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 1g7e_17_A DATA FIRST_RESID 33 DATA SEQUENCE LHTKGALPLD TVTFYKVIPK SKFVLVKFDT QYPYGEKQDE FKRLAENSAS DATA SEQUENCE SDDLLVAEVG ISDYGDKLNM ELSEKYKLDK ESYPVFYLFR DGDFENPVPY DATA SEQUENCE SGAVKVGAIQ RWLKGQGVYL GM 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 33 L HA 0.000 4.259 4.340 -0.135 0.000 0.249 33 L C 0.000 177.003 176.870 0.222 0.000 1.165 33 L CA 0.000 54.817 54.840 -0.039 0.000 0.813 33 L CB 0.000 41.954 42.059 -0.175 0.000 0.961 34 H N -1.097 118.051 119.070 0.129 0.000 2.864 34 H HA 0.390 5.171 4.556 0.126 -0.149 0.354 34 H C -0.922 174.438 175.328 0.053 0.000 1.208 34 H CA -2.750 53.355 56.048 0.095 0.000 1.191 34 H CB 1.411 31.202 29.762 0.048 0.000 1.889 34 H HN 0.137 8.257 8.280 -0.267 0.000 0.574 35 T N -0.130 114.593 114.554 0.281 0.000 2.908 35 T HA -0.208 4.167 4.350 0.041 0.000 0.325 35 T C 0.400 175.206 174.700 0.176 0.000 1.092 35 T CA 1.303 63.472 62.100 0.115 0.000 1.125 35 T CB 0.597 69.448 68.868 -0.028 0.000 1.016 35 T HN 0.199 8.957 8.240 0.198 -0.399 0.550 36 K N 8.093 128.519 120.400 0.044 0.000 3.000 36 K HA 0.066 4.425 4.320 0.064 0.000 0.239 36 K C -0.689 175.901 176.600 -0.017 0.000 1.269 36 K CA -1.219 55.082 56.287 0.023 0.000 1.220 36 K CB -2.584 29.914 32.500 -0.004 0.000 1.645 36 K HN 0.624 8.866 8.250 -0.012 0.000 0.423 37 G N -2.933 105.855 108.800 -0.020 0.000 2.157 37 G HA2 -0.251 3.692 3.960 -0.028 0.000 0.118 37 G HA3 -0.251 3.680 3.960 -0.048 0.000 0.118 37 G C -1.604 173.240 174.900 -0.093 0.000 1.032 37 G CA -0.460 44.611 45.100 -0.047 0.000 0.697 37 G HN -0.525 7.720 8.290 0.014 0.054 0.495 38 A N -1.226 121.526 122.820 -0.114 0.000 2.387 38 A HA 0.308 4.538 4.320 -0.149 0.000 0.298 38 A C -1.632 175.891 177.584 -0.101 0.000 1.165 38 A CA -1.667 50.279 52.037 -0.151 0.000 0.814 38 A CB 2.516 21.363 19.000 -0.255 0.000 1.357 38 A HN -0.587 7.513 8.150 -0.084 0.000 0.443 39 L N -0.469 120.706 121.223 -0.079 0.000 2.578 39 L HA 0.099 4.407 4.340 -0.054 0.000 0.279 39 L C -0.984 175.832 176.870 -0.089 0.000 1.227 39 L CA -1.000 53.805 54.840 -0.059 0.000 0.900 39 L CB 0.842 42.887 42.059 -0.024 0.000 1.144 39 L HN -0.199 7.983 8.230 -0.079 0.000 0.496 40 P HA 0.061 4.317 4.420 -0.273 0.000 0.238 40 P C -0.957 176.264 177.300 -0.132 0.000 1.729 40 P CA -0.045 62.928 63.100 -0.213 0.000 1.055 40 P CB -2.350 29.179 31.700 -0.286 0.000 1.980 41 L N -1.426 119.759 121.223 -0.063 0.000 2.793 41 L HA 0.270 4.603 4.340 -0.012 0.000 0.188 41 L C -0.564 176.327 176.870 0.036 0.000 1.949 41 L CA -0.981 53.861 54.840 0.002 0.000 2.556 41 L CB 0.864 42.949 42.059 0.043 0.000 2.898 41 L HN -0.222 7.913 8.230 -0.063 0.057 0.621 42 D N -5.857 114.584 120.400 0.068 0.000 4.065 42 D HA -0.185 4.466 4.640 0.019 0.000 0.269 42 D C 