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 2qz0_1_A DATA FIRST_RESID 3 DATA SEQUENCE KGEELFTGVV PILVELDGDV NGHKFSVSGE GEGDATYGKL TLKFICTTGK DATA SEQUENCE LPVPWPTLVT TLXXXVQCFS RYPDHMKQHD FFKSAMPEGY VQERTISFKD DATA SEQUENCE DGNYKTRAEV KFEGDTLVNR IELKGIDFKE DGNILGHKLE YNYNSHNVYI DATA SEQUENCE TADKQKNGIK ANFKIRHNIE DGSVQLADHY EQNTPIGDGP VLLPDNHYLS DATA SEQUENCE TQSALSKDPN EKRDHMVLLE FVTAAGI 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 3 K HA 0.000 4.301 4.320 -0.031 0.000 0.191 3 K C 0.000 176.593 176.600 -0.011 0.000 0.988 3 K CA 0.000 56.271 56.287 -0.027 0.000 0.838 3 K CB 0.000 32.477 32.500 -0.039 0.000 1.064 4 G N -0.556 108.244 108.800 0.000 0.000 2.443 4 G HA2 -0.234 3.754 3.960 0.047 0.000 0.219 4 G HA3 -0.234 3.984 3.960 0.080 -0.211 0.219 4 G C 0.819 175.815 174.900 0.160 0.000 1.131 4 G CA 1.735 46.875 45.100 0.067 0.000 0.775 4 G HN 0.622 8.900 8.290 -0.020 0.000 0.547 5 E N 0.981 121.235 120.200 0.090 0.000 2.209 5 E HA -0.349 4.122 4.350 0.200 0.000 0.196 5 E C 1.956 178.655 176.600 0.164 0.000 0.993 5 E CA 2.448 58.926 56.400 0.129 0.000 0.819 5 E CB -0.900 28.804 29.700 0.006 0.000 0.745 5 E HN 0.629 8.982 8.360 0.025 0.022 0.477 6 E N -0.733 119.510 120.200 0.072 0.000 2.265 6 E HA -0.225 4.143 4.350 0.030 0.000 0.196 6 E C 2.345 178.936 176.600 -0.016 0.000 0.996 6 E CA 1.890 58.303 56.400 0.021 0.000 0.832 6 E CB -0.406 29.281 29.700 -0.021 0.000 0.756 6 E HN -0.589 7.758 8.360 0.047 0.041 0.491 7 L N -2.341 118.850 121.223 -0.053 0.000 2.552 7 L HA -0.130 4.018 4.340 -0.321 0.000 0.227 7 L C 0.514 177.137 176.870 -0.411 0.000 1.146 7 L CA 1.012 55.656 54.840 -0.327 0.000 0.858 7 L CB 0.154 41.860 42.059 -0.589 0.000 0.969 7 L HN -0.677 7.527 8.230 0.032 0.045 0.451 8 F N -4.811 115.162 119.950 0.038 0.000 2.698 8 F HA 0.315 4.932 4.527 0.151 0.000 0.304 8 F C 0.355 176.201 175.800 0.076 0.000 1.108 8 F CA -1.023 57.029 58.000 0.085 0.000 1.263 8 F CB 0.834 39.852 39.000 0.029 0.000 1.013 8 F HN -0.648 7.694 8.300 0.208 0.083 0.532 9 T N -2.625 112.017 114.554 0.146 0.000 3.055 9 T HA -0.040 4.369 4.350 0.099 0.000 0.265 9 T C 0.581 175.338 174.700 0.094 0.000 1.111 9 T CA 1.026 63.184 62.100 0.097 0.000 1.118 9 T CB 0.483 69.382 68.868 0.050 0.000 0.909 9 T HN -0.611 7.685 8.240 0.093 0.000 0.501 10 G N 1.124 109.990 108.800 0.110 0.000 3.211 10 G HA2 0.241 4.270 3.960 0.116 0.000 0.262 10 G HA3 0.241 4.252 3.960 0.086 0.000 0.262 10 G C -2.074 172.922 174.900 0.159 0.000 1.352 10 G CA -1.576 43.592 45.100 0.114 0.000 1.004 10 G HN -0.865 7.442 8.290 0.105 0.046 0.559 11 V N 0.434 120.428 119.914 0.132 0.000 2.572 11 V HA 0.071 4.461 4.120 0.148 -0.182 0.291 11 V C -0.216 175.950 176.094 0.121 0.000 1.039 11 V CA 0.691 63.064 62.300 0.123 0.000 1.055 11 V CB 0.561 32.429 31.823 0.075 0.000 0.969 11 V HN 0.112 8.369 8.190 0.111 0.000 0.482 12 V N 7.209 127.216 119.914 0.155 0.000 2.487 12 V HA 0.546 4.756 4.120 0.151 0.000 0.298 12 V C -2.072 174.073 176.094 0.086 0.000 1.028 12 V CA -3.723 58.690 62.300 0.189 0.000 0.860 12 V CB 3.045 35.115 31.823 0.412 0.000 0.991 12 V HN 0.444 8.722 8.190 0.146 0.000 0.427 13 P HA 0.231 4.760 4.420 -0.036 -0.131 0.271 13 P C -1.345 175.961 177.300 0.009 0.000 1.218 13 P CA -0.607 62.496 63.100 0.005 0.000 0.780 13 P CB 0.435 32.144 31.700 0.014 0.000 0.901 14 I N 0.160 120.700 120.570 -0.051 0.000 2.509 14 I HA 0.767 5.159 4.170 0.002 -0.221 0.293 14 I C -0.916 175.174 176.117 -0.045 0.000 1.020 14 I CA -1.346 59.930 61.300 -0.040 0.000 1.088 14 I CB 4.062 42.004 38.000 -0.098 0.000 1.267 14 I HN 0.075 8.237 8.210 -0.080 0.000 0.430 15 L N 4.843 126.057 121.223 -0.015 0.000 2.365 15 L HA 0.697 5.193 4.340 -0.023 -0.169 0.273 15 L C -1.391 175.500 176.870 0.035 0.000 1.000 15 L CA -1.379 53.459 54.840 -0.004 0.000 0.819 15 L CB 3.225 45.285 42.059 0.002 0.000 1.284 15 L HN 0.242 8.469 8.230 -0.006 0.000 0.418 16 V N 1.862 121.821 119.914 0.075 0.000 2.588 16 V HA 0.636 5.023 4.120 0.120 -0.196 0.304 16 V C -1.241 174.944 176.094 0.152 0.000 1.042 16 V CA -1.504 60.888 62.300 0.153 0.000 0.877 16 V CB 3.047 35.067 31.823 0.329 0.000 0.996 16 V HN 0.478 8.702 8.190 0.056 0.000 0.425 17 E N 6.784 127.051 120.200 0.111 0.000 2.241 17 E HA 0.741 5.314 4.350 0.113 -0.155 0.263 17 E C -2.362 174.277 176.600 0.066 0.000 0.882 17 E CA -1.903 54.550 56.400 0.089 0.000 0.769 17 E CB 3.622 33.353 29.700 0.052 0.000 1.185 17 E HN 0.453 8.870 8.360 0.094 0.000 0.415 18 L N 5.975 127.235 121.223 0.061 0.000 2.385 18 L HA 0.778 5.314 4.340 -0.013 -0.204 0.273 18 L C -2.372 174.450 176.870 -0.080 0.000 0.990 18 L CA -1.812 53.028 54.840 -0.000 0.000 0.821 18 L CB 4.136 46.213 42.059 0.030 0.000 1.279 18 L HN 0.579 8.862 8.230 0.088 0.000 0.412 19 D N 6.869 127.181 120.400 -0.146 0.000 2.308 19 D HA 0.525 5.117 4.640 -0.273 -0.116 0.242 19 D C -1.249 174.803 176.300 -0.413 0.000 1.059 19 D CA -1.208 52.643 54.000 -0.248 0.000 0.830 19 D CB 3.599 44.307 40.800 -0.152 0.000 1.161 19 D HN 0.236 8.537 8.370 -0.115 0.000 0.494 20 G N 2.086 110.406 108.800 -0.801 0.000 2.519 20 G HA2 0.491 4.271 3.960 -0.651 0.000 0.307 20 G HA3 0.491 3.318 3.960 -1.890 0.000 0.307 20 G C -2.831 171.609 174.900 -0.767 0.000 1.266 20 G CA -1.095 43.356 45.100 -1.083 0.000 0.970 20 G HN 0.494 8.275 8.290 -0.849 0.000 0.481 21 D N 1.711 121.904 120.400 -0.346 0.000 2.602 21 D HA 0.565 5.417 4.640 -0.013 -0.220 0.245 21 D C -1.737 174.607 176.300 0.073 0.000 1.325 21 D CA -0.781 53.178 54.000 -0.068 0.000 0.952 21 D CB 3.159 43.926 40.800 -0.055 0.000 1.317 21 D HN -0.079 8.109 8.370 -0.303 0.000 0.577 22 V N 5.947 125.986 119.914 0.209 0.000 2.350 22 V HA 0.277 4.696 4.120 0.207 -0.175 0.285 22 V C -0.618 175.605 176.094 0.215 0.000 1.014 22 V CA -1.117 61.301 62.300 0.197 0.000 0.831 22 V CB 1.764 33.636 31.823 0.082 0.000 1.000 22 V HN 0.151 8.515 8.190 0.290 0.000 0.433 23 N N 9.049 127.871 118.700 0.203 0.000 2.725 23 N HA -0.366 4.447 4.740 0.122 0.000 0.249 23 N C -0.100 175.384 175.510 -0.042 0.000 1.103 23 N CA 1.520 54.648 53.050 0.129 0.000 0.707 23 N CB -1.471 37.131 38.487 0.192 0.000 1.043 23 N HN 0.846 9.365 8.380 0.231 0.000 0.553 24 G N -5.928 102.857 108.800 -0.025 0.000 2.179 24 G HA2 -0.508 3.477 3.960 -0.045 0.000 0.260 24 G HA3 -0.508 3.366 3.960 -0.144 0.000 0.260 24 G C -0.374 174.448 174.900 -0.131 0.000 0.977 24 G CA 0.293 45.334 45.100 -0.097 0.000 0.641 24 G HN -0.021 8.501 8.290 0.037 -0.209 0.533 25 H N 2.439 121.546 119.070 0.061 0.000 2.864 25 H HA 0.042 4.634 4.556 0.060 0.000 0.281 25 H C -0.753 174.669 175.328 0.156 0.000 1.093 25 H CA -0.372 55.725 56.048 0.081 0.000 1.453 25 H CB -0.023 29.769 29.762 0.049 0.000 1.462 25 H HN -0.222 7.875 8.280 0.007 0.188 0.480 26 K N 5.658 126.181 120.400 0.204 0.000 2.172 26 K HA 0.545 5.081 4.320 0.037 -0.194 0.276 26 K C -0.734 175.993 176.600 0.211 0.000 1.013 26 K CA -0.275 56.079 56.287 0.111 0.000 0.913 26 K CB 1.258 33.772 32.500 0.022 0.000 1.055 26 K HN 0.339 8.687 8.250 0.163 0.000 0.461 27 F N -0.610 119.320 119.950 -0.033 0.000 2.686 27 F HA 0.392 4.902 4.527 -0.028 0.000 0.311 27 F C -2.597 173.178 175.800 -0.041 0.000 1.128 27 F CA -1.802 56.170 58.000 -0.046 0.000 0.946 27 F CB 2.902 41.847 39.000 -0.093 0.000 1.336 27 F HN 0.420 8.512 8.300 -0.346 0.000 0.457 28 S N -0.805 114.963 115.700 0.114 0.000 2.549 28 S HA 0.737 5.336 4.470 -0.072 -0.172 0.280 28 S C -1.581 173.128 174.600 0.181 0.000 1.109 28 S CA -0.769 57.458 58.200 0.046 0.000 0.905 28 S CB 3.502 66.717 63.200 0.024 0.000 1.081 28 S HN -0.055 8.381 8.310 0.209 0.000 0.477 29 V N 3.497 123.518 119.914 0.178 0.000 2.588 29 V HA 0.615 5.117 4.120 0.309 -0.197 0.304 29 V C -1.410 174.833 176.094 0.248 0.000 1.042 29 V CA -1.655 60.810 62.300 0.276 0.000 0.877 29 V CB 3.295 35.319 31.823 0.335 0.000 0.996 29 V HN 0.461 8.719 8.190 0.113 0.000 0.425 30 S N 5.843 