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 2awk_1_A DATA FIRST_RESID 3 DATA SEQUENCE KGEELFTGVV PILVELDGDV NGHKFSVSGE GEGDATYGKL TLKFICTTGK DATA SEQUENCE LPVPWPTLVT TLXXXVQCFS RYPDHMKQHD FFKSAMPEGY VQEMTISFKD DATA SEQUENCE DGNYKTRAEV KFEGDTLVNR IELKGIDFKE DGNILGHKLE YNYNSHNVYI DATA SEQUENCE TADKQKNGIK ANFKIRHNIE DGSVQLADHY QQNTPIGDGP 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 4.297 4.320 -0.038 0.000 0.191 3 K C 0.000 176.586 176.600 -0.024 0.000 0.988 3 K CA 0.000 56.265 56.287 -0.037 0.000 0.838 3 K CB 0.000 32.479 32.500 -0.035 0.000 1.064 4 G N 4.805 113.601 108.800 -0.007 0.000 2.446 4 G HA2 -0.342 3.724 3.960 0.056 0.000 0.217 4 G HA3 -0.342 3.920 3.960 0.062 -0.265 0.217 4 G C 0.901 175.893 174.900 0.154 0.000 1.168 4 G CA 2.202 47.338 45.100 0.061 0.000 0.771 4 G HN 0.761 9.037 8.290 -0.024 0.000 0.551 5 E N 1.457 121.709 120.200 0.086 0.000 2.209 5 E HA -0.354 4.116 4.350 0.199 0.000 0.196 5 E C 2.261 178.956 176.600 0.157 0.000 0.993 5 E CA 2.524 58.999 56.400 0.126 0.000 0.819 5 E CB -0.894 28.809 29.700 0.005 0.000 0.745 5 E HN 0.552 8.925 8.360 0.021 0.000 0.477 6 E N -0.388 119.850 120.200 0.063 0.000 2.265 6 E HA -0.251 4.113 4.350 0.023 0.000 0.196 6 E C 2.217 178.803 176.600 -0.023 0.000 0.996 6 E CA 2.034 58.442 56.400 0.014 0.000 0.832 6 E CB -0.444 29.240 29.700 -0.027 0.000 0.756 6 E HN -0.598 7.751 8.360 0.037 0.033 0.491 7 L N -3.074 118.110 121.223 -0.066 0.000 2.551 7 L HA -0.150 3.994 4.340 -0.327 0.000 0.228 7 L C 0.678 177.309 176.870 -0.399 0.000 1.153 7 L CA 1.157 55.795 54.840 -0.337 0.000 0.851 7 L CB 0.125 41.801 42.059 -0.638 0.000 0.959 7 L HN -0.687 7.507 8.230 0.012 0.043 0.451 8 F N -5.138 114.830 119.950 0.030 0.000 2.683 8 F HA 0.313 4.926 4.527 0.144 0.000 0.306 8 F C 0.350 176.194 175.800 0.074 0.000 1.102 8 F CA -0.950 57.097 58.000 0.078 0.000 1.244 8 F CB 0.987 39.998 39.000 0.018 0.000 1.029 8 F HN -0.628 7.704 8.300 0.195 0.085 0.545 9 T N -2.685 111.957 114.554 0.146 0.000 3.085 9 T HA -0.030 4.383 4.350 0.105 0.000 0.263 9 T C 0.580 175.342 174.700 0.103 0.000 1.127 9 T CA 0.978 63.139 62.100 0.102 0.000 1.103 9 T CB 0.472 69.372 68.868 0.053 0.000 0.921 9 T HN -0.676 7.620 8.240 0.092 0.000 0.510 10 G N 1.152 110.021 108.800 0.116 0.000 3.140 10 G HA2 0.241 4.278 3.960 0.129 0.000 0.271 10 G HA3 0.241 4.256 3.960 0.091 0.000 0.271 10 G C -2.065 172.935 174.900 0.166 0.000 1.370 10 G CA -1.591 43.582 45.100 0.122 0.000 1.014 10 G HN -0.871 7.437 8.290 0.109 0.047 0.541 11 V N 0.518 120.515 119.914 0.138 0.000 2.572 11 V HA 0.047 4.441 4.120 0.155 -0.181 0.291 11 V C -0.221 175.944 176.094 0.119 0.000 1.039 11 V CA 0.759 63.135 62.300 0.126 0.000 1.055 11 V CB 0.496 32.364 31.823 0.075 0.000 0.969 11 V HN 0.121 8.380 8.190 0.116 0.000 0.482 12 V N 7.561 127.568 119.914 0.155 0.000 2.448 12 V HA 0.545 4.749 4.120 0.140 0.000 0.295 12 V C -2.048 174.087 176.094 0.068 0.000 1.025 12 V CA -3.738 58.668 62.300 0.175 0.000 0.859 12 V CB 3.012 35.061 31.823 0.378 0.000 0.988 12 V HN 0.561 8.845 8.190 0.158 0.000 0.431 13 P HA 0.221 4.746 4.420 -0.053 -0.137 0.271 13 P C -1.311 175.975 177.300 -0.022 0.000 1.216 13 P CA -0.527 62.563 63.100 -0.015 0.000 0.776 13 P CB 0.353 32.052 31.700 -0.001 0.000 0.881 14 I N 0.525 121.048 120.570 -0.079 0.000 2.509 14 I HA 0.746 5.117 4.170 -0.031 -0.219 0.293 14 I C -0.895 175.182 176.117 -0.066 0.000 1.020 14 I CA -1.315 59.943 61.300 -0.071 0.000 1.088 14 I CB 3.833 41.752 38.000 -0.136 0.000 1.267 14 I HN 0.206 8.259 8.210 -0.105 0.094 0.430 15 L N 5.110 126.314 121.223 -0.032 0.000 2.365 15 L HA 0.717 5.208 4.340 -0.034 -0.171 0.273 15 L C -1.321 175.566 176.870 0.028 0.000 1.000 15 L CA -1.426 53.404 54.840 -0.016 0.000 0.819 15 L CB 3.104 45.158 42.059 -0.008 0.000 1.284 15 L HN 0.281 8.496 8.230 -0.025 0.000 0.418 16 V N 1.870 121.826 119.914 0.070 0.000 2.531 16 V HA 0.673 5.072 4.120 0.121 -0.206 0.301 16 V C -1.238 174.948 176.094 0.152 0.000 1.034 16 V CA -1.510 60.882 62.300 0.153 0.000 0.865 16 V CB 3.017 35.036 31.823 0.327 0.000 0.995 16 V HN 0.525 8.745 8.190 0.049 0.000 0.424 17 E N 6.686 126.954 120.200 0.113 0.000 2.241 17 E HA 0.715 5.299 4.350 0.115 -0.165 0.263 17 E C -2.287 174.354 176.600 0.067 0.000 0.882 17 E CA -1.703 54.752 56.400 0.091 0.000 0.769 17 E CB 3.465 33.197 29.700 0.054 0.000 1.185 17 E HN 0.385 8.803 8.360 0.097 0.000 0.415 18 L N 5.739 126.999 121.223 0.063 0.000 2.365 18 L HA 0.713 5.253 4.340 -0.011 -0.207 0.273 18 L C -2.533 174.288 176.870 -0.081 0.000 1.000 18 L CA -1.435 53.404 54.840 -0.001 0.000 0.819 18 L CB 3.970 46.044 42.059 0.025 0.000 1.284 18 L HN 0.619 8.904 8.230 0.090 0.000 0.418 19 D N 5.871 126.181 120.400 -0.151 0.000 2.375 19 D HA 0.682 5.277 4.640 -0.284 -0.126 0.247 19 D C -0.922 175.121 176.300 -0.428 0.000 1.061 19 D CA -1.007 52.839 54.000 -0.256 0.000 0.834 19 D CB 3.529 44.235 40.800 -0.157 0.000 1.247 19 D HN 0.116 8.415 8.370 -0.118 0.000 0.489 20 G N 0.241 108.547 108.800 -0.823 0.000 2.519 20 G HA2 0.510 4.287 3.960 -0.648 0.000 0.307 20 G HA3 0.510 3.328 3.960 -1.903 0.000 0.307 20 G C -2.939 171.522 174.900 -0.732 0.000 1.266 20 G CA -1.043 43.406 45.100 -1.084 0.000 0.970 20 G HN 0.717 8.479 8.290 -0.880 0.000 0.481 21 D N 1.659 121.867 120.400 -0.321 0.000 2.602 21 D HA 0.577 5.427 4.640 0.002 -0.208 0.245 21 D C -1.818 174.527 176.300 0.075 0.000 1.325 21 D CA -1.048 52.918 54.000 -0.056 0.000 0.952 21 D CB 3.133 43.904 40.800 -0.047 0.000 1.317 21 D HN -0.039 8.161 8.370 -0.283 0.000 0.577 22 V N 5.910 125.948 119.914 0.206 0.000 2.376 22 V HA 0.326 4.752 4.120 0.200 -0.187 0.287 22 V C -0.173 176.061 176.094 0.232 0.000 1.015 22 V CA -1.770 60.642 62.300 0.188 0.000 0.834 22 V CB 1.192 33.044 31.823 0.048 0.000 1.001 22 V HN 0.200 8.563 8.190 0.288 0.000 0.428 23 N N 9.190 128.029 118.700 0.231 0.000 2.708 23 N HA -0.367 4.468 4.740 0.158 0.000 0.249 23 N C 0.016 175.546 175.510 0.033 0.000 1.097 23 N CA 1.550 54.706 53.050 0.177 0.000 0.710 23 N CB -1.322 37.310 38.487 0.242 0.000 1.032 23 N HN 0.927 9.460 8.380 0.256 0.000 0.551 24 G N -6.244 102.567 108.800 0.019 0.000 2.176 24 G HA2 -0.529 3.471 3.960 -0.029 0.000 0.253 24 G HA3 -0.529 3.361 3.960 -0.117 0.000 0.253 24 G C -0.680 174.149 174.900 -0.118 0.000 0.979 24 G CA 0.248 45.307 45.100 -0.069 0.000 0.641 24 G HN -0.098 8.427 8.290 0.069 -0.194 0.530 25 H N 2.693 121.799 119.070 0.061 0.000 2.864 25 H HA -0.018 4.574 4.556 0.059 0.000 0.281 25 H C -0.822 174.602 175.328 0.160 0.000 1.093 25 H CA -0.045 56.051 56.048 0.079 0.000 1.453 25 H CB 0.084 29.872 29.762 0.044 0.000 1.462 25 H HN -0.149 7.999 8.280 0.090 0.187 0.480 26 K N 5.572 126.098 120.400 0.210 0.000 2.156 26 K HA 0.595 5.141 4.320 0.067 -0.186 0.271 26 K C -0.819 175.919 176.600 0.230 0.000 0.995 26 K CA -0.499 55.864 56.287 0.127 0.000 0.890 26 K CB 1.568 34.084 32.500 0.027 0.000 1.073 26 K HN 0.394 8.742 8.250 0.164 0.000 0.454 27 F N -1.105 118.826 119.950 -0.031 0.000 2.713 27 F HA 0.415 4.926 4.527 -0.025 0.000 0.311 27 F C -2.815 172.962 175.800 -0.040 0.000 1.141 27 F CA -1.749 56.225 58.000 -0.043 0.000 0.939 27 F CB 2.691 41.638 39.000 -0.089 0.000 1.325 27 F HN 0.423 8.552 8.300 -0.284 0.000 0.453 28 S N -0.178 115.574 115.700 0.087 0.000 2.541 28 S HA 0.842 5.475 4.470 -0.072 -0.206 0.280 28 S C -1.501 173.211 174.600 0.187 0.000 1.112 28 S CA -0.871 57.355 58.200 0.043 0.000 0.925 28 S CB 3.293 66.509 63.200 0.027 0.000 1.067 28 S HN -0.075 8.360 8.310 0.209 0.000 0.479 29 V N 3.878 123.901 119.914 0.181 0.000 2.656 29 V HA 0.554 5.056 4.120 0.319 -0.190 0.307 29 V C -1.605 174.641 176.094 0.254 0.000 1.051 29 V CA -1.547 60.923 62.300 0.283 0.000 0.893 29 V CB 3.726 35.755 31.823 0.342 0.000 0.999 29 V HN 0.541 8.799 8.190 0.114 0.000 0.426 30 S N 5.585 121.450 115.700 0.275 0.000 2.502 30 S HA 0.839 5.598 4.470 