0.440 176.674 176.300 -0.110 0.000 1.946 42 D CA 1.067 55.079 54.000 0.020 0.000 1.198 42 D CB -0.457 40.408 40.800 0.108 0.000 0.879 42 D HN -0.250 8.205 8.370 0.142 0.000 1.080 43 T N 2.274 116.768 114.554 -0.100 0.000 2.217 43 T HA -0.470 3.718 4.350 -0.270 0.000 0.206 43 T C 1.331 175.972 174.700 -0.098 0.000 1.634 43 T CA 3.674 65.710 62.100 -0.106 0.000 1.183 43 T CB -0.002 68.952 68.868 0.144 0.000 0.861 43 T HN -0.228 8.144 8.240 -0.019 -0.143 0.392 44 V N -2.722 117.241 119.914 0.082 0.000 2.255 44 V HA -0.233 4.043 4.120 0.261 0.000 0.247 44 V C 1.117 177.261 176.094 0.083 0.000 1.051 44 V CA 4.290 66.674 62.300 0.141 0.000 1.018 44 V CB -0.340 31.554 31.823 0.118 0.000 0.641 44 V HN 0.522 8.781 8.190 0.114 0.000 0.445 45 T N -3.740 110.833 114.554 0.031 0.000 2.995 45 T HA -0.216 4.153 4.350 0.032 0.000 0.269 45 T C 1.255 175.945 174.700 -0.017 0.000 1.091 45 T CA 1.969 64.076 62.100 0.012 0.000 1.128 45 T CB 0.380 69.246 68.868 -0.003 0.000 0.891 45 T HN -0.434 7.830 8.240 0.040 0.000 0.492 46 F N 5.050 124.806 119.950 -0.323 0.000 2.046 46 F HA -0.451 3.912 4.527 -0.272 0.000 0.297 46 F C 0.459 175.988 175.800 -0.452 0.000 1.123 46 F CA 4.688 62.419 58.000 -0.449 0.000 1.199 46 F CB 0.083 38.663 39.000 -0.699 0.000 0.972 46 F HN 0.188 8.438 8.300 -0.084 0.000 0.474 47 Y N -5.874 114.405 120.300 -0.035 0.000 2.632 47 Y HA -0.182 4.057 4.550 -0.518 0.000 0.301 47 Y C 0.889 176.794 175.900 0.008 0.000 1.172 47 Y CA 1.290 59.238 58.100 -0.253 0.000 1.328 47 Y CB -1.046 37.210 38.460 -0.340 0.000 1.016 47 Y HN -0.420 7.469 8.280 -0.652 0.000 0.529 48 K N -0.872 119.592 120.400 0.107 0.000 2.286 48 K HA -0.010 4.381 4.320 0.119 0.000 0.203 48 K C 0.825 177.451 176.600 0.044 0.000 1.078 48 K CA 1.321 57.661 56.287 0.088 0.000 0.957 48 K CB 1.502 34.042 32.500 0.066 0.000 1.018 48 K HN -0.376 7.666 8.250 0.036 0.230 0.484 49 V N -0.468 119.443 119.914 -0.004 0.000 2.649 49 V HA -0.244 3.868 4.120 -0.014 0.000 0.248 49 V C 2.231 178.287 176.094 -0.063 0.000 1.054 49 V CA 3.233 65.514 62.300 -0.031 0.000 1.073 49 V CB 0.471 32.269 31.823 -0.042 0.000 0.699 49 V HN 0.119 8.188 8.190 -0.018 0.110 0.463 50 I N 1.067 121.570 120.570 -0.111 0.000 2.163 50 I HA -0.299 3.753 4.170 -0.195 0.000 0.243 50 I C -1.365 174.724 176.117 -0.046 0.000 1.085 50 I CA 5.749 66.961 61.300 -0.147 0.000 1.347 50 I CB -2.692 35.139 38.000 -0.281 0.000 1.044 50 I HN 0.254 8.389 8.210 -0.124 0.000 0.408 51 P HA -0.214 4.199 4.420 -0.013 0.000 0.229 51 P C -0.501 176.798 177.300 -0.002 0.000 1.147 51 P CA 1.615 64.727 63.100 0.021 0.000 0.766 51 P CB -0.537 31.207 31.700 0.072 0.000 0.775 52 K N -3.030 117.363 120.400 -0.010 0.000 2.972 52 K HA 0.215 4.532 4.320 -0.005 0.000 0.209 52 K C -1.626 174.967 176.600 -0.012 0.000 1.128 52 K CA -0.435 55.848 56.287 -0.007 0.000 1.024 52 K CB 1.138 33.640 32.500 0.002 0.000 0.754 52 K HN -0.586 7.531 8.250 -0.022 0.120 0.454 53 S N -0.401 115.282 115.700 -0.027 0.000 2.706 53 S HA 0.234 4.707 4.470 0.005 0.000 0.270 53 S C -0.416 174.168 174.600 -0.028 0.000 1.163 53 S CA -0.423 57.762 58.200 -0.025 0.000 1.042 53 S CB 1.435 64.597 63.200 -0.062 0.000 1.079 53 S HN -0.137 8.148 8.310 -0.041 0.000 0.474 54 K N 7.430 127.843 120.400 0.022 0.000 2.059 54 K HA -0.289 4.047 4.320 0.025 0.000 0.212 54 K C -0.715 175.928 176.600 0.073 0.000 1.050 54 K CA 3.059 59.377 56.287 0.051 0.000 0.927 54 K CB 0.551 33.106 32.500 0.091 0.000 0.714 54 K HN -0.126 8.148 8.250 0.040 0.000 0.447 55 F N -3.957 115.994 119.950 0.002 0.000 2.577 55 F HA 0.539 5.197 4.527 0.023 -0.117 0.318 55 F C -2.321 173.502 175.800 0.038 0.000 1.065 55 F CA -1.875 56.134 58.000 0.014 0.000 0.929 55 F CB 4.523 43.517 39.000 -0.010 0.000 1.237 55 F HN -0.002 8.360 8.300 0.126 0.013 0.468 56 V N 4.307 123.144 119.914 -1.796 0.000 2.624 56 V HA 0.287 4.184 4.120 -0.638 -0.159 0.294 56 V C -2.696 172.910 176.094 -0.814 0.000 1.077 56 V CA -0.678 61.063 62.300 -0.931 0.000 0.905 56 V CB 3.381 34.957 31.823 -0.411 0.000 1.025 56 V HN 0.971 7.981 8.190 -1.966 0.000 0.440 57 L N 8.595 129.665 121.223 -0.256 0.000 2.265 57 L HA 0.418 4.999 4.340 0.402 0.000 0.288 57 L C -2.332 174.733 176.870 0.326 0.000 1.058 57 L CA -1.192 53.849 54.840 0.335 0.000 0.809 57 L CB 1.120 43.549 42.059 0.617 0.000 1.179 57 L HN 0.791 8.858 8.230 -0.074 0.119 0.429 58 V N 6.810 126.977 119.914 0.422 0.000 2.815 58 V HA 0.420 4.874 4.120 0.312 -0.147 0.314 58 V C -1.214 175.017 176.094 0.227 0.000 1.064 58 V CA -2.092 60.460 62.300 0.420 0.000 0.952 58 V CB 3.108 35.408 31.823 0.794 0.000 1.020 58 V HN 0.964 9.438 8.190 0.475 0.000 0.439 59 K N 3.062 123.511 120.400 0.082 0.000 2.546 59 K HA 0.501 4.843 4.320 -0.168 -0.123 0.264 59 K C -2.071 174.401 176.600 -0.213 0.000 0.937 59 K CA -0.507 55.759 56.287 -0.035 0.000 0.833 59 K CB 4.039 36.643 32.500 0.173 0.000 1.378 59 K HN -0.180 8.083 8.250 0.022 0.000 0.432 60 F N 0.896 120.753 119.950 -0.154 0.000 2.626 60 F HA 0.606 5.349 4.527 0.018 -0.205 0.311 60 F C -2.299 173.555 175.800 0.090 0.000 1.088 60 F CA -1.047 56.941 58.000 -0.020 0.000 0.949 60 F CB 5.311 44.311 39.000 -0.001 0.000 1.322 60 F HN 0.750 9.066 8.300 0.027 0.000 0.461 61 D N -4.750 115.859 120.400 0.348 0.000 2.779 61 D HA 0.356 5.497 4.640 0.446 -0.233 0.331 61 D C -0.569 175.972 176.300 0.402 0.000 1.331 61 D CA -1.035 53.182 54.000 0.362 0.000 0.866 61 D CB 1.582 42.544 40.800 0.271 0.000 1.409 61 D HN -0.052 8.520 8.370 0.336 0.000 0.486 62 T N -2.159 112.538 114.554 0.238 0.000 2.616 62 T HA -0.167 4.197 4.350 0.023 0.000 0.327 62 T C 1.436 176.195 