870 -0.101 0.000 1.026 86 L CA -1.151 53.466 54.840 -0.372 0.000 0.842 86 L CB 3.137 44.766 42.059 -0.717 0.000 1.444 86 L HN -0.087 8.110 8.230 -0.055 0.000 0.409 87 S N -2.489 113.197 115.700 -0.022 0.000 2.917 87 S HA 0.149 4.869 4.470 0.147 -0.162 0.269 87 S C -1.129 173.591 174.600 0.200 0.000 1.072 87 S CA 0.097 58.360 58.200 0.106 0.000 0.967 87 S CB 2.634 65.875 63.200 0.068 0.000 0.906 87 S HN 0.062 8.329 8.310 -0.072 0.000 0.463 88 K N 2.450 122.940 120.400 0.150 0.000 2.378 88 K HA 0.526 5.070 4.320 0.170 -0.122 0.252 88 K C -2.706 174.014 176.600 0.198 0.000 0.931 88 K CA -0.716 55.668 56.287 0.161 0.000 0.794 88 K CB 3.792 36.340 32.500 0.079 0.000 1.181 88 K HN -0.280 8.025 8.250 0.091 0.000 0.425 89 F N 4.510 124.540 119.950 0.133 0.000 2.540 89 F HA 0.917 5.759 4.527 0.149 -0.225 0.317 89 F C -2.274 173.581 175.800 0.092 0.000 1.104 89 F CA -2.044 56.045 58.000 0.149 0.000 0.913 89 F CB 4.843 44.005 39.000 0.271 0.000 1.170 89 F HN 0.807 9.289 8.300 0.303 0.000 0.450 90 Q N 5.051 125.123 119.800 0.454 0.000 2.337 90 Q HA 0.565 5.164 4.340 0.224 -0.125 0.270 90 Q C -2.182 174.021 176.000 0.340 0.000 1.043 90 Q CA -1.489 54.480 55.803 0.277 0.000 0.794 90 Q CB 4.427 33.228 28.738 0.104 0.000 1.281 90 Q HN 0.580 9.138 8.270 0.481 0.000 0.446 91 V N 6.636 126.698 119.914 0.247 0.000 2.417 91 V HA 0.642 5.098 4.120 0.250 -0.185 0.291 91 V C -1.377 174.818 176.094 0.167 0.000 1.024 91 V CA -1.848 60.578 62.300 0.211 0.000 0.861 91 V CB 1.170 33.090 31.823 0.161 0.000 0.985 91 V HN 0.975 9.181 8.190 0.202 0.106 0.436 92 L N 5.743 127.052 121.223 0.143 0.000 2.362 92 L HA 0.582 5.009 4.340 0.145 0.000 0.271 92 L C -1.782 175.080 176.870 -0.015 0.000 1.002 92 L CA -3.116 51.783 54.840 0.099 0.000 0.818 92 L CB 2.102 44.233 42.059 0.120 0.000 1.298 92 L HN 0.779 8.990 8.230 0.152 0.110 0.420 93 P HA 0.088 4.455 4.420 -0.088 0.000 0.258 93 P C -0.006 177.148 177.300 -0.243 0.000 1.559 93 P CA -0.633 62.343 63.100 -0.208 0.000 0.855 93 P CB -1.142 30.399 31.700 -0.264 0.000 1.594 94 G N -1.177 107.521 108.800 -0.170 0.000 2.203 94 G HA2 -0.338 3.736 3.960 -0.056 0.000 0.263 94 G HA3 -0.338 3.698 3.960 -0.079 -0.123 0.263 94 G C -0.875 173.917 174.900 -0.180 0.000 1.012 94 G CA 0.860 45.889 45.100 -0.117 0.000 0.749 94 G HN -0.191 7.918 8.290 -0.107 0.117 0.512 95 A N -2.281 120.313 122.820 -0.376 0.000 2.141 95 A HA 0.298 4.497 4.320 -0.203 0.000 0.196 95 A C -1.432 175.985 177.584 -0.278 0.000 1.502 95 A CA 0.107 51.883 52.037 -0.434 0.000 1.075 95 A CB 1.085 19.645 19.000 -0.733 0.000 1.217 95 A HN -0.144 7.646 8.150 -0.517 0.050 0.477 96 F N -3.108 116.836 119.950 -0.011 0.000 2.508 96 F HA 0.424 4.915 4.527 -0.061 0.000 0.325 96 F C -0.654 175.148 175.800 0.004 0.000 1.090 96 F CA -2.696 55.275 58.000 -0.047 0.000 0.945 96 F CB 1.387 40.323 39.000 -0.107 0.000 1.156 96 F HN -0.821 7.156 8.300 -0.539 0.000 0.463 97 Q N 2.522 122.441 119.800 0.197 0.000 2.187 97 Q HA -0.045 4.412 4.340 0.196 0.000 0.199 97 Q C -0.452 175.711 176.000 0.271 0.000 0.957 97 Q CA 1.917 57.857 55.803 0.228 0.000 0.857 97 Q CB 2.136 31.050 28.738 0.295 0.000 0.929 97 Q HN -0.014 8.353 8.270 0.161 0.000 0.453 98 W N -7.566 113.686 121.300 -0.081 0.000 3.018 98 W HA 0.302 4.904 4.660 -0.096 0.000 0.352 98 W C -3.095 173.377 176.519 -0.078 0.000 1.230 98 W CA -2.027 55.228 57.345 -0.151 0.000 1.162 98 W CB 1.018 30.239 29.460 -0.399 0.000 1.483 98 W HN -0.575 7.602 8.180 -0.006 0.000 0.584 99 A N -1.886 120.967 122.820 0.054 0.000 2.593 99 A HA 0.635 4.781 4.320 -0.469 -0.107 0.290 99 A C -2.260 175.343 177.584 0.032 0.000 1.126 99 A CA -1.280 50.670 52.037 -0.145 0.000 0.695 99 A CB 3.401 22.356 19.000 -0.075 0.000 1.290 99 A HN 0.067 8.360 8.150 0.238 0.000 0.414 100 V N -0.031 119.862 119.914 -0.034 0.000 2.686 100 V HA 0.290 4.549 4.120 0.039 -0.115 0.306 100 V C -2.091 174.042 176.094 0.065 0.000 1.065 100 V CA -1.965 60.381 62.300 0.077 0.000 0.894 100 V CB 3.822 35.835 31.823 0.315 0.000 1.004 100 V HN 0.091 8.190 8.190 -0.152 0.000 0.424 101 D N 10.057 130.471 120.400 0.024 0.000 2.264 101 D HA 0.590 5.512 4.640 0.129 -0.204 0.250 101 D C -0.888 175.575 176.300 0.272 0.000 1.113 101 D CA -0.234 53.829 54.000 0.105 0.000 0.871 101 D CB 1.219 42.020 40.800 0.002 0.000 1.167 101 D HN 0.377 8.696 8.370 -0.086 0.000 0.447 102 V N -2.891 117.245 119.914 0.371 0.000 2.789 102 V HA 0.887 5.608 4.120 0.672 -0.198 0.311 102 V C -2.333 173.994 176.094 0.388 0.000 1.073 102 V CA -2.988 