121.705 115.700 0.270 0.000 2.502 30 S HA 0.800 5.562 4.470 0.195 -0.175 0.304 30 S C -1.028 173.713 174.600 0.235 0.000 1.097 30 S CA -1.081 57.244 58.200 0.209 0.000 1.045 30 S CB 2.878 66.153 63.200 0.125 0.000 1.019 30 S HN 0.413 8.898 8.310 0.292 0.000 0.481 31 G N 1.264 110.169 108.800 0.176 0.000 2.519 31 G HA2 0.701 4.738 3.960 -0.183 0.000 0.307 31 G HA3 0.701 4.511 3.960 -0.250 0.000 0.307 31 G C -2.656 172.143 174.900 -0.168 0.000 1.266 31 G CA -1.101 43.933 45.100 -0.109 0.000 0.970 31 G HN 0.795 9.196 8.290 0.185 0.000 0.481 32 E N 0.476 120.508 120.200 -0.280 0.000 2.340 32 E HA 0.977 5.413 4.350 -0.151 -0.177 0.273 32 E C -0.971 175.476 176.600 -0.256 0.000 0.891 32 E CA -1.751 54.531 56.400 -0.197 0.000 0.757 32 E CB 4.956 34.579 29.700 -0.127 0.000 1.231 32 E HN -0.156 7.976 8.360 -0.381 0.000 0.439 33 G N 0.571 109.252 108.800 -0.199 0.000 2.452 33 G HA2 0.296 4.154 3.960 -0.171 0.000 0.224 33 G HA3 0.296 4.317 3.960 -0.238 -0.203 0.224 33 G C -2.948 171.846 174.900 -0.176 0.000 1.208 33 G CA 0.997 45.979 45.100 -0.198 0.000 0.946 33 G HN -0.197 7.996 8.290 -0.161 0.000 0.481 34 E N -1.656 118.417 120.200 -0.212 0.000 2.430 34 E HA 0.789 5.138 4.350 -0.226 -0.135 0.279 34 E C -2.215 174.160 176.600 -0.375 0.000 1.003 34 E CA -1.755 54.507 56.400 -0.231 0.000 0.801 34 E CB 4.312 33.933 29.700 -0.132 0.000 1.313 34 E HN 0.165 8.391 8.360 -0.225 0.000 0.459 35 G N -2.112 106.361 108.800 -0.545 0.000 2.524 35 G HA2 0.450 4.251 3.960 -0.564 0.000 0.310 35 G HA3 0.450 3.353 3.960 -1.761 0.000 0.310 35 G C -3.027 171.768 174.900 -0.176 0.000 1.279 35 G CA -0.971 43.663 45.100 -0.777 0.000 0.974 35 G HN 0.199 8.226 8.290 -0.439 0.000 0.484 36 D N 1.825 122.260 120.400 0.059 0.000 2.346 36 D HA 0.501 5.327 4.640 0.310 0.000 0.255 36 D C -0.372 176.116 176.300 0.314 0.000 1.276 36 D CA -1.492 52.665 54.000 0.263 0.000 0.941 36 D CB 1.979 42.945 40.800 0.276 0.000 1.199 36 D HN 0.061 8.427 8.370 -0.007 0.000 0.537 37 A N 5.790 128.860 122.820 0.417 0.000 2.070 37 A HA -0.089 4.611 4.320 0.302 -0.198 0.220 37 A C 1.147 178.794 177.584 0.106 0.000 1.159 37 A CA 2.379 54.592 52.037 0.293 0.000 0.656 37 A CB -0.053 19.102 19.000 0.257 0.000 0.800 37 A HN 0.441 8.917 8.150 0.543 0.000 0.453 38 T N -0.594 113.946 114.554 -0.024 0.000 2.778 38 T HA -0.384 3.834 4.350 -0.220 0.000 0.269 38 T C 0.466 174.855 174.700 -0.518 0.000 1.050 38 T CA 4.066 65.955 62.100 -0.353 0.000 1.137 38 T CB 0.178 68.690 68.868 -0.594 0.000 0.860 38 T HN -0.457 7.903 8.240 0.047 -0.092 0.468 39 Y N -5.427 114.966 120.300 0.155 0.000 2.531 39 Y HA 0.062 4.700 4.550 0.147 0.000 0.249 39 Y C -0.232 175.810 175.900 0.237 0.000 1.168 39 Y CA -1.132 57.075 58.100 0.178 0.000 1.226 39 Y CB 0.820 39.400 38.460 0.200 0.000 1.177 39 Y HN -0.750 7.505 8.280 0.012 0.032 0.527 40 G N -0.022 108.936 108.800 0.262 0.000 2.283 40 G HA2 -0.491 3.830 3.960 0.195 0.000 0.280 40 G HA3 -0.491 3.760 3.960 0.220 -0.160 0.280 40 G C -0.963 174.051 174.900 0.189 0.000 1.029 40 G CA 0.871 46.108 45.100 0.229 0.000 0.840 40 G HN -0.573 7.697 8.290 0.195 0.137 0.505 41 K N 0.215 120.691 120.400 0.127 0.000 2.235 41 K HA 0.743 4.946 4.320 -0.481 -0.171 0.266 41 K C -1.830 174.634 176.600 -0.225 0.000 0.980 41 K CA -1.385 54.796 56.287 -0.176 0.000 0.849 41 K CB 2.958 35.432 32.500 -0.042 0.000 1.098 41 K HN -0.681 7.689 8.250 0.200 0.000 0.445 42 L N 6.319 127.336 121.223 -0.343 0.000 2.362 42 L HA 0.686 4.979 4.340 -0.326 -0.149 0.275 42 L C -1.224 175.476 176.870 -0.285 0.000 0.998 42 L CA -1.313 53.347 54.840 -0.299 0.000 0.820 42 L CB 3.190 45.120 42.059 -0.216 0.000 1.270 42 L HN 0.638 8.593 8.230 -0.459 0.000 0.415 43 T N 0.795 115.202 114.554 -0.246 0.000 2.906 43 T HA 0.706 5.114 4.350 -0.190 -0.172 0.302 43 T C -1.116 173.455 174.700 -0.215 0.000 1.002 43 T CA -1.331 60.648 62.100 -0.202 0.000 0.988 43 T CB 1.295 70.063 68.868 -0.166 0.000 0.972 43 T HN 0.463 8.547 8.240 -0.261 0.000 0.447 44 L N 5.394 126.481 121.223 -0.227 0.000 2.409 44 L HA 0.598 4.862 4.340 -0.377 -0.150 0.262 44 L C -2.581 174.041 176.870 -0.415 0.000 0.992 44 L CA -0.842 53.767 54.840 -0.386 0.000 0.817 44 L CB 4.920 46.676 42.059 -0.504 0.000 1.350 44 L HN 0.586 8.707 8.230 -0.181 0.000 0.411 45 K N 1.323 121.420 120.400 -0.504 0.000 2.376 45 K HA 0.661 4.998 4.320 -0.253 -0.168 0.257 45 K C -1.617 174.683 176.600 -0.500 0.000 0.939 45 K CA -1.439 54.632 56.287 -0.360 0.000 0.809 45 K CB 3.410 35.804 32.500 -0.176 0.000 1.121 45 K HN 0.235 8.183 8.250 -0.502 0.000 0.425 46 F N 5.074 124.989 119.950 -0.059 0.000 2.469 46 F HA 0.566 5.304 4.527 0.067 -0.171 0.332 46 F C -0.657 175.169 175.800 0.043 0.000 1.103 46 F CA -1.506 56.499 58.000 0.009 0.000 0.979 46 F CB 3.202 42.224 39.000 0.037 0.000 1.137 46 F HN 0.489 8.766 8.300 -0.037 0.000 0.463 47 I N 0.619 121.409 120.570 0.367 0.000 2.498 47 I HA 0.428 4.963 4.170 0.385 -0.134 0.290 47 I C -1.636 174.759 176.117 0.463 0.000 1.032 47 I CA -1.714 59.802 61.300 0.360 0.000 1.073 47 I CB 4.170 42.284 38.000 0.190 0.000 1.251 47 I HN 0.677 9.111 8.210 0.373 0.000 0.426 48 C N 8.072 127.684 119.300 0.519 0.000 2.442 48 C HA 0.407 5.222 4.460 0.317 -0.165 0.362 48 C C 1.965 177.085 174.990 0.216 0.000 1.242 48 C CA -1.331 57.885 59.018 0.330 0.000 1.741 48 C CB -1.145 26.727 27.740 0.220 0.000 2.378 48 C HN 0.332 8.929 8.230 0.613 0.000 0.549 49 T N 7.015 121.676 114.554 0.177 0.000 3.129 49 T HA 0.002 4.423 4.350 0.119 0.000 0.251 49 T C 0.679 175.437 174.700 0.097 0.000 1.117 49 T CA 1.705 63.879 62.100 0.123 0.000 1.034 49 T CB 0.008 68.938 68.868 0.103 0.000 0.968 49 T HN 0.444 8.798 8.240 0.188 0.000 0.526 50 T N -3.058 111.560 114.554 0.106 0.000 3.069 50 T HA 0.128 4.520 4.350 0.070 0.000 0.252 50 T C 0.367 175.110 174.700 0.071 0.000 1.053 50 T CA -0.722 61.429 62.100 0.085 0.000 0.964 50 T CB 0.808 69.738 68.868 0.103 0.000 1.005 50 T HN -0.412 7.843 8.240 0.127 0.061 0.532 51 G N 2.454 111.297 108.800 0.072 0.000 2.253 51 G HA2 -0.217 3.774 3.960 0.052 0.000 0.190 51 G HA3 -0.217 3.765 3.960 0.038 0.000 0.190 51 G C -2.003 172.919 174.900 0.037 0.000 1.274 51 G CA -0.623 44.507 45.100 0.050 0.000 1.275 51 G HN -0.729 7.558 8.290 0.089 0.056 0.518 52 K N 1.694 122.090 120.400 -0.006 0.000 2.298 52 K HA -0.124 4.309 4.320 -0.029 -0.131 0.280 52 K C 0.347 176.866 176.600 -0.136 0.000 1.032 52 K CA -0.023 56.230 56.287 -0.057 0.000 0.958 52 K CB 0.663 33.111 32.500 -0.086 0.000 0.978 52 K HN -0.110 8.136 8.250 -0.006 0.000 0.472 53 L N 7.325 128.410 121.223 -0.230 0.000 2.410 53 L HA 0.091 4.126 4.340 -0.508 0.000 0.273 53 L C -1.232 175.379 176.870 -0.432 0.000 1.144 53 L CA -1.921 52.625 54.840 -0.490 0.000 0.863 53 L CB 0.959 42.511 42.059 -0.845 0.000 1.140 53 L HN 0.257 8.763 8.230 -0.175 -0.381 0.463 54 P HA 0.137 4.406 4.420 -0.252 0.000 0.249 54 P C -1.928 175.079 177.300 -0.487 0.000 1.229 54 P CA 0.257 63.103 63.100 -0.423 0.000 0.788 54 P CB 0.292 31.706 31.700 -0.477 0.000 1.072 55 V N -6.608 112.948 119.914 -0.598 0.000 3.102 55 V HA 0.387 4.045 4.120 -0.769 0.000 0.312 55 V C -2.703 173.121 176.094 -0.450 0.000 1.135 55 V CA -4.692 57.232 62.300 -0.626 0.000 1.022 55 V CB 0.094 31.579 31.823 -0.564 0.000 1.056 55 V HN -0.802 6.901 8.190 -0.708 0.062 0.436 56 P HA 0.226 4.665 4.420 0.033 0.000 0.271 56 P C 0.590 177.846 177.300 -0.074 0.000 1.216 56 P CA -0.307 62.731 63.100 -0.103 0.000 0.776 56 P CB 1.021 32.673 31.700 -0.079 0.000 0.881 57 W N 2.571 123.909 121.300 0.063 0.000 2.321 57 W HA -0.295 4.377 4.660 0.021 0.000 0.306 57 W C 0.217 176.784 176.519 0.080 0.000 1.217 57 W CA 5.100 62.492 57.345 0.079 0.000 1.257 57 W CB -2.340 27.243 29.460 0.205 0.000 1.145 57 W HN 0.500 8.830 8.180 0.249 0.000 0.509 58 P HA -0.208 4.450 4.420 0.396 0.000 0.219 58 P C 1.171 178.688 177.300 0.360 0.000 1.146 58 P CA 2.468 65.786 63.100 0.364 0.000 