174.700 0.098 0.000 1.049 62 T CA 0.698 62.847 62.100 0.082 0.000 1.022 62 T CB 0.652 69.497 68.868 -0.039 0.000 1.009 62 T HN 0.009 8.365 8.240 0.194 0.000 0.535 63 Q N 1.410 121.224 119.800 0.023 0.000 2.167 63 Q HA -0.141 4.130 4.340 -0.115 0.000 0.202 63 Q C -0.075 175.661 176.000 -0.440 0.000 0.970 63 Q CA 3.345 59.054 55.803 -0.156 0.000 0.855 63 Q CB 0.668 29.327 28.738 -0.132 0.000 0.911 63 Q HN 0.695 8.974 8.270 0.016 0.000 0.438 64 Y N -2.424 117.908 120.300 0.054 0.000 2.749 64 Y HA 0.241 4.814 4.550 0.039 0.000 0.343 64 Y C -2.686 173.246 175.900 0.053 0.000 1.015 64 Y CA -2.522 55.602 58.100 0.041 0.000 1.270 64 Y CB -0.471 38.004 38.460 0.024 0.000 1.097 64 Y HN -0.626 7.732 8.280 0.157 0.016 0.571 65 P HA -0.161 4.408 4.420 0.247 0.000 0.262 65 P C -1.175 176.170 177.300 0.075 0.000 1.182 65 P CA -0.183 63.012 63.100 0.159 0.000 0.761 65 P CB 0.825 32.595 31.700 0.116 0.000 0.795 66 Y N 0.910 121.237 120.300 0.047 0.000 2.749 66 Y HA -0.288 4.280 4.550 0.030 0.000 0.321 66 Y C 0.215 176.128 175.900 0.022 0.000 1.195 66 Y CA 0.036 58.154 58.100 0.031 0.000 1.338 66 Y CB -0.362 38.111 38.460 0.022 0.000 1.017 66 Y HN 0.057 8.627 8.280 0.483 0.000 0.517 67 G N -1.245 107.108 108.800 -0.745 0.000 2.250 67 G HA2 -0.165 3.581 3.960 -0.357 0.000 0.196 67 G HA3 -0.165 3.372 3.960 -0.706 0.000 0.196 67 G C 0.394 174.884 174.900 -0.684 0.000 1.308 67 G CA -0.491 44.196 45.100 -0.689 0.000 1.207 67 G HN -0.397 7.356 8.290 -0.742 0.092 0.505 68 E N 3.150 123.057 120.200 -0.488 0.000 2.433 68 E HA -0.495 3.776 4.350 -0.133 0.000 0.209 68 E C 1.063 177.608 176.600 -0.093 0.000 1.065 68 E CA 1.931 58.208 56.400 -0.205 0.000 0.863 68 E CB -0.724 28.921 29.700 -0.092 0.000 0.772 68 E HN 0.557 8.652 8.360 -0.441 0.000 0.524 69 K N -4.201 116.142 120.400 -0.096 0.000 2.515 69 K HA -0.308 4.181 4.320 0.282 0.000 0.196 69 K C 0.950 177.654 176.600 0.174 0.000 1.038 69 K CA 1.576 57.977 56.287 0.189 0.000 0.967 69 K CB -0.824 31.844 32.500 0.281 0.000 0.780 69 K HN -0.256 7.614 8.250 -0.383 0.150 0.483 70 Q N -1.523 118.295 119.800 0.030 0.000 2.123 70 Q HA -0.144 4.200 4.340 0.006 0.000 0.193 70 Q C 1.052 177.079 176.000 0.045 0.000 0.981 70 Q CA 2.297 58.109 55.803 0.015 0.000 0.833 70 Q CB -0.111 28.610 28.738 -0.028 0.000 0.914 70 Q HN -0.587 7.590 8.270 -0.043 0.067 0.484 71 D N -0.843 119.565 120.400 0.014 0.000 2.095 71 D HA -0.282 4.367 4.640 0.015 0.000 0.192 71 D C 2.727 179.052 176.300 0.041 0.000 0.990 71 D CA 3.508 57.518 54.000 0.016 0.000 0.836 71 D CB -0.110 40.685 40.800 -0.009 0.000 0.979 71 D HN 0.107 8.466 8.370 -0.018 0.000 0.447 72 E N -0.801 119.416 120.200 0.030 0.000 2.274 72 E HA -0.214 4.151 4.350 0.023 0.000 0.194 72 E C 1.931 178.571 176.600 0.067 0.000 0.996 72 E CA 2.498 58.910 56.400 0.021 