59.620 62.300 0.513 0.000 0.921 102 V CB 3.491 35.625 31.823 0.519 0.000 1.009 102 V HN 0.624 8.979 8.190 0.275 0.000 0.426 103 K N 3.123 123.776 120.400 0.421 0.000 2.498 103 K HA 0.379 4.716 4.320 0.029 0.000 0.254 103 K C -1.689 175.013 176.600 0.170 0.000 0.933 103 K CA -1.427 54.939 56.287 0.131 0.000 0.806 103 K CB 3.789 36.145 32.500 -0.239 0.000 1.301 103 K HN -0.441 8.180 8.250 0.618 0.000 0.432 104 I N 0.579 121.176 120.570 0.046 0.000 2.612 104 I HA 0.803 5.242 4.170 0.166 -0.170 0.295 104 I C -1.454 174.695 176.117 0.053 0.000 1.011 104 I CA -0.916 60.427 61.300 0.071 0.000 1.326 104 I CB 1.437 39.444 38.000 0.010 0.000 1.427 104 I HN 0.308 8.504 8.210 -0.024 0.000 0.537 105 V N 1.381 121.344 119.914 0.082 0.000 2.569 105 V HA 0.230 4.475 4.120 0.044 -0.098 0.301 105 V C -0.984 175.156 176.094 0.077 0.000 1.044 105 V CA -2.266 60.074 62.300 0.067 0.000 0.874 105 V CB 2.738 34.607 31.823 0.076 0.000 1.002 105 V HN 0.508 8.762 8.190 0.107 0.000 0.424 106 N N 6.940 125.694 118.700 0.090 0.000 2.411 106 N HA -0.268 4.568 4.740 0.160 0.000 0.282 106 N C -0.649 174.908 175.510 0.078 0.000 1.322 106 N CA 0.586 53.706 53.050 0.115 0.000 0.943 106 N CB -0.842 37.712 38.487 0.111 0.000 1.266 106 N HN 0.068 8.611 8.380 0.075 -0.118 0.486 107 K N 1.548 121.990 120.400 0.069 0.000 2.440 107 K HA 0.207 4.555 4.320 0.048 0.000 0.206 107 K C 0.111 176.742 176.600 0.052 0.000 1.025 107 K CA -1.116 55.201 56.287 0.050 0.000 1.135 107 K CB 0.528 33.051 32.500 0.038 0.000 0.856 107 K HN -0.074 8.216 8.250 0.068 0.000 0.502 108 V N -3.039 116.922 119.914 0.078 0.000 3.151 108 V HA 0.016 4.170 4.120 0.057 0.000 0.235 108 V C -1.165 174.985 176.094 0.094 0.000 1.501 108 V CA 0.970 63.320 62.300 0.082 0.000 1.211 108 V CB 1.047 32.924 31.823 0.089 0.000 1.049 108 V HN -0.442 7.726 8.190 0.104 0.084 0.455 109 N N -0.421 118.356 118.700 0.128 0.000 2.478 109 N HA 0.056 4.825 4.740 0.047 0.000 0.275 109 N C -1.066 174.465 175.510 0.036 0.000 1.221 109 N CA -0.026 53.068 53.050 0.073 0.000 0.979 109 N CB 2.035 40.555 38.487 0.055 0.000 1.202 109 N HN -0.114 8.376 8.380 0.182 0.000 0.564 110 S N -1.095 114.606 115.700 0.002 0.000 2.591 110 S HA 0.132 4.609 4.470 0.010 0.000 0.235 110 S C 1.168 175.761 174.600 -0.011 0.000 1.074 110 S CA 0.923 59.123 58.200 -0.001 0.000 0.925 110 S CB 0.755 63.952 63.200 -0.005 0.000 0.818 110 S HN 0.186 8.485 8.310 -0.018 0.000 0.535 111 T N 3.093 117.629 114.554 -0.031 0.000 2.904 111 T HA -0.115 4.220 4.350 -0.026 0.000 0.267 111 T C 0.393 175.071 174.700 -0.037 0.000 1.059 111 T CA 2.464 64.542 62.100 -0.036 0.000 1.137 111 T CB 0.467 69.306 68.868 -0.049 0.000 0.879 111 T HN 0.066 8.281 8.240 -0.042 0.000 0.467 112 A N -0.733 122.061 122.820 -0.044 0.000 2.617 112 A HA -0.308 4.022 4.320 0.017 0.000 0.236 112 A C 0.666 178.209 177.584 -0.067 0.000 0.514 112 A CA 1.705 53.729 52.037 -0.021 0.000 1.126 112 A CB -1.994 17.011 19.000 0.009 0.000 1.393 112 A HN 0.120 8.211 8.150 -0.054 0.026 0.693 113 G N -1.593 107.164 108.800 -0.072 0.000 3.324 113 G HA2 -0.141 3.772 3.960 -0.078 0.000 0.232 113 G HA3 -0.141 3.787 3.960 -0.053 0.000 0.232 113 G C -0.746 174.071 174.900 -0.139 0.000 1.213 113 G CA 0.095 45.146 45.100 -0.081 0.000 1.637 113 G HN -0.036 8.120 8.290 -0.052 0.103 0.572 114 S N -1.619 113.925 115.700 -0.261 0.000 2.733 114 S HA 0.282 4.446 4.470 -0.511 0.000 0.247 114 S C -0.851 173.431 174.600 -0.531 0.000 1.043 114 S CA -0.714 57.234 58.200 -0.419 0.000 1.066 114 S CB 2.182 65.172 63.200 -0.349 0.000 1.045 114 S HN -0.149 7.883 8.310 -0.271 0.116 0.586 115 Y N 1.438 121.624 120.300 -0.189 0.000 2.509 115 Y HA 0.305 4.741 4.550 -0.191 0.000 0.341 115 Y C -2.178 173.618 175.900 -0.173 0.000 1.038 115 Y CA -1.615 56.384 58.100 -0.169 0.000 1.089 115 Y CB 3.322 41.719 38.460 -0.105 0.000 1.241 115 Y HN -0.807 7.374 8.280 -0.164 0.000 0.468 116 E N 0.800 121.018 120.200 0.030 0.000 2.263 116 E HA 0.632 5.131 4.350 -0.050 -0.179 0.268 116 E C -2.074 174.491 176.600 -0.057 0.000 0.884 116 E CA -1.624 54.750 56.400 -0.044 0.000 0.766 116 E CB 4.290 33.943 29.700 -0.079 0.000 1.196 116 E HN 0.637 9.037 8.360 0.066 0.000 0.416 117 M N 8.241 127.785 119.600 -0.093 0.000 2.129 117 M HA 0.398 4.913 4.480 -0.146 -0.123 0.348 117 M C -1.973 174.249 176.300 -0.131 0.000 1.116 117 M CA -0.937 54.274 55.300 -0.149 0.000 1.022 117 M CB 2.820 35.279 32.600 -0.236 0.000 1.599 117 M HN 1.083 9.321 8.290 -0.087 0.000 0.449 118 T N 10.724 125.209 114.554 -0.116 0.000 2.791 118 T HA 0.819 5.366 4.350 -0.094 -0.253 0.288 118 T C -0.911 173.717 174.700 -0.121 0.000 0.999 118 T CA -0.696 61.348 62.100 -0.093 0.000 0.952 118 T CB 0.879 69.723 68.868 -0.040 0.000 0.938 118 T HN 0.939 9.004 8.240 -0.112 0.107 0.444 119 I N 2.704 123.193 120.570 -0.136 0.000 2.569 119 I HA 1.046 5.331 4.170 -0.131 -0.194 0.296 119 I C -2.098 173.938 176.117 -0.134 0.000 1.028 119 I CA -2.596 58.615 61.300 -0.149 0.000 1.082 119 I CB 3.538 41.420 38.000 -0.196 0.000 1.264 119 I HN 0.057 8.189 8.210 -0.131 0.000 0.429 120 T N 6.163 120.655 114.554 -0.103 0.000 3.133 120 T HA 0.573 4.851 4.350 -0.119 0.000 0.368 120 T C -2.227 172.421 174.700 -0.088 0.000 1.190 120 T CA -2.395 59.654 62.100 -0.085 0.000 1.282 120 T CB 0.663 69.516 68.868 -0.024 0.000 1.042 120 T HN 0.670 8.865 8.240 -0.074 0.000 0.536 121 P HA 0.029 4.552 4.420 -0.079 -0.151 0.271 121 P C -0.193 177.088 177.300 -0.032 0.000 1.244 121 P CA -1.178 61.854 63.100 -0.114 0.000 0.793 121 P CB 0.703 32.277 31.700 -0.210 0.000 0.984 122 Y N 2.958 123.216 120.300 -0.070 0.000 2.725 122 Y HA -0.470 4.062 4.550 -0.029 0.000 0.408 122 Y C -0.385 175.490 175.900 -0.043 0.000 1.367 122 Y CA 1.163 59.243 58.100 -0.035 0.000 1.794 122 Y CB -0.775 37.689 38.460 0.008 0.000 1.220 122 Y HN -0.512 7.876 8.280 0.179 0.000 0.477 123 Q N -0.374 119.243 119.800 -0.306 0.000 2.406 123 Q HA -0.335 3.891 4.340 -0.191 0.000 0.339 123 Q C -1.601 174.226 176.000 -0.287 0.000 1.337 123 Q CA 0.830 56.436 55.803 -0.328 0.000 0.985 123 Q CB -1.826 26.655 28.738 -0.429 0.000 1.216 123 Q HN 0.267 8.479 8.270 -0.096 0.000 0.415 124 V N -0.280 119.506 119.914 -0.215 0.000 2.630 124 V HA 0.077 4.078 4.120 -0.199 0.000 0.305 124 V C -0.528 175.472 176.094 -0.156 0.000 1.046 124 V CA -1.783 60.396 62.300 -0.201 0.000 0.934 124 V CB 1.723 33.401 31.823 -0.241 0.000 1.003 124 V HN -0.229 7.854 8.190 -0.179 0.000 0.451 125 D N 4.662 124.976 120.400 -0.143 0.000 2.479 125 D HA -0.177 4.412 4.640 -0.084 0.000 0.257 125 D C -0.210 176.019 176.300 -0.117 0.000 1.230 125 D CA 0.785 54.720 54.000 -0.109 0.000 0.912 125 D CB 0.248 40.996 40.800 -0.088 0.000 1.130 125 D HN 0.000 8.278 8.370 -0.154 0.000 0.515 126 K N 0.743 121.090 120.400 -0.089 0.000 2.511 126 K HA -0.177 4.247 4.320 -0.097 -0.162 0.280 126 K C -0.431 176.122 176.600 -0.079 0.000 1.008 126 K CA 0.190 56.429 56.287 -0.080 0.000 1.050 126 K CB 0.156 32.627 32.500 -0.049 0.000 0.889 126 K HN 0.078 8.284 8.250 -0.074 0.000 0.484 127 V N 5.137 124.996 119.914 -0.092 0.000 2.487 127 V HA 0.158 4.239 4.120 -0.065 0.000 0.298 127 V C -1.914 174.135 176.094 -0.074 0.000 1.028 127 V CA -1.503 60.748 62.300 -0.082 0.000 0.860 127 V CB 2.661 34.425 31.823 -0.098 0.000 0.991 127 V HN -0.259 7.868 8.190 -0.106 0.000 0.427 128 A N 9.367 132.153 122.820 -0.056 0.000 2.267 128 A HA 0.544 5.000 4.320 -0.063 -0.174 0.315 128 A C -0.971 176.581 177.584 -0.053 0.000 1.297 128 A CA -1.332 50.674 52.037 -0.052 0.000 0.865 128 A CB 0.269 19.249 19.000 -0.033 0.000 1.165 128 A HN 0.272 8.393 8.150 -0.047 0.000 0.513 129 C N 2.701 121.963 119.300 -0.064 0.000 2.561 129 C HA 0.500 4.930 4.460 -0.051 0.000 0.319 129 C C -1.757 173.193 174.990 -0.065 0.000 1.198 129 C CA -2.399 56.584 59.018 -0.059 0.000 1.665 129 C CB 3.404 31.112 27.740 -0.053 0.000 2.258 129 C HN 0.809 8.992 8.230 -0.078 0.000 0.493 130 K N 1.448 121.810 120.400 -0.064 0.000 2.313 130 K HA 0.389 4.813 4.320 -0.053 -0.137 0.235 130 K C -0.612 175.953 176.600 -0.059 0.000 1.035 130 K CA -1.923 54.325 56.287 -0.064 0.000 0.868 130 K CB 2.543 34.990 32.500 -0.088 0.000 1.232 130 K HN 0.040 8.254 8.250 -0.060 0.000 0.459 131 D N 1.555 121.928 120.400 -0.044 0.000 2.662 131 D HA -0.148 4.454 4.640 -0.063 0.000 0.228 131 D C -0.647 175.617 176.300 -0.060 0.000 1.093 131 D CA 1.345 55.318 54.000 -0.045 0.000 1.075 131 D CB -1.886 38.913 40.800 -0.002 0.000 1.122 131 D HN 0.039 8.390 8.370 -0.033 0.000 0.475 132 G N -0.206 108.549 108.800 -0.074 0.000 5.413 132 G HA2 -0.032 3.892 3.960 -0.060 0.000 0.206 132 G HA3 -0.032 3.897 3.960 -0.051 0.000 0.206 132 G C -1.644 173.217 174.900 -0.064 0.000 0.794 132 G CA 0.348 45.410 45.100 -0.062 0.000 0.751 132 G HN -0.182 7.998 8.290 -0.083 0.059 0.334 133 D N -0.417 119.927 120.400 -0.093 0.000 2.570 133 D HA 0.158 4.771 4.640 -0.046 0.000 0.244 133 D C -1.329 174.897 176.300 -0.123 0.000 1.178 133 D CA -0.744 53.209 54.000 -0.078 0.000 0.881 133 D CB 3.030 43.794 40.800 -0.059 0.000 