0.808 58 P CB -0.288 31.610 31.700 0.329 0.000 0.779 59 T N -4.534 110.096 114.554 0.126 0.000 3.051 59 T HA -0.194 4.329 4.350 0.289 0.000 0.269 59 T C 0.748 175.720 174.700 0.453 0.000 1.127 59 T CA 2.481 64.726 62.100 0.242 0.000 1.107 59 T CB -0.256 68.665 68.868 0.088 0.000 0.898 59 T HN -0.366 7.874 8.240 0.045 0.026 0.517 60 L N -1.818 119.581 121.223 0.292 0.000 2.585 60 L HA 0.254 4.753 4.340 0.266 0.000 0.226 60 L C 0.661 177.623 176.870 0.154 0.000 1.113 60 L CA 0.118 55.086 54.840 0.213 0.000 0.876 60 L CB 0.401 42.507 42.059 0.078 0.000 1.072 60 L HN -0.500 7.708 8.230 0.241 0.166 0.468 61 V N -0.094 119.921 119.914 0.169 0.000 2.287 61 V HA -0.373 3.680 4.120 -0.112 0.000 0.248 61 V C 1.387 177.505 176.094 0.040 0.000 1.053 61 V CA 3.883 66.168 62.300 -0.026 0.000 1.027 61 V CB -0.501 31.126 31.823 -0.326 0.000 0.646 61 V HN -0.701 7.651 8.190 0.269 0.000 0.447 62 T N -6.014 108.673 114.554 0.221 0.000 2.867 62 T HA -0.230 4.217 4.350 0.163 0.000 0.268 62 T C 1.509 176.351 174.700 0.235 0.000 1.057 62 T CA 2.608 64.862 62.100 0.257 0.000 1.136 62 T CB -0.192 68.945 68.868 0.448 0.000 0.874 62 T HN 0.152 8.595 8.240 0.337 0.000 0.466 63 T N 4.255 118.944 114.554 0.225 0.000 2.851 63 T HA -0.183 4.284 4.350 0.195 0.000 0.262 63 T C 0.540 175.300 174.700 0.101 0.000 1.043 63 T CA 3.209 65.412 62.100 0.171 0.000 1.140 63 T CB 0.292 69.256 68.868 0.160 0.000 0.872 63 T HN -0.877 7.491 8.240 0.249 0.021 0.446 69 Q N 2.265 122.010 119.800 -0.092 0.000 2.437 69 Q HA -0.130 4.027 4.340 -0.305 0.000 0.210 69 Q C 1.244 176.904 176.000 -0.566 0.000 0.972 69 Q CA 2.143 57.648 55.803 -0.496 0.000 0.903 69 Q CB -0.198 27.884 28.738 -1.093 0.000 0.967 69 Q HN 0.297 8.554 8.270 -0.020 0.000 0.486 70 C N -3.432 115.686 119.300 -0.304 0.000 2.413 70 C HA -0.156 4.104 4.460 -0.333 0.000 0.292 70 C C 1.061 175.620 174.990 -0.719 0.000 1.435 70 C CA 1.002 59.740 59.018 -0.466 0.000 1.791 70 C CB -2.244 25.207 27.740 -0.482 0.000 1.784 70 C HN -0.385 7.734 8.230 -0.111 0.044 0.548 71 F N -0.815 119.042 119.950 -0.156 0.000 2.765 71 F HA 0.040 4.537 4.527 -0.049 0.000 0.302 71 F C -0.672 175.111 175.800 -0.029 0.000 1.111 71 F CA 0.440 58.410 58.000 -0.050 0.000 1.359 71 F CB -0.506 38.514 39.000 0.034 0.000 1.097 71 F HN -0.347 7.864 8.300 -0.059 0.053 0.577 72 S N 0.576 116.313 115.700 0.062 0.000 2.560 72 S HA -0.259 4.377 4.470 0.060 -0.130 0.284 72 S C -0.806 173.872 174.600 0.129 0.000 1.327 72 S CA 1.923 60.170 58.200 0.079 0.000 1.055 72 S CB 0.473 63.728 63.200 0.092 0.000 0.868 72 S HN -0.631 7.599 8.310 -0.027 0.064 0.506 73 R N 5.380 125.924 120.500 0.073 0.000 2.248 73 R HA 0.150 4.656 4.340 0.095 -0.109 0.337 73 R C -1.115 175.169 176.300 -0.028 0.000 1.085 73 R CA -0.455 55.680 56.100 0.059 0.000 0.934 73 R CB 0.878 31.207 30.300 0.048 0.000 1.034 73 R HN -0.087 8.217 8.270 0.056 0.000 0.465 74 Y N 8.843 129.115 120.300 -0.046 0.000 2.383 74 Y HA 0.119 4.612 4.550 -0.095 0.000 0.344 74 Y C -1.713 174.125 175.900 -0.104 0.000 0.986 74 Y CA -1.598 56.451 58.100 -0.085 0.000 1.175 74 Y CB -0.026 38.382 38.460 -0.086 0.000 1.152 74 Y HN -0.005 8.442 8.280 0.278 0.000 0.511 75 P HA -0.068 4.343 4.420 -0.014 0.000 0.266 75 P C 0.100 177.354 177.300 -0.076 0.000 1.193 75 P CA -0.285 62.770 63.100 -0.075 0.000 0.770 75 P CB 1.064 32.681 31.700 -0.137 0.000 0.836 76 D N 1.525 121.930 120.400 0.008 0.000 2.170 76 D HA -0.424 4.224 4.640 0.013 0.000 0.193 76 D C 1.523 177.837 176.300 0.023 0.000 1.004 76 D CA 3.632 57.647 54.000 0.025 0.000 0.860 76 D CB 0.135 40.968 40.800 0.055 0.000 0.931 76 D HN 0.436 8.827 8.370 0.034 0.000 0.448 77 H N -5.140 113.950 119.070 0.033 0.000 2.546 77 H HA -0.116 4.457 4.556 0.030 0.000 0.277 77 H C 0.333 175.705 175.328 0.073 0.000 1.004 77 H CA 1.798 57.869 56.048 0.037 0.000 1.231 77 H CB -0.569 29.209 29.762 0.027 0.000 1.382 77 H HN -0.035 8.319 8.280 0.154 0.019 0.580 78 M N -2.244 117.156 119.600 -0.333 0.000 2.405 78 M HA 0.379 4.934 4.480 0.124 0.000 0.292 78 M C 0.476 176.810 176.300 0.057 0.000 1.111 78 M CA -0.307 54.948 55.300 -0.075 0.000 0.979 78 M CB 1.462 33.934 32.600 -0.214 0.000 1.426 78 M HN -0.264 7.612 8.290 -0.393 0.178 0.509 79 K N 0.717 121.102 120.400 -0.026 0.000 2.280 79 K HA -0.319 3.967 4.320 -0.056 0.000 0.202 79 K C 1.523 178.016 176.600 -0.179 0.000 1.047 79 K CA 3.062 59.304 56.287 -0.074 0.000 0.942 79 K CB -0.688 31.777 32.500 -0.059 0.000 0.739 79 K HN -0.663 7.563 8.250 -0.039 0.000 0.457 80 Q N -2.635 117.024 119.800 -0.235 0.000 2.515 80 Q HA -0.136 4.043 4.340 -0.268 0.000 0.212 80 Q C -0.138 175.547 176.000 -0.526 0.000 0.970 80 Q CA 1.756 57.340 55.803 -0.365 0.000 0.941 80 Q CB -1.202 27.303 28.738 -0.389 0.000 0.998 80 Q HN 0.386 8.508 8.270 -0.192 0.032 0.518 81 H N -2.627 116.338 119.070 -0.176 0.000 2.594 81 H HA 0.254 4.733 4.556 -0.129 0.000 0.279 81 H C -0.787 174.327 175.328 -0.356 0.000 1.042 81 H CA -0.196 55.733 56.048 -0.198 0.000 1.177 81 H CB 0.489 30.102 29.762 -0.249 0.000 1.524 81 H HN -0.411 7.546 8.280 -0.230 0.186 0.537 82 D N 0.983 121.059 120.400 -0.541 0.000 2.494 82 D HA 0.101 3.993 4.640 -1.248 0.000 0.217 82 D C -0.612 175.433 176.300 -0.424 0.000 1.153 82 D CA -2.332 51.127 54.000 -0.902 0.000 0.954 82 D CB -0.923 39.222 40.800 -1.092 0.000 1.034 82 D HN -0.856 7.184 8.370 -0.445 0.063 0.518 83 F N 7.137 126.791 119.950 -0.493 0.000 2.102 83 F HA -0.299 4.132 4.527 -0.343 -0.110 0.298 83 F C 0.857 176.394 175.800 -0.440 0.000 1.105 83 F CA 3.217 60.925 58.000 -0.486 0.000 1.239 83 F CB 0.385 38.991 39.000 -0.656 0.000 0.991 83 F HN -0.575 7.598 8.300 -0.213 0.000 0.474 84 F N -2.195 117.587 119.950 -0.279 0.000 2.069 84 F HA -0.445 3.705 4.527 -0.630 0.000 0.298 84 F C 2.059 177.658 175.800 -0.334 0.000 1.113 84 F CA 3.930 61.694 58.000 -0.394 0.000 1.214 84 F CB -0.994 37.881 39.000 -0.208 0.000 0.978 84 F HN -0.539 7.572 8.300 -0.426 -0.066 0.474 85 K N -2.439 117.855 120.400 -0.177 0.000 2.211 85 K HA -0.305 3.925 4.320 -0.150 0.000 0.203 85 K C 2.132 178.671 176.600 -0.101 0.000 1.050 85 K CA 2.941 59.114 56.287 -0.190 0.000 0.945 85 K CB -0.120 32.202 32.500 -0.297 0.000 0.732 85 K HN -0.656 7.746 8.250 -0.182 -0.261 0.451 86 S N -0.020 115.537 115.700 -0.238 0.000 2.447 86 S HA -0.196 4.192 4.470 -0.135 0.000 0.233 86 S C 1.209 175.680 174.600 -0.215 0.000 1.006 86 S CA 2.687 60.758 58.200 -0.215 0.000 0.957 86 S CB -0.500 62.546 63.200 -0.257 0.000 0.773 86 S HN -0.671 7.334 8.310 -0.313 0.117 0.507 87 A N 0.843 123.476 122.820 -0.312 0.000 2.206 87 A HA 0.034 4.233 4.320 -0.201 0.000 0.211 87 A C -0.727 176.867 177.584 0.016 0.000 1.158 87 A CA 0.822 52.738 52.037 -0.202 0.000 0.761 87 A CB 0.179 18.997 19.000 -0.304 0.000 0.801 87 A HN -0.676 7.190 8.150 -0.411 0.038 0.473 88 M N -2.259 117.396 119.600 0.092 0.000 2.288 88 M HA 0.356 4.971 4.480 0.224 0.000 0.334 88 M C -1.579 174.790 176.300 0.115 0.000 1.150 88 M CA -3.362 52.067 55.300 0.215 0.000 1.118 88 M CB -0.756 32.126 32.600 0.470 0.000 1.501 88 M HN -0.679 7.465 8.290 0.061 0.182 0.462 89 P HA 0.148 4.833 4.420 0.441 0.000 0.251 89 P C 0.646 178.055 177.300 0.181 0.000 1.223 89 P CA 1.144 64.371 63.100 0.212 0.000 0.796 89 P CB 0.320 32.030 31.700 0.016 0.000 1.068 90 E N -0.390 119.870 120.200 0.099 0.000 2.110 90 E HA -0.265 4.126 4.350 0.067 0.000 0.193 90 E C 0.822 177.464 176.600 0.070 0.000 0.988 90 E CA 2.007 58.450 56.400 0.072 0.000 0.804 90 E CB -0.030 29.699 29.700 0.047 0.000 0.745 90 E HN 0.062 8.416 8.360 0.078 0.053 0.458 91 G N -3.674 105.177 108.800 0.084 0.000 2.483 91 G HA2 -0.255 3.739 3.960 0.039 0.000 0.521 91 G HA3 -0.255 3.790 3.960 -0.025 -0.100 0.521 91 G C -2.386 172.588 174.900 0.123 0.000 1.278 91 G CA -0.518 44.605 45.100 0.039 0.000 0.965 91 G HN -0.474 7.876 8.290 0.100 0.000 0.504 92 Y N -5.571 114.783 120.300 0.091 0.000 2.615 92 Y HA 