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 1s6i_1_A DATA FIRST_RESID 1 DATA SEQUENCE AERLSEEEIG GLKELFKMID TDNSGTITFD ELKDGLKRVG SELMESEIKD DATA SEQUENCE LMDAADIDKS GTIDYGEFIA ATVHLNKLER EENLVSAFSY FDKDGSGYIT DATA SEQUENCE LDEIQQACKD FGLDDIHIDD MIKEIDQDND GQIDYGEFAA MMRKRKGNGG DATA SEQUENCE IGRRTMRKTL NLRDALGLVD NGSNQVIEGY FK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 4.321 4.320 0.001 0.000 0.244 1 A C 0.000 177.584 177.584 0.000 0.000 1.274 1 A CA 0.000 52.037 52.037 -0.000 0.000 0.836 1 A CB 0.000 18.999 19.000 -0.001 0.000 0.831 2 E N -0.823 119.378 120.200 0.003 0.000 2.571 2 E HA 0.112 4.464 4.350 0.003 0.000 0.222 2 E C -0.537 176.066 176.600 0.005 0.000 0.904 2 E CA -0.018 56.384 56.400 0.004 0.000 1.157 2 E CB 1.650 31.353 29.700 0.004 0.000 1.158 2 E HN 0.211 8.574 8.360 0.004 0.000 0.540 3 R N 0.923 121.427 120.500 0.006 0.000 2.603 3 R HA 0.140 4.485 4.340 0.009 0.000 0.280 3 R C -1.903 174.402 176.300 0.008 0.000 1.185 3 R CA 0.035 56.140 56.100 0.008 0.000 1.039 3 R CB 1.107 31.413 30.300 0.008 0.000 1.247 3 R HN -0.456 7.817 8.270 0.005 0.000 0.413 4 L N 2.989 124.219 121.223 0.011 0.000 2.304 4 L HA 0.317 4.663 4.340 0.010 0.000 0.247 4 L C -0.458 176.427 176.870 0.025 0.000 1.110 4 L CA 0.614 55.461 54.840 0.013 0.000 1.249 4 L CB 0.971 43.035 42.059 0.008 0.000 2.495 4 L HN 0.012 8.250 8.230 0.013 0.000 0.543 5 S N 0.817 116.535 115.700 0.031 0.000 2.738 5 S HA 0.063 4.583 4.470 0.082 0.000 0.284 5 S C -0.025 174.606 174.600 0.052 0.000 1.146 5 S CA -0.079 58.155 58.200 0.058 0.000 0.997 5 S CB 0.706 63.938 63.200 0.053 0.000 1.081 5 S HN -0.490 7.832 8.310 0.021 0.000 0.553 6 E N 0.135 120.378 120.200 0.073 0.000 2.542 6 E HA 0.211 4.584 4.350 0.038 0.000 0.224 6 E C -0.222 176.412 176.600 0.057 0.000 1.110 6 E CA -0.732 55.702 56.400 0.055 0.000 1.350 6 E CB -0.713 29.018 29.700 0.053 0.000 1.302 6 E HN 0.592 9.018 8.360 0.109 0.000 0.435 7 E N 0.829 121.059 120.200 0.050 0.000 2.333 7 E HA -0.309 4.074 4.350 0.055 0.000 0.198 7 E C 0.355 176.976 176.600 0.034 0.000 1.007 7 E CA 2.113 58.539 56.400 0.044 0.000 0.845 7 E CB -0.139 29.579 29.700 0.031 0.000 0.766 7 E HN 0.001 8.310 8.360 0.045 0.078 0.507 8 E N -1.164 119.053 120.200 0.029 0.000 2.077 8 E HA -0.231 4.130 4.350 0.019 0.000 0.193 8 E C 1.688 178.302 176.600 0.023 0.000 0.989 8 E CA 1.956 58.370 56.400 0.022 0.000 0.800 8 E CB -0.374 29.336 29.700 0.018 0.000 0.746 8 E HN 0.213 8.532 8.360 0.030 0.058 0.452 9 I N -1.223 119.364 120.570 0.028 0.000 2.094 9 I HA -0.219 3.964 4.170 0.021 0.000 0.234 9 I C 0.652 176.788 176.117 0.032 0.000 1.063 9 I CA 1.437 62.753 61.300 0.027 0.000 1.328 9 I CB 0.856 38.873 38.000 0.028 0.000 1.058 9 I HN -0.740 7.489 8.210 0.031 0.000 0.400 10 G N -4.861 103.965 108.800 0.045 0.000 2.576 10 G HA2 0.061 4.045 3.960 0.040 0.000 0.290 10 G HA3 0.061 4.051 3.960 0.049 0.000 0.290 10 G C -1.897 173.044 174.900 0.068 0.000 1.442 10 G CA -0.332 44.798 45.100 0.049 0.000 0.792 10 G HN -0.798 7.523 8.290 0.052 0.000 0.491 11 G N -0.182 108.657 108.800 0.064 0.000 2.726 11 G HA2 -0.064 4.027 3.960 0.071 0.000 0.283 11 G HA3 -0.064 3.931 3.960 0.059 0.000 0.283 11 G C -0.304 174.666 174.900 0.118 0.000 0.689 11 G CA 0.168 45.313 45.100 0.075 0.000 2.087 11 G HN 0.233 8.554 8.290 0.052 0.000 0.546 12 L N 4.699 126.016 121.223 0.157 0.000 2.145 12 L HA -0.065 4.434 4.340 0.265 0.000 0.201 12 L C 0.645 177.715 176.870 0.334 0.000 1.075 12 L CA 1.991 56.981 54.840 0.250 0.000 0.773 12 L CB 0.380 42.573 42.059 0.225 0.000 0.936 12 L HN 0.260 8.544 8.230 0.137 0.029 0.451 13 K N -1.144 119.445 120.400 0.315 0.000 2.152 13 K HA -0.485 4.290 4.320 0.758 0.000 0.206 13 K C 1.313 178.027 176.600 0.189 0.000 1.048 13 K CA 3.730 60.226 56.287 0.348 0.000 0.933 13 K CB -0.368 32.179 32.500 0.079 0.000 0.721 13 K HN 0.540 8.937 8.250 0.244 0.000 0.447 14 E N -1.749 118.517 120.200 0.109 0.000 2.112 14 E HA -0.213 4.135 4.350 -0.003 0.000 0.190 14 E C 2.018 178.618 176.600 -0.001 0.000 0.979 14 E CA 2.384 58.803 56.400 0.031 0.000 0.814 14 E CB -1.078 28.636 29.700 0.022 0.000 0.762 14 E HN -0.237 8.171 8.360 0.122 0.026 0.460 15 L N 0.132 121.403 121.223 0.081 0.000 2.187 15 L HA -0.316 4.067 4.340 0.072 0.000 0.213 15 L C 1.325 178.066 176.870 -0.216 0.000 1.100 15 L CA 2.662 57.565 54.840 0.104 0.000 0.765 15 L CB -0.343 41.925 42.059 0.348 0.000 0.904 15 L HN -0.732 7.478 8.230 0.146 0.108 0.437 16 F N -1.390 118.149 119.950 -0.684 0.000 2.128 16 F HA -0.353 2.264 4.527 -3.183 0.000 0.295 16 F C 0.829 176.266 175.800 -0.605 0.000 1.100 16 F CA 2.815 59.971 58.000 -1.406 0.000 1.260 16 F CB 0.109 38.656 39.000 -0.756 0.000 1.009 16 F HN -0.339 7.791 8.300 -0.042 0.144 0.476 17 K N -2.964 117.036 120.400 -0.668 0.000 2.418 17 K HA -0.145 4.000 4.320 -0.936 -0.387 0.195 17 K C 1.375 177.754 176.600 -0.369 0.000 1.035 17 K CA 1.586 57.505 56.287 -0.614 0.000 1.003 17 K CB -0.740 31.565 32.500 -0.326 0.000 0.793 17 K HN -0.835 7.150 8.250 -0.294 0.089 0.494 18 M N -0.616 118.818 119.600 -0.277 0.000 2.279 18 M HA -0.288 4.122 4.480 -0.115 0.000 0.264 18 M C 1.315 177.531 176.300 -0.140 0.000 1.062 18 M CA 1.522 56.735 55.300 -0.145 0.000 1.099 18 M CB -0.422 32.142 32.600 -0.060 0.000 1.394 18 M HN 0.105 8.039 8.290 -0.299 0.177 0.426 19 I N -3.295 117.146 120.570 -0.216 0.000 2.364 19 I HA -0.243 3.888 4.170 -0.066 0.000 0.241 19 I C 0.773 176.786 176.117 -0.174 0.000 1.082 19 I CA 2.503 63.718 61.300 -0.142 0.000 1.401 19 I CB 0.336 38.284 38.000 -0.087 0.000 1.126 19 I HN -0.805 7.040 8.210 -0.356 0.151 0.429 20 D N -1.109 119.112 120.400 -0.297 0.000 2.934 20 D HA -0.045 4.504 4.640 -0.152 0.000 0.237 20 D C -0.585 175.590 176.300 -0.208 0.000 1.158 20 D CA -0.290 53.565 54.000 -0.242 0.000 0.971 20 D CB -2.336 38.273 40.800 -0.317 0.000 1.123 20 D HN -0.493 7.595 8.370 -0.470 0.000 0.467 21 T N -0.896 113.567 114.554 -0.151 0.000 3.113 21 T HA -0.135 4.135 4.350 -0.134 0.000 0.256 21 T C -0.284 174.367 174.700 -0.082 0.000 1.131 21 T CA 1.744 63.774 62.100 -0.116 0.000 1.074 21 T CB 0.389 69.203 68.868 -0.090 0.000 0.944 21 T HN -0.284 7.785 8.240 -0.133 0.091 0.516 22 D N -2.909 117.447 120.400 -0.073 0.000 2.502 22 D HA -0.001 4.611 4.640 -0.046 0.000 0.232 22 D C 0.355 176.629 176.300 -0.044 0.000 1.137 22 D CA 0.284 54.254 54.000 -0.050 0.000 0.827 22 D CB -0.606 40.173 40.800 -0.036 0.000 1.141 22 D HN -0.143 8.114 8.370 -0.083 0.063 0.517 23 N N 0.565 119.233 118.700 -0.055 0.000 2.119 23 N HA -0.219 4.506 