0.193 -0.173 0.304 30 S C -1.017 173.723 174.600 0.234 0.000 1.097 30 S CA -1.132 57.194 58.200 0.209 0.000 1.045 30 S CB 2.758 66.033 63.200 0.125 0.000 1.019 30 S HN 0.390 8.881 8.310 0.301 0.000 0.481 31 G N 1.529 110.433 108.800 0.173 0.000 2.524 31 G HA2 0.704 4.732 3.960 -0.212 0.000 0.310 31 G HA3 0.704 4.514 3.960 -0.251 0.000 0.310 31 G C -2.647 172.147 174.900 -0.176 0.000 1.279 31 G CA -1.123 43.903 45.100 -0.123 0.000 0.974 31 G HN 0.837 9.235 8.290 0.179 0.000 0.484 32 E N 0.868 120.894 120.200 -0.290 0.000 2.340 32 E HA 0.994 5.427 4.350 -0.162 -0.180 0.273 32 E C -1.015 175.424 176.600 -0.269 0.000 0.891 32 E CA -1.737 54.538 56.400 -0.208 0.000 0.757 32 E CB 4.968 34.587 29.700 -0.135 0.000 1.231 32 E HN -0.113 8.015 8.360 -0.387 0.000 0.439 33 G N 0.474 109.147 108.800 -0.212 0.000 2.441 33 G HA2 0.396 4.246 3.960 -0.184 0.000 0.225 33 G HA3 0.396 4.404 3.960 -0.252 -0.198 0.225 33 G C -2.898 171.888 174.900 -0.189 0.000 1.200 33 G CA 1.013 45.987 45.100 -0.211 0.000 0.947 33 G HN -0.042 8.143 8.290 -0.175 0.000 0.484 34 E N -2.074 117.991 120.200 -0.225 0.000 2.412 34 E HA 0.824 5.180 4.350 -0.236 -0.147 0.279 34 E C -2.036 174.336 176.600 -0.379 0.000 0.984 34 E CA -1.884 54.373 56.400 -0.238 0.000 0.788 34 E CB 4.340 33.959 29.700 -0.136 0.000 1.277 34 E HN 0.119 8.337 8.360 -0.237 0.000 0.455 35 G N -1.944 106.541 108.800 -0.526 0.000 2.524 35 G HA2 0.441 4.256 3.960 -0.546 0.000 0.310 35 G HA3 0.441 3.364 3.960 -1.728 0.000 0.310 35 G C -3.018 171.825 174.900 -0.095 0.000 1.279 35 G CA -0.950 43.709 45.100 -0.736 0.000 0.974 35 G HN 0.259 8.302 8.290 -0.411 0.000 0.484 36 D N 2.161 122.629 120.400 0.113 0.000 2.346 36 D HA 0.511 5.350 4.640 0.333 0.000 0.255 36 D C -0.332 176.174 176.300 0.344 0.000 1.276 36 D CA -1.561 52.615 54.000 0.294 0.000 0.941 36 D CB 1.865 42.842 40.800 0.295 0.000 1.199 36 D HN 0.105 8.500 8.370 0.043 0.000 0.537 37 A N 5.705 128.782 122.820 0.430 0.000 2.019 37 A HA -0.080 4.624 4.320 0.315 -0.195 0.219 37 A C 2.014 179.668 177.584 0.117 0.000 1.164 37 A CA 2.442 54.660 52.037 0.302 0.000 0.644 37 A CB -0.098 19.051 19.000 0.248 0.000 0.805 37 A HN 0.488 8.964 8.150 0.543 0.000 0.449 38 T N 0.873 115.428 114.554 0.002 0.000 2.778 38 T HA -0.390 3.831 4.350 -0.215 0.000 0.269 38 T C 0.441 174.833 174.700 -0.513 0.000 1.050 38 T CA 4.027 65.929 62.100 -0.329 0.000 1.137 38 T CB 0.160 68.691 68.868 -0.562 0.000 0.860 38 T HN -0.177 8.082 8.240 0.081 0.029 0.468 39 Y N -5.338 115.053 120.300 0.152 0.000 2.584 39 Y HA 0.058 4.693 4.550 0.141 0.000 0.254 39 Y C -0.238 175.801 175.900 0.233 0.000 1.177 39 Y CA -1.199 57.005 58.100 0.173 0.000 1.216 39 Y CB 0.580 39.154 38.460 0.190 0.000 1.172 39 Y HN -0.738 7.547 8.280 0.059 0.030 0.529 40 G N 0.088 109.042 108.800 0.258 0.000 2.283 40 G HA2 -0.494 3.797 3.960 0.190 0.000 0.280 40 G HA3 -0.494 3.738 3.960 0.217 -0.142 0.280 40 G C -1.024 173.993 174.900 0.196 0.000 1.029 40 G CA 0.929 46.166 45.100 0.227 0.000 0.840 40 G HN -0.438 7.761 8.290 0.191 0.205 0.505 41 K N 0.034 120.521 120.400 0.144 0.000 2.244 41 K HA 0.788 5.026 4.320 -0.427 -0.175 0.260 41 K C -1.921 174.555 176.600 -0.206 0.000 0.951 41 K CA -1.463 54.739 56.287 -0.141 0.000 0.826 41 K CB 3.242 35.740 32.500 -0.002 0.000 1.108 41 K HN -0.689 7.688 8.250 0.211 0.000 0.433 42 L N 5.981 127.000 121.223 -0.341 0.000 2.365 42 L HA 0.718 5.012 4.340 -0.331 -0.152 0.273 42 L C -1.296 175.398 176.870 -0.293 0.000 1.000 42 L CA -1.288 53.369 54.840 -0.305 0.000 0.819 42 L CB 3.623 45.544 42.059 -0.230 0.000 1.284 42 L HN 0.631 8.581 8.230 -0.468 0.000 0.418 43 T N 0.345 114.748 114.554 -0.251 0.000 2.890 43 T HA 0.752 5.169 4.350 -0.194 -0.183 0.295 43 T C -1.148 173.419 174.700 -0.222 0.000 0.993 43 T CA -1.344 60.632 62.100 -0.206 0.000 0.979 43 T CB 1.525 70.291 68.868 -0.169 0.000 0.967 43 T HN 0.430 8.510 8.240 -0.267 0.000 0.441 44 L N 5.115 126.200 121.223 -0.231 0.000 2.393 44 L HA 0.612 4.874 4.340 -0.375 -0.147 0.260 44 L C -2.573 174.053 176.870 -0.406 0.000 1.002 44 L CA -0.656 53.951 54.840 -0.388 0.000 0.818 44 L CB 5.054 46.795 42.059 -0.531 0.000 1.369 44 L HN 0.642 8.762 8.230 -0.184 0.000 0.412 45 K N 0.898 121.001 120.400 -0.496 0.000 2.376 45 K HA 0.671 5.011 4.320 -0.246 -0.168 0.257 45 K C -1.628 174.668 176.600 -0.506 0.000 0.939 45 K CA -1.385 54.689 56.287 -0.355 0.000 0.809 45 K CB 3.381 35.774 32.500 -0.178 0.000 1.121 45 K HN 0.279 8.230 8.250 -0.498 0.000 0.425 46 F N 4.949 124.856 119.950 -0.073 0.000 2.469 46 F HA 0.568 5.300 4.527 0.059 -0.170 0.332 46 F C -0.654 175.161 175.800 0.025 0.000 1.103 46 F CA -1.499 56.498 58.000 -0.006 0.000 0.979 46 F CB 3.273 42.281 39.000 0.012 0.000 1.137 46 F HN 0.625 8.904 8.300 -0.034 0.000 0.463 47 I N 0.730 121.517 120.570 0.360 0.000 2.498 47 I HA 0.412 4.942 4.170 0.379 -0.133 0.290 47 I C -1.593 174.803 176.117 0.466 0.000 1.032 47 I CA -1.652 59.863 61.300 0.358 0.000 1.073 47 I CB 4.147 42.260 38.000 0.189 0.000 1.251 47 I HN 0.745 9.176 8.210 0.368 0.000 0.426 48 C N 8.410 128.029 119.300 0.532 0.000 2.540 48 C HA 0.354 5.174 4.460 0.330 -0.162 0.377 48 C C 1.993 177.116 174.990 0.221 0.000 1.274 48 C CA -1.155 58.067 59.018 0.340 0.000 1.718 48 C CB -1.347 26.527 27.740 0.224 0.000 2.391 48 C HN 0.338 8.947 8.230 0.632 0.000 0.565 49 T N 7.086 121.750 114.554 0.182 0.000 3.100 49 T HA -0.020 4.402 4.350 0.121 0.000 0.253 49 T C 0.686 175.446 174.700 0.100 0.000 1.118 49 T CA 1.827 64.003 62.100 0.126 0.000 1.058 49 T CB 0.024 68.956 68.868 0.106 0.000 0.953 49 T HN 0.406 8.763 8.240 0.195 0.000 0.515 50 T N -3.337 111.283 114.554 0.110 0.000 3.069 50 T HA 0.145 4.539 4.350 0.073 0.000 0.252 50 T C 0.273 175.017 174.700 0.074 0.000 1.053 50 T CA -0.766 61.387 62.100 0.088 0.000 0.964 50 T CB 0.934 69.866 68.868 0.106 0.000 1.005 50 T HN -0.432 7.827 8.240 0.132 0.060 0.532 51 G N 2.006 110.851 108.800 0.076 0.000 2.217 51 G HA2 -0.200 3.792 3.960 0.054 0.000 0.173 51 G HA3 -0.200 3.785 3.960 0.042 0.000 0.173 51 G C -1.765 173.160 174.900 0.042 0.000 1.324 51 G CA -0.576 44.556 45.100 0.053 0.000 1.225 51 G HN -0.767 7.529 8.290 0.093 0.050 0.494 52 K N 0.739 121.139 120.400 0.000 0.000 2.218 52 K HA 0.003 4.436 4.320 -0.013 -0.120 0.276 52 K C 0.155 176.677 176.600 -0.130 0.000 1.022 52 K CA -0.943 55.316 56.287 -0.047 0.000 0.946 52 K CB 0.186 32.638 32.500 -0.079 0.000 1.000 52 K HN -0.120 8.129 8.250 -0.002 0.000 0.468 53 L N 5.552 126.639 121.223 -0.228 0.000 2.410 53 L HA 0.065 4.088 4.340 -0.528 0.000 0.273 53 L C -0.781 175.828 176.870 -0.436 0.000 1.144 53 L CA -1.958 52.586 54.840 -0.494 0.000 0.863 53 L CB 0.665 42.220 42.059 -0.840 0.000 1.140 53 L HN 0.158 8.658 8.230 -0.169 -0.371 0.463 54 P HA 0.140 4.406 4.420 -0.258 0.000 0.249 54 P C -1.893 175.107 177.300 -0.499 0.000 1.229 54 P CA 0.300 63.140 63.100 -0.433 0.000 0.788 54 P CB 0.225 31.633 31.700 -0.486 0.000 1.072 55 V N -6.315 113.223 119.914 -0.626 0.000 3.074 55 V HA 0.408 4.036 4.120 -0.820 0.000 0.314 55 V C -2.671 173.121 176.094 -0.503 0.000 1.117 55 V CA -4.664 57.236 62.300 -0.666 0.000 1.014 55 V CB 0.358 31.831 31.823 -0.583 0.000 1.057 55 V HN -0.786 6.901 8.190 -0.735 0.062 0.438 56 P HA 0.222 4.636 4.420 -0.010 0.000 0.271 56 P C 0.599 177.846 177.300 -0.089 0.000 1.216 56 P CA -0.269 62.746 63.100 -0.141 0.000 0.771 56 P CB 0.899 32.534 31.700 -0.109 0.000 0.864 57 W N 3.149 124.485 121.300 0.059 0.000 2.304 57 W HA -0.320 4.353 4.660 0.022 0.000 0.315 57 W C 0.192 176.756 176.519 0.076 0.000 1.233 57 W CA 5.155 62.546 57.345 0.077 0.000 1.261 57 W CB -2.408 27.177 29.460 0.208 0.000 1.150 57 W HN 0.531 8.840 8.180 0.216 0.000 0.494 58 P HA -0.204 4.454 4.420 0.396 0.000 0.219 58 P C 1.141 178.677 177.300 0.394 0.000 1.146 58 P CA 2.418 65.741 63.100 0.371 0.000 0.808 58 P CB -0.327 31.578 31.700 0.342 0.000 0.779 