0.789 5.532 4.550 0.134 -0.112 0.341 92 Y C -2.420 173.565 175.900 0.143 0.000 1.089 92 Y CA -2.243 55.945 58.100 0.147 0.000 1.049 92 Y CB 3.219 41.832 38.460 0.255 0.000 1.296 92 Y HN 0.017 8.081 8.280 -0.360 0.000 0.470 93 V N 0.467 120.582 119.914 0.336 0.000 2.398 93 V HA 0.521 4.926 4.120 0.148 -0.197 0.286 93 V C -1.328 174.951 176.094 0.308 0.000 1.026 93 V CA -1.761 60.673 62.300 0.224 0.000 0.868 93 V CB 1.463 33.371 31.823 0.142 0.000 0.982 93 V HN 0.515 8.932 8.190 0.378 0.000 0.443 94 Q N 8.019 127.990 119.800 0.285 0.000 2.290 94 Q HA 0.562 5.311 4.340 0.254 -0.257 0.259 94 Q C -1.401 174.687 176.000 0.147 0.000 0.941 94 Q CA -1.757 54.202 55.803 0.260 0.000 0.912 94 Q CB 2.704 31.642 28.738 0.333 0.000 1.244 94 Q HN 0.645 9.053 8.270 0.230 0.000 0.441 95 E N 7.456 127.711 120.200 0.092 0.000 2.222 95 E HA 0.914 5.506 4.350 0.068 -0.201 0.267 95 E C -1.304 175.309 176.600 0.021 0.000 0.884 95 E CA -1.339 55.093 56.400 0.053 0.000 0.764 95 E CB 3.828 33.544 29.700 0.027 0.000 1.169 95 E HN 0.431 8.838 8.360 0.077 0.000 0.413 96 R N 2.680 123.204 120.500 0.040 0.000 2.795 96 R HA 0.967 5.489 4.340 -0.030 -0.200 0.275 96 R C -0.899 175.416 176.300 0.024 0.000 0.981 96 R CA -1.657 54.453 56.100 0.017 0.000 0.917 96 R CB 4.734 35.067 30.300 0.056 0.000 1.202 96 R HN 0.259 8.564 8.270 0.058 0.000 0.469 97 T N 4.094 118.653 114.554 0.007 0.000 2.786 97 T HA 0.652 5.185 4.350 0.025 -0.169 0.283 97 T C -1.315 173.302 174.700 -0.138 0.000 0.992 97 T CA -0.325 61.775 62.100 0.000 0.000 0.954 97 T CB 1.483 70.382 68.868 0.052 0.000 0.934 97 T HN 0.351 8.594 8.240 0.005 0.000 0.440 98 I N 8.654 129.102 120.570 -0.204 0.000 2.359 98 I HA 0.515 4.478 4.170 -0.684 -0.203 0.284 98 I C -1.495 174.350 176.117 -0.452 0.000 1.018 98 I CA -1.387 59.598 61.300 -0.526 0.000 1.173 98 I CB 1.408 39.019 38.000 -0.649 0.000 1.326 98 I HN 0.867 9.033 8.210 -0.074 0.000 0.462 99 S N 7.925 123.357 115.700 -0.446 0.000 2.423 99 S HA 0.336 4.682 4.470 -0.207 0.000 0.317 99 S C -0.896 173.489 174.600 -0.357 0.000 1.065 99 S CA -0.673 57.352 58.200 -0.292 0.000 1.111 99 S CB 0.317 63.409 63.200 -0.180 0.000 0.968 99 S HN 0.546 8.580 8.310 -0.459 0.000 0.474 100 F N 7.032 126.890 119.950 -0.153 0.000 2.444 100 F HA 0.141 4.807 4.527 -0.048 -0.168 0.360 100 F C 0.376 176.124 175.800 -0.087 0.000 1.106 100 F CA -0.039 57.909 58.000 -0.088 0.000 1.170 100 F CB 0.512 39.487 39.000 -0.041 0.000 1.113 100 F HN 0.240 8.546 8.300 0.011 0.000 0.521 101 K N 5.867 126.309 120.400 0.070 0.000 2.472 101 K HA -0.351 3.965 4.320 -0.006 0.000 0.280 101 K C -0.080 176.545 176.600 0.041 0.000 1.028 101 K CA 2.188 58.492 56.287 0.028 0.000 1.045 101 K CB 0.375 32.888 32.500 0.021 0.000 0.902 101 K HN -0.251 8.037 8.250 0.062 0.000 0.478 102 D N 1.419 121.821 120.400 0.003 0.000 3.012 102 D HA -0.346 4.283 4.640 -0.018 0.000 0.222 102 D C -1.784 174.508 176.300 -0.014 0.000 1.167 102 D CA 1.691 55.688 54.000 -0.005 0.000 0.854 102 D CB -0.796 40.009 40.800 0.007 0.000 1.107 102 D HN 0.426 8.789 8.370 -0.011 0.000 0.421 103 D N -3.168 117.211 120.400 -0.036 0.000 3.057 103 D HA 0.185 4.763 4.640 -0.103 0.000 0.328 103 D C -1.180 174.946 176.300 -0.291 0.000 1.317 103 D CA -1.172 52.764 54.000 -0.105 0.000 0.973 103 D CB 2.797 43.595 40.800 -0.003 0.000 1.424 103 D HN -0.531 7.781 8.370 -0.030 0.040 0.569 104 G N -2.574 105.746 108.800 -0.801 0.000 2.508 104 G HA2 0.081 3.617 3.960 -0.707 0.000 0.278 104 G HA3 0.081 2.826 3.960 -2.207 -0.109 0.278 104 G C -2.121 172.302 174.900 -0.795 0.000 1.389 104 G CA -0.627 43.724 45.100 -1.249 0.000 1.050 104 G HN -0.080 7.661 8.290 -0.915 0.000 0.522 105 N N -3.613 114.784 118.700 -0.506 0.000 2.242 105 N HA 0.789 5.740 4.740 0.105 -0.148 0.292 105 N C -1.477 174.284 175.510 0.418 0.000 1.125 105 N CA -1.355 51.710 53.050 0.025 0.000 0.783 105 N CB 3.733 42.208 38.487 -0.021 0.000 1.558 105 N HN -0.237 7.800 8.380 -0.572 0.000 0.472 106 Y N -1.329 119.193 120.300 0.370 0.000 2.342 106 Y HA 0.494 5.397 4.550 0.300 -0.173 0.334 106 Y C 0.112 176.083 175.900 0.118 0.000 1.067 106 Y CA -3.181 55.085 58.100 0.276 0.000 1.128 106 Y CB 1.485 40.116 38.460 0.286 0.000 1.200 106 Y HN 0.302 8.775 8.280 0.323 0.000 0.464 107 K N 2.258 122.814 120.400 0.259 0.000 2.292 107 K HA 0.888 5.472 4.320 0.125 -0.188 0.257 107 K C -0.673 175.992 176.600 0.108 0.000 0.940 107 K CA -1.430 54.941 56.287 0.140 0.000 0.811 107 K CB 3.111 35.671 32.500 0.100 0.000 1.120 107 K HN 0.832 9.242 8.250 0.267 0.000 0.428 108 T N 0.426 115.034 114.554 0.090 0.000 2.907 108 T HA 0.921 5.492 4.350 0.047 -0.193 0.292 108 T C -1.269 173.468 174.700 0.062 0.000 1.043 108 T CA -2.619 59.522 62.100 0.069 0.000 1.003 108 T CB 3.393 72.316 68.868 0.091 0.000 1.084 108 T HN 0.478 8.771 8.240 0.088 0.000 0.483 109 R N 3.457 123.986 120.500 0.049 0.000 2.532 109 R HA 0.783 5.331 4.340 0.065 -0.169 0.297 109 R C -2.875 173.455 176.300 0.050 0.000 0.984 109 R CA -0.992 55.139 56.100 0.052 0.000 0.884 109 R CB 3.891 34.214 30.300 0.039 0.000 1.182 109 R HN 0.280 8.571 8.270 0.036 0.000 0.442 110 A N 5.962 128.823 122.820 0.069 0.000 2.393 110 A HA 0.983 5.555 4.320 0.039 -0.229 0.306 110 A C -2.594 175.013 177.584 0.037 0.000 1.050 110 A CA -1.896 50.175 52.037 0.056 0.000 0.724 110 A CB 4.199 23.248 19.000 0.082 0.000 1.248 110 A HN 0.811 9.013 8.150 0.087 0.000 0.424 111 E N 4.467 124.665 120.200 -0.002 0.000 2.133 111 E HA 0.611 5.075 4.350 -0.042 -0.139 0.274 111 E C -1.389 175.139 176.600 -0.121 0.000 0.930 111 E CA -1.877 54.495 56.400 -0.045 0.000 0.770 111 E CB 2.785 32.474 29.700 -0.020 0.000 1.104 111 E HN 0.321 8.682 8.360 0.001 0.000 0.403 112 V N 7.870 127.616 119.914 -0.280 0.000 2.378 112 V HA 0.817 5.029 4.120 -0.241 -0.236 0.288 112 V C -1.797 174.085 176.094 -0.352 0.000 1.016 112 V CA -1.426 60.640 62.300 -0.391 0.000 0.840 112 V CB 0.943 32.326 31.823 -0.734 0.000 0.994 112 V HN 0.511 8.502 8.190 -0.330 0.000 0.431 113 K N 3.402 123.672 120.400 -0.217 0.000 2.607 113 K HA 0.602 4.865 4.320 -0.096 0.000 0.287 113 K C -1.828 174.682 176.600 -0.150 0.000 0.996 113 K CA -1.868 54.347 56.287 -0.119 0.000 0.876 113 K CB 3.923 36.402 32.500 -0.036 0.000 1.496 113 K HN 0.197 8.327 8.250 -0.199 0.000 0.415 114 F N -0.247 119.695 119.950 -0.013 0.000 2.399 114 F HA 0.307 5.011 4.527 -0.008 -0.183 0.342 114 F C 0.909 176.701 175.800 -0.014 0.000 1.106 114 F CA 0.700 58.689 58.000 -0.017 0.000 1.196 114 F CB 1.039 40.014 39.000 -0.042 0.000 1.163 114 F HN -0.301 8.145 8.300 0.244 0.000 0.547 115 E N 4.047 124.340 120.200 0.156 0.000 2.149 115 E HA 0.264 4.669 4.350 0.092 0.000 0.255 115 E C 0.374 177.045 176.600 0.118 0.000 0.888 115 E CA -1.419 55.041 56.400 0.101 0.000 0.742 115 E CB 0.427 30.156 29.700 0.050 0.000 1.164 115 E HN 0.217 8.655 8.360 0.130 0.000 0.422 116 G N 7.366 116.226 108.800 0.100 0.000 2.622 116 G HA2 -0.422 3.559 3.960 0.034 0.000 0.307 116 G HA3 -0.422 3.570 3.960 0.053 0.000 0.307 116 G C -0.761 174.206 174.900 0.112 0.000 1.226 116 G CA 1.206 46.347 45.100 0.067 0.000 0.997 116 G HN 0.569 8.910 8.290 0.085 0.000 0.551 117 D N 5.068 125.526 120.400 0.098 0.000 2.342 117 D HA 0.130 4.808 4.640 0.063 0.000 0.221 117 D C -0.595 175.875 176.300 0.284 0.000 1.101 117 D CA 0.384 54.458 54.000 0.123 0.000 0.837 117 D CB 0.138 40.955 40.800 0.027 0.000 0.938 117 D HN 0.241 8.653 8.370 0.071 0.000 0.508 118 T N 2.673 117.378 114.554 0.252 0.000 2.794 118 T HA 0.144 4.695 4.350 0.133 -0.121 0.280 118 T C -1.721 172.973 174.700 -0.009 0.000 0.987 118 T CA 0.110 62.289 62.100 0.132 0.000 0.993 118 T CB 2.079 70.984 68.868 0.062 0.000 0.939 118 T HN -0.512 7.785 8.240 0.222 0.076 0.449 119 L N 8.035 129.151 121.223 -0.178 0.000 2.281 119 L HA 0.173 4.061 4.340 -0.753 0.000 0.285 119 L C -2.529 174.258 176.870 -0.139 0.000 1.074 119 L CA -0.516 54.074 54.840 -0.417 