4.740 -0.025 0.000 0.190 23 N C 0.495 175.982 175.510 -0.038 0.000 1.068 23 N CA 2.085 55.112 53.050 -0.039 0.000 0.872 23 N CB 0.646 39.109 38.487 -0.040 0.000 1.053 23 N HN -0.014 8.322 8.380 -0.074 0.000 0.447 24 S N -4.425 111.245 115.700 -0.049 0.000 2.585 24 S HA 0.038 4.484 4.470 -0.039 0.000 0.201 24 S C -0.088 174.487 174.600 -0.041 0.000 0.826 24 S CA 0.389 58.568 58.200 -0.037 0.000 1.552 24 S CB 1.718 64.910 63.200 -0.014 0.000 1.270 24 S HN 0.120 8.389 8.310 -0.069 0.000 0.586 25 G N 1.654 110.403 108.800 -0.085 0.000 2.186 25 G HA2 -0.249 3.794 3.960 -0.239 0.000 0.130 25 G HA3 -0.249 3.697 3.960 -0.023 0.000 0.130 25 G C -2.083 172.807 174.900 -0.016 0.000 1.031 25 G CA 0.032 45.072 45.100 -0.101 0.000 0.697 25 G HN 0.217 8.441 8.290 -0.110 0.000 0.494 26 T N -4.720 109.803 114.554 -0.051 0.000 2.932 26 T HA 0.309 4.910 4.350 0.242 -0.106 0.318 26 T C -1.495 173.213 174.700 0.014 0.000 1.265 26 T CA -1.783 60.363 62.100 0.076 0.000 1.036 26 T CB 3.017 71.946 68.868 0.102 0.000 1.209 26 T HN -0.913 7.265 8.240 -0.102 0.000 0.484 27 I N 4.531 125.163 120.570 0.103 0.000 2.307 27 I HA 0.210 4.386 4.170 0.009 0.000 0.287 27 I C -0.476 175.701 176.117 0.100 0.000 1.054 27 I CA -0.773 60.575 61.300 0.079 0.000 1.218 27 I CB -0.477 37.617 38.000 0.156 0.000 1.398 27 I HN 0.667 8.903 8.210 0.225 0.109 0.475 28 T N 3.903 118.504 114.554 0.078 0.000 2.944 28 T HA 0.688 5.276 4.350 0.130 -0.160 0.284 28 T C 1.319 176.102 174.700 0.139 0.000 1.010 28 T CA -2.969 59.199 62.100 0.114 0.000 1.025 28 T CB 2.838 71.766 68.868 0.100 0.000 1.079 28 T HN -0.213 8.057 8.240 0.050 0.000 0.516 29 F N 1.683 121.652 119.950 0.030 0.000 2.127 29 F HA -0.484 4.069 4.527 0.043 0.000 0.299 29 F C 0.750 176.564 175.800 0.024 0.000 1.068 29 F CA 4.870 62.889 58.000 0.031 0.000 1.263 29 F CB 0.255 39.267 39.000 0.021 0.000 1.016 29 F HN 0.070 8.557 8.300 0.312 0.000 0.491 30 D N -3.866 116.651 120.400 0.196 0.000 2.120 30 D HA -0.202 4.512 4.640 0.123 0.000 0.202 30 D C 1.919 178.233 176.300 0.024 0.000 0.972 30 D CA 2.996 57.059 54.000 0.105 0.000 0.837 30 D CB -0.483 40.372 40.800 0.091 0.000 0.989 30 D HN -0.241 8.228 8.370 0.215 0.030 0.469 31 E N 0.236 120.448 120.200 0.021 0.000 2.358 31 E HA -0.140 4.342 4.350 -0.012 -0.138 0.195 31 E C 2.183 178.777 176.600 -0.010 0.000 1.010 31 E CA 1.681 58.077 56.400 -0.006 0.000 0.856 31 E CB -0.261 29.427 29.700 -0.020 0.000 0.795 31 E HN -0.661 7.725 8.360 0.043 0.000 0.504 32 L N -1.190 120.022 121.223 -0.017 0.000 2.021 32 L HA -0.384 3.973 4.340 0.028 0.000 0.215 32 L C 1.045 177.892 176.870 -0.039 0.000 1.074 32 L CA 3.841 58.663 54.840 -0.031 0.000 0.760 32 L CB -0.429 41.553 42.059 -0.128 0.000 0.889 32 L HN 0.638 8.721 8.230 -0.010 0.142 0.433 33 K N -3.896 116.460 120.400 -0.074 0.000 2.078 33 K HA -0.191 4.102 4.320 -0.044 0.000 0.203 33 K C 1.916 178.504 176.600 -0.020 0.000 1.043 33 K CA 2.582 58.837 56.287 -0.052 0.000 0.960 33 K CB -0.296 32.161 32.500 -0.071 0.000 0.761 33 K HN -0.902 7.287 8.250 -0.099 0.001 0.448 34 D N 0.172 120.562 120.400 -0.018 0.000 2.218 34 D HA -0.398 4.237 4.640 -0.009 0.000 0.194 34 D C 1.864 178.158 176.300 -0.009 0.000 1.007 34 D CA 3.037 57.030 54.000 -0.012 0.000 0.879 34 D CB -0.822 39.969 40.800 -0.015 0.000 0.918 34 D HN -0.486 7.871 8.370 -0.023 0.000 0.449 35 G N -3.305 105.493 108.800 -0.003 0.000 2.434 35 G HA2 -0.158 3.796 3.960 -0.010 0.000 0.214 35 G HA3 -0.158 3.819 3.960 0.027 0.000 0.214 35 G C 1.869 176.786 174.900 0.029 0.000 1.202 35 G CA 1.356 46.462 45.100 0.010 0.000 0.788 35 G HN -0.207 8.053 8.290 -0.003 0.027 0.539 36 L N 0.899 122.145 121.223 0.037 0.000 2.217 36 L HA -0.020 4.348 4.340 0.046 0.000 0.211 36 L C 0.918 177.797 176.870 0.016 0.000 1.107 36 L CA 1.950 56.810 54.840 0.034 0.000 0.783 36 L CB -1.262 40.816 42.059 0.032 0.000 0.919 36 L HN -0.718 7.534 8.230 0.036 0.000 0.442 37 K N -4.612 115.792 120.400 0.007 0.000 2.574 37 K HA -0.128 4.537 4.320 0.002 -0.344 0.193 37 K C 1.575 178.177 176.600 0.003 0.000 1.035 37 K CA 1.525 57.813 56.287 0.002 0.000 0.982 37 K CB -0.595 31.903 32.500 -0.002 0.000 0.795 37 K HN -0.057 8.175 8.250 0.005 0.021 0.491 38 R N -1.705 118.798 120.500 0.005 0.000 2.090 38 R HA -0.165 4.175 4.340 -0.000 0.000 0.219 38 R C 1.655 177.958 176.300 0.006 0.000 1.100 38 R CA 2.036 58.138 56.100 0.003 0.000 0.991 38 R CB 0.471 30.771 30.300 -0.000 0.000 0.893 38 R HN -0.506 7.559 8.270 0.009 0.210 0.443 39 V N -6.126 113.796 119.914 0.013 0.000 3.444 39 V HA -0.049 4.079 4.120 0.012 0.000 0.271 39 V C 0.476 176.576 176.094 0.009 0.000 1.188 39 V CA 0.874 63.182 62.300 0.014 0.000 1.168 39 V CB -0.081 31.756 31.823 0.023 0.000 0.810 39 V HN -0.636 7.564 8.190 0.017 0.000 0.500 40 G N -0.683 108.121 108.800 0.006 0.000 2.376 40 G HA2 -0.295 3.666 3.960 0.001 0.000 0.208 40 G HA3 -0.295 3.666 3.960 0.003 0.000 0.208 40 G C 0.336 175.237 174.900 0.001 0.000 1.032 40 G CA -0.259 44.843 45.100 0.003 0.000 0.641 40 G HN -0.375 7.828 8.290 0.006 0.091 0.503 41 S N 1.738 117.440 115.700 0.003 0.000 2.559 41 S HA -0.174 4.296 4.470 -0.001 0.000 0.282 41 S C -1.357 173.243 174.600 -0.001 0.000 1.336 41 S CA 1.816 60.017 58.200 0.001 0.000 1.037 41 S CB 0.659 63.862 63.200 0.004 0.000 0.853 41 S HN -0.295 7.947 8.310 0.007 0.071 0.523 42 E N 3.302 123.499 120.200 -0.004 0.000 2.409 42 E HA 0.232 4.579 4.350 -0.005 0.000 0.259 42 E C -1.651 174.944 176.600 -0.008 0.000 0.932 42 E CA -0.592 55.804 56.400 -0.006 0.000 0.809 42 E CB 1.657 31.352 29.700 -0.007 0.000 1.341 42 E HN 0.383 8.740 8.360 -0.005 0.000 0.405 43 L N 0.270 121.488 121.223 -0.008 0.000 2.331 43 L HA 0.443 4.780 4.340 -0.006 0.000 0.268 43 L C -0.726 176.139 176.870 -0.007 0.000 1.015 43 L CA -1.922 52.913 54.840 -0.009 0.000 0.807 43 L CB 1.178 43.230 42.059 -0.013 0.000 1.293 43 L HN -0.148 8.076 8.230 -0.009 0.000 0.451 44 M N -2.761 116.840 119.600 0.001 0.000 2.613 44 M HA 0.236 4.729 4.480 0.022 0.000 0.301 44 M C 0.917 177.237 176.300 0.033 0.000 1.205 44 M CA -0.993 54.319 55.300 0.021 0.000 0.950 44 M CB 1.706 34.320 32.600 0.023 0.000 1.585 44 M HN -0.214 8.209 8.290 0.004 -0.130 0.490 45 E N 0.736 120.993 120.200 0.095 0.000 2.048 45 E HA -0.513 3.834 4.350 -0.005 0.000 0.202 45 E C 2.287 178.978 176.600 0.152 0.000 1.021 45 E CA 4.039 60.527 56.400 0.148 0.000 0.825 45 E CB 0.032 29.973 29.700 0.402 0.000 0.756 45 E HN 0.353 8.785 8.360 0.120 0.000 0.454 46 S N -2.554 113.263 115.700 0.195 0.000 2.421 46 S HA -0.464 4.229 4.470 0.371 