1.453 133 D HN -0.329 7.964 8.370 -0.129 0.000 0.447 134 D N 0.051 120.434 120.400 -0.029 0.000 3.110 134 D HA 0.049 4.677 4.640 -0.019 0.000 0.254 134 D C -1.031 175.444 176.300 0.292 0.000 1.283 134 D CA -1.368 52.680 54.000 0.080 0.000 0.944 134 D CB -1.909 38.966 40.800 0.125 0.000 1.066 134 D HN 0.139 8.512 8.370 0.005 0.000 0.496 135 F N -4.726 115.240 119.950 0.026 0.000 2.204 135 F HA -0.459 4.242 4.527 0.059 -0.139 0.406 135 F C 0.279 176.095 175.800 0.028 0.000 1.162 135 F CA -0.559 57.466 58.000 0.042 0.000 1.346 135 F CB -1.734 37.295 39.000 0.048 0.000 2.046 135 F HN -0.683 7.365 8.300 -0.280 0.084 0.756 136 V N 1.335 121.332 119.914 0.137 0.000 2.720 136 V HA -0.224 3.931 4.120 0.058 0.000 0.307 136 V C -1.178 174.958 176.094 0.070 0.000 1.071 136 V CA 0.770 63.112 62.300 0.070 0.000 1.199 136 V CB 1.498 33.328 31.823 0.013 0.000 0.900 136 V HN -0.362 7.886 8.190 0.097 0.000 0.494 137 Q N 8.134 127.949 119.800 0.026 0.000 2.303 137 Q HA 0.180 4.706 4.340 0.013 -0.179 0.257 137 Q C -1.555 174.385 176.000 -0.100 0.000 0.941 137 Q CA -0.780 55.017 55.803 -0.010 0.000 0.931 137 Q CB 1.424 30.167 28.738 0.008 0.000 1.215 137 Q HN 0.227 8.509 8.270 0.021 0.000 0.437 138 L N 6.892 128.023 121.223 -0.152 0.000 2.275 138 L HA 0.562 4.728 4.340 -0.289 0.000 0.288 138 L C -2.058 174.536 176.870 -0.461 0.000 1.046 138 L CA -3.673 50.992 54.840 -0.292 0.000 0.805 138 L CB 1.577 43.453 42.059 -0.306 0.000 1.193 138 L HN 0.705 8.771 8.230 -0.093 0.109 0.426 139 P HA 0.156 3.992 4.420 -0.973 0.000 0.282 139 P C -1.825 174.982 177.300 -0.822 0.000 1.262 139 P CA -0.643 61.794 63.100 -1.105 0.000 0.773 139 P CB 0.622 31.033 31.700 -2.148 0.000 0.879 140 I N 3.013 123.113 120.570 -0.782 0.000 2.466 140 I HA 0.543 4.380 4.170 -0.555 0.000 0.289 140 I C -2.382 173.448 176.117 -0.478 0.000 1.026 140 I CA -4.592 56.226 61.300 -0.804 0.000 1.078 140 I CB 2.732 39.752 38.000 -1.633 0.000 1.249 140 I HN 0.005 7.785 8.210 -0.717 0.000 0.429 141 P HA 0.191 4.682 4.420 0.117 0.000 0.277 141 P C 0.248 177.672 177.300 0.207 0.000 1.276 141 P CA -1.279 61.868 63.100 0.079 0.000 0.788 141 P CB 1.503 33.277 31.700 0.124 0.000 1.114 142 K N -1.922 118.640 120.400 0.270 0.000 2.442 142 K HA -0.322 4.293 4.320 0.491 0.000 0.198 142 K C 0.207 177.059 176.600 0.420 0.000 1.044 142 K CA 1.375 57.888 56.287 0.378 0.000 0.948 142 K CB 0.059 32.732 32.500 0.288 0.000 0.762 142 K HN 0.255 8.635 8.250 0.217 0.000 0.472 143 L N -4.129 117.299 121.223 0.342 0.000 1.641 143 L HA -0.384 4.121 4.340 0.275 0.000 0.351 143 L C -1.135 175.866 176.870 0.218 0.000 1.082 143 L CA 0.841 55.858 54.840 0.296 0.000 1.226 143 L CB -0.540 41.729 42.059 0.351 0.000 0.561 143 L HN -0.455 7.884 8.230 0.290 0.066 0.249 144 T N -0.244 114.406 114.554 0.161 0.000 3.355 144 T HA 0.332 4.751 4.350 0.115 0.000 0.324 144 T C -1.825 172.919 174.700 0.073 0.000 0.932 144 T CA -2.398 59.769 62.100 0.111 0.000 1.032 144 T CB 0.669 69.598 68.868 0.101 0.000 1.027 144 T HN 0.112 8.442 8.240 0.150 0.000 0.456 145 P HA 0.375 4.835 4.420 0.067 0.000 0.273 145 P C -1.190 176.165 177.300 0.091 0.000 1.250 145 P CA -0.916 62.220 63.100 0.059 0.000 0.793 145 P CB -1.064 30.648 31.700 0.020 0.000 1.011 146 P HA -0.017 4.763 4.420 0.320 -0.168 0.219 146 P C -0.258 176.991 177.300 -0.085 0.000 1.150 146 P CA 1.870 65.033 63.100 0.106 0.000 0.814 146 P CB 0.490 32.215 31.700 0.042 0.000 0.787 147 D N -7.368 112.948 120.400 -0.141 0.000 2.363 147 D HA -0.098 4.582 4.640 -0.234 -0.180 0.226 147 D C 0.094 176.376 176.300 -0.029 0.000 1.020 147 D CA 0.072 53.986 54.000 -0.144 0.000 0.892 147 D CB -0.981 39.731 40.800 -0.148 0.000 0.900 147 D HN -0.075 8.233 8.370 -0.104 0.000 0.531 148 S N 0.741 116.464 115.700 0.038 0.000 2.564 148 S HA -0.054 4.427 4.470 0.018 0.000 0.278 148 S C -0.158 174.522 174.600 0.133 0.000 1.333 148 S CA 0.182 58.419 58.200 0.062 0.000 1.048 148 S CB 0.785 64.023 63.200 0.065 0.000 0.900 148 S HN -0.438 7.709 8.310 0.060 0.198 0.505 149 E N 3.779 124.039 120.200 0.099 0.000 2.392 149 E HA 0.133 4.784 4.350 0.257 -0.147 0.259 149 E C -0.992 175.794 176.600 0.309 0.000 1.108 149 E CA -0.470 56.044 56.400 0.191 0.000 0.916 149 E CB 0.972 30.657 29.700 -0.025 0.000 0.989 149 E HN 0.005 8.381 8.360 0.027 0.000 0.432 150 I N 2.245 123.089 120.570 0.457 0.000 2.447 150 I HA 0.260 4.580 4.170 0.250 0.000 0.287 150 I C -1.687 174.621 176.117 0.317 0.000 1.023 150 I CA -1.843 59.672 61.300 0.357 0.000 1.083 150 I CB 3.017 41.211 