0.000 0.817 119 L CB 0.568 42.450 42.059 -0.295 0.000 1.168 119 L HN 0.320 8.525 8.230 -0.042 0.000 0.434 120 V N 7.289 127.115 119.914 -0.146 0.000 2.513 120 V HA 0.611 4.933 4.120 -0.025 -0.217 0.299 120 V C -1.525 174.536 176.094 -0.055 0.000 1.035 120 V CA -2.127 60.138 62.300 -0.057 0.000 0.889 120 V CB 2.313 34.112 31.823 -0.039 0.000 0.988 120 V HN 0.575 8.635 8.190 -0.217 0.000 0.440 121 N N 6.916 125.615 118.700 -0.002 0.000 2.518 121 N HA 0.401 5.270 4.740 -0.027 -0.146 0.254 121 N C -1.886 173.641 175.510 0.029 0.000 0.979 121 N CA -1.129 51.928 53.050 0.012 0.000 0.930 121 N CB 2.031 40.557 38.487 0.065 0.000 1.152 121 N HN 0.379 8.772 8.380 0.021 0.000 0.505 122 R N 5.664 126.169 120.500 0.009 0.000 2.295 122 R HA 0.652 5.172 4.340 0.025 -0.166 0.324 122 R C -1.377 174.932 176.300 0.015 0.000 0.968 122 R CA -0.895 55.214 56.100 0.014 0.000 0.837 122 R CB 2.035 32.337 30.300 0.003 0.000 1.133 122 R HN 0.202 8.466 8.270 -0.011 0.000 0.450 123 I N 4.512 125.091 120.570 0.016 0.000 2.545 123 I HA 0.697 5.072 4.170 0.018 -0.195 0.292 123 I C -1.550 174.553 176.117 -0.023 0.000 1.040 123 I CA -1.233 60.073 61.300 0.010 0.000 1.068 123 I CB 4.107 42.122 38.000 0.024 0.000 1.251 123 I HN 0.797 9.017 8.210 0.016 0.000 0.424 124 E N 4.509 124.694 120.200 -0.026 0.000 2.171 124 E HA 0.783 5.258 4.350 -0.090 -0.179 0.271 124 E C -1.738 174.826 176.600 -0.060 0.000 0.916 124 E CA -1.663 54.703 56.400 -0.058 0.000 0.774 124 E CB 3.060 32.738 29.700 -0.037 0.000 1.128 124 E HN 0.325 8.681 8.360 -0.007 0.000 0.403 125 L N 4.805 125.956 121.223 -0.120 0.000 2.385 125 L HA 0.709 5.177 4.340 -0.058 -0.163 0.273 125 L C -2.646 174.152 176.870 -0.121 0.000 0.990 125 L CA -1.268 53.499 54.840 -0.122 0.000 0.821 125 L CB 3.749 45.688 42.059 -0.201 0.000 1.279 125 L HN 0.465 8.593 8.230 -0.169 0.000 0.412 126 K N 6.363 126.749 120.400 -0.025 0.000 2.463 126 K HA 0.795 5.288 4.320 0.000 -0.173 0.255 126 K C -1.432 175.268 176.600 0.166 0.000 0.942 126 K CA -1.642 54.666 56.287 0.035 0.000 0.814 126 K CB 3.981 36.508 32.500 0.046 0.000 1.122 126 K HN 0.521 8.778 8.250 0.012 0.000 0.425 127 G N 5.037 113.977 108.800 0.234 0.000 2.461 127 G HA2 0.930 5.528 3.960 0.694 0.000 0.323 127 G HA3 0.930 5.289 3.960 0.665 0.000 0.323 127 G C -2.447 172.730 174.900 0.463 0.000 1.229 127 G CA -1.562 43.872 45.100 0.557 0.000 0.941 127 G HN 0.775 9.055 8.290 0.157 0.105 0.477 128 I N -2.615 118.207 120.570 0.420 0.000 2.969 128 I HA 0.755 5.175 4.170 0.253 -0.099 0.307 128 I C -1.735 174.395 176.117 0.020 0.000 1.149 128 I CA -2.234 59.195 61.300 0.215 0.000 1.008 128 I CB 4.054 42.118 38.000 0.106 0.000 1.232 128 I HN 0.205 8.673 8.210 0.431 0.000 0.435 129 D N -2.715 117.693 120.400 0.013 0.000 2.945 129 D HA -0.384 4.240 4.640 -0.027 0.000 0.225 129 D C -0.966 175.207 176.300 -0.211 0.000 1.158 129 D CA 2.054 55.998 54.000 -0.093 0.000 0.805 129 D CB -1.470 39.254 40.800 -0.127 0.000 1.098 129 D HN 0.323 8.740 8.370 0.079 0.000 0.426 130 F N -1.942 118.020 119.950 0.021 0.000 2.399 130 F HA 0.001 4.718 4.527 -0.029 -0.208 0.342 130 F C 1.149 176.942 175.800 -0.012 0.000 1.106 130 F CA 0.894 58.886 58.000 -0.013 0.000 1.196 130 F CB 1.356 40.340 39.000 -0.028 0.000 1.163 130 F HN -0.786 7.864 8.300 0.233 -0.210 0.547 131 K N 3.304 123.781 120.400 0.130 0.000 2.322 131 K HA 0.023 4.376 4.320 0.056 0.000 0.283 131 K C 1.256 177.902 176.600 0.077 0.000 1.042 131 K CA -0.191 56.140 56.287 0.073 0.000 0.958 131 K CB 0.450 32.972 32.500 0.037 0.000 0.984 131 K HN 0.230 8.906 8.250 0.123 -0.353 0.473 132 E N 5.225 125.462 120.200 0.061 0.000 2.130 132 E HA -0.365 4.026 4.350 0.069 0.000 0.196 132 E C -0.087 176.528 176.600 0.025 0.000 0.998 132 E CA 3.154 59.586 56.400 0.053 0.000 0.806 132 E CB 0.155 29.885 29.700 0.050 0.000 0.738 132 E HN 0.681 9.074 8.360 0.054 0.000 0.459 133 D N -7.299 113.113 120.400 0.019 0.000 2.440 133 D HA 0.060 4.704 4.640 0.006 0.000 0.216 133 D C -0.105 176.196 176.300 0.002 0.000 1.150 133 D CA -1.141 52.864 54.000 0.009 0.000 0.832 133 D CB -0.620 40.188 40.800 0.012 0.000 0.992 133 D HN -0.261 8.090 8.370 0.025 0.034 0.502 134 G N -0.434 108.368 108.800 0.002 0.000 2.588 134 G HA2 -0.094 3.868 3.960 0.004 0.000 0.278 134 G HA3 -0.094 4.036 3.960 0.013 -0.162 0.278 134 G C 0.528 175.407 174.900 -0.035 0.000 1.307 134 G CA -0.818 44.281 45.100 -0.001 0.000 1.016 134 G HN -0.605 7.513 8.290 0.011 0.179 0.503 135 N N -0.685 117.994 118.700 -0.035 0.000 2.381 135 N HA -0.182 4.532 4.740 -0.044 0.000 0.182 135 N C 1.837 177.250 175.510 -0.161 0.000 1.025 135 N CA 2.762 55.774 53.050 -0.062 0.000 0.888 135 N CB 0.040 38.514 38.487 -0.022 0.000 0.965 135 N HN 0.178 8.549 8.380 -0.014 0.000 0.438 136 I N 0.067 120.500 120.570 -0.229 0.000 2.272 136 I HA -0.248 3.651 4.170 -0.451 0.000 0.235 136 I C 1.988 177.798 176.117 -0.512 0.000 1.071 136 I CA 3.621 64.664 61.300 -0.428 0.000 1.374 136 I CB 0.285 37.930 38.000 -0.593 0.000 1.121 136 I HN -0.815 7.263 8.210 -0.156 0.038 0.420 137 L N -3.499 117.503 121.223 -0.368 0.000 2.291 137 L HA -0.129 3.900 4.340 -0.519 0.000 0.214 137 L C 1.430 178.146 176.870 -0.257 0.000 1.120 137 L CA 1.532 56.159 54.840 -0.355 0.000 0.799 137 L CB -0.178 41.788 42.059 -0.154 0.000 0.925 137 L HN 0.030 8.113 8.230 -0.245 0.000 0.446 138 G N -6.768 101.931 108.800 -0.168 0.000 2.985 138 G HA2 -0.062 3.899 3.960 0.000 0.000 0.209 138 G HA3 -0.062 3.972 3.960 -0.032 -0.093 0.209 138 G C -0.450 174.455 174.900 0.009 0.000 1.165 138 G CA -0.392 44.679 45.100 -0.047 0.000 0.776 138 G HN -0.615 7.538 8.290 -0.169 0.036 0.541 139 H N -2.382 116.625 119.070 -0.105 0.000 2.672 139 H HA -0.348 4.142 4.556 -0.110 0.000 0.325 139 H C -0.672 174.626 175.328 -0.050 0.000 1.158 139 H CA 1.411 57.404 56.048 -0.093 0.000 1.134 139 H CB -2.933 26.770 29.762 -0.097 0.000 1.553 139 H HN -0.422 7.450 8.280 -0.388 0.176 0.419 140 K N -4.201 116.207 120.400 0.013 0.000 2.373 140 K HA 0.148 4.493 4.320 0.043 0.000 0.202 140 K C -1.059 175.561 176.600 0.033 0.000 1.025 140 K CA -0.579 55.724 56.287 0.026 0.000 1.115 140 K CB 1.592 34.099 32.500 0.011 0.000 0.858 140 K HN -0.256 7.967 8.250 -0.045 0.000 0.525 141 L N -0.460 120.781 121.223 0.031 0.000 2.292 141 L HA 0.173 4.667 4.340 0.058 -0.119 0.284 141 L C 0.086 177.019 176.870 0.105 0.000 1.065 141 L CA -0.733 54.138 54.840 0.051 0.000 0.806 141 L CB 0.762 42.816 42.059 -0.008 0.000 1.175 141 L HN -0.434 7.742 8.230 0.018 0.065 0.431 142 E N 1.338 121.608 120.200 0.117 0.000 2.404 142 E HA -0.139 4.300 4.350 0.149 0.000 0.261 142 E C -0.194 176.535 176.600 0.215 0.000 1.074 142 E CA -0.470 56.019 56.400 0.149 0.000 0.917 142 E CB 1.036 30.806 29.700 0.118 0.000 0.965 142 E HN -0.138 8.284 8.360 0.104 0.000 0.433 143 Y N 4.813 125.172 120.300 0.099 0.000 2.667 143 Y HA -0.198 4.441 4.550 0.149 0.000 0.340 143 Y C -1.891 174.084 175.900 0.125 0.000 1.303 143 Y CA 0.384 58.554 58.100 0.117 0.000 1.769 143 Y CB -1.791 36.717 38.460 0.080 0.000 1.804 143 Y HN 0.383 8.848 8.280 0.308 0.000 0.451 144 N N 2.393 121.110 118.700 0.028 0.000 3.106 144 N HA 0.041 4.763 4.740 -0.029 0.000 0.253 144 N C -2.943 172.670 175.510 0.173 0.000 1.506 144 N CA -0.635 52.443 53.050 0.046 0.000 0.876 144 N CB 1.574 40.106 38.487 0.074 0.000 1.452 144 N HN -0.624 7.762 8.380 0.092 0.050 0.542 145 Y N -2.071 118.246 120.300 0.029 0.000 2.390 145 Y HA 0.098 4.736 4.550 0.146 0.000 0.324 145 Y C -1.603 174.337 175.900 0.066 0.000 1.151 145 Y CA 0.131 58.283 58.100 0.087 0.000 1.053 145 Y CB 2.916 41.419 38.460 0.071 0.000 1.277 145 Y HN 0.114 8.491 8.280 0.161 0.000 0.432 146 N N 5.175 123.821 118.700 -0.089 0.000 2.483 146 N HA 0.133 4.818 4.740 -0.092 0.000 0.269 146 N C -0.768 174.629 175.510 -0.188 0.000 1.209 146 N CA -0.181 52.770 53.050 -0.165 0.000 0.969 146 N CB 1.336 39.623 38.487 -0.332 0.000 1.173 146 