59 T N -4.524 110.123 114.554 0.155 0.000 3.072 59 T HA -0.186 4.369 4.350 0.343 0.000 0.266 59 T C 0.746 175.731 174.700 0.477 0.000 1.127 59 T CA 2.487 64.751 62.100 0.273 0.000 1.107 59 T CB -0.227 68.705 68.868 0.107 0.000 0.910 59 T HN -0.388 7.855 8.240 0.064 0.035 0.513 60 L N -1.749 119.659 121.223 0.309 0.000 2.616 60 L HA 0.271 4.784 4.340 0.287 0.000 0.229 60 L C 0.607 177.577 176.870 0.167 0.000 1.110 60 L CA 0.017 54.995 54.840 0.230 0.000 0.884 60 L CB 0.528 42.643 42.059 0.092 0.000 1.115 60 L HN -0.465 7.750 8.230 0.258 0.169 0.481 61 V N 0.071 120.092 119.914 0.178 0.000 2.287 61 V HA -0.424 3.632 4.120 -0.107 0.000 0.248 61 V C 1.040 177.169 176.094 0.058 0.000 1.053 61 V CA 4.149 66.442 62.300 -0.011 0.000 1.027 61 V CB -0.335 31.312 31.823 -0.292 0.000 0.646 61 V HN -0.742 7.615 8.190 0.279 0.000 0.447 62 T N -5.527 109.164 114.554 0.229 0.000 2.915 62 T HA -0.172 4.277 4.350 0.164 0.000 0.269 62 T C 1.178 176.027 174.700 0.248 0.000 1.071 62 T CA 2.145 64.400 62.100 0.258 0.000 1.132 62 T CB 0.003 69.125 68.868 0.424 0.000 0.878 62 T HN -0.017 8.427 8.240 0.341 0.000 0.479 63 T N 2.096 116.794 114.554 0.241 0.000 2.809 63 T HA -0.177 4.299 4.350 0.209 0.000 0.260 63 T C 0.437 175.210 174.700 0.122 0.000 1.039 63 T CA 2.389 64.602 62.100 0.188 0.000 1.141 63 T CB 0.338 69.310 68.868 0.173 0.000 0.869 63 T HN -0.548 7.828 8.240 0.266 0.024 0.437 69 Q N 2.320 122.053 119.800 -0.111 0.000 2.515 69 Q HA -0.062 4.099 4.340 -0.299 0.000 0.212 69 Q C 1.381 177.059 176.000 -0.538 0.000 0.970 69 Q CA 1.858 57.355 55.803 -0.511 0.000 0.941 69 Q CB -0.249 27.794 28.738 -1.158 0.000 0.998 69 Q HN 0.358 8.602 8.270 -0.042 0.000 0.518 70 C N -2.862 116.283 119.300 -0.257 0.000 2.409 70 C HA -0.157 4.126 4.460 -0.295 0.000 0.288 70 C C 0.981 175.543 174.990 -0.713 0.000 1.395 70 C CA 1.084 59.843 59.018 -0.432 0.000 1.792 70 C CB -2.139 25.325 27.740 -0.460 0.000 1.847 70 C HN -0.407 7.731 8.230 -0.071 0.049 0.534 71 F N -0.815 119.052 119.950 -0.138 0.000 2.732 71 F HA 0.057 4.563 4.527 -0.035 0.000 0.303 71 F C -0.801 174.983 175.800 -0.027 0.000 1.110 71 F CA 0.271 58.246 58.000 -0.042 0.000 1.355 71 F CB -0.539 38.483 39.000 0.037 0.000 1.081 71 F HN -0.274 7.943 8.300 -0.059 0.047 0.565 72 S N 0.581 116.315 115.700 0.057 0.000 2.568 72 S HA -0.248 4.388 4.470 0.054 -0.134 0.282 72 S C -0.810 173.862 174.600 0.121 0.000 1.338 72 S CA 1.884 60.126 58.200 0.071 0.000 1.045 72 S CB 0.509 63.747 63.200 0.062 0.000 0.873 72 S HN -0.614 7.509 8.310 -0.029 0.170 0.516 73 R N 4.729 125.266 120.500 0.063 0.000 2.242 73 R HA 0.174 4.668 4.340 0.087 -0.102 0.334 73 R C -1.205 175.076 176.300 -0.032 0.000 1.071 73 R CA -0.487 55.643 56.100 0.050 0.000 0.922 73 R CB 1.036 31.358 30.300 0.036 0.000 1.023 73 R HN 0.007 8.303 8.270 0.043 0.000 0.458 74 Y N 8.719 128.986 120.300 -0.055 0.000 2.367 74 Y HA 0.149 4.639 4.550 -0.101 0.000 0.342 74 Y C -1.709 174.124 175.900 -0.112 0.000 0.979 74 Y CA -1.668 56.377 58.100 -0.091 0.000 1.161 74 Y CB 0.184 38.591 38.460 -0.088 0.000 1.155 74 Y HN 0.083 8.524 8.280 0.268 0.000 0.503 75 P HA -0.074 4.331 4.420 -0.024 0.000 0.266 75 P C 0.115 177.365 177.300 -0.084 0.000 1.193 75 P CA -0.239 62.808 63.100 -0.088 0.000 0.770 75 P CB 1.085 32.683 31.700 -0.169 0.000 0.836 76 D N 1.383 121.785 120.400 0.005 0.000 2.149 76 D HA -0.419 4.226 4.640 0.009 0.000 0.194 76 D C 1.528 177.842 176.300 0.024 0.000 1.001 76 D CA 3.576 57.590 54.000 0.023 0.000 0.849 76 D CB 0.140 40.972 40.800 0.052 0.000 0.939 76 D HN 0.427 8.817 8.370 0.033 0.000 0.449 77 H N -4.942 114.147 119.070 0.031 0.000 2.559 77 H HA -0.114 4.459 4.556 0.028 0.000 0.273 77 H C 0.241 175.616 175.328 0.077 0.000 1.000 77 H CA 1.771 57.842 56.048 0.038 0.000 1.195 77 H CB -0.600 29.180 29.762 0.030 0.000 1.368 77 H HN -0.005 8.362 8.280 0.171 0.015 0.592 78 M N -2.321 117.093 119.600 -0.310 0.000 2.412 78 M HA 0.379 4.963 4.480 0.174 0.000 0.315 78 M C 0.397 176.729 176.300 0.054 0.000 1.092 78 M CA -0.363 54.907 55.300 -0.049 0.000 0.974 78 M CB 1.560 34.044 32.600 -0.194 0.000 1.437 78 M HN -0.208 7.675 8.290 -0.362 0.190 0.524 79 K N 0.594 120.972 120.400 -0.038 0.000 2.280 79 K HA -0.302 3.984 4.320 -0.057 0.000 0.202 79 K C 1.488 177.970 176.600 -0.197 0.000 1.047 79 K CA 2.987 59.225 56.287 -0.083 0.000 0.942 79 K CB -0.694 31.767 32.500 -0.065 0.000 0.739 79 K HN -0.659 7.562 8.250 -0.048 0.000 0.457 80 Q N -2.660 116.973 119.800 -0.280 0.000 2.515 80 Q HA -0.120 4.051 4.340 -0.282 0.000 0.212 80 Q C -0.177 175.495 176.000 -0.547 0.000 0.970 80 Q CA 1.705 57.266 55.803 -0.403 0.000 0.941 80 Q CB -1.153 27.331 28.738 -0.424 0.000 0.998 80 Q HN 0.365 8.449 8.270 -0.249 0.037 0.518 81 H N -2.748 116.228 119.070 -0.157 0.000 2.594 81 H HA 0.269 4.760 4.556 -0.109 0.000 0.279 81 H C -0.776 174.361 175.328 -0.320 0.000 1.042 81 H CA -0.582 55.362 56.048 -0.173 0.000 1.177 81 H CB 0.459 30.092 29.762 -0.215 0.000 1.524 81 H HN -0.383 7.531 8.280 -0.298 0.188 0.537 82 D N 1.080 121.177 120.400 -0.504 0.000 2.494 82 D HA 0.111 4.055 4.640 -1.161 0.000 0.217 82 D C -0.591 175.462 176.300 -0.411 0.000 1.153 82 D CA -2.403 51.081 54.000 -0.861 0.000 0.954 82 D CB -0.862 39.284 40.800 -1.090 0.000 1.034 82 D HN -0.858 7.196 8.370 -0.424 0.061 0.518 83 F N 7.276 126.956 119.950 -0.450 0.000 2.095 83 F HA -0.325 4.129 4.527 -0.313 -0.115 0.298 83 F C 0.980 176.552 175.800 -0.380 0.000 1.104 83 F CA 3.314 61.044 58.000 -0.450 0.000 1.232 83 F CB 0.304 38.922 39.000 -0.637 0.000 0.987 83 F HN -0.562 7.629 8.300 -0.182 0.000 0.475 84 F N -2.481 117.297 119.950 -0.287 0.000 2.095 84 F HA -0.432 3.825 4.527 -0.450 0.000 0.298 84 F C 2.033 177.677 175.800 -0.259 0.000 1.104 84 F CA 3.886 61.709 58.000 -0.294 0.000 1.232 84 F CB -0.951 37.988 39.000 -0.102 0.000 0.987 84 F HN -0.528 7.576 8.300 -0.398 -0.043 0.475 85 K N -2.489 117.808 120.400 -0.172 0.000 2.217 85 K HA -0.303 3.918 4.320 -0.165 0.000 0.202 85 K C 1.803 178.342 176.600 -0.102 0.000 1.051 85 K CA 2.899 59.065 56.287 -0.201 0.000 0.952 85 K CB -0.031 32.269 32.500 -0.335 0.000 0.736 85 K HN -0.647 7.754 8.250 -0.186 -0.263 0.453 86 S N -0.388 115.171 115.700 -0.236 0.000 2.447 86 S HA -0.199 4.189 4.470 -0.136 0.000 0.233 86 S C 1.275 175.749 174.600 -0.210 0.000 1.006 86 S CA 2.747 60.819 58.200 -0.214 0.000 0.957 86 S CB -0.502 62.549 63.200 -0.249 0.000 0.773 86 S HN -0.685 7.317 8.310 -0.312 0.120 0.507 87 A N 0.676 123.319 122.820 -0.295 0.000 2.208 87 A HA 0.066 4.281 4.320 -0.176 0.000 0.209 87 A C -0.763 176.826 177.584 0.008 0.000 1.161 87 A CA 0.646 52.574 52.037 -0.182 0.000 0.782 87 A CB 0.251 19.104 19.000 -0.245 0.000 0.816 87 A HN -0.688 7.193 8.150 -0.381 0.040 0.477 88 M N -1.964 117.683 119.600 0.078 0.000 2.274 88 M HA 0.322 4.921 4.480 0.198 0.000 0.344 88 M C -1.497 174.853 176.300 0.083 0.000 1.161 88 M CA -3.502 51.911 55.300 0.189 0.000 1.126 88 M CB -0.954 31.911 32.600 0.443 0.000 1.522 88 M HN -0.680 7.464 8.290 0.054 0.178 0.461 89 P HA 0.185 4.818 4.420 0.356 0.000 0.245 89 P C 0.671 178.066 177.300 0.158 0.000 1.203 89 P CA 1.123 64.315 63.100 0.153 0.000 0.792 89 P CB 0.422 32.102 31.700 -0.034 0.000 0.997 90 E N -0.483 119.766 120.200 0.082 0.000 2.153 90 E HA -0.258 4.127 4.350 0.059 0.000 0.194 90 E C 0.882 177.516 176.600 0.058 0.000 0.988 90 E CA 1.843 58.280 56.400 0.062 0.000 0.811 90 E CB -0.121 29.604 29.700 0.042 0.000 0.746 90 E HN 0.044 8.440 8.360 0.060 0.000 0.466 91 G N -3.343 105.494 108.800 0.062 0.000 2.549 91 G HA2 -0.277 3.660 3.960 -0.034 0.000 0.404 91 G HA3 -0.277 3.768 3.960 -0.057 -0.119 0.404 91 G C -2.338 172.614 174.900 0.087 0.000 1.292 91 G CA -0.483 44.614 45.100 -0.005 0.000 0.935 91 G HN -0.420 7.908 8.290 0.077 0.008 0.512 92 Y N -5.426 114.937 120.300 0.105 0.000 2.562 92 Y HA 0.784 5.535 4.550 0.149 -0.111 0.345 92 Y C -2.085 173.903 175.900 0.147 0.000 1.045 92 Y CA -2.403 55.793 58.100 0.160 0.000 1.028 92 Y CB 3.048 41.675 38.460 0.277 0.000 1.297 92 Y HN 0.027 8.088 8.280 -0.365 0.000 0.463 93 V N 0.883 121.013 119.914 0.361 0.000 2.465 93 V HA 0.394 4.834 4.120 0.202 -0.198 0.279 93 V C -1.138 175.158 176.094 0.337 0.000 1.045 93 V CA -1.146 61.309 62.300 0.259 0.000 0.938 93 V CB 0.659 32.577 31.823 0.160 0.000 0.986 93 V HN 0.415 8.820 8.190 0.358 0.000 0.467 94 Q N 7.710 127.693 119.800 0.304 0.000 2.333 94 Q HA 0.581 5.232 4.340 0.232 -0.172 0.268 94 Q C -1.526 174.567 176.000 0.156 0.000 1.007 94 Q CA -1.771 54.191 55.803 0.266 0.000 0.810 94 Q CB 3.041 31.997 28.738 0.363 0.000 1.264 94 Q HN 0.609 9.033 8.270 0.256 0.000 0.452 95 E N 8.031 128.286 120.200 0.092 0.000 2.199 95 E HA 0.778 5.363 4.350 0.075 -0.190 0.269 95 E C -1.231 175.385 176.600 0.025 0.000 0.899 95 E CA -1.501 54.932 56.400 0.055 0.000 0.772 95 E CB 3.753 33.469 29.700 0.026 0.000 1.155 95 E HN 0.523 8.925 8.360 0.071 0.000 0.408 96 M N 2.792 122.422 119.600 0.049 0.000 2.518 96 M HA 0.774 5.443 4.480 -0.018 -0.200 0.300 96 M C -0.944 175.374 176.300 0.030 0.000 1.175 96 M CA -1.001 54.317 55.300 0.031 0.000 0.890 96 M CB 5.182 37.837 32.600 0.092 0.000 1.710 96 M HN 0.131 8.462 8.290 0.068 0.000 0.453 97 T N 4.692 119.249 114.554 0.005 0.000 2.770 97 T HA 0.635 5.167 4.350 0.025 -0.167 0.283 97 T C -1.062 173.547 174.700 -0.151 0.000 0.988 97 T CA -0.246 61.853 62.100 -0.003 0.000 0.957 97 T CB 1.200 70.101 68.868 0.055 0.000 0.930 97 T HN 0.466 8.705 8.240 -0.001 0.000 0.443 98 I N 9.000 129.444 120.570 -0.210 0.000 2.390 98 I HA 0.536 4.477 4.170 -0.724 -0.206 0.283 98 I C -1.414 174.425 176.117 -0.463 0.000 1.016 98 I CA -1.410 59.566 61.300 -0.538 0.000 1.151 98 I CB 1.078 38.697 38.000 -0.635 0.000 1.293 98 I HN 0.841 9.008 8.210 -0.071 0.000 0.458 99 S N 7.914 123.343 115.700 -0.452 0.000 2.423 99 S HA 0.326 4.672 4.470 -0.206 0.000 0.317 99 S C -0.865 173.515 174.600 -0.367 0.000 1.065 99 S CA -0.588 57.434 58.200 -0.296 0.000 1.111 99 S CB 0.206 63.293 63.200 -0.188 0.000 0.968 99 S HN 0.473 8.504 8.310 -0.465 0.000 0.474 100 F N 7.148 126.999 119.950 -0.165 0.000 2.444 100 F HA 0.164 4.829 4.527 -0.058 -0.173 0.360 100 F C 0.346 176.089 175.800 -0.095 0.000 1.106 100 F CA -0.061 57.880 58.000 -0.098 0.000 1.170 100 F CB 0.524 39.493 39.000 -0.052 0.000 1.113 100 F HN 0.196 8.501 8.300 0.008 0.000 0.521 101 K N 5.864 126.299 120.400 0.058 0.000 2.484 101 K HA -0.352 3.959 4.320 -0.014 0.000 0.280 101 K C -0.088 176.532 176.600 0.033 0.000 1.013 101 K CA 2.190 58.488 56.287 0.018 0.000 1.029 101 K CB 0.449 32.956 32.500 0.011 0.000 0.902 101 K HN -0.199 8.079 8.250 0.047 0.000 0.481 102 D N 1.445 121.844 120.400 -0.002 0.000 3.012 102 D HA -0.329 4.299 4.640 -0.020 0.000 0.222 102 D C -1.513 174.776 176.300 -0.018 0.000 1.167 102 D CA 1.828 55.822 54.000 -0.008 0.000 0.854 102 D CB -0.711 40.092 40.800 0.005 0.000 1.107 102 D HN 0.449 8.810 8.370 -0.016 0.000 0.421 103 D N -3.390 116.985 120.400 -0.042 0.000 3.309 103 D HA 0.189 4.763 4.640 -0.111 0.000 0.335 103 D C -1.123 174.995 176.300 -0.303 0.000 1.393 103 D CA -1.147 52.785 54.000 -0.114 0.000 0.963 103 D CB 2.827 43.617 40.800 -0.017 0.000 1.431 103 D HN -0.474 7.832 8.370 -0.036 0.042 0.583 104 G N -2.516 105.799 108.800 -0.808 0.000 2.508 104 G HA2 0.093 3.631 3.960 -0.704 0.000 0.278 104 G HA3 0.093 2.849 3.960 -2.178 -0.103 0.278 104 G C -2.157 172.254 174.900 -0.814 0.000 1.389 104 G CA -0.635 43.715 45.100 -1.250 0.000 1.050 104 G HN -0.068 7.674 8.290 -0.912 0.000 0.522 105 N N -3.699 114.705 118.700 -0.493 0.000 2.242 105 N HA 0.796 5.762 4.740 0.124 -0.151 0.292 105 N C -1.484 174.291 175.510 0.442 0.000 1.125 105 N CA -1.281 51.794 53.050 0.043 0.000 0.783 105 N CB 3.724 42.201 38.487 -0.016 0.000 1.558 105 N HN -0.260 7.794 8.380 -0.544 0.000 0.472 106 Y N -1.451 119.077 120.300 0.380 0.000 2.334 106 Y HA 0.514 5.422 4.550 0.301 -0.177 0.328 106 Y C 0.150 176.124 175.900 0.123 0.000 1.130 106 Y CA -3.206 55.063 58.100 0.281 0.000 1.163 106 Y CB 1.575 40.212 38.460 0.295 0.000 1.207 106 Y HN 0.327 8.807 8.280 0.334 0.000 0.471 107 K N 1.935 122.493 120.400 0.263 0.000 2.323 107 K HA 0.908 5.500 4.320 0.132 -0.193 0.259 107 K C -0.626 176.043 176.600 0.115 0.000 0.947 107 K CA -1.497 54.878 56.287 0.147 0.000 0.819 107 K CB 3.064 35.626 32.500 0.105 0.000 1.109 107 K HN 0.823 9.234 8.250 0.270 0.000 0.429 108 T N 0.737 115.350 114.554 0.099 0.000 2.908 108 T HA 0.905 5.474 4.350 0.055 -0.185 0.290 108 T C -1.103 173.639 174.700 0.069 0.000 1.034 108 T CA -2.565 59.582 62.100 0.078 0.000 1.010 108 T CB 3.307 72.238 68.868 0.104 0.000 1.068 108 T HN 0.643 8.942 8.240 0.098 0.000 0.481 109 R N 3.372 123.906 120.500 0.057 0.000 2.514 109 R HA 0.666 5.200 4.340 0.074 -0.149 0.296 109 R C -2.922 173.416 176.300 0.063 0.000 1.012 109 R CA -0.760 55.377 56.100 0.062 0.000 0.897 109 R CB 3.816 34.144 30.300 0.047 0.000 1.184 109 R HN 0.302 8.598 8.270 0.044 0.000 0.440 110 A N 6.111 128.984 122.820 0.088 0.000 2.401 110 A HA 1.110 5.670 4.320 0.060 -0.204 0.310 110 A C -2.083 175.550 177.584 0.080 0.000 1.075 110 A CA -2.100 49.987 52.037 0.083 0.000 0.746 110 A CB 4.257 23.323 19.000 0.110 0.000 1.277 110 A HN 0.884 9.097 8.150 0.105 0.000 0.425 111 E N 1.847 122.071 120.200 0.039 0.000 2.165 111 E HA 0.643 5.164 4.350 0.020 -0.159 0.266 111 E C -1.185 175.375 176.600 -0.067 0.000 0.889 111 E CA -1.490 54.912 56.400 0.004 0.000 0.756 111 E CB 3.069 32.774 29.700 0.008 0.000 1.131 111 E HN 0.192 8.571 8.360 0.032 0.000 0.411 112 V N 6.039 125.829 119.914 -0.206 0.000 2.357 112 V HA 0.829 5.071 4.120 -0.201 -0.243 0.284 112 V C -1.636 174.249 176.094 -0.348 0.000 1.018 112 V CA -1.371 60.727 62.300 -0.336 0.000 0.841 112 V CB 0.848 32.295 31.823 -0.625 0.000 0.991 112 V HN 0.524 8.571 8.190 -0.239 0.000 0.437 113 K N 3.491 123.763 120.400 -0.213 0.000 2.615 113 K HA 0.624 4.885 4.320 -0.099 0.000 0.291 113 K C -1.835 174.683 176.600 -0.138 0.000 1.017 113 K CA -1.911 54.306 56.287 -0.117 0.000 0.882 113 K CB 3.924 36.403 32.500 -0.035 0.000 1.522 113 K HN 0.293 8.428 8.250 -0.192 0.000 0.412 114 F N -0.362 119.569 119.950 -0.032 0.000 2.412 114 F HA 0.341 5.048 4.527 -0.021 -0.192 0.348 114 F C 0.933 176.720 175.800 -0.022 0.000 1.102 114 F CA 0.571 58.553 58.000 -0.030 0.000 1.196 114 F CB 1.068 40.035 39.000 -0.055 0.000 1.144 114 F HN -0.281 8.191 8.300 0.287 0.000 0.541 115 E N 4.119 124.402 120.200 0.139 0.000 2.183 115 E HA 0.267 4.669 4.350 0.088 0.000 0.250 115 E C 0.356 177.022 176.600 0.109 0.000 0.901 115 E CA -1.410 55.046 56.400 0.093 0.000 0.741 115 E CB 0.331 30.056 29.700 0.042 0.000 1.182 115 E HN 0.269 8.688 8.360 0.099 0.000 0.425 116 G N 7.193 116.052 108.800 0.099 0.000 2.591 116 G HA2 -0.414 3.570 3.960 0.041 0.000 0.298 116 G HA3 -0.414 3.581 3.960 0.059 0.000 0.298 116 G C -0.776 174.203 174.900 0.131 0.000 1.195 116 G CA 1.060 46.205 45.100 0.075 0.000 0.989 116 G HN 0.533 8.874 8.290 0.084 0.000 0.551 117 D N 5.041 125.508 120.400 0.112 0.000 2.325 117 D HA 0.115 4.825 4.640 0.116 0.000 0.225 117 D C -0.543 175.925 176.300 0.281 0.000 1.096 117 D CA 0.482 54.572 54.000 0.150 0.000 0.844 117 D CB 0.073 40.903 40.800 0.050 0.000 0.925 117 D HN 0.248 8.664 8.370 0.077 0.000 0.513 118 T N 2.546 117.240 114.554 0.233 0.000 2.794 118 T HA 0.147 4.672 4.350 0.086 -0.123 0.280 118 T C -1.736 172.902 174.700 -0.102 0.000 0.987 118 T CA 0.021 62.173 62.100 0.087 0.000 0.993 118 T CB 2.109 71.000 68.868 0.037 0.000 0.939 118 T HN -0.606 7.680 8.240 0.214 0.082 0.449 119 L N 8.029 129.087 121.223 -0.276 0.000 2.281 119 L HA 0.220 4.174 4.340 -0.844 -0.120 0.285 119 L C -2.425 174.343 176.870 -0.171 0.000 1.074 119 L CA -0.629 53.917 54.840 -0.491 0.000 0.817 119 L CB 0.725 42.587 42.059 -0.329 0.000 1.168 119 L HN 0.326 8.481 8.230 -0.126 0.000 0.434 120 V N 7.322 127.136 119.914 -0.166 0.000 2.495 120 V HA 0.489 4.806 4.120 -0.035 -0.218 0.298 120 V C -1.858 174.204 176.094 -0.053 0.000 1.031 120 V CA -1.418 60.842 62.300 -0.067 0.000 0.871 120 V CB 2.753 34.548 31.823 -0.046 0.000 0.988 120 V HN 0.638 8.684 8.190 -0.239 0.000 0.432 121 N N 7.449 126.151 118.700 0.004 0.000 2.518 121 N HA 0.421 5.310 4.740 -0.006 -0.153 0.254 121 N C -1.880 173.656 175.510 0.044 0.000 0.979 121 N CA -1.302 51.764 53.050 0.027 0.000 0.930 121 N CB 2.156 40.691 38.487 0.080 0.000 1.152 121 N HN 0.356 8.750 8.380 0.023 0.000 0.505 122 R N 5.640 126.155 120.500 0.026 0.000 2.338 122 R HA 0.734 5.281 4.340 0.036 -0.185 0.317 122 R C -1.447 174.872 176.300 0.031 0.000 0.968 122 R CA -0.953 55.163 56.100 0.028 0.000 0.849 122 R CB 2.231 32.539 30.300 0.014 0.000 1.128 122 R HN 0.170 8.446 8.270 0.011 0.000 0.448 123 I N 4.040 124.626 120.570 0.027 0.000 2.582 123 I HA 0.544 4.902 4.170 0.031 -0.169 0.292 123 I C -1.615 174.492 176.117 -0.016 0.000 1.066 123 I CA -1.018 60.295 61.300 0.021 0.000 1.053 123 I CB 4.117 42.139 38.000 0.035 0.000 1.241 123 I HN 0.764 8.989 8.210 0.025 0.000 0.421 124 E N 4.293 124.482 120.200 -0.018 0.000 2.171 124 E HA 0.784 5.268 4.350 -0.088 -0.187 0.271 124 E C -1.663 174.904 176.600 -0.054 0.000 0.916 124 E CA -1.601 54.767 56.400 -0.053 0.000 0.774 124 E CB 2.910 32.588 29.700 -0.035 0.000 1.128 124 E HN 0.331 8.692 8.360 0.002 0.000 0.403 125 L N 5.040 126.192 121.223 -0.118 0.000 2.362 125 L HA 0.725 5.188 4.340 -0.052 -0.155 0.275 125 L C -2.658 174.142 176.870 -0.117 0.000 0.998 125 L CA -1.275 53.494 54.840 -0.118 0.000 0.820 125 L CB 3.775 45.715 42.059 -0.198 0.000 1.270 125 L HN 0.490 8.618 8.230 -0.171 0.000 0.415 126 K N 6.428 126.816 120.400 -0.021 0.000 2.463 126 K HA 0.789 5.282 4.320 0.001 -0.172 0.255 126 K C -1.329 175.367 176.600 0.162 0.000 0.942 126 K CA -1.867 54.442 56.287 0.036 0.000 0.814 126 K CB 3.714 36.243 32.500 0.048 0.000 1.122 126 K HN 0.662 8.922 8.250 0.017 0.000 0.425 127 G N 5.260 114.196 108.800 0.226 0.000 2.461 127 G HA2 0.929 5.527 3.960 0.683 0.000 0.323 127 G HA3 0.929 5.278 3.960 0.648 0.000 0.323 127 G C -2.371 172.805 174.900 0.461 0.000 1.229 127 G CA -1.476 43.952 45.100 0.545 0.000 0.941 127 G HN 0.678 8.954 8.290 0.150 0.104 0.477 128 I N -2.603 118.222 120.570 0.426 0.000 2.969 128 I HA 0.744 5.070 4.170 0.261 0.000 0.307 128 I C -1.989 174.153 176.117 0.041 0.000 1.149 128 I CA -2.237 59.199 61.300 0.226 0.000 1.008 128 I CB 4.188 42.257 38.000 0.114 0.000 1.232 128 I HN 0.324 8.796 8.210 0.437 0.000 0.435 129 D N -2.274 118.143 120.400 0.029 0.000 2.870 129 D HA -0.380 4.250 4.640 -0.016 0.000 0.228 129 D C -1.203 174.971 176.300 -0.209 0.000 1.147 129 D CA 1.864 55.816 54.000 -0.079 0.000 0.757 129 D CB -1.917 38.816 40.800 -0.113 0.000 1.091 129 D HN 0.317 8.742 8.370 0.093 0.000 0.429 130 F N -1.842 118.122 119.950 0.023 0.000 2.429 130 F HA -0.030 4.675 4.527 -0.030 -0.196 0.348 130 F C 1.190 176.983 175.800 -0.012 0.000 1.109 130 F CA 0.970 58.962 58.000 -0.013 0.000 1.232 130 F CB 1.206 40.186 39.000 -0.034 0.000 1.157 130 F HN -0.759 7.893 8.300 0.237 -0.210 0.564 131 K N 3.561 124.034 120.400 0.121 0.000 2.322 131 K HA 0.019 4.372 4.320 0.056 0.000 0.283 131 K C 1.431 178.077 176.600 0.076 0.000 1.042 131 K CA -0.119 56.210 56.287 0.070 0.000 0.958 131 K CB 0.362 32.881 32.500 0.032 0.000 0.984 131 K HN 0.286 8.960 8.250 0.108 -0.359 0.473 132 E N 4.313 124.550 120.200 0.062 0.000 2.118 132 E HA -0.350 4.038 4.350 0.063 0.000 0.195 132 E C 0.251 176.867 176.600 0.026 0.000 0.992 132 E CA 3.258 59.689 56.400 0.052 0.000 0.804 132 E CB 0.198 29.929 29.700 0.052 0.000 0.741 132 E HN 0.536 8.930 8.360 0.057 0.000 0.458 133 D N -4.947 115.465 120.400 0.021 0.000 2.559 133 D HA 0.030 4.675 4.640 0.008 0.000 0.234 133 D C -1.007 175.297 176.300 0.006 0.000 1.226 133 D CA -1.212 52.795 54.000 0.011 0.000 0.830 133 D CB -0.171 40.637 40.800 0.013 0.000 1.028 133 D HN -0.311 8.057 8.370 0.025 0.017 0.492 134 G N -1.578 107.225 108.800 0.006 0.000 2.588 134 G HA2 0.011 3.975 3.960 0.006 0.000 0.278 134 G HA3 0.011 4.133 3.960 0.017 -0.153 0.278 134 G C 0.601 175.483 174.900 -0.030 0.000 1.307 134 G CA -0.759 44.343 45.100 0.002 0.000 1.016 134 G HN -0.633 7.477 8.290 0.014 0.189 0.503 135 N N -0.601 118.080 118.700 -0.032 0.000 2.381 135 N HA -0.182 4.533 4.740 -0.042 0.000 0.182 135 N C 1.779 177.193 175.510 -0.160 0.000 1.025 135 N CA 2.765 55.779 53.050 -0.059 0.000 0.888 135 N CB 0.037 38.512 38.487 -0.020 0.000 0.965 135 N HN 0.182 8.555 8.380 -0.011 0.000 0.438 136 I N 0.053 120.489 120.570 -0.224 0.000 2.272 136 I HA -0.262 3.630 4.170 -0.464 0.000 0.235 136 I C 1.960 177.768 176.117 -0.515 0.000 1.071 136 I CA 3.573 64.614 61.300 -0.431 0.000 1.374 136 I CB 0.198 37.840 38.000 -0.596 0.000 1.121 136 I HN -0.842 7.242 8.210 -0.146 0.038 0.420 137 L N -3.503 117.504 121.223 -0.361 0.000 2.275 137 L HA -0.143 3.896 4.340 -0.502 0.000 0.215 137 L C 1.506 178.245 176.870 -0.218 0.000 1.119 137 L CA 1.620 56.256 54.840 -0.339 0.000 0.790 137 L CB -0.254 41.712 42.059 -0.155 0.000 0.919 137 L HN 0.014 8.101 8.230 -0.239 0.000 0.443 138 G N -6.789 101.927 108.800 -0.140 0.000 2.920 138 G HA2 -0.082 3.889 3.960 0.018 0.000 0.208 138 G HA3 -0.082 3.958 3.960 -0.020 -0.091 0.208 138 G C -0.380 174.542 174.900 0.036 0.000 1.159 138 G CA -0.371 44.712 45.100 -0.027 0.000 0.784 138 G HN -0.623 7.557 8.290 -0.144 0.024 0.535 139 H N -2.152 116.854 119.070 -0.108 0.000 2.672 139 H HA -0.321 4.168 4.556 -0.112 0.000 0.325 139 H C -0.324 174.975 175.328 -0.049 0.000 1.158 139 H CA 1.262 57.254 56.048 -0.094 0.000 1.134 139 H CB -3.062 26.641 29.762 -0.099 0.000 1.553 139 H HN -0.324 7.565 8.280 -0.359 0.175 0.419 140 K N -4.503 115.906 120.400 0.016 0.000 2.387 140 K HA 0.188 4.534 4.320 0.043 0.000 0.203 140 K C -1.197 175.422 176.600 0.032 0.000 1.030 140 K CA -0.042 56.260 56.287 0.026 0.000 1.099 140 K CB 1.490 33.996 32.500 0.011 0.000 0.863 140 K HN -0.292 7.932 8.250 -0.043 0.000 0.529 141 L N -0.349 120.889 121.223 0.025 0.000 2.312 141 L HA 0.147 4.643 4.340 0.055 -0.123 0.281 141 L C 0.086 177.018 176.870 0.103 0.000 1.070 141 L CA -0.592 54.276 54.840 0.047 0.000 0.805 141 L CB 0.720 42.770 42.059 -0.016 0.000 1.174 141 L HN -0.499 7.671 8.230 0.008 0.064 0.434 142 E N 1.286 121.555 120.200 0.115 0.000 2.404 142 E HA -0.152 4.288 4.350 0.150 0.000 0.261 142 E C -0.184 176.544 176.600 0.213 0.000 1.074 142 E CA -0.399 56.090 56.400 0.149 0.000 0.917 142 E CB 0.965 30.736 29.700 0.119 0.000 0.965 142 E HN -0.141 8.280 8.360 0.102 0.000 0.433 143 Y N 4.789 125.148 120.300 0.100 0.000 2.667 143 Y HA -0.195 4.445 4.550 0.149 0.000 0.340 143 Y C -1.909 174.067 175.900 0.127 0.000 1.303 143 Y CA 0.392 58.563 58.100 0.119 0.000 1.769 143 Y CB -1.776 36.734 38.460 0.083 0.000 1.804 143 Y HN 0.377 8.843 8.280 0.310 0.000 0.451 144 N N 2.304 121.013 118.700 0.015 0.000 3.308 144 N HA 0.042 4.759 4.740 -0.038 0.000 0.276 144 N C -2.929 172.685 175.510 0.175 0.000 1.533 144 N CA -0.637 52.436 53.050 0.039 0.000 0.878 144 N CB 1.546 40.078 38.487 0.074 0.000 1.566 144 N HN -0.664 7.717 8.380 0.080 0.047 0.546 145 Y N -1.983 118.332 120.300 0.025 0.000 2.390 145 Y HA 0.090 4.725 4.550 0.143 0.000 0.324 145 Y C -1.624 174.310 175.900 0.056 0.000 1.151 145 Y CA 0.121 58.271 58.100 0.082 0.000 1.053 145 Y CB 2.853 41.353 38.460 0.067 0.000 1.277 145 Y HN 0.108 8.485 8.280 0.162 0.000 0.432 146 N N 5.001 123.650 118.700 -0.085 0.000 2.445 146 N HA 0.146 4.827 4.740 -0.098 0.000 0.264 146 N C -0.887 174.451 175.510 -0.288 0.000 1.227 146 N CA -0.233 52.711 53.050 -0.178 0.000 0.963 146 N CB 1.614 39.930 38.487 -0.285 0.000 1.188 146 N HN 0.454 8.677 8.380 -0.262 0.000 