0.000 0.840 72 E CB 0.100 29.783 29.700 -0.028 0.000 0.772 72 E HN -0.515 7.851 8.360 0.011 0.000 0.491 73 F N -2.141 117.782 119.950 -0.045 0.000 2.615 73 F HA -0.103 4.397 4.527 -0.046 0.000 0.297 73 F C 1.184 176.966 175.800 -0.029 0.000 1.124 73 F CA -0.174 57.797 58.000 -0.049 0.000 1.451 73 F CB -0.484 38.468 39.000 -0.080 0.000 1.103 73 F HN -0.592 7.784 8.300 0.196 0.042 0.569 74 K N 0.801 121.312 120.400 0.185 0.000 1.985 74 K HA -0.264 4.096 4.320 0.067 0.000 0.210 74 K C 2.494 179.155 176.600 0.101 0.000 1.047 74 K CA 2.562 58.906 56.287 0.095 0.000 0.932 74 K CB -0.617 31.912 32.500 0.048 0.000 0.716 74 K HN -0.489 7.706 8.250 0.152 0.146 0.439 75 R N -1.376 119.176 120.500 0.087 0.000 2.133 75 R HA -0.316 4.400 4.340 0.060 -0.340 0.247 75 R C 2.777 179.133 176.300 0.093 0.000 1.151 75 R CA 3.158 59.302 56.100 0.073 0.000 0.971 75 R CB -0.381 29.951 30.300 0.053 0.000 0.866 75 R HN -0.665 7.652 8.270 0.077 0.000 0.447 76 L N -0.501 120.798 121.223 0.127 0.000 2.027 76 L HA -0.090 4.458 4.340 0.113 -0.140 0.206 76 L C 1.699 178.676 176.870 0.179 0.000 1.074 76 L CA 3.054 57.983 54.840 0.149 0.000 0.745 76 L CB 0.015 42.162 42.059 0.147 0.000 0.898 76 L HN -0.602 7.690 8.230 0.141 0.022 0.433 77 A N -2.023 120.917 122.820 0.199 0.000 2.014 77 A HA -0.194 4.218 4.320 0.154 0.000 0.218 77 A C 2.432 180.067 177.584 0.085 0.000 1.163 77 A CA 2.391 54.509 52.037 0.134 0.000 0.652 77 A CB -0.725 18.316 19.000 0.069 0.000 0.808 77 A HN -0.327 7.880 8.150 0.229 0.081 0.449 78 E N 0.124 120.370 120.200 0.077 0.000 2.031 78 E HA -0.423 3.952 4.350 0.042 0.000 0.193 78 E C 2.168 178.804 176.600 0.060 0.000 0.994 78 E CA 3.448 59.881 56.400 0.055 0.000 0.800 78 E CB -0.150 29.581 29.700 0.051 0.000 0.752 78 E HN 0.572 8.859 8.360 0.091 0.128 0.447 79 N N -1.081 117.664 118.700 0.075 0.000 2.166 79 N HA -0.252 4.525 4.740 0.062 0.000 0.186 79 N C 2.208 177.770 175.510 0.087 0.000 1.019 79 N CA 2.759 55.856 53.050 0.078 0.000 0.856 79 N CB 0.150 38.691 38.487 0.091 0.000 0.993 79 N HN -0.214 8.215 8.380 0.083 0.000 0.426 80 S N -0.395 115.367 115.700 0.102 0.000 2.603 80 S HA -0.137 4.405 4.470 0.120 0.000 0.229 80 S C 0.781 175.427 174.600 0.076 0.000 0.972 80 S CA 1.687 59.953 58.200 0.110 0.000 0.935 80 S CB -0.788 62.496 63.200 0.141 0.000 0.769 80 S HN -0.494 7.766 8.310 0.110 0.116 0.536 81 A N 3.260 126.115 122.820 0.057 0.000 2.076 81 A HA -0.200 4.138 4.320 0.031 0.000 0.220 81 A C 1.710 179.315 177.584 0.035 0.000 1.160 81 A CA 2.393 54.452 52.037 0.037 0.000 0.653 81 A CB -1.062 17.956 19.000 0.029 0.000 0.801 81 A HN -0.212 7.772 8.150 0.059 0.202 0.455 82 S N -0.499 115.227 115.700 0.043 0.000 2.419 82 S HA -0.199 4.289 4.470 0.030 0.000 0.233 82 S C 0.758 175.382 174.600 0.040 0.000 1.016 82 S CA 1.073 