N HN 0.396 8.600 8.380 -0.294 0.000 0.475 147 S N 0.054 115.613 115.700 -0.234 0.000 2.565 147 S HA 0.058 4.677 4.470 0.001 -0.148 0.276 147 S C -0.365 173.967 174.600 -0.446 0.000 1.326 147 S CA 0.568 58.665 58.200 -0.172 0.000 1.045 147 S CB 0.585 63.734 63.200 -0.085 0.000 0.918 147 S HN 0.098 8.289 8.310 -0.198 0.000 0.505 148 H N 5.753 124.823 119.070 -0.000 0.000 2.980 148 H HA 0.198 4.728 4.556 -0.043 0.000 0.367 148 H C -1.622 173.633 175.328 -0.122 0.000 1.206 148 H CA -0.621 55.398 56.048 -0.050 0.000 1.126 148 H CB 4.657 34.397 29.762 -0.035 0.000 1.838 148 H HN 0.074 8.392 8.280 0.063 0.000 0.552 149 N N 1.200 119.859 118.700 -0.067 0.000 2.421 149 N HA 0.493 5.314 4.740 -0.226 -0.216 0.285 149 N C -0.754 174.442 175.510 -0.523 0.000 1.027 149 N CA -0.723 52.120 53.050 -0.345 0.000 0.918 149 N CB 1.340 39.384 38.487 -0.739 0.000 1.152 149 N HN 0.209 8.585 8.380 -0.007 0.000 0.485 150 V N 4.238 123.823 119.914 -0.549 0.000 2.333 150 V HA 0.031 3.765 4.120 -0.643 0.000 0.274 150 V C -1.451 174.413 176.094 -0.383 0.000 1.028 150 V CA -0.263 61.684 62.300 -0.590 0.000 0.851 150 V CB 0.492 31.913 31.823 -0.671 0.000 1.000 150 V HN 0.526 8.473 8.190 -0.405 0.000 0.456 151 Y N 8.024 128.354 120.300 0.049 0.000 2.383 151 Y HA 0.162 4.873 4.550 0.055 -0.128 0.344 151 Y C -0.623 175.289 175.900 0.020 0.000 0.986 151 Y CA -0.444 57.687 58.100 0.052 0.000 1.175 151 Y CB 0.438 38.938 38.460 0.067 0.000 1.152 151 Y HN -0.266 8.119 8.280 0.175 0.000 0.511 152 I N 4.106 124.676 120.570 0.000 0.000 2.412 152 I HA 0.652 4.996 4.170 -0.005 -0.178 0.296 152 I C -0.547 175.543 176.117 -0.044 0.000 0.987 152 I CA -1.101 60.145 61.300 -0.090 0.000 1.180 152 I CB 2.434 40.240 38.000 -0.322 0.000 1.340 152 I HN 0.477 8.643 8.210 -0.072 0.000 0.455 153 T N 1.773 116.321 114.554 -0.010 0.000 2.903 153 T HA 0.570 5.042 4.350 0.033 -0.102 0.299 153 T C -1.593 173.090 174.700 -0.029 0.000 1.093 153 T CA -2.361 59.748 62.100 0.014 0.000 1.002 153 T CB 3.431 72.325 68.868 0.042 0.000 1.127 153 T HN 0.413 8.642 8.240 -0.018 0.000 0.488 154 A N 1.925 124.740 122.820 -0.009 0.000 2.371 154 A HA 0.006 4.264 4.320 -0.103 0.000 0.257 154 A C -0.843 176.715 177.584 -0.042 0.000 1.089 154 A CA -0.677 51.333 52.037 -0.045 0.000 0.794 154 A CB 0.702 19.701 19.000 -0.003 0.000 1.029 154 A HN 0.640 8.804 8.150 0.022 0.000 0.488 155 D N 2.371 122.725 120.400 -0.076 0.000 2.460 155 D HA 0.189 4.816 4.640 -0.021 0.000 0.268 155 D C 0.080 176.358 176.300 -0.036 0.000 1.153 155 D CA -1.207 52.764 54.000 -0.047 0.000 0.929 155 D CB 0.417 41.181 40.800 -0.061 0.000 1.015 155 D HN 0.060 8.254 8.370 -0.124 0.101 0.502 156 K N 3.612 124.005 120.400 -0.013 0.000 2.097 156 K HA -0.288 4.031 4.320 -0.001 0.000 0.206 156 K C 2.362 178.965 176.600 0.004 0.000 1.049 156 K CA 2.884 59.170 56.287 -0.001 0.000 0.933 156 K CB -0.041 32.463 32.500 0.008 0.000 0.717 156 K HN 0.472 8.718 8.250 -0.007 0.000 0.442 157 Q N -1.436 118.367 119.800 0.005 0.000 2.297 157 Q HA -0.114 4.233 4.340 0.012 0.000 0.204 157 Q C 1.203 177.210 176.000 0.011 0.000 0.962 157 Q CA 2.236 58.045 55.803 0.010 0.000 0.879 157 Q CB 0.072 28.817 28.738 0.011 0.000 0.947 157 Q HN -0.019 8.340 8.270 0.004 -0.087 0.462 158 K N -3.143 117.259 120.400 0.004 0.000 2.437 158 K HA 0.098 4.427 4.320 0.016 0.000 0.205 158 K C -0.900 175.707 176.600 0.012 0.000 1.026 158 K CA -0.648 55.644 56.287 0.007 0.000 1.153 158 K CB -0.025 32.472 32.500 -0.005 0.000 0.863 158 K HN -0.618 7.799 8.250 -0.003 -0.169 0.502 159 N N -1.266 117.444 118.700 0.016 0.000 2.710 159 N HA -0.371 4.393 4.740 0.040 0.000 0.249 159 N C -1.075 174.470 175.510 0.059 0.000 1.059 159 N CA 1.038 54.114 53.050 0.045 0.000 0.720 159 N CB -0.965 37.562 38.487 0.067 0.000 0.983 159 N HN -0.343 7.860 8.380 0.012 0.184 0.544 160 G N -5.560 103.201 108.800 -0.065 0.000 2.846 160 G HA2 0.716 4.462 3.960 -0.357 0.000 0.299 160 G HA3 0.716 4.663 3.960 -0.274 -0.151 0.299 160 G C -2.887 171.726 174.900 -0.479 0.000 1.242 160 G CA -0.227 44.687 45.100 -0.309 0.000 0.800 160 G HN -0.468 7.770 8.290 -0.070 0.010 0.538 161 I N -6.505 113.663 120.570 -0.670 0.000 3.074 161 I HA 0.870 4.931 4.170 -0.343 -0.097 0.310 161 I C -2.459 173.471 176.117 -0.311 0.000 1.153 161 I CA -2.121 58.876 61.300 -0.504 0.000 0.993 161 I CB 4.370 41.946 38.000 -0.707 0.000 1.237 161 I HN 0.102 7.866 8.210 -0.743 0.000 0.443 162 K N -0.775 119.518 120.400 -0.178 0.000 2.395 162 K HA 0.909 5.297 4.320 -0.159 -0.164 0.247 162 K C -1.647 174.946 176.600 -0.013 0.000 0.973 162 K CA -2.035 54.190 56.287 -0.105 0.000 0.828 162 K CB 4.793 37.280 32.500 -0.021 0.000 1.272 162 K HN 0.425 8.583 8.250 -0.153 0.000 0.439 163 A N -0.670 122.178 122.820 0.046 0.000 2.539 163 A HA 0.981 5.617 4.320 0.188 -0.203 0.296 163 A C -2.382 175.382 177.584 0.301 0.000 1.073 163 A CA -1.688 50.468 52.037 0.200 0.000 0.700 163 A CB 4.051 23.208 19.000 0.262 0.000 1.296 163 A HN 0.563 8.693 8.150 -0.033 0.000 0.405 164 N N 0.149 119.089 118.700 0.400 0.000 2.260 164 N HA 1.102 6.206 4.740 0.284 -0.193 0.293 164 N C -1.590 174.245 175.510 0.541 0.000 1.058 164 N CA -0.491 52.777 53.050 0.363 0.000 0.824 164 N CB 4.866 43.507 38.487 0.257 0.000 1.551 164 N HN -0.268 8.355 8.380 0.405 0.000 0.475 165 F N -1.550 118.499 119.950 0.166 0.000 2.799 165 F HA 0.339 4.985 4.527 0.197 0.000 0.316 165 F C -3.213 172.617 175.800 0.049 0.000 1.155 165 F CA -0.328 57.747 58.000 0.126 0.000 0.916 165 F CB 1.618 40.644 39.000 0.044 0.000 1.294 165 F HN 0.382 8.678 8.300 -0.007 0.000 0.447 166 K N 0.651 121.151 120.400 0.167 0.000 2.358 166 K HA 0.387 4.809 4.320 -0.048 -0.131 0.260 166 K C -1.709 174.865 176.600 -0.043 0.000 0.956 166 K CA -1.107 55.192 56.287 0.021 0.000 0.834 166 K CB 2.014 34.541 32.500 0.045 0.000 1.102 166 K HN 0.332 8.755 8.250 0.288 0.000 0.431 167 I N 3.967 124.397 120.570 -0.234 0.000 2.396 167 I HA 0.050 3.637 4.170 -0.972 0.000 0.292 167 I C -0.587 175.350 176.117 -0.300 0.000 0.999 167 I CA -2.689 58.277 61.300 -0.556 0.000 1.310 167 I CB 0.899 38.514 38.000 -0.642 0.000 1.404 167 I HN 0.244 8.345 8.210 -0.181 0.000 0.496 168 R N 6.088 126.540 120.500 -0.080 0.000 2.288 168 R HA 0.259 4.566 4.340 -0.056 0.000 0.326 168 R C -1.000 175.216 176.300 -0.140 0.000 0.959 168 R CA -1.300 54.779 56.100 -0.034 0.000 0.834 168 R CB 1.048 31.384 30.300 0.062 0.000 1.157 168 R HN -0.133 8.300 8.270 0.272 0.000 0.470 169 H N 5.577 124.657 119.070 0.018 0.000 2.517 169 H HA 0.216 4.730 4.556 -0.071 0.000 0.317 169 H C -0.712 174.629 175.328 0.021 0.000 1.080 169 H CA -1.050 54.998 56.048 -0.000 0.000 1.301 169 H CB 1.787 31.592 29.762 0.072 0.000 1.425 169 H HN 0.381 8.666 8.280 0.009 0.000 0.471 170 N N 5.014 123.790 118.700 0.127 0.000 2.468 170 N HA 0.004 4.788 4.740 0.073 0.000 0.265 170 N C -0.613 174.955 175.510 0.097 0.000 1.199 170 N CA 0.768 53.871 53.050 0.089 0.000 0.928 170 N CB 0.455 38.981 38.487 0.065 0.000 1.059 170 N HN 0.508 8.954 8.380 0.110 0.000 0.467 171 I N 2.528 123.145 120.570 0.078 0.000 2.499 171 I HA 0.151 4.486 4.170 0.066 -0.126 0.296 171 I C 1.563 177.713 176.117 0.054 0.000 0.992 171 I CA -0.380 60.958 61.300 0.064 0.000 1.297 171 I CB 1.151 39.184 38.000 0.055 0.000 1.410 171 I HN 0.194 8.447 8.210 0.071 0.000 0.507 172 E N 5.497 125.727 120.200 0.051 0.000 2.401 172 E HA -0.305 4.252 4.350 0.053 -0.175 0.199 172 E C -0.151 176.471 176.600 0.037 0.000 1.023 172 E CA 2.439 58.867 56.400 0.047 0.000 0.859 172 E CB -0.059 29.668 29.700 0.045 0.000 0.780 172 E HN 0.271 8.661 8.360 0.050 0.000 0.523 173 D N -3.943 116.477 120.400 0.033 0.000 2.339 173 D HA -0.073 4.582 4.640 0.025 0.000 0.217 173 D C 0.890 177.205 176.300 0.026 0.000 1.050 173 D CA -0.691 53.325 54.000 0.027 0.000 0.856 173 D CB -1.008 39.806 40.800 0.023 0.000 0.922 173 D HN -0.447 7.890 8.370 0.035 0.054 0.518 174 G N -0.760 