0.000 0.239 46 S C 1.703 176.345 174.600 0.069 0.000 1.054 46 S CA 3.150 61.424 58.200 0.123 0.000 1.035 46 S CB -0.801 62.238 63.200 -0.268 0.000 0.840 46 S HN 0.210 8.641 8.310 0.202 0.000 0.475 47 E N 1.782 121.998 120.200 0.026 0.000 2.072 47 E HA -0.188 4.174 4.350 0.021 0.000 0.191 47 E C 2.332 178.903 176.600 -0.048 0.000 0.985 47 E CA 3.044 59.445 56.400 0.001 0.000 0.801 47 E CB -0.532 29.167 29.700 -0.001 0.000 0.750 47 E HN -0.497 7.744 8.360 0.032 0.138 0.452 48 I N 0.141 120.634 120.570 -0.128 0.000 2.076 48 I HA -0.540 3.508 4.170 -0.204 0.000 0.237 48 I C 1.674 177.679 176.117 -0.187 0.000 1.059 48 I CA 3.637 64.771 61.300 -0.277 0.000 1.317 48 I CB -0.186 37.382 38.000 -0.720 0.000 1.037 48 I HN 0.228 8.264 8.210 -0.116 0.104 0.398 49 K N -1.265 119.096 120.400 -0.065 0.000 2.209 49 K HA -0.400 4.015 4.320 0.159 0.000 0.204 49 K C 2.173 178.668 176.600 -0.175 0.000 1.048 49 K CA 3.285 59.619 56.287 0.078 0.000 0.940 49 K CB -0.396 32.288 32.500 0.307 0.000 0.729 49 K HN -0.663 7.561 8.250 -0.042 0.000 0.451 50 D N 0.274 120.597 120.400 -0.128 0.000 2.149 50 D HA -0.170 4.303 4.640 -0.278 0.000 0.201 50 D C 1.809 178.070 176.300 -0.064 0.000 0.972 50 D CA 2.740 56.666 54.000 -0.124 0.000 0.835 50 D CB 0.012 40.817 40.800 0.008 0.000 0.966 50 D HN -0.330 7.877 8.370 -0.048 0.134 0.476 51 L N -0.968 120.229 121.223 -0.044 0.000 2.313 51 L HA -0.249 4.084 4.340 -0.011 0.000 0.214 51 L C 1.167 178.020 176.870 -0.029 0.000 1.119 51 L CA 2.471 57.296 54.840 -0.024 0.000 0.809 51 L CB -0.091 41.959 42.059 -0.015 0.000 0.933 51 L HN 0.154 8.158 8.230 -0.052 0.194 0.449 52 M N -2.097 117.484 119.600 -0.032 0.000 2.123 52 M HA -0.265 4.227 4.480 0.020 0.000 0.263 52 M C 1.480 177.778 176.300 -0.003 0.000 1.069 52 M CA 2.374 57.676 55.300 0.003 0.000 1.133 52 M CB -0.973 31.655 32.600 0.047 0.000 1.356 52 M HN -0.351 7.759 8.290 -0.052 0.149 0.415 53 D N -3.458 116.921 120.400 -0.035 0.000 2.240 53 D HA -0.066 4.601 4.640 0.046 0.000 0.206 53 D C 1.246 177.563 176.300 0.029 0.000 0.963 53 D CA 1.863 55.878 54.000 0.026 0.000 0.863 53 D CB 1.018 41.876 40.800 0.097 0.000 0.973 53 D HN -0.579 7.729 8.370 -0.103 0.000 0.501 54 A N -2.746 120.073 122.820 -0.003 0.000 2.147 54 A HA 0.142 4.458 4.320 -0.007 0.000 0.211 54 A C 0.099 177.605 177.584 -0.130 0.000 1.160 54 A CA 1.236 53.255 52.037 -0.030 0.000 0.781 54 A CB 0.398 19.401 19.000 0.004 0.000 0.842 54 A HN -0.225 7.911 8.150 -0.025 0.000 0.475 55 A N -3.322 119.434 122.820 -0.107 0.000 1.933 55 A HA 0.061 4.242 4.320 -0.232 0.000 0.198 55 A C -0.978 176.559 177.584 -0.077 0.000 1.617 55 A CA -0.123 51.827 52.037 -0.145 0.000 1.039 55 A CB 1.894 20.820 19.000 -0.124 0.000 1.066 55 A HN -0.445 7.570 8.150 -0.061 0.098 0.484 56 D N 1.384 121.765 120.400 -0.032 0.000 2.359 56 D HA -0.115 4.526 4.640 0.001 0.000 0.273 56 D C 1.088 177.385 176.300 -0.005 0.000 1.362 56 D CA 0.224 54.223 54.000 -0.001 0.000 1.010 56 D CB -0.543 40.276 40.800 0.030 0.000 1.090 56 D HN -0.043 8.128 8.370 -0.026 0.183 0.521 57 I N 5.307 125.866 120.570 -0.018 0.000 2.479 57 I HA -0.289 3.869 4.170 -0.021 0.000 0.258 57 I C 0.668 176.788 176.117 0.004 0.000 1.165 57 I CA 1.554 62.845 61.300 -0.015 0.000 1.422 57 I CB -0.819 37.166 38.000 -0.024 0.000 1.087 57 I HN -0.072 8.122 8.210 -0.028 0.000 0.441 58 D N -1.888 118.521 120.400 0.015 0.000 2.891 58 D HA 0.046 4.701 4.640 0.025 0.000 0.332 58 D C -1.009 175.314 176.300 0.039 0.000 1.369 58 D CA -2.196 51.819 54.000 0.026 0.000 0.827 58 D CB -0.057 40.758 40.800 0.026 0.000 1.141 58 D HN -0.348 8.203 8.370 0.016 -0.171 0.464 59 K N 1.992 122.416 120.400 0.040 0.000 2.216 59 K HA -0.293 4.123 4.320 0.058 -0.061 0.252 59 K C -0.392 176.244 176.600 0.061 0.000 1.335 59 K CA 1.123 57.443 56.287 0.054 0.000 1.323 59 K CB -1.154 31.379 32.500 0.055 0.000 0.776 59 K HN -0.150 8.059 8.250 0.032 0.059 0.491 60 S N 5.600 121.340 115.700 0.067 0.000 2.846 60 S HA 0.162 4.667 4.470 0.058 0.000 0.249 60 S C 0.391 175.039 174.600 0.079 0.000 1.028 60 S CA -0.197 58.042 58.200 0.064 0.000 1.043 60 S CB 0.995 64.228 63.200 0.055 0.000 0.990 60 S HN 0.332 8.685 8.310 0.072 0.000 0.564 61 G N 1.377 110.240 108.800 0.104 0.000 2.153 61 G HA2 -0.341 3.736 3.960 0.195 0.000 0.252 61 G HA3 -0.341 3.699 3.960 0.133 0.000 0.252 61 G C -1.751 173.230 174.900 0.136 0.000 0.994 61 G CA 0.601 45.788 45.100 0.145 0.000 0.698 61 G HN 0.044 8.320 8.290 0.101 0.074 0.521 62 T N 0.504 115.126 114.554 0.114 0.000 3.172 62 T HA 0.524 5.138 4.350 0.124 -0.190 0.320 62 T C -1.311 173.468 174.700 0.132 0.000 1.085 62 T CA -0.035 62.136 62.100 0.118 0.000 1.052 62 T CB 3.385 72.313 68.868 0.100 0.000 1.107 62 T HN -0.845 7.409 8.240 0.104 0.048 0.458 63 I N 7.148 127.825 120.570 0.178 0.000 2.354 63 I HA 0.322 4.930 4.170 0.157 -0.343 0.292 63 I C -1.277 175.047 176.117 0.346 0.000 0.989 63 I CA -1.653 59.782 61.300 0.225 0.000 1.188 63 I CB 2.841 41.003 38.000 0.270 0.000 1.342 63 I HN 1.004 9.166 8.210 0.178 0.155 0.457 64 D N 6.747 127.264 120.400 0.195 0.000 2.384 64 D HA 0.318 5.221 4.640 0.438 0.000 0.250 64 D C 0.635 176.613 176.300 -0.536 0.000 1.029 64 D CA -1.365 52.679 54.000 0.073 0.000 0.990 64 D CB 2.810 43.637 40.800 0.045 0.000 1.175 64 D HN 0.219 8.799 8.370 0.111 -0.143 0.532 65 Y N 2.407 121.770 120.300 -1.562 0.000 2.096 65 Y HA -0.533 2.365 4.550 -2.753 0.000 0.276 65 Y C 0.929 176.510 175.900 -0.532 0.000 1.209 65 Y CA 4.116 61.264 58.100 -1.587 0.000 1.137 65 Y CB -0.175 37.775 38.460 -0.850 0.000 0.956 65 Y HN 0.676 8.370 8.280 -0.977 0.000 0.506 66 G N -3.286 105.275 108.800 -0.397 0.000 2.484 66 G HA2 -0.313 3.382 3.960 -0.441 0.000 0.215 66 G HA3 -0.313 3.537 3.960 -0.183 0.000 0.215 66 G C 0.917 175.687 174.900 -0.217 0.000 1.219 66 G CA 1.679 46.592 45.100 -0.312 0.000 0.791 66 G HN 0.159 8.298 8.290 -0.240 0.007 0.550 67 E N 2.445 122.577 120.200 -0.113 0.000 2.219 67 E HA -0.364 3.950 4.350 -0.060 0.000 0.198 67 E C 2.259 178.853 176.600 -0.010 0.000 0.998 67 E CA 2.410 58.785 56.400 -0.043 0.000 0.818 67 E CB -0.384 29.327 29.700 0.018 0.000 0.741 67 E HN 0.222 8.522 8.360 -0.100 0.000 0.477 68 F N 1.290 121.139 119.950 -0.168 0.000 2.014 68 F HA -0.383 4.166 4.527 0.036 0.000 0.295 68 F C 1.230 176.965 175.800 -0.109 0.000 1.145 68 F CA 3.503 61.461 58.000 -0.071 0.000 1.178 68 F CB 0.349 39.330 39.000 -0.032 0.000 0.972 68 F HN 0.154 8.311 8.300 -0.013 0.135 0.476 69 I N -2.203 118.252 120.570 -0.193 0.000 2.194 69 I HA -0.597 3.385 4.170 -0.313 0.000 