38.000 0.322 0.000 1.245 150 I HN 0.407 8.940 8.210 0.537 0.000 0.434 151 V N 6.122 126.108 119.914 0.119 0.000 2.585 151 V HA -0.015 3.722 4.120 -0.639 0.000 0.296 151 V C -1.355 174.708 176.094 -0.052 0.000 1.035 151 V CA 0.005 62.192 62.300 -0.189 0.000 1.084 151 V CB -0.452 31.278 31.823 -0.154 0.000 0.953 151 V HN 0.405 8.682 8.190 0.146 0.000 0.483 152 S N 5.816 121.464 115.700 -0.085 0.000 2.672 152 S HA 0.404 5.052 4.470 -0.026 -0.194 0.291 152 S C -1.735 172.883 174.600 0.030 0.000 1.145 152 S CA -0.963 57.220 58.200 -0.029 0.000 1.013 152 S CB 2.565 65.715 63.200 -0.084 0.000 1.017 152 S HN 0.020 8.219 8.310 -0.185 0.000 0.487 153 H N 7.441 126.468 119.070 -0.071 0.000 2.646 153 H HA 0.190 4.827 4.556 -0.045 -0.108 0.325 153 H C -2.216 173.081 175.328 -0.052 0.000 1.075 153 H CA 0.186 56.202 56.048 -0.054 0.000 1.421 153 H CB 2.018 31.747 29.762 -0.055 0.000 1.461 153 H HN 0.280 8.621 8.280 0.101 0.000 0.525 154 L N 8.323 129.326 121.223 -0.368 0.000 2.319 154 L HA 0.670 5.021 4.340 -0.233 -0.151 0.281 154 L C -2.179 174.441 176.870 -0.416 0.000 1.005 154 L CA -1.459 53.202 54.840 -0.299 0.000 0.828 154 L CB 3.288 45.261 42.059 -0.144 0.000 1.227 154 L HN 0.892 8.712 8.230 -0.503 0.107 0.415 155 T N 6.001 120.388 114.554 -0.278 0.000 2.833 155 T HA 0.660 5.119 4.350 -0.177 -0.215 0.297 155 T C -0.812 173.838 174.700 -0.082 0.000 1.015 155 T CA -2.109 59.896 62.100 -0.158 0.000 0.963 155 T CB 1.403 70.241 68.868 -0.049 0.000 0.955 155 T HN 0.953 9.066 8.240 -0.212 0.000 0.449 156 V N 6.739 126.610 119.914 -0.072 0.000 2.394 156 V HA 0.780 5.064 4.120 -0.081 -0.212 0.282 156 V C -1.231 174.867 176.094 0.006 0.000 1.031 156 V CA -0.992 61.263 62.300 -0.075 0.000 0.881 156 V CB 1.031 32.760 31.823 -0.158 0.000 0.982 156 V HN 0.871 8.902 8.190 -0.070 0.117 0.451 157 R N 6.189 126.698 120.500 0.015 0.000 2.740 157 R HA 0.601 5.088 4.340 0.018 -0.136 0.273 157 R C -1.685 174.613 176.300 -0.004 0.000 0.998 157 R CA -2.162 53.945 56.100 0.011 0.000 0.900 157 R CB 4.960 35.258 30.300 -0.003 0.000 1.223 157 R HN 1.044 9.310 8.270 -0.007 0.000 0.466 158 Q N 3.729 123.505 119.800 -0.040 0.000 2.364 158 Q HA 0.026 4.474 4.340 -0.058 -0.144 0.267 158 Q C 1.794 177.483 176.000 -0.518 0.000 0.999 158 Q CA 0.995 56.693 55.803 -0.175 0.000 0.886 158 Q CB 0.617 29.264 28.738 -0.151 0.000 1.243 158 Q HN -0.031 8.218 8.270 -0.035 0.000 0.415 159 T N -0.217 113.966 114.554 -0.618 0.000 2.962 159 T HA -0.237 3.788 4.350 -0.542 0.000 0.270 159 T C -0.134 174.016 174.700 -0.917 0.000 1.088 159 T CA 1.864 63.523 62.100 -0.735 0.000 1.127 159 T CB 0.399 68.837 68.868 -0.716 0.000 0.883 159 T HN 0.267 8.049 8.240 -0.574 0.114 0.493 160 H N -2.731 115.945 119.070 -0.657 0.000 2.943 160 H HA 0.261 4.459 4.556 -0.598 0.000 0.323 160 H C -0.905 174.198 175.328 -0.375 0.000 1.296 160 H CA -3.080 52.663 56.048 -0.509 0.000 1.155 160 H CB 0.234 29.851 29.762 -0.241 0.000 1.882 160 H HN -0.704 7.046 8.280 -0.825 0.036 0.553 161 T N -0.049 114.530 114.554 0.043 0.000 2.903 161 T HA -0.075 4.402 4.350 0.127 -0.051 0.299 161 T C -0.543 174.173 174.700 0.025 0.000 1.041 161 T CA -0.938 61.199 62.100 0.061 0.000 1.138 161 T CB 0.349 69.243 68.868 0.043 0.000 1.040 161 T HN 0.175 8.466 8.240 0.085 0.000 0.524 162 P HA -0.015 4.447 4.420 0.070 0.000 0.253 162 P C -1.461 175.911 177.300 0.120 0.000 1.260 162 P CA 0.004 63.141 63.100 0.062 0.000 0.800 162 P CB 0.091 31.816 31.700 0.041 0.000 1.162 163 Y N -3.064 117.207 120.300 -0.049 0.000 4.177 163 Y HA -0.537 4.006 4.550 -0.115 -0.062 0.227 163 Y C -1.874 173.893 175.900 -0.222 0.000 1.154 163 Y CA 0.674 58.701 58.100 -0.121 0.000 1.887 163 Y CB -2.450 35.943 38.460 -0.112 0.000 1.594 163 Y HN -0.308 7.813 8.280 0.007 0.164 0.668 164 D N -2.933 117.464 120.400 -0.005 0.000 2.339 164 D HA -0.064 4.518 4.640 -0.098 0.000 0.245 164 D C -0.741 175.503 176.300 -0.094 0.000 1.115 164 D CA 0.885 54.856 54.000 -0.048 0.000 0.917 164 D CB 2.483 43.310 40.800 0.045 0.000 1.192 164 D HN -0.057 8.298 8.370 0.021 0.029 0.428 165 Y N -0.802 119.540 120.300 0.071 0.000 2.402 165 Y HA -0.092 4.482 4.550 0.040 0.000 0.333 165 Y C 0.227 176.129 175.900 0.004 0.000 1.076 165 Y CA 1.150 59.271 58.100 0.035 0.000 1.299 165 Y CB 0.033 38.505 38.460 0.020 0.000 1.197 165 Y HN 0.285 8.652 8.280 0.146 0.000 0.517 166 V N 1.258 121.236 119.914 0.107 0.000 2.922 166 V HA -0.004 4.118 4.120 0.004 0.000 0.242 166 V C -0.856 175.207 176.094 -0.051 0.000 1.094 166 V CA 0.743 