108.058 108.800 0.030 0.000 2.194 174 G HA2 -0.391 3.586 3.960 0.028 0.000 0.236 174 G HA3 -0.391 3.583 3.960 0.023 0.000 0.236 174 G C -0.441 174.475 174.900 0.027 0.000 0.987 174 G CA -0.216 44.900 45.100 0.027 0.000 0.635 174 G HN -0.209 8.034 8.290 0.034 0.068 0.520 175 S N 0.454 116.172 115.700 0.031 0.000 2.646 175 S HA 0.335 4.821 4.470 0.027 0.000 0.273 175 S C -1.134 173.492 174.600 0.043 0.000 1.168 175 S CA -0.743 57.476 58.200 0.032 0.000 1.013 175 S CB 1.041 64.259 63.200 0.030 0.000 1.098 175 S HN -0.361 8.194 8.310 0.032 -0.226 0.544 176 V N -0.201 119.741 119.914 0.046 0.000 2.638 176 V HA 0.439 4.766 4.120 0.071 -0.164 0.306 176 V C -1.118 175.023 176.094 0.079 0.000 1.052 176 V CA -1.312 61.025 62.300 0.061 0.000 0.885 176 V CB 2.740 34.588 31.823 0.042 0.000 0.999 176 V HN -0.042 8.173 8.190 0.041 0.000 0.424 177 Q N 7.320 127.195 119.800 0.125 0.000 2.368 177 Q HA 0.233 4.653 4.340 0.133 0.000 0.256 177 Q C -1.662 174.444 176.000 0.177 0.000 0.980 177 Q CA -1.665 54.239 55.803 0.169 0.000 0.887 177 Q CB 1.345 30.219 28.738 0.226 0.000 1.221 177 Q HN 0.495 8.851 8.270 0.144 0.000 0.458 178 L N 8.489 129.778 121.223 0.110 0.000 2.380 178 L HA 0.425 4.931 4.340 0.011 -0.160 0.273 178 L C -1.479 175.404 176.870 0.020 0.000 1.138 178 L CA -0.305 54.559 54.840 0.040 0.000 0.832 178 L CB 2.143 44.208 42.059 0.010 0.000 1.124 178 L HN 0.615 8.903 8.230 0.097 0.000 0.454 179 A N 6.609 129.370 122.820 -0.098 0.000 2.545 179 A HA 0.524 4.723 4.320 -0.477 -0.165 0.300 179 A C -1.853 175.612 177.584 -0.197 0.000 1.252 179 A CA -1.839 50.003 52.037 -0.326 0.000 0.753 179 A CB 1.969 20.727 19.000 -0.403 0.000 1.144 179 A HN 0.788 8.875 8.150 -0.104 0.000 0.457 180 D N 7.140 127.396 120.400 -0.240 0.000 2.348 180 D HA 0.110 4.682 4.640 -0.114 0.000 0.253 180 D C -1.010 175.137 176.300 -0.256 0.000 1.161 180 D CA 1.062 54.960 54.000 -0.170 0.000 0.876 180 D CB 1.519 42.231 40.800 -0.146 0.000 1.160 180 D HN -0.113 8.091 8.370 -0.278 0.000 0.459 181 H N 4.789 123.570 119.070 -0.482 0.000 2.481 181 H HA 0.541 5.008 4.556 -0.401 -0.153 0.333 181 H C -1.325 173.819 175.328 -0.306 0.000 1.066 181 H CA -0.867 54.834 56.048 -0.580 0.000 1.209 181 H CB 2.209 31.115 29.762 -1.427 0.000 1.445 181 H HN 0.732 8.881 8.280 -0.218 0.000 0.488 182 Y N 5.803 125.998 120.300 -0.175 0.000 2.350 182 Y HA 0.607 5.270 4.550 -0.042 -0.138 0.338 182 Y C -2.635 173.262 175.900 -0.006 0.000 0.961 182 Y CA -2.164 55.896 58.100 -0.068 0.000 1.100 182 Y CB 3.417 41.843 38.460 -0.058 0.000 1.179 182 Y HN 0.348 8.617 8.280 -0.018 0.000 0.454 183 E N 8.303 128.267 120.200 -0.393 0.000 2.293 183 E HA 0.842 5.263 4.350 -0.206 -0.194 0.270 183 E C -2.425 173.938 176.600 -0.395 0.000 0.879 183 E CA -2.366 53.881 56.400 -0.255 0.000 0.756 183 E CB 4.635 34.378 29.700 0.072 0.000 1.208 183 E HN 0.415 8.554 8.360 -0.369 0.000 0.428 184 Q N 4.974 124.625 119.800 -0.249 0.000 2.372 184 Q HA 0.610 4.970 4.340 -0.219 -0.151 0.273 184 Q C -2.087 173.871 176.000 -0.070 0.000 1.078 184 Q CA -1.382 54.305 55.803 -0.192 0.000 0.806 184 Q CB 4.515 33.147 28.738 -0.176 0.000 1.332 184 Q HN 0.560 8.725 8.270 -0.174 0.000 0.435 185 N N 6.355 124.983 118.700 -0.120 0.000 2.296 185 N HA 0.864 5.899 4.740 0.116 -0.225 0.294 185 N C -1.640 173.826 175.510 -0.073 0.000 1.033 185 N CA -0.481 52.547 53.050 -0.037 0.000 0.839 185 N CB 4.494 42.908 38.487 -0.122 0.000 1.395 185 N HN 0.548 8.802 8.380 -0.209 0.000 0.479 186 T N 2.282 116.937 114.554 0.168 0.000 2.916 186 T HA 0.570 5.015 4.350 0.157 0.000 0.298 186 T C -2.451 172.455 174.700 0.343 0.000 1.031 186 T CA -3.808 58.411 62.100 0.198 0.000 0.993 186 T CB 1.851 70.783 68.868 0.107 0.000 1.045 186 T HN 0.431 8.822 8.240 0.252 0.000 0.454 187 P HA 0.139 4.859 4.420 0.299 -0.120 0.271 187 P C -0.966 176.434 177.300 0.167 0.000 1.218 187 P CA -0.084 63.168 63.100 0.254 0.000 0.780 187 P CB 0.922 32.716 31.700 0.157 0.000 0.901 188 I N -0.354 120.297 120.570 0.136 0.000 2.480 188 I HA -0.142 4.081 4.170 0.089 0.000 0.251 188 I C 1.358 177.514 176.117 0.065 0.000 1.124 188 I CA 1.110 62.463 61.300 0.089 0.000 1.444 188 I CB 0.272 38.314 38.000 0.071 0.000 1.098 188 I HN 0.258 8.556 8.210 0.148 0.000 0.428 189 G N -0.403 108.431 108.800 0.057 0.000 2.588 189 G HA2 -0.068 3.913 3.960 0.036 0.000 0.281 189 G HA3 -0.068 3.911 3.960 0.032 0.000 0.281 189 G C -1.752 173.169 174.900 0.036 0.000 1.236 189 G CA -0.165 44.958 45.100 0.038 0.000 0.969 189 G HN -0.334 7.993 8.290 0.062 0.000 0.504 190 D N -2.411 118.003 120.400 0.025 0.000 2.501 190 D HA 0.011 4.669 4.640 0.029 0.000 0.226 190 D C 0.478 176.786 176.300 0.013 0.000 1.198 190 D CA -0.399 53.615 54.000 0.023 0.000 0.830 190 D CB 0.574 41.386 40.800 0.021 0.000 1.014 190 D HN -0.074 8.308 8.370 0.021 0.000 0.496 191 G N 0.656 109.461 108.800 0.007 0.000 2.562 191 G HA2 0.089 4.047 3.960 -0.003 0.000 0.275 191 G HA3 0.089 4.044 3.960 -0.009 0.000 0.275 191 G C -1.479 173.417 174.900 -0.008 0.000 1.196 191 G CA -1.349 43.749 45.100 -0.004 0.000 0.908 191 G HN -0.483 7.751 8.290 0.008 0.061 0.524 192 P HA 0.152 4.570 4.420 -0.004 0.000 0.271 192 P C -1.092 176.185 177.300 -0.037 0.000 1.218 192 P CA -0.338 62.752 63.100 -0.016 0.000 0.780 192 P CB 0.515 32.203 31.700 -0.020 0.000 0.901 193 V N -4.249 115.648 119.914 -0.029 0.000 3.046 193 V HA 0.319 4.365 4.120 -0.123 0.000 0.316 193 V C -1.021 175.056 176.094 -0.029 0.000 1.104 193 V CA -3.284 58.974 62.300 -0.069 0.000 1.006 193 V CB 2.648 34.426 31.823 -0.076 0.000 1.058 193 V HN -0.022 8.167 8.190 -0.002 0.000 0.440 194 L N 0.896 122.084 121.223 -0.059 0.000 2.290 194 L HA 0.176 4.488 4.340 -0.046 0.000 0.284 194 L C -0.812 176.098 176.870 0.066 0.000 1.078 194 L CA -0.620 54.197 54.840 -0.038 0.000 0.815 194 L CB 0.178 42.163 42.059 -0.122 0.000 1.162 194 L HN -0.142 8.011 8.230 -0.129 0.000 0.435 195 L N 4.587 125.836 121.223 0.043 0.000 2.277 195 L HA 0.361 4.739 4.340 0.064 0.000 0.284 195 L C -1.814 175.101 176.870 0.075 0.000 1.028 195 L CA -2.688 52.184 54.840 0.055 0.000 0.835 195 L CB -0.037 42.044 42.059 0.036 0.000 1.215 195 L HN 0.239 8.476 8.230 0.012 0.000 0.425 196 P HA 0.171 4.829 4.420 0.396 0.000 0.279 196 P C -1.299 176.167 177.300 0.277 0.000 1.252 196 P CA -1.355 61.925 63.100 0.299 0.000 0.811 196 P CB 1.202 33.115 31.700 0.354 0.000 1.035 197 D N 0.911 121.525 120.400 0.356 0.000 2.361 197 D HA -0.132 4.593 4.640 0.141 0.000 0.239 197 D C -0.001 176.401 176.300 0.170 0.000 1.200 197 D CA 0.195 54.282 54.000 0.145 0.000 0.915 197 D CB 1.062 41.879 40.800 0.027 0.000 1.170 197 D HN -0.206 8.570 8.370 0.676 0.000 0.444 198 N N 0.930 119.705 118.700 0.125 0.000 2.412 198 N HA 0.080 5.094 4.740 0.126 -0.199 0.258 198 N C -0.427 175.201 175.510 0.196 0.000 1.236 198 N CA 1.405 54.538 53.050 0.139 0.000 0.882 198 N CB 0.136 38.686 38.487 0.105 0.000 1.066 198 N HN 0.245 8.682 8.380 0.095 0.000 0.465 199 H N 0.150 119.269 119.070 0.083 0.000 2.883 199 H HA 0.297 4.899 4.556 0.076 0.000 0.277 199 H C -3.011 172.407 175.328 0.150 0.000 1.451 199 H CA -0.631 55.444 56.048 0.045 0.000 1.157 199 H CB 2.033 31.731 29.762 -0.107 0.000 1.851 199 H HN -0.010 8.265 8.280 -0.007 0.000 0.566 200 Y N -6.022 114.241 120.300 -0.061 0.000 2.609 200 Y HA 0.863 5.336 4.550 -0.373 -0.148 0.342 200 Y C -2.672 173.121 175.900 -0.178 0.000 1.058 200 Y CA -2.632 55.305 58.100 -0.270 0.000 1.055 200 Y CB 2.861 41.040 38.460 -0.469 0.000 1.292 200 Y HN 0.146 8.276 8.280 -0.251 0.000 0.476 201 L N -0.393 120.776 121.223 -0.090 0.000 2.296 201 L HA 0.404 4.786 4.340 -0.179 -0.150 0.286 201 L C -0.413 176.450 176.870 -0.011 0.000 1.023 201 L CA -1.176 53.596 54.840 -0.114 0.000 0.812 201 L CB 1.726 43.710 42.059 -0.126 0.000 1.223 201 L HN 0.234 8.395 8.230 -0.116 0.000 0.421 202 S N 4.330 120.042 115.700 0.020 0.000 2.438 202 S HA 0.434 5.210 4.470 