0.246 69 I C 2.240 178.216 176.117 -0.235 0.000 1.093 69 I CA 2.227 63.366 61.300 -0.269 0.000 1.355 69 I CB -1.969 35.858 38.000 -0.287 0.000 1.046 69 I HN -0.480 7.657 8.210 -0.122 0.000 0.413 70 A N -1.861 120.846 122.820 -0.188 0.000 2.015 70 A HA -0.186 4.065 4.320 -0.115 0.000 0.219 70 A C 0.611 178.122 177.584 -0.123 0.000 1.163 70 A CA 2.718 54.676 52.037 -0.133 0.000 0.646 70 A CB -0.697 18.238 19.000 -0.109 0.000 0.806 70 A HN -0.236 7.791 8.150 -0.189 0.009 0.448 71 A N -4.349 118.373 122.820 -0.164 0.000 2.220 71 A HA 0.009 4.277 4.320 -0.087 0.000 0.211 71 A C 1.062 178.539 177.584 -0.178 0.000 1.176 71 A CA 1.310 53.265 52.037 -0.136 0.000 0.834 71 A CB 0.709 19.641 19.000 -0.113 0.000 0.868 71 A HN -0.305 7.559 8.150 -0.201 0.165 0.488 72 T N 1.919 116.277 114.554 -0.327 0.000 2.939 72 T HA -0.183 3.971 4.350 -0.327 0.000 0.254 72 T C 1.369 175.970 174.700 -0.164 0.000 1.041 72 T CA 4.120 66.009 62.100 -0.352 0.000 1.142 72 T CB 0.367 68.879 68.868 -0.593 0.000 0.874 72 T HN -0.204 7.637 8.240 -0.361 0.182 0.452 73 V N -1.006 118.835 119.914 -0.122 0.000 2.913 73 V HA -0.376 3.702 4.120 -0.069 0.000 0.260 73 V C 1.205 177.290 176.094 -0.015 0.000 1.098 73 V CA 3.303 65.565 62.300 -0.063 0.000 1.121 73 V CB -0.339 31.451 31.823 -0.055 0.000 0.714 73 V HN -0.279 7.819 8.190 -0.154 0.000 0.487 74 H N 0.523 119.534 119.070 -0.098 0.000 2.333 74 H HA -0.255 4.268 4.556 -0.055 0.000 0.302 74 H C 1.728 177.020 175.328 -0.059 0.000 1.075 74 H CA 3.878 59.885 56.048 -0.069 0.000 1.348 74 H CB 0.144 29.866 29.762 -0.067 0.000 1.393 74 H HN -0.102 8.157 8.280 0.054 0.054 0.509 75 L N -3.261 117.905 121.223 -0.095 0.000 2.599 75 L HA -0.099 4.206 4.340 -0.210 -0.091 0.230 75 L C 0.003 176.809 176.870 -0.108 0.000 1.141 75 L CA 0.467 55.227 54.840 -0.133 0.000 0.877 75 L CB -0.342 41.676 42.059 -0.067 0.000 1.009 75 L HN -0.782 7.445 8.230 -0.006 0.000 0.447 76 N N -1.413 117.230 118.700 -0.096 0.000 3.105 76 N HA -0.007 4.695 4.740 -0.063 0.000 0.256 76 N C -1.345 174.124 175.510 -0.069 0.000 1.174 76 N CA 0.212 53.220 53.050 -0.071 0.000 1.030 76 N CB -0.886 37.565 38.487 -0.060 0.000 1.305 76 N HN -0.689 7.489 8.380 -0.091 0.148 0.509 77 K N -0.556 119.798 120.400 -0.077 0.000 2.743 77 K HA 0.078 4.369 4.320 -0.049 0.000 0.293 77 K C -1.079 175.483 176.600 -0.064 0.000 0.874 77 K CA -0.678 55.568 56.287 -0.067 0.000 0.675 77 K CB 0.270 32.724 32.500 -0.078 0.000 1.317 77 K HN -0.721 7.563 8.250 -0.081 -0.083 0.354 78 L N 0.782 121.970 121.223 -0.058 0.000 2.719 78 L HA 0.259 4.572 4.340 -0.044 0.000 0.236 78 L C -0.827 176.008 176.870 -0.058 0.000 1.285 78 L CA -0.565 54.246 54.840 -0.049 0.000 1.222 78 L CB -2.775 39.263 42.059 -0.034 0.000 1.493 78 L HN 0.254 8.451 8.230 -0.055 0.000 0.415 79 E N 1.337 121.490 120.200 -0.079 0.000 2.222 79 E HA 0.146 4.453 4.350 -0.072 0.000 0.272 79 E C -0.858 175.705 176.600 -0.061 0.000 0.982 79 E CA -0.785 55.562 56.400 -0.088 0.000 0.842 79 E CB 1.375 30.980 29.700 -0.159 0.000 1.144 79 E HN -0.595 7.650 8.360 -0.086 0.064 0.397 80 R N 2.929 123.403 120.500 -0.044 0.000 2.521 80 R HA 0.176 4.499 4.340 -0.028 0.000 0.295 80 R C -0.831 175.461 176.300 -0.012 0.000 1.183 80 R CA 0.374 56.458 56.100 -0.026 0.000 0.957 80 R CB 0.164 30.451 30.300 -0.021 0.000 1.171 80 R HN 0.266 8.511 8.270 -0.042 0.000 0.494 81 E N 2.882 123.079 120.200 -0.005 0.000 3.601 81 E HA 0.033 4.396 4.350 0.022 0.000 0.142 81 E C -1.179 175.437 176.600 0.027 0.000 0.966 81 E CA 0.102 56.513 56.400 0.019 0.000 1.527 81 E CB 0.024 29.743 29.700 0.033 0.000 1.089 81 E HN 0.359 8.712 8.360 -0.013 0.000 0.383 82 E N -0.748 119.460 120.200 0.013 0.000 2.368 82 E HA -0.053 4.309 4.350 0.020 0.000 0.188 82 E C -0.951 175.661 176.600 0.019 0.000 1.061 82 E CA -0.026 56.382 56.400 0.014 0.000 0.933 82 E CB -0.011 29.689 29.700 0.000 0.000 1.091 82 E HN 0.278 8.641 8.360 0.004 0.000 0.458 83 N N -1.800 116.919 118.700 0.033 0.000 2.867 83 N HA 0.054 4.803 4.740 0.015 0.000 0.326 83 N C 1.139 176.697 175.510 0.081 0.000 1.355 83 N CA -0.740 52.332 53.050 0.036 0.000 0.830 83 N CB 0.995 39.501 38.487 0.031 0.000 1.152 83 N HN -0.381 7.910 8.380 0.038 0.111 0.569 84 L N 0.312 121.597 121.223 0.102 0.000 2.187 84 L HA -0.181 4.332 4.340 0.288 0.000 0.213 84 L C 2.120 179.165 176.870 0.292 0.000 1.100 84 L CA 2.975 57.960 54.840 0.241 0.000 0.765 84 L CB -0.653 41.554 42.059 0.246 0.000 0.904 84 L HN 0.283 8.552 8.230 0.065 0.000 0.437 85 V N -0.935 119.092 119.914 0.189 0.000 2.527 85 V HA -0.564 3.758 4.120 0.336 0.000 0.255 85 V C 1.273 177.502 176.094 0.226 0.000 1.081 85 V CA 3.281 65.715 62.300 0.223 0.000 1.092 85 V CB -0.299 31.600 31.823 0.127 0.000 0.673 85 V HN -0.055 8.180 8.190 0.124 0.029 0.470 86 S N 0.146 115.947 115.700 0.168 0.000 2.359 86 S HA -0.378 4.281 4.470 0.125 -0.114 0.222 86 S C 2.079 176.753 174.600 0.124 0.000 1.038 86 S CA 3.774 62.052 58.200 0.130 0.000 1.051 86 S CB -0.606 62.650 63.200 0.094 0.000 0.944 86 S HN -0.440 7.922 8.310 0.156 0.042 0.433 87 A N 0.648 123.492 122.820 0.041 0.000 1.935 87 A HA -0.107 4.220 4.320 0.012 0.000 0.214 87 A C 2.007 179.594 177.584 0.005 0.000 1.178 87 A CA 2.168 54.084 52.037 -0.201 0.000 0.640 87 A CB -0.641 17.633 19.000 -1.211 0.000 0.825 87 A HN -0.460 7.761 8.150 0.119 0.000 0.447 88 F N -0.537 119.367 119.950 -0.078 0.000 2.271 88 F HA -0.343 4.321 4.527 -0.021 -0.150 0.302 88 F C 0.600 176.424 175.800 0.040 0.000 1.063 88 F CA 2.494 60.500 58.000 0.011 0.000 1.362 88 F CB 0.091 39.148 39.000 0.094 0.000 1.060 88 F HN 0.163 8.625 8.300 0.270 0.000 0.521 89 S N -2.821 112.970 115.700 0.152 0.000 2.404 89 S HA -0.243 4.238 4.470 0.019 0.000 0.223 89 S C 1.468 176.131 174.600 0.106 0.000 1.040 89 S CA 2.889 61.149 58.200 0.101 0.000 0.957 89 S CB 0.396 63.691 63.200 0.158 0.000 0.826 89 S HN -0.469 7.908 8.310 0.212 0.060 0.491 90 Y N 1.714 122.062 120.300 0.080 0.000 2.190 90 Y HA -0.251 4.327 4.550 0.047 0.000 0.290 90 Y C 1.837 177.800 175.900 0.105 0.000 1.115 90 Y CA 3.752 61.918 58.100 0.109 0.000 1.107 90 Y CB 0.495 39.079 38.460 0.207 0.000 1.033 90 Y HN -0.856 7.545 8.280 0.334 0.080 0.502 91 F N -2.535 117.415 119.950 0.001 0.000 2.025 91 F HA -0.345 4.115 4.527 -0.112 0.000 0.297 91 F C 2.158 177.828 175.800 -0.217 0.000 1.132 91 F CA 1.989 59.898 58.000 -0.153 0.000 1.191 91 F CB -0.366 38.443 39.000 -0.319 0.000 0.963 91 F HN -0.271 8.457 8.300 0.833 0.073 0.481 92 D N -0.584 119.782 120.400 -0.057 0.000 2.885 92 D HA 0.007 4.530 4.640 -0.194 