63.033 62.300 -0.016 0.000 1.106 166 V CB 1.016 32.738 31.823 -0.168 0.000 0.799 166 V HN 0.748 8.897 8.190 0.108 0.106 0.474 167 V N -1.821 118.067 119.914 -0.044 0.000 2.808 167 V HA 0.178 4.246 4.120 -0.087 0.000 0.308 167 V C -1.951 174.092 176.094 -0.084 0.000 1.099 167 V CA -0.685 61.563 62.300 -0.086 0.000 0.920 167 V CB 3.577 35.322 31.823 -0.130 0.000 1.014 167 V HN -0.322 7.866 8.190 -0.003 0.000 0.425 168 N N 5.341 123.973 118.700 -0.115 0.000 2.751 168 N HA 0.301 5.016 4.740 -0.234 -0.116 0.234 168 N C -1.311 174.123 175.510 -0.127 0.000 1.403 168 N CA -0.373 52.587 53.050 -0.150 0.000 0.747 168 N CB 0.604 39.017 38.487 -0.124 0.000 1.326 168 N HN 0.374 8.690 8.380 -0.107 0.000 0.532 169 G N 0.594 109.265 108.800 -0.216 0.000 2.870 169 G HA2 0.613 4.579 3.960 0.010 0.000 0.299 169 G HA3 0.613 4.524 3.960 -0.082 0.000 0.299 169 G C -2.759 172.085 174.900 -0.093 0.000 1.324 169 G CA -0.094 44.951 45.100 -0.091 0.000 0.808 169 G HN 0.131 8.214 8.290 -0.345 0.000 0.535 170 S N -1.903 113.824 115.700 0.044 0.000 2.632 170 S HA 0.909 5.515 4.470 0.041 -0.111 0.289 170 S C -1.990 172.690 174.600 0.134 0.000 1.115 170 S CA -1.174 57.071 58.200 0.076 0.000 0.889 170 S CB 3.913 67.163 63.200 0.083 0.000 1.116 170 S HN 0.384 8.732 8.310 0.064 0.000 0.486 171 V N -0.980 119.017 119.914 0.138 0.000 2.971 171 V HA 0.273 4.570 4.120 0.294 0.000 0.309 171 V C -3.243 172.992 176.094 0.235 0.000 1.130 171 V CA -1.955 60.508 62.300 0.272 0.000 0.964 171 V CB 4.076 36.165 31.823 0.444 0.000 1.029 171 V HN 0.678 8.915 8.190 0.078 0.000 0.427 172 Y N 4.586 125.040 120.300 0.258 0.000 2.341 172 Y HA 0.514 5.444 4.550 0.306 -0.197 0.337 172 Y C -0.569 175.530 175.900 0.331 0.000 1.014 172 Y CA -1.497 56.761 58.100 0.264 0.000 1.111 172 Y CB 2.039 40.578 38.460 0.132 0.000 1.194 172 Y HN 0.052 8.548 8.280 0.360 0.000 0.462 173 F N 3.187 123.348 119.950 0.351 0.000 2.507 173 F HA 0.606 5.446 4.527 0.327 -0.117 0.327 173 F C -1.244 174.801 175.800 0.409 0.000 1.068 173 F CA -1.659 56.564 58.000 0.372 0.000 0.965 173 F CB 4.075 43.313 39.000 0.396 0.000 1.192 173 F HN 0.279 9.028 8.300 0.748 0.000 0.476 174 K N -0.101 120.628 120.400 0.547 0.000 2.578 174 K HA 0.332 4.986 4.320 0.557 0.000 0.269 174 K C -2.926 173.828 176.600 0.257 0.000 0.941 174 K CA -0.535 56.002 56.287 0.416 0.000 0.847 174 K CB 4.540 37.156 32.500 0.193 0.000 1.397 174 K HN 0.382 8.932 8.250 0.499 0.000 0.422 175 Y N 2.084 122.272 120.300 -0.187 0.000 2.524 175 Y HA 0.784 5.213 4.550 -0.394 -0.115 0.344 175 Y C -1.875 173.853 175.900 -0.287 0.000 1.012 175 Y CA -3.069 54.733 58.100 -0.497 0.000 1.068 175 Y CB 2.407 40.091 38.460 -1.293 0.000 1.249 175 Y HN 0.344 8.852 8.280 0.379 0.000 0.468 176 S N 2.057 117.533 115.700 -0.373 0.000 2.411 176 S HA 0.365 4.593 4.470 -0.403 0.000 0.294 176 S C -1.093 173.208 174.600 -0.498 0.000 1.115 176 S CA -1.860 56.102 58.200 -0.397 0.000 1.071 176 S CB 0.497 63.562 63.200 -0.223 0.000 0.967 176 S HN 0.754 8.815 8.310 -0.232 0.110 0.488 177 P HA 0.104 4.300 4.420 -0.373 0.000 0.228 177 P C -1.396 175.799 177.300 -0.174 0.000 1.748 177 P CA 0.318 63.147 63.100 -0.452 0.000 0.909 177 P CB -1.423 29.986 31.700 -0.485 0.000 1.882 178 T N -0.314 114.133 114.554 -0.178 0.000 3.177 178 T HA 0.113 4.403 4.350 -0.101 0.000 0.262 178 T C 0.376 174.828 174.700 -0.413 0.000 0.959 178 T CA 0.847 62.836 62.100 -0.184 0.000 0.996 178 T CB 1.975 70.734 68.868 -0.181 0.000 1.185 178 T HN 0.218 8.223 8.240 -0.216 0.106 0.486 179 T N 2.159 116.426 114.554 -0.479 0.000 3.714 179 T HA 0.266 3.298 4.350 -2.197 0.000 0.309 179 T C -0.676 174.019 174.700 -0.009 0.000 0.958 179 T CA -0.296 61.253 62.100 -0.919 0.000 1.010 179 T CB 0.172 68.525 68.868 -0.858 0.000 1.202 179 T HN -0.553 7.523 8.240 -0.273 0.000 0.476 180 G N 1.644 110.549 108.800 0.175 0.000 2.341 180 G HA2 -0.530 3.499 3.960 0.115 0.000 0.292 180 G HA3 -0.530 3.500 3.960 0.117 0.000 0.292 180 G C -0.980 173.870 174.900 -0.084 0.000 1.021 180 G CA 0.851 46.027 45.100 0.127 0.000 0.905 180 G HN 0.261 8.598 8.290 0.079 0.000 0.508 181 Q N -0.619 119.137 119.800 -0.074 0.000 2.296 181 Q HA -0.110 4.325 4.340 -0.094 -0.152 0.263 181 Q C -0.653 175.256 176.000 -0.152 0.000 1.026 181 Q CA 0.227 55.966 55.803 -0.106 0.000 0.912 181 Q CB 0.797 29.476 28.738 -0.098 0.000 1.198 181 Q HN -0.731 7.478 8.270 -0.081 0.012 0.407 182 V N 7.286 127.099 119.914 -0.167 0.000 2.472 182 V HA 0.257 4.264 4.120 -0.188 0.000 0.290 182 V C -0.347 175.782 