0.079 -0.258 0.293 202 S C -0.744 173.871 174.600 0.026 0.000 1.141 202 S CA -1.103 57.141 58.200 0.073 0.000 1.080 202 S CB 0.992 64.270 63.200 0.131 0.000 0.978 202 S HN 0.648 8.925 8.310 -0.056 0.000 0.479 203 T N 10.548 125.118 114.554 0.027 0.000 2.824 203 T HA 0.712 5.304 4.350 0.059 -0.207 0.282 203 T C -1.601 173.159 174.700 0.100 0.000 0.993 203 T CA -0.687 61.444 62.100 0.052 0.000 0.967 203 T CB 2.391 71.266 68.868 0.013 0.000 0.960 203 T HN 0.716 8.970 8.240 0.024 0.000 0.441 204 Q N 5.909 125.788 119.800 0.131 0.000 2.356 204 Q HA 0.473 4.899 4.340 0.143 0.000 0.270 204 Q C -1.669 174.420 176.000 0.148 0.000 1.058 204 Q CA -0.755 55.139 55.803 0.151 0.000 0.802 204 Q CB 4.062 32.894 28.738 0.157 0.000 1.303 204 Q HN 0.531 8.888 8.270 0.145 0.000 0.444 205 S N 3.089 118.872 115.700 0.138 0.000 2.547 205 S HA 0.787 5.434 4.470 0.018 -0.167 0.281 205 S C -1.164 173.477 174.600 0.068 0.000 1.118 205 S CA -0.831 57.398 58.200 0.049 0.000 0.947 205 S CB 2.763 65.901 63.200 -0.103 0.000 1.053 205 S HN 0.433 8.849 8.310 0.177 0.000 0.482 206 A N 4.703 127.536 122.820 0.021 0.000 2.335 206 A HA 0.519 4.859 4.320 0.033 0.000 0.304 206 A C -2.345 175.214 177.584 -0.042 0.000 1.118 206 A CA -1.189 50.859 52.037 0.018 0.000 0.757 206 A CB 2.534 21.563 19.000 0.048 0.000 1.188 206 A HN 0.790 8.938 8.150 -0.004 0.000 0.460 207 L N 3.801 124.964 121.223 -0.100 0.000 2.317 207 L HA 0.978 5.401 4.340 -0.163 -0.181 0.281 207 L C 0.180 177.013 176.870 -0.061 0.000 1.024 207 L CA -1.077 53.629 54.840 -0.224 0.000 0.810 207 L CB 1.611 43.271 42.059 -0.665 0.000 1.240 207 L HN 0.365 8.546 8.230 -0.083 0.000 0.427 208 S N 1.861 117.616 115.700 0.092 0.000 2.752 208 S HA 0.262 4.904 4.470 0.286 0.000 0.284 208 S C -1.857 172.845 174.600 0.170 0.000 1.189 208 S CA -1.069 57.247 58.200 0.193 0.000 0.835 208 S CB 2.459 65.714 63.200 0.091 0.000 1.192 208 S HN 0.682 9.023 8.310 0.052 0.000 0.506 209 K N -0.322 120.138 120.400 0.101 0.000 2.318 209 K HA 0.231 4.571 4.320 0.034 0.000 0.249 209 K C -1.263 175.463 176.600 0.211 0.000 0.942 209 K CA -2.107 54.236 56.287 0.095 0.000 0.808 209 K CB 2.573 35.056 32.500 -0.028 0.000 1.189 209 K HN 0.084 8.397 8.250 0.104 0.000 0.428 210 D N 3.207 123.850 120.400 0.405 0.000 2.316 210 D HA 0.300 4.975 4.640 0.058 0.000 0.245 210 D C 0.309 176.633 176.300 0.041 0.000 1.171 210 D CA -3.170 50.883 54.000 0.089 0.000 0.856 210 D CB 0.828 41.569 40.800 -0.097 0.000 1.090 210 D HN 0.059 9.049 8.370 1.032 0.000 0.476 211 P HA -0.005 4.432 4.420 0.029 0.000 0.225 211 P C -0.209 177.082 177.300 -0.015 0.000 1.148 211 P CA 1.231 64.338 63.100 0.013 0.000 0.779 211 P CB 0.367 32.072 31.700 0.007 0.000 0.780 212 N N -2.238 116.434 118.700 -0.046 0.000 2.280 212 N HA 0.062 4.778 4.740 -0.040 0.000 0.192 212 N C -1.314 174.141 175.510 -0.092 0.000 1.109 212 N CA -0.035 52.981 53.050 -0.057 0.000 0.855 212 N CB 0.551 39.005 38.487 -0.054 0.000 0.974 212 N HN -0.370 8.210 8.380 -0.053 -0.232 0.482 213 E N 1.210 121.316 120.200 -0.157 0.000 2.146 213 E HA 0.124 4.355 4.350 -0.198 0.000 0.282 213 E C -0.575 175.945 176.600 -0.134 0.000 0.989 213 E CA -0.511 55.736 56.400 -0.256 0.000 0.799 213 E CB 0.570 29.860 29.700 -0.683 0.000 1.088 213 E HN -0.742 7.464 8.360 -0.146 0.066 0.397 214 K N 5.689 126.049 120.400 -0.067 0.000 2.352 214 K HA 0.049 4.380 4.320 0.018 0.000 0.194 214 K C 0.888 177.513 176.600 0.042 0.000 1.038 214 K CA 0.384 56.671 56.287 0.000 0.000 1.023 214 K CB 0.422 32.920 32.500 -0.003 0.000 0.840 214 K HN 0.369 8.572 8.250 -0.078 0.000 0.519 215 R N -0.103 120.419 120.500 0.036 0.000 2.707 215 R HA -0.021 4.376 4.340 0.095 0.000 0.270 215 R C -0.901 175.546 176.300 0.245 0.000 1.083 215 R CA -0.348 55.815 56.100 0.105 0.000 1.182 215 R CB 0.702 31.053 30.300 0.086 0.000 1.084 215 R HN -0.553 8.013 8.270 -0.019 -0.307 0.528 216 D N -0.416 120.139 120.400 0.258 0.000 2.383 216 D HA -0.098 4.729 4.640 0.310 0.000 0.252 216 D C -1.318 175.297 176.300 0.525 0.000 1.166 216 D CA 1.034 55.250 54.000 0.361 0.000 0.879 216 D CB 0.570 41.547 40.800 0.295 0.000 1.164 216 D HN 0.373 8.865 8.370 0.204 0.000 0.462 217 H N 0.239 119.407 119.070 0.162 0.000 2.981 217 H HA 0.485 5.037 4.556 -0.182 -0.106 0.327 217 H C -3.244 171.552 175.328 -0.888 0.000 1.342 217 H CA -1.495 54.404 56.048 -0.250 0.000 1.123 217 H CB 2.566 32.265 29.762 -0.104 0.000 1.851 217 H HN -0.215 8.085 8.280 0.032 0.000 0.531 218 M N -0.111 118.909 119.600 -0.967 0.000 2.271 218 M HA 0.520 4.640 4.480 -0.600 0.000 0.285 218 M C -2.469 173.747 176.300 -0.140 0.000 1.059 218 M CA -0.797 54.093 55.300 -0.683 0.000 0.940 218 M CB 3.850 35.923 32.600 -0.878 0.000 1.636 218 M HN 0.347 8.267 8.290 -0.616 0.000 0.460 219 V N 6.030 125.924 119.914 -0.034 0.000 2.407 219 V HA 0.521 4.774 4.120 -0.013 -0.141 0.278 219 V C -2.081 174.013 176.094 -0.000 0.000 1.037 219 V CA -1.011 61.294 62.300 0.007 0.000 0.900 219 V CB 0.541 32.385 31.823 0.035 0.000 0.983 219 V HN 0.406 8.569 8.190 -0.044 0.000 0.459 220 L N 8.785 130.008 121.223 0.001 0.000 2.385 220 L HA 0.804 5.314 4.340 -0.031 -0.188 0.273 220 L C -2.711 174.122 176.870 -0.062 0.000 0.990 220 L CA -1.598 53.239 54.840 -0.006 0.000 0.821 220 L CB 4.276 46.403 42.059 0.113 0.000 1.279 220 L HN 0.709 8.926 8.230 -0.023 0.000 0.412 221 L N 7.047 128.223 121.223 -0.079 0.000 2.325 221 L HA 0.840 5.242 4.340 -0.193 -0.177 0.281 221 L C -2.372 174.396 176.870 -0.171 0.000 1.004 221 L CA -1.388 53.366 54.840 -0.144 0.000 0.823 221 L CB 3.184 45.192 42.059 -0.085 0.000 1.236 221 L HN 0.324 8.519 8.230 -0.060 0.000 0.415 222 E N 6.817 126.834 120.200 -0.306 0.000 2.293 222 E HA 0.836 5.313 4.350 -0.110 -0.193 0.270 222 E C -1.943 174.370 176.600 -0.478 0.000 0.879 222 E CA -1.927 54.333 56.400 -0.234 0.000 0.756 222 E CB 4.470 34.091 29.700 -0.132 0.000 1.208 222 E HN 0.365 8.496 8.360 -0.381 0.000 0.428 223 F N 2.971 122.927 119.950 0.010 0.000 2.507 223 F HA 0.893 5.681 4.527 0.032 -0.242 0.325 223 F C -1.246 174.559 175.800 0.008 0.000 1.116 223 F CA -1.859 56.154 58.000 0.021 0.000 0.930 223 F CB 3.879 42.894 39.000 0.025 0.000 1.146 223 F HN 0.555 8.929 8.300 0.124 0.000 0.447 224 V N 3.045 123.060 119.914 0.169 0.000 2.525 224 V HA 0.697 5.048 4.120 0.053 -0.199 0.299 224 V C -1.053 175.064 176.094 0.039 0.000 1.034 224 V CA -1.337 61.002 62.300 0.065 0.000 0.863 224 V CB 2.429 34.256 31.823 0.006 0.000 0.999 224 V HN 0.571 8.877 8.190 0.193 0.000 0.423 225 T N 9.065 123.605 114.554 -0.022 0.000 2.879 225 T HA 0.467 4.906 4.350 -0.094 -0.145 0.290 225 T C -1.672 172.889 174.700 -0.231 0.000 0.993 225 T CA -1.067 60.977 62.100 -0.093 0.000 0.975 225 T CB 2.594 71.436 68.868 -0.043 0.000 0.981 225 T HN 0.468 8.696 8.240 -0.020 0.000 0.439 226 A N 6.973 129.539 122.820 -0.422 0.000 2.371 226 A HA 0.610 4.813 4.320 -0.483 -0.173 0.257 226 A C -1.488 175.815 177.584 -0.468 0.000 1.089 226 A CA -0.632 51.053 52.037 -0.587 0.000 0.794 226 A CB 0.940 19.178 19.000 -1.271 0.000 1.029 226 A HN 0.514 8.399 8.150 -0.440 0.000 0.488 227 A N 1.375 123.846 122.820 -0.581 0.000 2.529 227 A HA 0.324 4.435 4.320 -0.348 0.000 0.296 227 A C -1.320 175.875 177.584 -0.648 0.000 1.205 227 A CA -0.643 51.041 52.037 -0.588 0.000 0.671 227 A CB 2.272 20.890 19.000 -0.636 0.000 1.301 227 A HN 0.580 8.352 8.150 -0.629 0.000 0.450 228 G N -3.642 104.954 108.800 -0.339 0.000 2.159 228 G HA2 -0.229 3.811 3.960 0.134 0.000 0.227 228 G HA3 -0.229 3.716 3.960 -0.024 0.000 0.227 228 G C -0.782 174.134 174.900 0.028 0.000 0.986 228 G CA 0.594 45.670 45.100 -0.040 0.000 0.651 228 G HN 0.276 8.436 8.290 -0.217 0.000 0.523 229 I N 0.000 120.566 120.570 -0.006 0.000 2.984 229 I HA 0.000 4.190 4.170 0.034 0.000 0.288 229 I CA 0.000 61.320 61.300 0.034 0.000 1.566 229 I CB 0.000 37.948 38.000 -0.086 0.000 1.214 229 I HN 0.000 8.117 8.210 -0.041 0.069 0.494