0.000 0.234 92 D C 0.840 176.971 176.300 -0.282 0.000 1.129 92 D CA 0.565 54.398 54.000 -0.278 0.000 0.991 92 D CB -1.872 38.488 40.800 -0.733 0.000 1.137 92 D HN -0.330 7.923 8.370 -0.018 0.106 0.459 93 K N 0.796 121.075 120.400 -0.201 0.000 2.052 93 K HA -0.399 4.030 4.320 -0.201 -0.230 0.215 93 K C 1.294 177.782 176.600 -0.187 0.000 1.053 93 K CA 3.113 59.275 56.287 -0.210 0.000 0.934 93 K CB -0.034 32.318 32.500 -0.247 0.000 0.717 93 K HN 0.008 8.046 8.250 -0.175 0.106 0.450 94 D N -4.479 115.816 120.400 -0.174 0.000 2.264 94 D HA -0.165 4.400 4.640 -0.124 0.000 0.208 94 D C 0.367 176.544 176.300 -0.205 0.000 0.966 94 D CA 0.458 54.367 54.000 -0.151 0.000 0.864 94 D CB 0.344 41.081 40.800 -0.104 0.000 0.933 94 D HN -0.458 7.814 8.370 -0.162 0.000 0.499 95 G N -0.259 108.346 108.800 -0.325 0.000 2.352 95 G HA2 -0.318 3.157 3.960 -0.824 0.000 0.283 95 G HA3 -0.318 3.429 3.960 -0.355 0.000 0.283 95 G C 0.380 175.086 174.900 -0.324 0.000 0.946 95 G CA 1.158 45.982 45.100 -0.459 0.000 1.317 95 G HN -0.238 7.676 8.290 -0.338 0.173 0.478 96 S N 0.905 116.373 115.700 -0.386 0.000 2.554 96 S HA 0.062 4.386 4.470 -0.244 0.000 0.227 96 S C 0.655 175.011 174.600 -0.406 0.000 1.050 96 S CA -0.231 57.741 58.200 -0.379 0.000 0.927 96 S CB 1.896 64.803 63.200 -0.487 0.000 0.859 96 S HN -0.141 7.891 8.310 -0.464 0.000 0.494 97 G N 0.138 108.714 108.800 -0.374 0.000 2.370 97 G HA2 -0.184 4.102 3.960 0.544 0.000 0.174 97 G HA3 -0.184 3.771 3.960 -0.009 0.000 0.174 97 G C -2.247 172.707 174.900 0.089 0.000 1.002 97 G CA 0.080 45.191 45.100 0.018 0.000 0.730 97 G HN -0.168 7.835 8.290 -0.479 0.000 0.497 98 Y N -3.704 116.642 120.300 0.077 0.000 2.625 98 Y HA 0.669 5.438 4.550 0.154 -0.127 0.338 98 Y C -2.432 173.466 175.900 -0.003 0.000 1.123 98 Y CA -3.281 54.867 58.100 0.080 0.000 1.046 98 Y CB 2.395 40.902 38.460 0.078 0.000 1.299 98 Y HN -0.831 7.101 8.280 -0.536 0.026 0.464 99 I N 1.198 121.935 120.570 0.279 0.000 2.493 99 I HA 0.331 4.747 4.170 0.117 -0.176 0.279 99 I C -0.204 175.958 176.117 0.075 0.000 1.045 99 I CA -1.308 60.071 61.300 0.131 0.000 1.106 99 I CB 2.699 40.742 38.000 0.072 0.000 1.216 99 I HN 0.509 8.767 8.210 0.283 0.122 0.459 100 T N 4.392 118.965 114.554 0.032 0.000 2.918 100 T HA 0.104 4.437 4.350 -0.029 0.000 0.302 100 T C 1.787 176.474 174.700 -0.022 0.000 1.045 100 T CA -0.302 61.785 62.100 -0.022 0.000 1.114 100 T CB 1.253 70.088 68.868 -0.054 0.000 0.965 100 T HN 0.188 8.462 8.240 0.056 0.000 0.540 101 L N -0.595 120.615 121.223 -0.022 0.000 2.198 101 L HA -0.472 3.856 4.340 -0.020 0.000 0.218 101 L C 1.245 178.087 176.870 -0.047 0.000 1.084 101 L CA 3.787 58.611 54.840 -0.026 0.000 0.779 101 L CB -1.310 40.738 42.059 -0.020 0.000 0.890 101 L HN -0.212 8.006 8.230 -0.020 0.000 0.439 102 D N -0.175 120.197 120.400 -0.046 0.000 2.103 102 D HA -0.426 4.182 4.640 -0.054 0.000 0.190 102 D C 2.527 178.777 176.300 -0.082 0.000 0.997 102 D CA 3.633 57.599 54.000 -0.056 0.000 0.833 102 D CB -0.869 39.903 40.800 -0.047 0.000 0.961 102 D HN 0.051 8.363 8.370 -0.040 0.035 0.447 103 E N -0.547 119.604 120.200 -0.083 0.000 2.152 103 E HA -0.183 4.082 4.350 -0.142 0.000 0.192 103 E C 2.700 179.195 176.600 -0.175 0.000 0.983 103 E CA 2.169 58.495 56.400 -0.122 0.000 0.818 103 E CB 0.077 29.721 29.700 -0.094 0.000 0.758 103 E HN -0.174 8.151 8.360 -0.058 0.000 0.467 104 I N 0.682 121.172 120.570 -0.134 0.000 2.094 104 I HA -0.573 3.455 4.170 -0.236 0.000 0.234 104 I C 1.932 177.897 176.117 -0.254 0.000 1.063 104 I CA 4.596 65.791 61.300 -0.175 0.000 1.328 104 I CB 0.112 38.079 38.000 -0.055 0.000 1.058 104 I HN -0.157 7.901 8.210 -0.083 0.102 0.400 105 Q N -2.067 117.637 119.800 -0.160 0.000 2.135 105 Q HA -0.400 3.839 4.340 -0.167 0.000 0.204 105 Q C 2.936 178.833 176.000 -0.171 0.000 0.981 105 Q CA 2.973 58.687 55.803 -0.148 0.000 0.856 105 Q CB -0.288 28.405 28.738 -0.075 0.000 0.902 105 Q HN 0.270 8.364 8.270 -0.109 0.111 0.425 106 Q N 0.767 120.470 119.800 -0.160 0.000 2.096 106 Q HA -0.298 3.979 4.340 -0.105 0.000 0.204 106 Q C 1.694 177.583 176.000 -0.186 0.000 0.982 106 Q CA 2.686 58.402 55.803 -0.146 0.000 0.850 106 Q CB -0.090 28.566 28.738 -0.136 0.000 0.901 106 Q HN -0.197 7.973 8.270 -0.148 0.011 0.422 107 A N -3.170 119.471 122.820 -0.299 0.000 2.259 107 A HA -0.128 4.083 4.320 -0.181 0.000 0.212 107 A C 0.457 177.819 177.584 -0.369 0.000 1.178 107 A CA 1.376 53.201 52.037 -0.352 0.000 0.734 107 A CB -0.460 18.128 19.000 -0.687 0.000 0.774 107 A HN -0.437 7.520 8.150 -0.322 0.000 0.481 108 C N -0.997 118.084 119.300 -0.365 0.000 2.513 108 C HA 0.209 4.371 4.460 -0.495 0.000 0.281 108 C C -0.191 174.773 174.990 -0.044 0.000 1.501 108 C CA -1.287 57.492 59.018 -0.400 0.000 1.749 108 C CB 0.601 27.947 27.740 -0.658 0.000 2.955 108 C HN -0.516 7.290 8.230 -0.301 0.244 0.532 109 K N 1.591 121.991 120.400 -0.000 0.000 2.103 109 K HA -0.321 4.008 4.320 0.016 0.000 0.207 109 K C 1.184 177.830 176.600 0.076 0.000 1.048 109 K CA 3.507 59.815 56.287 0.036 0.000 0.930 109 K CB -0.653 31.868 32.500 0.034 0.000 0.716 109 K HN -0.634 7.536 8.250 -0.018 0.069 0.444 110 D N -0.617 119.857 120.400 0.124 0.000 2.277 110 D HA -0.150 4.493 4.640 0.005 0.000 0.208 110 D C 0.692 177.031 176.300 0.065 0.000 0.962 110 D CA 1.579 55.611 54.000 0.054 0.000 0.865 110 D CB -0.556 40.212 40.800 -0.053 0.000 0.939 110 D HN 0.139 8.585 8.370 0.151 0.015 0.510 111 F N -2.927 116.953 119.950 -0.117 0.000 2.748 111 F HA 0.013 4.474 4.527 -0.109 0.000 0.299 111 F C 0.546 176.309 175.800 -0.062 0.000 1.154 111 F CA -0.122 57.825 58.000 -0.088 0.000 1.446 111 F CB 0.179 39.149 39.000 -0.050 0.000 1.112 111 F HN -0.917 7.537 8.300 0.541 0.171 0.584 112 G N -0.212 108.654 108.800 0.111 0.000 2.273 112 G HA2 -0.381 3.598 3.960 0.032 0.000 0.280 112 G HA3 -0.381 3.590 3.960 0.019 0.000 0.280 112 G C 0.347 175.283 174.900 0.060 0.000 1.047 112 G CA 0.088 45.218 45.100 0.049 0.000 0.869 112 G HN -0.713 7.456 8.290 0.114 0.189 0.502 113 L N -4.537 116.731 121.223 0.076 0.000 2.742 113 L HA -0.246 4.146 4.340 0.086 0.000 0.297 113 L C -1.410 175.485 176.870 0.043 0.000 1.238 113 L CA 1.494 56.368 54.840 0.056 0.000 0.895 113 L CB 0.165 42.229 42.059 0.009 0.000 1.166 113 L HN -0.856 7.417 8.230 0.087 0.009 0.494 114 D N 4.357 124.791 120.400 0.057 0.000 2.559 114 D HA 0.196 4.857 4.640 0.034 0.000 0.250 114 D C -1.131 175.201 176.300 0.054 0.000 1.135 114 D CA -0.999 53.032 54.000 0.052 0.000 0.955 114 D CB 3.069 43.905 40.800 0.061 0.000 1.442 114 D HN -0.125 