176.094 0.058 0.000 1.037 182 V CA -0.751 61.472 62.300 -0.130 0.000 0.908 182 V CB 1.439 33.155 31.823 -0.179 0.000 0.985 182 V HN 0.664 9.134 8.190 -0.174 -0.385 0.454 183 T N 6.952 121.613 114.554 0.178 0.000 2.883 183 T HA 0.379 5.001 4.350 0.201 -0.152 0.301 183 T C -2.007 172.729 174.700 0.060 0.000 1.158 183 T CA -1.012 61.179 62.100 0.152 0.000 1.007 183 T CB 3.277 72.153 68.868 0.013 0.000 1.186 183 T HN 0.627 8.959 8.240 0.154 0.000 0.499 184 V N -0.457 119.308 119.914 -0.248 0.000 2.531 184 V HA 0.640 4.660 4.120 -0.371 -0.123 0.301 184 V C -2.279 173.630 176.094 -0.309 0.000 1.034 184 V CA -2.073 59.932 62.300 -0.492 0.000 0.865 184 V CB 1.263 32.426 31.823 -1.099 0.000 0.995 184 V HN 0.432 8.485 8.190 -0.229 0.000 0.424 185 I N 6.699 127.174 120.570 -0.157 0.000 2.336 185 I HA 0.188 4.253 4.170 -0.175 0.000 0.292 185 I C -1.386 174.674 176.117 -0.095 0.000 0.991 185 I CA -0.640 60.592 61.300 -0.113 0.000 1.227 185 I CB 1.371 39.334 38.000 -0.061 0.000 1.366 185 I HN 0.783 8.845 8.210 -0.067 0.108 0.466 186 K N 5.836 126.093 120.400 -0.238 0.000 2.565 186 K HA 0.250 4.465 4.320 -0.176 0.000 0.249 186 K C -1.298 175.118 176.600 -0.306 0.000 0.958 186 K CA -0.629 55.407 56.287 -0.419 0.000 0.806 186 K CB 2.397 34.228 32.500 -1.116 0.000 1.194 186 K HN 0.248 8.344 8.250 -0.256 0.000 0.434 187 K N 3.593 123.964 120.400 -0.048 0.000 2.546 187 K HA 0.273 4.586 4.320 -0.012 0.000 0.264 187 K C -0.848 175.855 176.600 0.170 0.000 0.937 187 K CA -0.965 55.347 56.287 0.042 0.000 0.833 187 K CB 3.432 35.955 32.500 0.038 0.000 1.378 187 K HN 0.492 8.799 8.250 0.096 0.000 0.432 188 D N 2.204 122.692 120.400 0.147 0.000 2.311 188 D HA -0.253 4.509 4.640 0.203 0.000 0.212 188 D C 0.446 176.820 176.300 0.123 0.000 0.972 188 D CA 2.627 56.718 54.000 0.151 0.000 0.887 188 D CB 0.143 41.002 40.800 0.100 0.000 0.915 188 D HN 0.436 8.866 8.370 0.099 0.000 0.497 189 E N -3.375 116.896 120.200 0.119 0.000 2.209 189 E HA -0.185 4.218 4.350 0.088 0.000 0.196 189 E C 0.593 177.271 176.600 0.130 0.000 0.993 189 E CA 1.468 57.937 56.400 0.114 0.000 0.819 189 E CB 0.380 30.153 29.700 0.121 0.000 0.745 189 E HN 0.081 8.452 8.360 0.115 0.058 0.477 190 T N -8.336 106.319 114.554 0.168 0.000 3.417 190 T HA 0.112 4.530 4.350 0.113 0.000 0.279 190 T C -0.381 174.434 174.700 0.191 0.000 0.918 190 T CA 0.179 62.373 62.100 0.157 0.000 1.005 190 T CB 1.978 70.936 68.868 0.151 0.000 1.212 190 T HN -0.266 7.947 8.240 0.201 0.148 0.510 191 F N 7.453 127.439 119.950 0.060 0.000 2.572 191 F HA 0.391 5.098 4.527 0.052 -0.148 0.370 191 F C -1.387 174.430 175.800 0.029 0.000 1.103 191 F CA -0.658 57.369 58.000 0.046 0.000 1.286 191 F CB 0.795 39.818 39.000 0.038 0.000 1.105 191 F HN -0.092 8.430 8.300 0.370 0.000 0.583 192 P HA 0.134 4.428 4.420 -0.211 0.000 0.297 192 P C -1.489 175.462 177.300 -0.582 0.000 1.303 192 P CA -0.670 62.180 63.100 -0.416 0.000 0.753 192 P CB 1.370 32.875 31.700 -0.325 0.000 1.281 193 K N -4.264 115.941 120.400 -0.325 0.000 2.826 193 K HA 0.136 4.328 4.320 -0.213 0.000 0.206 193 K C -1.197 175.316 176.600 -0.145 0.000 1.116 193 K CA 0.146 56.314 56.287 -0.198 0.000 1.045 193 K CB -0.167 32.279 32.500 -0.090 0.000 0.758 193 K HN 0.081 8.187 8.250 -0.241 0.000 0.465 194 N N -1.254 117.335 118.700 -0.184 0.000 2.072 194 N HA 0.016 4.706 4.740 -0.083 0.000 0.246 194 N C -1.902 173.541 175.510 -0.112 0.000 1.215 194 N CA 0.098 53.076 53.050 -0.121 0.000 0.799 194 N CB 0.747 39.167 38.487 -0.113 0.000 1.407 194 N HN -0.055 8.152 8.380 -0.287 0.000 0.489 195 M N 0.868 120.380 119.600 -0.147 0.000 2.464 195 M HA 0.567 5.199 4.480 -0.028 -0.169 0.308 195 M C -1.643 174.625 176.300 -0.052 0.000 1.127 195 M CA -0.686 54.576 55.300 -0.063 0.000 0.913 195 M CB 3.234 35.820 32.600 -0.023 0.000 1.689 195 M HN -0.657 7.495 8.290 -0.230 0.000 0.445 196 T N 1.093 115.686 114.554 0.064 0.000 2.916 196 T HA 0.404 4.971 4.350 0.362 0.000 0.292 196 T C -2.455 172.236 174.700 -0.016 0.000 1.055 196 T CA -1.817 60.376 62.100 0.155 0.000 1.009 196 T CB 3.276 72.238 68.868 0.156 0.000 1.118 196 T HN 0.361 8.639 8.240 0.063 0.000 0.497 197 V N 2.830 122.623 119.914 -0.202 0.000 2.588 197 V HA 0.663 4.673 4.120 -0.491 -0.184 0.304 197 V C -1.885 173.974 176.094 -0.391 0.000 1.042 197 V CA -1.713 60.231 62.300 -0.594 0.000 0.877 197 V CB 3.212 34.110 31.823 -1.543 0.000 0.996 197 V HN 0.291 8.447 8.190 -0.056 0.000 0.425 198 T N 7.672 122.078 114.554 -0.247 0.000 2.885 198 T HA 0.427 4.675 4.350 -0.171 0.000 0.285 198 T C -1.908 172.776 174.700 -0.027 0.000 1.019 198 T CA -2.627 59.395 62.100 -0.131 0.000 1.010 198 T CB 2.032 70.867 68.868 -0.054 0.000 1.022 198 T HN 0.365 8.482 8.240 -0.205 0.000 0.466 199 Q N 6.921 126.734 119.800 0.023 0.000 2.678 199 Q HA 0.003 4.599 4.340 0.428 0.000 0.222 199 Q C -0.580 175.471 176.000 0.085 0.000 1.281 199 Q CA -0.154 55.756 55.803 0.178 0.000 0.994 199 Q CB -0.164 28.681 28.738 0.178 0.000 1.452 199 Q HN 0.433 8.683 8.270 -0.035 0.000 0.570 200 D N 4.902 125.355 120.400 0.088 0.000 2.218 200 D HA -0.225 4.433 4.640 0.030 0.000 0.204 200 D C 0.030 176.310 176.300 -0.034 0.000 0.976 200 D CA 2.585 56.604 54.000 0.032 0.000 0.853 200 D CB 0.595 41.434 40.800 0.065 0.000 0.939 200 D HN 0.053 8.485 8.370 0.154 0.030 0.481 201 D N -5.859 114.498 120.400 -0.072 0.000 2.665 201 D HA 0.123 4.707 4.640 -0.093 0.000 0.287 201 D C -1.754 174.455 176.300 -0.151 0.000 1.266 201 D CA -0.809 53.120 54.000 -0.118 0.000 0.830 201 D CB 2.855 43.557 40.800 -0.163 0.000 1.356 201 D HN -0.346 7.975 8.370 -0.054 0.016 0.437 202 N N 0.265 118.873 118.700 -0.154 0.000 2.454 202 N HA -0.170 4.459 4.740 -0.184 0.000 0.254 202 N C 0.970 176.297 175.510 -0.304 0.000 1.228 202 N CA 1.773 54.703 53.050 -0.201 0.000 0.900 202 N CB 0.107 38.502 38.487 -0.153 0.000 1.089 202 N HN 0.321 8.621 8.380 -0.135 0.000 0.449 203 T N -2.509 111.814 114.554 -0.386 0.000 6.478 203 T HA -0.511 3.569 4.350 -0.450 0.000 0.314 203 T C -0.505 173.906 174.700 -0.482 0.000 1.477 203 T CA 1.705 63.557 62.100 -0.413 0.000 2.503 203 T CB -0.914 67.780 68.868 -0.290 0.000 2.322 203 T HN 0.498 8.523 8.240 -0.359 0.000 1.095 204 S N 0.468 115.842 115.700 -0.542 0.000 2.774 204 S HA 0.520 4.923 4.470 -0.318 -0.123 0.297 204 S C -2.186 172.289 174.600 -0.209 0.000 1.143 204 S CA -1.215 56.754 58.200 -0.385 0.000 1.090 204 S CB 1.119 64.092 63.200 -0.380 0.000 1.019 204 S HN -0.713 7.215 8.310 -0.512 0.075 0.482 205 F N 6.241 126.241 119.950 0.084 0.000 2.458 205 F HA 0.648 5.309 4.527 -0.005 -0.136 0.330 205 F C -0.674 175.272 175.800 0.243 0.000 1.082 205 F CA -2.818 55.241 58.000 0.097 0.000 0.995 205 F CB 3.389 42.458 39.000 0.115 0.000 1.170 205 F HN 0.896 9.232 8.300 0.061 0.000 0.478 206 I N 1.166 121.944 120.570 0.347 0.000 2.468 206 I HA 0.360 4.974 4.170 0.484 -0.153 0.285 206 I C -2.328 173.896 176.117 0.178 0.000 1.039 206 I CA -1.219 60.285 61.300 0.340 0.000 1.074 206 I CB 3.412 41.603 38.000 0.318 0.000 1.228 206 I HN 0.456 8.791 8.210 0.209 0.000 0.436 207 F N 8.684 128.716 119.950 0.137 0.000 2.411 207 F HA 0.470 5.222 4.527 0.077 -0.179 0.350 207 F C -1.182 174.644 175.800 0.044 0.000 1.114 207 F CA -1.335 56.714 58.000 0.081 0.000 1.135 207 F CB 1.387 40.430 39.000 0.071 0.000 1.120 207 F HN 1.096 9.757 8.300 0.603 0.000 0.495 208 N N 2.786 121.582 118.700 0.159 0.000 2.424 208 N HA 0.393 5.346 4.740 0.094 -0.156 0.271 208 N C -1.520 174.025 175.510 0.058 0.000 0.985 208 N CA -0.740 52.366 53.050 0.092 0.000 0.921 208 N CB 1.950 40.473 38.487 0.059 0.000 1.149 208 N HN 0.818 9.265 8.380 0.112 0.000 0.492 209 L N 4.416 125.652 121.223 0.021 0.000 2.297 209 L HA 0.319 4.631 4.340 -0.048 0.000 0.277 209 L C -1.012 175.842 176.870 -0.026 0.000 1.040 209 L CA -0.855 53.956 54.840 -0.047 0.000 0.867 209 L CB 0.403 42.358 42.059 -0.172 0.000 1.244 209 L HN 0.279 8.530 8.230 0.035 0.000 0.433 210 N N 4.666 123.355 118.700 -0.018 0.000 2.395 210 N HA -0.046 4.893 4.740 0.013 -0.191 0.175 210 N C 0.240 175.745 175.510 -0.009 0.000 1.029 210 N CA 1.953 55.001 53.050 -0.002 0.000 0.897 210 N CB 1.071 39.559 38.487 0.002 0.000 0.991 210 N HN -0.084 8.282 8.380 -0.024 0.000 0.441 211 S N -0.753 114.927 115.700 -0.033 0.000 2.713 211 S HA 0.018 4.481 4.470 -0.011 0.000 0.277 211 S C -1.583 172.999 174.600 -0.030 0.000 1.168 211 S CA -0.960 57.221 58.200 -0.031 0.000 0.994 211 S CB 1.281 64.451 63.200 -0.048 0.000 1.054 211 S HN -0.676 7.603 8.310 -0.052 0.000 0.555 212 E N 0.557 120.754 120.200 -0.004 0.000 3.990 212 E HA 0.079 4.445 4.350 0.026 0.000 0.246 212 E C -0.564 176.057 176.600 0.037 0.000 1.179 212 E CA -0.678 55.744 56.400 0.037 0.000 1.287 212 E CB 0.171 29.921 29.700 0.083 0.000 1.241 212 E HN 0.250 8.607 8.360 -0.004 0.000 0.406 213 K N 0.000 120.406 120.400 0.010 0.000 2.780 213 K HA 0.000 4.337 4.320 0.028 0.000 0.191 213 K CA 0.000 56.303 56.287 0.027 0.000 0.838 213 K CB 0.000 32.508 32.500 0.013 0.000 1.064 213 K HN 0.000 8.236 8.250 -0.024 0.000 0.543