0.491 147 S N -0.517 114.983 115.700 -0.332 0.000 2.545 147 S HA 0.173 4.740 4.470 -0.104 -0.159 0.275 147 S C -0.660 173.579 174.600 -0.601 0.000 1.299 147 S CA 0.577 58.607 58.200 -0.283 0.000 1.048 147 S CB 0.996 64.127 63.200 -0.114 0.000 0.938 147 S HN 0.125 8.282 8.310 -0.256 0.000 0.496 148 H N 4.392 123.460 119.070 -0.003 0.000 2.928 148 H HA 0.284 4.816 4.556 -0.041 0.000 0.371 148 H C -1.615 173.642 175.328 -0.117 0.000 1.186 148 H CA -0.490 55.527 56.048 -0.051 0.000 1.134 148 H CB 4.877 34.608 29.762 -0.050 0.000 1.824 148 H HN 0.140 8.406 8.280 -0.023 0.000 0.554 149 N N 1.276 119.935 118.700 -0.067 0.000 2.419 149 N HA 0.500 5.343 4.740 -0.197 -0.221 0.277 149 N C -1.028 174.175 175.510 -0.513 0.000 1.006 149 N CA -0.376 52.474 53.050 -0.333 0.000 0.923 149 N CB 1.581 39.636 38.487 -0.720 0.000 1.140 149 N HN 0.235 8.611 8.380 -0.006 0.000 0.488 150 V N 4.446 124.058 119.914 -0.503 0.000 2.348 150 V HA 0.078 3.879 4.120 -0.532 0.000 0.270 150 V C -1.130 174.762 176.094 -0.336 0.000 1.037 150 V CA -0.950 61.036 62.300 -0.524 0.000 0.872 150 V CB -0.401 31.052 31.823 -0.617 0.000 1.002 150 V HN 0.601 8.568 8.190 -0.371 0.000 0.464 151 Y N 8.163 128.511 120.300 0.079 0.000 2.365 151 Y HA 0.127 4.843 4.550 0.065 -0.127 0.340 151 Y C -0.471 175.447 175.900 0.030 0.000 1.016 151 Y CA -0.114 58.026 58.100 0.066 0.000 1.196 151 Y CB 0.091 38.593 38.460 0.072 0.000 1.167 151 Y HN -0.221 8.177 8.280 0.197 0.000 0.509 152 I N 4.312 124.886 120.570 0.006 0.000 2.412 152 I HA 0.728 5.085 4.170 0.011 -0.180 0.296 152 I C -0.534 175.561 176.117 -0.036 0.000 0.987 152 I CA -1.195 60.056 61.300 -0.082 0.000 1.180 152 I CB 2.501 40.317 38.000 -0.307 0.000 1.340 152 I HN 0.562 8.733 8.210 -0.065 0.000 0.455 153 T N 2.015 116.571 114.554 0.004 0.000 2.906 153 T HA 0.616 4.993 4.350 0.044 0.000 0.295 153 T C -1.323 173.364 174.700 -0.020 0.000 1.061 153 T CA -2.428 59.686 62.100 0.023 0.000 1.000 153 T CB 3.336 72.232 68.868 0.046 0.000 1.103 153 T HN 0.522 8.762 8.240 0.000 0.000 0.486 154 A N 2.003 124.821 122.820 -0.003 0.000 2.407 154 A HA 0.004 4.264 4.320 -0.100 0.000 0.248 154 A C -0.810 176.745 177.584 -0.049 0.000 1.082 154 A CA -0.517 51.494 52.037 -0.044 0.000 0.785 154 A CB 0.609 19.608 19.000 -0.001 0.000 1.020 154 A HN 0.533 8.700 8.150 0.028 0.000 0.489 155 D N 3.037 123.382 120.400 -0.091 0.000 2.458 155 D HA 0.209 4.831 4.640 -0.030 0.000 0.258 155 D C 0.270 176.540 176.300 -0.049 0.000 1.134 155 D CA -1.348 52.616 54.000 -0.061 0.000 0.915 155 D CB 0.432 41.184 40.800 -0.080 0.000 1.028 155 D HN -0.085 8.094 8.370 -0.145 0.104 0.508 156 K N 4.034 124.421 120.400 -0.020 0.000 2.097 156 K HA -0.335 3.979 4.320 -0.010 0.000 0.206 156 K C 2.270 178.868 176.600 -0.003 0.000 1.049 156 K CA 3.353 59.635 56.287 -0.008 0.000 0.933 156 K CB 0.104 32.607 32.500 0.004 0.000 0.717 156 K HN 0.478 8.721 8.250 -0.012 0.000 0.442 157 Q N -1.772 118.027 119.800 -0.002 0.000 2.297 157 Q HA -0.139 4.205 4.340 0.007 0.000 0.204 157 Q C 1.171 177.173 176.000 0.004 0.000 0.962 157 Q CA 2.404 58.209 55.803 0.004 0.000 0.879 157 Q CB -0.474 28.268 28.738 0.007 0.000 0.947 157 Q HN -0.107 8.222 8.270 -0.003 -0.061 0.462 158 K N -3.069 117.326 120.400 -0.007 0.000 2.387 158 K HA 0.103 4.427 4.320 0.006 0.000 0.198 158 K C -0.956 175.642 176.600 -0.002 0.000 1.022 158 K CA -1.065 55.218 56.287 -0.006 0.000 1.128 158 K CB -0.193 32.294 32.500 -0.022 0.000 0.853 158 K HN -0.706 7.686 8.250 -0.016 -0.152 0.523 159 N N -1.212 117.488 118.700 -0.001 0.000 2.735 159 N HA -0.344 4.412 4.740 0.026 0.000 0.248 159 N C -1.057 174.467 175.510 0.023 0.000 1.083 159 N CA 1.014 54.081 53.050 0.028 0.000 0.703 159 N CB -1.034 37.489 38.487 0.060 0.000 1.005 159 N HN -0.227 7.947 8.380 -0.005 0.203 0.550 160 G N -5.318 103.403 108.800 -0.132 0.000 2.896 160 G HA2 0.699 4.298 3.960 -0.602 0.000 0.247 160 G HA3 0.699 4.580 3.960 -0.440 -0.185 0.247 160 G C -2.874 171.665 174.900 -0.602 0.000 1.187 160 G CA -0.117 44.699 45.100 -0.473 0.000 0.837 160 G HN -0.358 7.853 8.290 -0.121 0.006 0.559 161 I N -6.139 113.976 120.570 -0.758 0.000 3.074 161 I HA 0.901 4.964 4.170 -0.360 -0.109 0.310 161 I C -2.359 173.568 176.117 -0.316 0.000 1.153 161 I CA -2.044 58.944 61.300 -0.520 0.000 0.993 161 I CB 4.475 42.075 38.000 -0.666 0.000 1.237 161 I HN -0.020 7.685 8.210 -0.842 0.000 0.443 162 K N -0.523 119.774 120.400 -0.172 0.000 2.328 162 K HA 0.916 5.311 4.320 -0.165 -0.174 0.246 162 K C -1.621 174.980 176.600 0.001 0.000 0.955 162 K CA -1.984 54.244 56.287 -0.098 0.000 0.817 162 K CB 4.608 37.109 32.500 0.002 0.000 1.208 162 K HN 0.413 8.577 8.250 -0.143 0.000 0.432 163 A N 0.727 123.582 122.820 0.059 0.000 2.475 163 A HA 1.032 5.691 4.320 0.204 -0.217 0.301 163 A C -2.225 175.547 177.584 0.313 0.000 1.059 163 A CA -2.057 50.110 52.037 0.218 0.000 0.710 163 A CB 4.054 23.231 19.000 0.295 0.000 1.288 163 A HN 0.712 8.745 8.150 -0.022 0.105 0.408 164 N N 0.878 119.820 118.700 0.405 0.000 2.260 164 N HA 1.103 6.197 4.740 0.256 -0.200 0.293 164 N C -1.527 174.297 175.510 0.523 0.000 1.058 164 N CA -0.478 52.781 53.050 0.349 0.000 0.824 164 N CB 4.670 43.306 38.487 0.248 0.000 1.551 164 N HN -0.128 8.499 8.380 0.412 0.000 0.475 165 F N -1.142 118.906 119.950 0.163 0.000 2.770 165 F HA 0.381 5.027 4.527 0.197 0.000 0.313 165 F C -3.142 172.689 175.800 0.051 0.000 1.154 165 F CA -0.509 57.565 58.000 0.122 0.000 0.923 165 F CB 1.790 40.808 39.000 0.030 0.000 1.301 165 F HN 0.312 8.566 8.300 -0.076 0.000 0.449 166 K N 0.217 120.713 120.400 0.160 0.000 2.450 166 K HA 0.415 4.842 4.320 -0.057 -0.142 0.257 166 K C -1.503 175.064 176.600 -0.055 0.000 0.953 166 K CA -1.177 55.117 56.287 0.011 0.000 0.844 166 K CB 2.133 34.647 32.500 0.023 0.000 1.103 166 K HN 0.337 8.756 8.250 0.282 0.000 0.429 167 I N 4.104 124.537 120.570 -0.228 0.000 2.365 167 I HA 0.011 3.618 4.170 -0.938 0.000 0.291 167 I C -0.383 175.516 176.117 -0.362 0.000 1.004 167 I CA -2.717 58.246 61.300 -0.561 0.000 1.311 167 I CB 0.519 38.144 38.000 -0.624 0.000 1.401 167 I HN 0.246 8.360 8.210 -0.160 0.000 0.491 168 R N 7.153 127.528 120.500 -0.208 0.000 2.280 168 R HA 0.174 4.475 4.340 -0.065 0.000 0.326 168 R C -1.006 175.205 176.300 -0.149 0.000 1.080 168 R CA -1.156 54.900 56.100 -0.074 0.000 1.002 168 R CB 0.020 30.354 30.300 0.057 0.000 1.136 168 R HN -0.215 8.014 8.270 -0.067 0.000 0.509 169 H N 5.657 124.728 119.070 0.001 0.000 2.562 169 H HA 0.167 4.681 4.556 -0.070 0.000 0.314 169 H C -0.697 174.643 175.328 0.020 0.000 1.079 169 H CA -0.729 55.316 56.048 -0.005 0.000 1.349 169 H CB 1.614 31.416 29.762 0.066 0.000 1.432 169 H HN 0.253 8.530 8.280 -0.005 0.000 0.479 170 N N 4.980 123.759 118.700 0.132 0.000 2.475 170 N HA 0.033 4.819 4.740 0.077 0.000 0.267 170 N C -0.598 174.970 175.510 0.098 0.000 1.169 170 N CA 0.646 53.751 53.050 0.092 0.000 0.947 170 N CB 0.516 39.045 38.487 0.069 0.000 1.061 170 N HN 0.506 8.957 8.380 0.118 0.000 0.466 171 I N 2.600 123.217 120.570 0.078 0.000 2.499 171 I HA 0.154 4.492 4.170 0.065 -0.129 0.296 171 I C 1.589 177.739 176.117 0.055 0.000 0.992 171 I CA -0.334 61.005 61.300 0.064 0.000 1.297 171 I CB 1.069 39.102 38.000 0.054 0.000 1.410 171 I HN 0.213 8.466 8.210 0.072 0.000 0.507 172 E N 5.525 125.756 120.200 0.051 0.000 2.401 172 E HA -0.323 4.218 4.350 0.053 -0.160 0.199 172 E C -0.245 176.378 176.600 0.038 0.000 1.023 172 E CA 2.506 58.934 56.400 0.048 0.000 0.859 172 E CB -0.050 29.677 29.700 0.045 0.000 0.780 172 E HN 0.306 8.696 8.360 0.050 0.000 0.523 173 D N -4.184 116.237 120.400 0.034 0.000 2.340 173 D HA -0.054 4.602 4.640 0.026 0.000 0.217 173 D C 0.823 177.140 176.300 0.027 0.000 1.081 173 D CA -0.775 53.242 54.000 0.028 0.000 0.842 173 D CB -1.087 39.727 40.800 0.024 0.000 0.934 173 D HN -0.465 7.870 8.370 0.036 0.056 0.511 174 G N -0.697 108.122 108.800 