8.291 8.370 0.077 0.000 0.471 115 D N -0.941 119.485 120.400 0.044 0.000 2.355 115 D HA -0.028 4.630 4.640 0.029 0.000 0.218 115 D C 0.029 176.357 176.300 0.047 0.000 1.004 115 D CA 1.455 55.476 54.000 0.036 0.000 0.880 115 D CB -0.084 40.730 40.800 0.023 0.000 0.911 115 D HN 0.534 8.928 8.370 0.039 0.000 0.528 116 I N -3.774 116.844 120.570 0.080 0.000 2.522 116 I HA -0.209 3.997 4.170 0.059 0.000 0.240 116 I C 0.895 177.077 176.117 0.108 0.000 1.078 116 I CA 3.088 64.451 61.300 0.105 0.000 1.422 116 I CB 0.753 38.853 38.000 0.167 0.000 1.188 116 I HN -0.254 7.944 8.210 0.088 0.065 0.442 117 H N -1.122 117.965 119.070 0.029 0.000 2.284 117 H HA -0.094 4.483 4.556 0.036 0.000 0.314 117 H C 2.113 177.470 175.328 0.048 0.000 1.058 117 H CA 3.416 59.488 56.048 0.039 0.000 1.394 117 H CB 0.080 29.869 29.762 0.046 0.000 1.431 117 H HN -0.220 8.243 8.280 0.307 0.000 0.537 118 I N -1.352 119.338 120.570 0.200 0.000 2.623 118 I HA -0.393 3.862 4.170 0.141 0.000 0.261 118 I C 1.427 177.586 176.117 0.069 0.000 1.204 118 I CA 1.667 63.042 61.300 0.125 0.000 1.444 118 I CB -1.181 36.881 38.000 0.103 0.000 1.094 118 I HN 0.049 8.396 8.210 0.228 0.000 0.451 119 D N -0.255 120.181 120.400 0.060 0.000 2.103 119 D HA -0.289 4.364 4.640 0.023 0.000 0.199 119 D C 2.058 178.371 176.300 0.020 0.000 0.978 119 D CA 3.228 57.246 54.000 0.031 0.000 0.829 119 D CB 0.069 40.884 40.800 0.026 0.000 0.981 119 D HN -0.470 7.887 8.370 0.081 0.061 0.464 120 D N 0.116 120.523 120.400 0.011 0.000 2.218 120 D HA -0.221 4.416 4.640 -0.005 0.000 0.204 120 D C 1.786 178.097 176.300 0.017 0.000 0.976 120 D CA 2.327 56.324 54.000 -0.005 0.000 0.853 120 D CB -0.072 40.699 40.800 -0.048 0.000 0.939 120 D HN -0.276 8.017 8.370 0.012 0.085 0.481 121 M N -1.037 118.587 119.600 0.040 0.000 2.279 121 M HA -0.352 4.293 4.480 0.068 -0.124 0.264 121 M C 1.519 177.851 176.300 0.053 0.000 1.062 121 M CA 3.515 58.852 55.300 0.062 0.000 1.099 121 M CB -0.213 32.438 32.600 0.085 0.000 1.394 121 M HN -0.542 7.630 8.290 0.046 0.145 0.426 122 I N -1.280 119.311 120.570 0.035 0.000 2.208 122 I HA -0.450 3.739 4.170 0.033 0.000 0.245 122 I C 1.920 178.057 176.117 0.033 0.000 1.097 122 I CA 3.753 65.071 61.300 0.029 0.000 1.363 122 I CB -0.561 37.447 38.000 0.013 0.000 1.051 122 I HN -0.146 7.918 8.210 0.029 0.163 0.413 123 K N -4.353 116.062 120.400 0.026 0.000 2.400 123 K HA -0.097 4.238 4.320 0.024 0.000 0.194 123 K C 0.873 177.492 176.600 0.031 0.000 1.033 123 K CA 1.169 57.470 56.287 0.023 0.000 1.021 123 K CB -0.937 31.570 32.500 0.012 0.000 0.808 123 K HN -0.594 7.568 8.250 0.022 0.101 0.505 124 E N -2.177 118.048 120.200 0.041 0.000 2.299 124 E HA -0.146 4.227 4.350 0.038 0.000 0.193 124 E C 0.934 177.576 176.600 0.069 0.000 0.998 124 E CA 1.786 58.216 56.400 0.050 0.000 0.851 124 E CB 0.628 30.362 29.700 0.057 0.000 0.795 124 E HN -0.167 8.007 8.360 0.042 0.210 0.492 125 I N -5.806 114.814 120.570 0.083 0.000 3.939 125 I HA 0.061 4.301 4.170 0.116 0.000 0.313 125 I C -0.452 175.726 176.117 0.101 0.000 1.274 125 I CA -1.265 60.103 61.300 0.115 0.000 1.301 125 I CB 0.407 38.502 38.000 0.158 0.000 1.105 125 I HN -0.203 7.934 8.210 0.074 0.118 0.427 126 D N 1.477 121.921 120.400 0.073 0.000 2.359 126 D HA -0.226 4.780 4.640 0.072 -0.323 0.273 126 D C 0.443 176.774 176.300 0.050 0.000 1.362 126 D CA 0.804 54.840 54.000 0.060 0.000 1.010 126 D CB 0.027 40.851 40.800 0.039 0.000 1.090 126 D HN -0.567 7.753 8.370 0.064 0.088 0.521 127 Q N 5.627 125.461 119.800 0.057 0.000 2.424 127 Q HA -0.084 4.275 4.340 0.032 0.000 0.204 127 Q C -0.667 175.352 176.000 0.031 0.000 0.933 127 Q CA 1.312 57.138 55.803 0.039 0.000 0.929 127 Q CB 0.643 29.403 28.738 0.037 0.000 1.037 127 Q HN 0.002 8.432 8.270 0.074 -0.116 0.511 128 D N -3.806 116.615 120.400 0.036 0.000 2.403 128 D HA 0.109 4.762 4.640 0.022 0.000 0.280 128 D C -0.234 176.079 176.300 0.021 0.000 1.091 128 D CA 0.639 54.656 54.000 0.028 0.000 0.884 128 D CB 2.357 43.178 40.800 0.035 0.000 1.427 128 D HN -0.554 8.140 8.370 0.044 -0.297 0.504 129 N N -2.656 116.055 118.700 0.019 0.000 2.576 129 N HA -0.121 4.637 4.740 0.009 -0.013 0.322 129 N C 0.244 175.756 175.510 0.003 0.000 0.629 129 N CA 0.630 53.686 53.050 0.009 0.000 1.300 129 N CB 0.103 38.593 38.487 0.004 0.000 1.918 129 N HN -0.271 8.394 8.380 0.026 -0.270 1.665 130 D N 2.204 122.600 120.400 -0.006 0.000 2.389 130 D HA -0.017 4.611 4.640 -0.021 0.000 0.250 130 D C 0.266 176.559 176.300 -0.011 0.000 1.136 130 D CA 0.622 54.610 54.000 -0.020 0.000 0.945 130 D CB -1.460 39.310 40.800 -0.050 0.000 0.890 130 D HN 0.124 8.491 8.370 -0.006 0.000 0.525 131 G N -3.034 105.770 108.800 0.006 0.000 2.305 131 G HA2 -0.454 3.685 3.960 0.025 0.000 0.287 131 G HA3 -0.454 3.509 3.960 0.006 0.000 0.287 131 G C -1.864 173.048 174.900 0.019 0.000 1.036 131 G CA 0.689 45.797 45.100 0.014 0.000 0.887 131 G HN -0.482 8.119 8.290 0.011 -0.303 0.505 132 Q N -4.111 115.707 119.800 0.031 0.000 2.587 132 Q HA 0.804 5.254 4.340 0.042 -0.085 0.293 132 Q C -1.958 174.103 176.000 0.101 0.000 1.083 132 Q CA -2.573 53.258 55.803 0.046 0.000 0.792 132 Q CB 4.057 32.800 28.738 0.008 0.000 1.484 132 Q HN -0.845 7.604 8.270 0.032 -0.159 0.446 133 I N 0.469 121.125 120.570 0.143 0.000 2.478 133 I HA 0.262 4.652 4.170 0.203 -0.098 0.287 133 I C -1.786 174.490 176.117 0.265 0.000 1.042 133 I CA -1.692 59.736 61.300 0.212 0.000 1.067 133 I CB 3.042 41.196 38.000 0.255 0.000 1.233 133 I HN 0.610 8.763 8.210 0.128 0.133 0.431 134 D N 6.963 127.541 120.400 0.296 0.000 2.340 134 D HA 0.126 5.077 4.640 0.413 -0.063 0.243 134 D C 0.300 176.860 176.300 0.432 0.000 0.988 134 D CA -1.825 52.403 54.000 0.381 0.000 0.959 134 D CB 2.538 43.552 40.800 0.358 0.000 1.226 134 D HN -0.120 8.472 8.370 0.251 -0.072 0.509 135 Y N 2.035 122.607 120.300 0.453 0.000 2.215 135 Y HA -0.418 4.329 4.550 0.329 0.000 0.282 135 Y C 0.245 176.226 175.900 0.136 0.000 1.207 135 Y CA 3.033 61.289 58.100 0.261 0.000 1.196 135 Y CB -0.079 38.355 38.460 -0.043 0.000 0.969 135 Y HN 0.401 9.029 8.280 0.770 0.114 0.528 136 G N -3.704 105.082 108.800 -0.024 0.000 2.408 136 G HA2 -0.190 3.523 3.960 -0.411 0.000 0.213 136 G HA3 -0.190 3.939 3.960 -0.049 -0.199 0.213 136 G C 0.519 175.389 174.900 -0.050 0.000 1.177 136 G CA 0.944 45.952 45.100 -0.155 0.000 0.802 136 G HN -0.191 8.462 8.290 0.203 -0.241 0.533 137 E N 3.193 123.441 120.200 0.081 0.000 2.031 137 E HA -0.321 4.060 4.350 0.052 0.000 0.193 137 E C 2.027 178.705 176.600 0.130 0.000 0.994 137 E CA 2.463 58.925 