0.031 0.000 2.194 174 G HA2 -0.396 3.582 3.960 0.030 0.000 0.236 174 G HA3 -0.396 3.579 3.960 0.025 0.000 0.236 174 G C -0.397 174.521 174.900 0.029 0.000 0.987 174 G CA -0.201 44.916 45.100 0.029 0.000 0.635 174 G HN -0.209 8.034 8.290 0.036 0.069 0.520 175 S N 0.569 116.288 115.700 0.032 0.000 2.671 175 S HA 0.311 4.798 4.470 0.028 0.000 0.272 175 S C -1.117 173.509 174.600 0.044 0.000 1.174 175 S CA -0.679 57.541 58.200 0.033 0.000 1.004 175 S CB 0.991 64.210 63.200 0.031 0.000 1.077 175 S HN -0.404 8.147 8.310 0.033 -0.222 0.553 176 V N -0.114 119.828 119.914 0.046 0.000 2.588 176 V HA 0.415 4.735 4.120 0.071 -0.157 0.304 176 V C -0.971 175.169 176.094 0.077 0.000 1.042 176 V CA -1.378 60.958 62.300 0.060 0.000 0.877 176 V CB 2.390 34.238 31.823 0.042 0.000 0.996 176 V HN -0.041 8.173 8.190 0.040 0.000 0.425 177 Q N 7.779 127.652 119.800 0.121 0.000 2.390 177 Q HA 0.233 4.650 4.340 0.129 0.000 0.249 177 Q C -1.413 174.691 176.000 0.173 0.000 0.996 177 Q CA -1.793 54.109 55.803 0.165 0.000 0.899 177 Q CB 0.713 29.582 28.738 0.218 0.000 1.216 177 Q HN 0.526 8.879 8.270 0.139 0.000 0.465 178 L N 8.298 129.580 121.223 0.099 0.000 2.380 178 L HA 0.332 4.838 4.340 -0.004 -0.168 0.273 178 L C -0.986 175.883 176.870 -0.002 0.000 1.138 178 L CA -0.202 54.653 54.840 0.026 0.000 0.832 178 L CB 1.337 43.394 42.059 -0.004 0.000 1.124 178 L HN 0.643 8.924 8.230 0.086 0.000 0.454 179 A N 3.979 126.727 122.820 -0.121 0.000 2.409 179 A HA 0.543 4.731 4.320 -0.507 -0.172 0.300 179 A C -1.761 175.680 177.584 -0.238 0.000 1.273 179 A CA -2.030 49.788 52.037 -0.365 0.000 0.774 179 A CB 2.172 20.877 19.000 -0.491 0.000 1.144 179 A HN 0.914 8.988 8.150 -0.126 0.000 0.472 180 D N 7.006 127.244 120.400 -0.271 0.000 2.351 180 D HA 0.104 4.665 4.640 -0.132 0.000 0.251 180 D C -1.010 175.115 176.300 -0.291 0.000 1.137 180 D CA 1.077 54.961 54.000 -0.194 0.000 0.879 180 D CB 1.656 42.359 40.800 -0.161 0.000 1.181 180 D HN -0.089 8.100 8.370 -0.302 0.000 0.448 181 H N 4.386 123.158 119.070 -0.497 0.000 2.481 181 H HA 0.617 5.106 4.556 -0.401 -0.174 0.333 181 H C -1.129 174.008 175.328 -0.318 0.000 1.066 181 H CA -1.076 54.617 56.048 -0.592 0.000 1.209 181 H CB 2.225 31.156 29.762 -1.384 0.000 1.445 181 H HN 0.761 8.897 8.280 -0.241 0.000 0.488 182 Y N 5.807 125.998 120.300 -0.181 0.000 2.328 182 Y HA 0.591 5.254 4.550 -0.053 -0.144 0.336 182 Y C -2.677 173.218 175.900 -0.009 0.000 0.960 182 Y CA -2.123 55.932 58.100 -0.075 0.000 1.134 182 Y CB 2.922 41.344 38.460 -0.063 0.000 1.166 182 Y HN 0.282 8.554 8.280 -0.013 0.000 0.464 183 Q N 8.081 127.686 119.800 -0.325 0.000 2.365 183 Q HA 0.853 5.281 4.340 -0.167 -0.188 0.269 183 Q C -1.664 174.108 176.000 -0.379 0.000 1.061 183 Q CA -2.096 53.582 55.803 -0.208 0.000 0.816 183 Q CB 4.552 33.355 28.738 0.108 0.000 1.325 183 Q HN 0.638 8.753 8.270 -0.259 0.000 0.446 184 Q N 4.719 124.361 119.800 -0.264 0.000 2.323 184 Q HA 0.687 5.035 4.340 -0.248 -0.157 0.271 184 Q C -1.542 174.396 176.000 -0.104 0.000 1.048 184 Q CA -1.255 54.412 55.803 -0.226 0.000 0.792 184 Q CB 4.645 33.238 28.738 -0.241 0.000 1.280 184 Q HN 0.664 8.825 8.270 -0.182 0.000 0.441 185 N N 3.951 122.553 118.700 -0.163 0.000 2.284 185 N HA 1.108 6.124 4.740 0.044 -0.249 0.300 185 N C -1.007 174.411 175.510 -0.153 0.000 1.047 185 N CA -0.863 52.122 53.050 -0.109 0.000 0.821 185 N CB 3.858 42.209 38.487 -0.226 0.000 1.337 185 N HN 0.519 8.751 8.380 -0.246 0.000 0.482 186 T N -2.290 112.322 114.554 0.097 0.000 2.912 186 T HA 0.563 4.962 4.350 0.082 0.000 0.299 186 T C -2.465 172.430 174.700 0.325 0.000 1.052 186 T CA -3.583 58.605 62.100 0.147 0.000 0.996 186 T CB 1.586 70.502 68.868 0.080 0.000 1.070 186 T HN 0.391 8.746 8.240 0.192 0.000 0.465 187 P HA 0.089 4.830 4.420 0.336 -0.119 0.275 187 P C -1.039 176.367 177.300 0.177 0.000 1.228 187 P CA -0.407 62.860 63.100 0.279 0.000 0.786 187 P CB 0.895 32.713 31.700 0.197 0.000 0.927 188 I N 0.242 120.900 120.570 0.147 0.000 2.480 188 I HA -0.159 4.069 4.170 0.096 0.000 0.251 188 I C 1.289 177.447 176.117 0.070 0.000 1.124 188 I CA 0.968 62.326 61.300 0.097 0.000 1.444 188 I CB 0.255 38.302 38.000 0.078 0.000 1.098 188 I HN 0.305 8.513 8.210 0.161 0.099 0.428 189 G N -0.246 108.591 108.800 0.063 0.000 2.580 189 G HA2 -0.126 3.856 3.960 0.038 0.000 0.278 189 G HA3 -0.126 3.855 3.960 0.036 0.000 0.278 189 G C -1.286 173.639 174.900 0.041 0.000 1.212 189 G CA -0.059 45.066 45.100 0.043 0.000 0.939 189 G HN -0.321 8.011 8.290 0.070 0.000 0.513 190 D N -2.542 117.875 120.400 0.028 0.000 2.363 190 D HA -0.010 4.649 4.640 0.032 0.000 0.214 190 D C 0.926 177.237 176.300 0.018 0.000 1.093 190 D CA -0.461 53.554 54.000 0.026 0.000 0.837 190 D CB 0.334 41.146 40.800 0.020 0.000 0.948 190 D HN -0.078 8.306 8.370 0.024 0.000 0.507 191 G N 0.453 109.260 108.800 0.012 0.000 2.572 191 G HA2 0.050 4.011 3.960 0.001 0.000 0.261 191 G HA3 0.050 4.007 3.960 -0.005 0.000 0.261 191 G C -1.273 173.627 174.900 0.001 0.000 1.197 191 G CA -1.289 43.812 45.100 0.002 0.000 0.870 191 G HN -0.529 7.707 8.290 0.014 0.062 0.548 192 P HA 0.126 4.550 4.420 0.007 0.000 0.271 192 P C -1.132 176.154 177.300 -0.023 0.000 1.218 192 P CA -0.308 62.789 63.100 -0.006 0.000 0.780 192 P CB 0.551 32.244 31.700 -0.012 0.000 0.901 193 V N -4.756 115.153 119.914 -0.008 0.000 3.113 193 V HA 0.338 4.399 4.120 -0.098 0.000 0.316 193 V C -1.010 175.080 176.094 -0.006 0.000 1.125 193 V CA -3.420 58.857 62.300 -0.039 0.000 1.026 193 V CB 2.605 34.423 31.823 -0.008 0.000 1.080 193 V HN -0.047 8.152 8.190 0.016 0.000 0.444 194 L N 0.770 121.974 121.223 -0.033 0.000 2.265 194 L HA 0.203 4.526 4.340 -0.028 0.000 0.288 194 L C -0.854 176.066 176.870 0.083 0.000 1.058 194 L CA -0.724 54.104 54.840 -0.019 0.000 0.809 194 L CB 0.075 42.071 42.059 -0.105 0.000 1.179 194 L HN -0.153 8.017 8.230 -0.100 0.000 0.429 195 L N 4.647 125.906 121.223 0.060 0.000 2.262 195 L HA 0.358 4.741 4.340 0.073 0.000 0.288 195 L C -1.670 175.257 176.870 0.095 0.000 1.035 195 L CA -2.603 52.278 54.840 0.067 0.000 0.820 195 L CB -0.074 42.009 42.059 0.041 0.000 1.204 195 L HN 0.244 8.493 8.230 0.031 0.000 0.424 196 P HA 0.188 4.860 4.420 0.420 0.000 0.281 196 P C -1.154 176.293 177.300 0.244 0.000 1.249 196 P CA -1.478 61.798 63.100 0.293 0.000 0.810 196 P CB 1.187 33.101 31.700 0.357 0.000 1.008 197 D N 0.468 121.013 120.400 0.243 0.000 2.378 197 D HA -0.148 4.558 4.640 0.110 0.000 0.238 197 D C -0.070 176.321 176.300 0.151 0.000 1.180 197 D CA 0.313 54.371 54.000 0.097 0.000 0.895 197 D CB 0.720 41.505 40.800 -0.025 0.000 1.192 197 D HN -0.305 8.307 8.370 0.404 0.000 0.438 198 N N 0.421 119.193 118.700 0.121 0.000 2.357 198 N HA 0.046 5.079 4.740 0.136 -0.211 0.257 198 N C -0.445 175.194 175.510 0.215 0.000 1.250 198 N CA 1.391 54.528 53.050 0.146 0.000 0.862 198 N CB -0.213 38.339 38.487 0.109 0.000 1.066 198 N HN 0.250 8.684 8.380 0.090 0.000 0.468 199 H N -1.910 117.219 119.070 0.099 0.000 2.883 199 H HA 0.296 4.925 4.556 0.122 0.000 0.277 199 H C -3.058 172.380 175.328 0.184 0.000 1.451 199 H CA -0.775 55.321 56.048 0.080 0.000 1.157 199 H CB 1.581 31.297 29.762 -0.077 0.000 1.851 199 H HN -0.060 8.236 8.280 0.025 0.000 0.566 200 Y N -6.051 114.219 120.300 -0.049 0.000 2.609 200 Y HA 0.847 5.335 4.550 -0.363 -0.156 0.342 200 Y C -2.694 173.102 175.900 -0.173 0.000 1.058 200 Y CA -2.637 55.308 58.100 -0.258 0.000 1.055 200 Y CB 2.981 41.169 38.460 -0.453 0.000 1.292 200 Y HN 0.174 8.360 8.280 -0.157 0.000 0.476 201 L N -0.053 121.097 121.223 -0.122 0.000 2.287 201 L HA 0.366 4.720 4.340 -0.219 -0.145 0.287 201 L C -0.405 176.436 176.870 -0.048 0.000 1.022 201 L CA -1.159 53.590 54.840 -0.151 0.000 0.814 201 L CB 1.527 43.495 42.059 -0.152 0.000 1.217 201 L HN 0.196 8.350 8.230 -0.126 0.000 0.420 202 S N 4.909 120.596 115.700 -0.023 0.000 2.465 202 S HA 0.343 4.992 4.470 0.081 -0.130 0.279 202 S C -0.700 173.906 174.600 0.010 0.000 1.201 202 S CA -0.730 57.501 58.200 0.052 0.000 1.053 202 S CB 0.788 64.045 63.200 0.095 0.000 0.953 202 S HN 0.597 8.840 8.310 -0.112 0.000 0.488 203 T N 10.622 125.185 114.554 0.015 0.000 2.824 203 T HA 0.629 5.189 4.350 0.041 -0.186 0.282 203 T C -1.669 173.079 174.700 0.081 0.000 0.993 203 T CA -0.544 61.578 62.100 0.036 0.000 0.967 203 T CB 2.338 71.207 68.868 0.002 0.000 0.960 203 T HN 0.695 8.944 8.240 0.015 0.000 0.441 204 Q N 6.490 126.359 119.800 0.116 0.000 2.356 204 Q HA 0.461 4.873 4.340 0.119 0.000 0.270 204 Q C -1.793 174.289 176.000 0.137 0.000 1.058 204 Q CA -0.728 55.156 55.803 0.136 0.000 0.802 204 Q CB 4.070 32.898 28.738 0.150 0.000 1.303 204 Q HN 0.630 8.978 8.270 0.131 0.000 0.444 205 S N 3.150 118.926 115.700 0.128 0.000 2.547 205 S HA 0.766 5.401 4.470 0.003 -0.163 0.281 205 S C -1.183 173.455 174.600 0.063 0.000 1.118 205 S CA -0.704 57.521 58.200 0.042 0.000 0.947 205 S CB 2.741 65.879 63.200 -0.102 0.000 1.053 205 S HN 0.401 8.807 8.310 0.161 0.000 0.482 206 A N 4.825 127.654 122.820 0.015 0.000 2.343 206 A HA 0.531 4.870 4.320 0.030 0.000 0.308 206 A C -2.362 175.195 177.584 -0.045 0.000 1.092 206 A CA -1.279 50.767 52.037 0.014 0.000 0.751 206 A CB 2.686 21.713 19.000 0.045 0.000 1.203 206 A HN 0.911 9.054 8.150 -0.012 0.000 0.452 207 L N 3.614 124.778 121.223 -0.098 0.000 2.309 207 L HA 0.990 5.425 4.340 -0.157 -0.189 0.282 207 L C 0.247 177.092 176.870 -0.042 0.000 1.036 207 L CA -1.093 53.619 54.840 -0.213 0.000 0.806 207 L CB 1.500 43.156 42.059 -0.672 0.000 1.220 207 L HN 0.380 8.561 8.230 -0.081 0.000 0.429 208 S N 1.911 117.671 115.700 0.100 0.000 2.705 208 S HA 0.278 4.923 4.470 0.293 0.000 0.280 208 S C -2.068 172.638 174.600 0.176 0.000 1.174 208 S CA -1.128 57.193 58.200 0.201 0.000 0.823 208 S CB 2.554 65.811 63.200 0.095 0.000 1.162 208 S HN 0.770 9.113 8.310 0.056 0.000 0.487 209 K N -0.543 119.919 120.400 0.103 0.000 2.318 209 K HA 0.237 4.582 4.320 0.042 0.000 0.249 209 K C -1.170 175.552 176.600 0.203 0.000 0.942 209 K CA -2.200 54.144 56.287 0.095 0.000 0.808 209 K CB 2.449 34.932 32.500 -0.029 0.000 1.189 209 K HN 0.071 8.385 8.250 0.107 0.000 0.428 210 D N 3.291 123.929 120.400 0.398 0.000 2.339 210 D HA 0.305 4.978 4.640 0.055 0.000 0.241 210 D C 0.202 176.526 176.300 0.040 0.000 1.183 210 D CA -3.149 50.904 54.000 0.088 0.000 0.859 210 D CB 0.816 41.553 40.800 -0.105 0.000 1.067 210 D HN 0.051 9.024 8.370 1.005 0.000 0.484 211 P HA 0.011 4.449 4.420 0.029 0.000 0.228 211 P C -0.353 176.938 177.300 -0.014 0.000 1.151 211 P CA 1.120 64.228 63.100 0.013 0.000 0.770 211 P CB 0.342 32.047 31.700 0.007 0.000 0.786 212 N N -1.864 116.808 118.700 -0.045 0.000 2.230 212 N HA 0.083 4.799 4.740 -0.040 0.000 0.202 212 N C -1.377 174.077 175.510 -0.094 0.000 1.119 212 N CA -0.121 52.894 53.050 -0.057 0.000 0.851 212 N CB 0.521 38.975 38.487 -0.054 0.000 0.990 212 N HN -0.309 8.270 8.380 -0.053 -0.230 0.497 213 E N 0.991 121.101 120.200 -0.151 0.000 2.133 213 E HA 0.162 4.395 4.350 -0.195 0.000 0.274 213 E C -0.608 175.914 176.600 -0.129 0.000 0.930 213 E CA -0.818 55.431 56.400 -0.252 0.000 0.770 213 E CB 0.693 29.985 29.700 -0.680 0.000 1.104 213 E HN -0.685 7.526 8.360 -0.131 0.071 0.403 214 K N 4.588 124.949 120.400 -0.063 0.000 2.356 214 K HA -0.013 4.318 4.320 0.020 0.000 0.195 214 K C 0.482 177.108 176.600 0.044 0.000 1.037 214 K CA 0.414 56.702 56.287 0.002 0.000 1.014 214 K CB 0.595 33.093 32.500 -0.002 0.000 0.815 214 K HN 0.390 8.595 8.250 -0.075 0.000 0.507 215 R N -0.089 120.432 120.500 0.035 0.000 2.679 215 R HA -0.109 4.289 4.340 0.096 0.000 0.269 215 R C -1.188 175.258 176.300 0.244 0.000 1.076 215 R CA -0.064 56.099 56.100 0.105 0.000 1.160 215 R CB 0.712 31.063 30.300 0.085 0.000 1.054 215 R HN -0.710 7.842 8.270 -0.020 -0.294 0.507 216 D N -0.671 119.886 120.400 0.261 0.000 2.383 216 D HA -0.112 4.722 4.640 0.323 0.000 0.252 216 D C -1.235 175.390 176.300 0.542 0.000 1.166 216 D CA 0.861 55.083 54.000 0.371 0.000 0.879 216 D CB 0.546 41.530 40.800 0.306 0.000 1.164 216 D HN 0.229 8.722 8.370 0.206 0.000 0.462 217 H N 0.163 119.336 119.070 0.172 0.000 2.981 217 H HA 0.504 5.056 4.556 -0.189 -0.109 0.327 217 H C -3.234 171.557 175.328 -0.895 0.000 1.342 217 H CA -1.485 54.412 56.048 -0.252 0.000 1.123 217 H CB 2.607 32.304 29.762 -0.108 0.000 1.851 217 H HN -0.227 8.088 8.280 0.059 0.000 0.531 218 M N -0.211 118.822 119.600 -0.944 0.000 2.271 218 M HA 0.531 4.670 4.480 -0.568 0.000 0.285 218 M C -2.525 173.696 176.300 -0.131 0.000 1.059 218 M CA -0.654 54.242 55.300 -0.674 0.000 0.940 218 M CB 3.830 35.904 32.600 -0.876 0.000 1.636 218 M HN 0.296 8.241 8.290 -0.575 0.000 0.460 219 V N 6.157 126.055 119.914 -0.026 0.000 2.407 219 V HA 0.629 4.896 4.120 -0.012 -0.155 0.278 219 V C -2.089 174.006 176.094 0.002 0.000 1.037 219 V CA -1.212 61.094 62.300 0.009 0.000 0.900 219 V CB 0.771 32.614 31.823 0.033 0.000 0.983 219 V HN 0.458 8.630 8.190 -0.030 0.000 0.459 220 L N 8.968 130.192 121.223 0.002 0.000 2.381 220 L HA 0.782 5.278 4.340 -0.036 -0.177 0.274 220 L C -2.732 174.097 176.870 -0.068 0.000 0.988 220 L CA -1.616 53.219 54.840 -0.008 0.000 0.824 220 L CB 4.031 46.157 42.059 0.112 0.000 1.263 220 L HN 0.678 8.895 8.230 -0.021 0.000 0.410 221 L N 7.292 128.462 121.223 -0.089 0.000 2.333 221 L HA 0.897 5.304 4.340 -0.205 -0.191 0.280 221 L C -2.340 174.415 176.870 -0.192 0.000 1.004 221 L CA -1.406 53.339 54.840 -0.157 0.000 0.820 221 L CB 3.475 45.476 42.059 -0.096 0.000 1.247 221 L HN 0.408 8.596 8.230 -0.069 0.000 0.416 222 E N 6.605 126.600 120.200 -0.342 0.000 2.314 222 E HA 0.819 5.281 4.350 -0.140 -0.195 0.272 222 E C -1.947 174.337 176.600 -0.527 0.000 0.884 222 E CA -1.653 54.584 56.400 -0.271 0.000 0.753 222 E CB 4.500 34.105 29.700 -0.158 0.000 1.213 222 E HN 0.326 8.430 8.360 -0.427 0.000 0.432 223 F N 3.171 123.123 119.950 0.004 0.000 2.507 223 F HA 0.901 5.688 4.527 0.028 -0.243 0.325 223 F C -1.289 174.511 175.800 0.000 0.000 1.116 223 F CA -1.864 56.145 58.000 0.015 0.000 0.930 223 F CB 3.865 42.877 39.000 0.020 0.000 1.146 223 F HN 0.568 8.927 8.300 0.098 0.000 0.447 224 V N 2.727 122.736 119.914 0.157 0.000 2.569 224 V HA 0.746 5.098 4.120 0.041 -0.208 0.301 224 V C -1.020 175.088 176.094 0.023 0.000 1.044 224 V CA -1.439 60.892 62.300 0.052 0.000 0.874 224 V CB 2.490 34.309 31.823 -0.007 0.000 1.002 224 V HN 0.605 8.905 8.190 0.183 0.000 0.424 225 T N 8.949 123.479 114.554 -0.041 0.000 2.879 225 T HA 0.457 4.886 4.350 -0.108 -0.143 0.290 225 T C -1.677 172.872 174.700 -0.253 0.000 0.993 225 T CA -1.026 61.007 62.100 -0.110 0.000 0.975 225 T CB 2.557 71.388 68.868 -0.060 0.000 0.981 225 T HN 0.562 8.777 8.240 -0.041 0.000 0.439 226 A N 7.045 129.605 122.820 -0.435 0.000 2.388 226 A HA 0.586 4.784 4.320 -0.496 -0.175 0.257 226 A C -1.470 175.828 177.584 -0.477 0.000 1.095 226 A CA -0.584 51.095 52.037 -0.597 0.000 0.791 226 A CB 0.902 19.134 19.000 -1.280 0.000 1.029 226 A HN 0.487 8.366 8.150 -0.451 0.000 0.489 227 A N 1.465 123.938 122.820 -0.578 0.000 2.568 227 A HA 0.321 4.438 4.320 -0.339 0.000 0.291 227 A C -1.390 175.841 177.584 -0.589 0.000 1.159 227 A CA -0.626 51.065 52.037 -0.576 0.000 0.679 227 A CB 2.407 21.000 19.000 -0.678 0.000 1.285 227 A HN 0.581 8.362 8.150 -0.616 0.000 0.428 228 G N -3.540 105.104 108.800 -0.260 0.000 2.179 228 G HA2 -0.217 3.871 3.960 0.213 0.000 0.220 228 G HA3 -0.217 3.798 3.960 0.091 0.000 0.220 228 G C -0.770 174.173 174.900 0.072 0.000 0.990 228 G CA 0.418 45.544 45.100 0.044 0.000 0.646 228 G HN 0.274 8.469 8.290 -0.157 0.000 0.517 229 I N 0.000 120.588 120.570 0.030 0.000 2.984 229 I HA 0.000 4.205 4.170 0.058 0.000 0.288 229 I CA 0.000 61.337 61.300 0.063 0.000 1.566 229 I CB 0.000 37.975 38.000 -0.042 0.000 1.214 229 I HN 0.000 8.146 8.210 -0.003 0.062 0.494