56.400 0.103 0.000 0.800 137 E CB -0.105 29.686 29.700 0.152 0.000 0.752 137 E HN -0.380 8.409 8.360 0.140 -0.345 0.447 138 F N -0.864 119.115 119.950 0.047 0.000 2.373 138 F HA -0.333 4.225 4.527 0.051 0.000 0.300 138 F C 0.387 176.162 175.800 -0.042 0.000 1.080 138 F CA 2.286 60.309 58.000 0.038 0.000 1.417 138 F CB -0.006 39.057 39.000 0.105 0.000 1.070 138 F HN 0.326 8.730 8.300 0.366 0.116 0.546 139 A N -3.273 119.458 122.820 -0.148 0.000 1.911 139 A HA -0.188 3.927 4.320 -0.343 0.000 0.212 139 A C 0.883 178.339 177.584 -0.213 0.000 1.189 139 A CA 1.946 53.819 52.037 -0.274 0.000 0.639 139 A CB 0.548 19.330 19.000 -0.363 0.000 0.839 139 A HN -0.213 7.782 8.150 -0.052 0.124 0.449 140 A N -2.268 120.471 122.820 -0.135 0.000 2.178 140 A HA 0.033 4.292 4.320 -0.103 0.000 0.211 140 A C 1.171 178.710 177.584 -0.076 0.000 1.157 140 A CA 1.468 53.450 52.037 -0.093 0.000 0.780 140 A CB 0.138 19.105 19.000 -0.054 0.000 0.828 140 A HN 0.066 7.963 8.150 -0.102 0.192 0.476 141 M N -3.715 115.835 119.600 -0.083 0.000 2.630 141 M HA -0.104 4.370 4.480 -0.009 0.000 0.254 141 M C 0.279 176.526 176.300 -0.088 0.000 1.092 141 M CA 1.773 57.045 55.300 -0.047 0.000 1.087 141 M CB -0.047 32.565 32.600 0.020 0.000 1.453 141 M HN 0.011 8.192 8.290 -0.102 0.048 0.509 142 M N -7.241 112.270 119.600 -0.150 0.000 2.180 142 M HA 0.178 4.605 4.480 -0.088 0.000 0.266 142 M C 0.255 176.490 176.300 -0.109 0.000 1.200 142 M CA 0.652 55.870 55.300 -0.137 0.000 1.101 142 M CB 1.891 34.362 32.600 -0.216 0.000 1.769 142 M HN -0.709 7.399 8.290 -0.176 0.077 0.609 143 R N 1.114 121.541 120.500 -0.122 0.000 2.893 143 R HA 0.178 4.472 4.340 -0.077 0.000 0.159 143 R C -1.317 174.939 176.300 -0.073 0.000 1.366 143 R CA -0.626 55.418 56.100 -0.094 0.000 0.929 143 R CB 1.913 32.148 30.300 -0.109 0.000 1.796 143 R HN -0.679 7.501 8.270 -0.151 0.000 0.464 144 K N -2.767 117.592 120.400 -0.069 0.000 2.263 144 K HA 0.245 4.537 4.320 -0.047 0.000 0.249 144 K C -2.019 174.546 176.600 -0.058 0.000 1.076 144 K CA -1.401 54.854 56.287 -0.053 0.000 0.884 144 K CB 2.686 35.162 32.500 -0.040 0.000 1.394 144 K HN 0.002 8.207 8.250 -0.075 0.000 0.476 145 R N -0.832 119.643 120.500 -0.043 0.000 3.070 145 R HA 0.120 4.427 4.340 -0.055 0.000 0.252 145 R C -0.240 176.040 176.300 -0.034 0.000 1.370 145 R CA -1.051 55.025 56.100 -0.041 0.000 1.482 145 R CB -1.815 28.468 30.300 -0.028 0.000 1.220 145 R HN 0.320 8.569 8.270 -0.034 0.000 0.622 146 K N 3.137 123.513 120.400 -0.040 0.000 2.455 146 K HA -0.131 4.173 4.320 -0.026 0.000 0.269 146 K C 1.327 177.914 176.600 -0.021 0.000 0.972 146 K CA 0.551 56.819 56.287 -0.030 0.000 0.938 146 K CB 0.077 32.557 32.500 -0.034 0.000 0.931 146 K HN -0.375 7.844 8.250 -0.053 0.000 0.507 147 G N -0.959 107.832 108.800 -0.015 0.000 2.985 147 G HA2 -0.066 3.890 3.960 -0.007 0.000 0.209 147 G HA3 -0.066 3.890 3.960 -0.007 0.000 0.209 147 G C -1.201 173.696 174.900 -0.005 0.000 1.165 147 G CA -0.065 45.031 45.100 -0.008 0.000 0.776 147 G HN 0.289 8.570 8.290 -0.015 0.000 0.541 148 N N -1.210 117.486 118.700 -0.007 0.000 2.424 148 N HA 0.039 4.779 4.740 -0.000 0.000 0.257 148 N C 1.598 177.110 175.510 0.004 0.000 1.250 148 N CA -1.105 51.944 53.050 -0.002 0.000 0.946 148 N CB 0.395 38.879 38.487 -0.005 0.000 1.175 148 N HN -0.752 7.557 8.380 -0.012 0.064 0.477 149 G N -1.130 107.676 108.800 0.011 0.000 2.532 149 G HA2 -0.292 3.682 3.960 0.023 0.000 0.222 149 G HA3 -0.292 3.682 3.960 0.023 0.000 0.222 149 G C 0.492 175.414 174.900 0.037 0.000 1.102 149 G CA 1.602 46.715 45.100 0.023 0.000 0.742 149 G HN 0.257 8.552 8.290 0.009 0.000 0.577 150 G N 0.479 109.295 108.800 0.026 0.000 2.562 150 G HA2 -0.294 3.713 3.960 0.077 0.000 0.223 150 G HA3 -0.294 3.768 3.960 0.002 -0.101 0.223 150 G C 0.263 175.170 174.900 0.012 0.000 1.102 150 G CA 0.277 45.396 45.100 0.032 0.000 0.742 150 G HN -0.606 7.786 8.290 0.014 -0.093 0.587 151 I N 0.084 120.653 120.570 -0.001 0.000 2.993 151 I HA -0.432 3.696 4.170 -0.071 0.000 0.301 151 I C -0.654 175.483 176.117 0.033 0.000 1.229 151 I CA 1.387 62.676 61.300 -0.018 0.000 1.435 151 I CB 0.392 38.393 38.000 0.002 0.000 1.328 151 I HN -0.537 7.625 8.210 0.004 0.051 0.584 152 G N 1.271 110.068 108.800 -0.005 0.000 3.934 152 G HA2 0.139 4.211 3.960 0.186 0.000 0.212 152 G HA3 0.139 4.225 3.960 0.209 0.000 0.212 152 G C -0.864 174.100 174.900 0.108 0.000 1.126 152 G CA -0.026 45.149 45.100 0.125 0.000 0.877 152 G HN 0.113 8.367 8.290 -0.060 0.000 0.556 153 R N -0.393 120.127 120.500 0.034 0.000 2.971 153 R HA -0.231 4.550 4.340 0.083 -0.392 0.278 153 R C 0.644 177.001 176.300 0.095 0.000 1.022 153 R CA 0.825 56.962 56.100 0.061 0.000 1.187 153 R CB 0.244 30.560 30.300 0.027 0.000 1.126 153 R HN -0.582 7.680 8.270 -0.013 0.000 0.510 154 R N -0.626 119.933 120.500 0.099 0.000 2.594 154 R HA -0.061 4.355 4.340 0.127 0.000 0.272 154 R C 0.580 176.921 176.300 0.068 0.000 1.074 154 R CA -0.399 55.761 56.100 0.099 0.000 1.105 154 R CB 0.570 30.923 30.300 0.088 0.000 1.008 154 R HN -0.365 8.204 8.270 0.094 -0.243 0.472 155 T N 8.262 122.856 114.554 0.066 0.000 3.057 155 T HA -0.253 4.125 4.350 0.046 0.000 0.232 155 T C -0.152 174.569 174.700 0.035 0.000 1.018 155 T CA 3.113 65.241 62.100 0.048 0.000 1.506 155 T CB -1.769 67.126 68.868 0.046 0.000 1.063 155 T HN 0.458 8.746 8.240 0.080 0.000 0.613 156 M N 3.698 123.316 119.600 0.031 0.000 1.896 156 M HA 0.083 4.575 4.480 0.020 0.000 0.408 156 M C -1.078 175.234 176.300 0.019 0.000 0.895 156 M CA 1.397 56.711 55.300 0.023 0.000 1.171 156 M CB 0.713 33.326 32.600 0.022 0.000 2.403 156 M HN 0.293 8.587 8.290 0.034 0.016 0.882 157 R N 0.156 120.670 120.500 0.022 0.000 2.241 157 R HA -0.220 4.128 4.340 0.012 0.000 0.224 157 R C -0.261 176.046 176.300 0.011 0.000 1.101 157 R CA 1.253 57.361 56.100 0.015 0.000 0.995 157 R CB -0.194 30.114 30.300 0.014 0.000 0.870 157 R HN -0.189 8.099 8.270 0.029 0.000 0.463 158 K N -3.727 116.682 120.400 0.013 0.000 2.928 158 K HA 0.037 4.362 4.320 0.008 0.000 0.279 158 K C -1.026 175.581 176.600 0.012 0.000 2.573 158 K CA 0.548 56.841 56.287 0.011 0.000 1.413 158 K CB 1.164 33.669 32.500 0.010 0.000 2.824 158 K HN -0.222 7.975 8.250 0.017 0.063 0.352 159 T N -2.137 112.426 114.554 0.015 0.000 3.466 159 T HA 0.085 4.444 4.350 0.015 0.000 0.281 159 T C -0.786 173.925 174.700 0.018 0.000 0.857 159 T CA 0.384 62.493 62.100 0.015 0.000 0.961 159 T CB 0.671 69.546 68.868 0.012 0.000 1.211 159 T HN -0.511 7.739 8.240 0.016 0.000 0.559 160 L N 1.539 122.774 121.223 0.019 0.000 2.482 160 L HA 0.214 4.567 4.340 0.021 0.000 0.242 160 L C 0.144 177.032 176.870 0.030 0.000 1.210 160 L CA -0.375 54.478 54.840 0.022 0.000 0.819 160 L CB 0.711 42.783 42.059 0.021 0.000 1.203 160 L HN -0.483 7.758 8.230 0.017 0.000 0.495 161 N N -1.623 117.097 118.700 0.033 0.000 2.107 161 N HA -0.001 4.767 4.740 0.047 0.000 0.230 161 N C -0.404 175.136 175.510 0.051 0.000 1.139 161 N CA 0.798 53.874 53.050 0.043 0.000 1.110 161 N CB 0.888 39.400 38.487 0.042 0.000 1.474 161 N HN -0.082 8.315 8.380 0.029 0.000 0.525 162 L N -2.894 118.358 121.223 0.049 0.000 2.789 162 L HA 0.189 4.560 4.340 0.052 0.000 0.258 162 L C -1.898 174.996 176.870 0.041 0.000 0.966 162 L CA 0.384 55.256 54.840 0.054 0.000 0.916 162 L CB 2.299 44.405 42.059 0.078 0.000 1.475 162 L HN -0.471 7.784 8.230 0.043 0.000 0.418 163 R N 2.866 123.387 120.500 0.035 0.000 2.357 163 R HA 0.147 4.499 4.340 0.020 0.000 0.296 163 R C -0.706 175.602 176.300 0.013 0.000 1.052 163 R CA -0.028 56.085 56.100 0.021 0.000 0.988 163 R CB 0.746 31.056 30.300 0.016 0.000 1.025 163 R HN 0.309 8.604 8.270 0.041 0.000 0.469 164 D N 3.493 123.897 120.400 0.007 0.000 2.341 164 D HA 0.088 4.726 4.640 -0.003 0.000 0.245 164 D C 0.132 176.424 176.300 -0.013 0.000 1.106 164 D CA 0.039 54.038 54.000 -0.002 0.000 0.905 164 D CB 0.838 41.638 40.800 0.001 0.000 1.202 164 D HN 0.149 8.525 8.370 0.009 0.000 0.426 165 A N 1.137 123.942 122.820 -0.025 0.000 2.366 165 A HA -0.013 4.286 4.320 -0.036 0.000 0.250 165 A C 0.857 178.428 177.584 -0.022 0.000 1.099 165 A CA 0.140 52.158 52.037 -0.033 0.000 0.794 165 A CB 0.512 19.483 19.000 -0.048 0.000 1.056 165 A HN 0.019 8.152 8.150 -0.028 0.000 0.499 166 L N -4.301 116.909 121.223 -0.022 0.000 2.529 166 L HA 0.149 4.481 4.340 -0.012 0.000 0.223 166 L C 0.179 177.040 176.870 -0.015 0.000 1.113 166 L CA -0.002 54.829 54.840 -0.015 0.000 0.861 166 L CB -0.172 41.879 42.059 -0.014 0.000 1.012 166 L HN -0.051 8.164 8.230 -0.027 0.000 0.461 167 G N -2.090 106.699 108.800 -0.018 0.000 2.329 167 G HA2 -0.090 3.861 3.960 -0.014 0.000 0.308 167 G HA3 -0.090 3.862 3.960 -0.013 0.000 0.308 167 G C -2.084 172.806 174.900 -0.017 0.000 1.587 167 G CA -0.735 44.355 45.100 -0.016 0.000 0.978 167 G HN -0.395 7.831 8.290 -0.024 0.049 0.685 168 L N 1.917 123.132 121.223 -0.014 0.000 2.309 168 L HA 0.428 4.759 4.340 -0.015 0.000 0.282 168 L C -0.006 176.860 176.870 -0.007 0.000 1.036 168 L CA -0.559 54.274 54.840 -0.011 0.000 0.806 168 L CB 1.142 43.198 42.059 -0.006 0.000 1.220 168 L HN -0.030 8.193 8.230 -0.012 0.000 0.429 169 V N 0.609 120.520 119.914 -0.006 0.000 2.667 169 V HA 0.379 4.497 4.120 -0.003 0.000 0.308 169 V C -1.141 174.954 176.094 0.002 0.000 1.048 169 V CA -0.564 61.734 62.300 -0.003 0.000 0.928 169 V CB 1.062 32.882 31.823 -0.006 0.000 1.004 169 V HN 0.170 8.355 8.190 -0.007 0.000 0.444 170 D N 2.092 122.494 120.400 0.003 0.000 2.623 170 D HA 0.037 4.683 4.640 0.010 0.000 0.241 170 D C -1.245 175.059 176.300 0.007 0.000 1.241 170 D CA -0.682 53.323 54.000 0.008 0.000 0.788 170 D CB 1.335 42.142 40.800 0.011 0.000 1.413 170 D HN -0.284 8.087 8.370 0.001 0.000 0.429 171 N N -0.129 118.578 118.700 0.011 0.000 2.508 171 N HA 0.203 4.947 4.740 0.006 0.000 0.186 171 N C 0.346 175.864 175.510 0.013 0.000 1.034 171 N CA 1.005 54.061 53.050 0.010 0.000 0.885 171 N CB 0.464 38.957 38.487 0.009 0.000 1.135 171 N HN 0.564 8.953 8.380 0.015 0.000 0.435 172 G N -0.269 108.542 108.800 0.019 0.000 2.610 172 G HA2 -0.183 3.790 3.960 0.020 0.000 0.304 172 G HA3 -0.183 3.786 3.960 0.014 0.000 0.304 172 G C -1.936 172.977 174.900 0.022 0.000 1.309 172 G CA -0.039 45.072 45.100 0.019 0.000 0.906 172 G HN 0.476 8.779 8.290 0.023 0.000 0.521 173 S N -1.326 114.386 115.700 0.020 0.000 2.643 173 S HA 0.640 5.122 4.470 0.021 0.000 0.270 173 S C -1.008 173.601 174.600 0.016 0.000 1.166 173 S CA -0.976 57.236 58.200 0.020 0.000 0.815 173 S CB 2.099 65.314 63.200 0.024 0.000 1.139 173 S HN 0.472 8.792 8.310 0.016 0.000 0.472 174 N N -0.276 118.433 118.700 0.016 0.000 2.906 174 N HA 0.172 4.920 4.740 0.013 0.000 0.327 174 N C -1.458 174.061 175.510 0.015 0.000 1.344 174 N CA -0.402 52.657 53.050 0.014 0.000 0.823 174 N CB 0.896 39.393 38.487 0.016 0.000 1.351 174 N HN 0.181 8.571 8.380 0.018 0.000 0.604 175 Q N 1.200 121.009 119.800 0.015 0.000 2.398 175 Q HA 0.263 4.611 4.340 0.014 0.000 0.251 175 Q C -0.821 175.191 176.000 0.021 0.000 0.999 175 Q CA -0.395 55.417 55.803 0.015 0.000 0.874 175 Q CB 0.082 28.828 28.738 0.012 0.000 1.215 175 Q HN 0.243 8.522 8.270 0.014 0.000 0.470 176 V N 1.452 121.380 119.914 0.024 0.000 2.735 176 V HA 0.394 4.537 4.120 0.038 0.000 0.310 176 V C -1.031 175.085 176.094 0.037 0.000 1.061 176 V CA -0.658 61.663 62.300 0.034 0.000 0.913 176 V CB 1.427 33.270 31.823 0.034 0.000 1.005 176 V HN 0.120 8.322 8.190 0.020 0.000 0.428 177 I N 4.236 124.837 120.570 0.053 0.000 2.465 177 I HA 0.250 4.448 4.170 0.047 0.000 0.291 177 I C -0.962 175.209 176.117 0.090 0.000 1.014 177 I CA -0.374 60.962 61.300 0.060 0.000 1.093 177 I CB 1.518 39.550 38.000 0.053 0.000 1.267 177 I HN 0.126 8.373 8.210 0.062 0.000 0.431 178 E N 7.162 127.411 120.200 0.082 0.000 2.293 178 E HA 0.138 4.576 4.350 0.147 0.000 0.270 178 E C -1.363 175.301 176.600 0.108 0.000 0.879 178 E CA -0.272 56.186 56.400 0.097 0.000 0.756 178 E CB 1.711 31.435 29.700 0.039 0.000 1.208 178 E HN 0.181 8.578 8.360 0.062 0.000 0.428 179 G N 4.137 113.033 108.800 0.159 0.000 4.314 179 G HA2 0.030 4.033 3.960 0.071 0.000 0.166 179 G HA3 0.030 4.161 3.960 0.285 0.000 0.166 179 G C -0.167 174.827 174.900 0.156 0.000 1.213 179 G CA 0.961 46.166 45.100 0.174 0.000 1.027 179 G HN 0.459 8.863 8.290 0.189 0.000 0.352 180 Y N -0.607 119.744 120.300 0.085 0.000 2.478 180 Y HA 0.256 4.848 4.550 0.069 0.000 0.261 180 Y C -0.823 175.180 175.900 0.171 0.000 1.127 180 Y CA -1.895 56.263 58.100 0.097 0.000 1.288 180 Y CB 0.739 39.248 38.460 0.081 0.000 1.084 180 Y HN -0.292 8.342 8.280 0.590 0.000 0.530 181 F N 1.894 121.934 119.950 0.150 0.000 2.469 181 F HA 0.314 4.888 4.527 0.078 0.000 0.332 181 F C -1.442 174.387 175.800 0.048 0.000 1.103 181 F CA -1.110 56.939 58.000 0.082 0.000 0.979 181 F CB 1.409 40.449 39.000 0.066 0.000 1.137 181 F HN -0.606 7.886 8.300 0.393 0.044 0.463 182 K N 0.000 120.017 120.400 -0.638 0.000 2.780 182 K HA 0.000 3.986 4.320 -0.557 0.000 0.191 182 K CA 0.000 55.947 56.287 -0.567 0.000 0.838 182 K CB 0.000 32.364 32.500 -0.227 0.000 1.064 182 K HN 0.000 7.941 8.250 -0.515 0.000 0.543