59.297 58.200 0.040 0.000 0.974 82 S CB 0.094 63.322 63.200 0.046 0.000 0.786 82 S HN -0.476 7.817 8.310 0.053 0.048 0.492 83 S N 0.165 115.894 115.700 0.048 0.000 3.268 83 S HA -0.311 4.421 4.470 0.056 -0.228 0.347 83 S C -0.284 174.337 174.600 0.035 0.000 0.925 83 S CA 1.521 59.746 58.200 0.042 0.000 1.286 83 S CB -0.478 62.737 63.200 0.024 0.000 0.890 83 S HN -0.215 7.960 8.310 0.056 0.168 0.495 84 D N 1.046 121.474 120.400 0.046 0.000 3.012 84 D HA -0.039 4.617 4.640 0.027 0.000 0.284 84 D C 0.814 177.139 176.300 0.041 0.000 1.259 84 D CA 1.451 55.474 54.000 0.037 0.000 1.036 84 D CB 1.015 41.838 40.800 0.037 0.000 1.167 84 D HN 0.141 8.548 8.370 0.062 0.000 0.429 85 D N -3.377 117.061 120.400 0.062 0.000 2.433 85 D HA 0.098 4.766 4.640 0.047 0.000 0.211 85 D C -1.664 174.706 176.300 0.117 0.000 1.114 85 D CA 0.536 54.579 54.000 0.071 0.000 0.837 85 D CB 0.514 41.357 40.800 0.072 0.000 0.984 85 D HN 0.142 8.554 8.370 0.071 0.000 0.505 86 L N -5.797 115.511 121.223 0.141 0.000 2.422 86 L HA 0.894 5.629 4.340 0.326 -0.199 0.264 86 L C -2.748 174.207 176.870 0.142 0.000 0.984 86 L CA -1.070 53.920 54.840 0.250 0.000 0.819 86 L CB 3.557 45.805 42.059 0.314 0.000 1.330 86 L HN -0.958 7.264 8.230 0.106 0.072 0.410 87 L N 0.343 121.622 121.223 0.094 0.000 2.371 87 L HA 0.385 4.763 4.340 0.062 0.000 0.262 87 L C -1.999 174.942 176.870 0.119 0.000 1.006 87 L CA -1.167 53.699 54.840 0.043 0.000 0.818 87 L CB 4.649 46.673 42.059 -0.059 0.000 1.354 87 L HN -0.197 8.089 8.230 0.093 0.000 0.415 88 V N 1.241 121.237 119.914 0.136 0.000 2.610 88 V HA 0.440 4.895 4.120 0.257 -0.180 0.298 88 V C -2.040 174.114 176.094 0.100 0.000 1.067 88 V CA -0.641 61.785 62.300 0.210 0.000 0.894 88 V CB 3.029 35.027 31.823 0.292 0.000 1.015 88 V HN 0.450 8.695 8.190 0.091 0.000 0.432 89 A N 6.120 128.975 122.820 0.058 0.000 2.564 89 A HA 0.458 4.649 4.320 -0.215 0.000 0.288 89 A C -2.912 174.460 177.584 -0.352 0.000 1.164 89 A CA -1.147 50.807 52.037 -0.139 0.000 0.712 89 A CB 3.312 22.270 19.000 -0.070 0.000 1.303 89 A HN 0.904 9.144 8.150 0.150 0.000 0.418 90 E N -2.864 116.988 120.200 -0.581 0.000 2.335 90 E HA 0.647 4.800 4.350 -0.612 -0.170 0.280 90 E C -1.914 174.320 176.600 -0.610 0.000 0.918 90 E CA -0.572 55.359 56.400 -0.782 0.000 0.765 90 E CB 2.647 31.397 29.700 -1.583 0.000 1.218 90 E HN 0.071 8.166 8.360 -0.442 0.000 0.425 91 V N 0.461 119.903 119.914 -0.787 0.000 3.076 91 V HA 0.362 4.238 4.120 -0.407 0.000 0.311 91 V C -0.914 174.828 176.094 -0.587 0.000 1.346 91 V CA -2.297 59.590 62.300 -0.688 0.000 1.056 91 V CB 3.781 35.154 31.823 -0.750 0.000 1.093 91 V HN 0.679 8.272 8.190 -0.995 0.000 0.468 92 G N -1.328 107.310 108.800 -0.270 0.000 2.630 92 G HA2 0.591 4.792 3.960 0.046 0.000 0.296 92 G HA3 0.591 4.565 3.960 0.022 0.000 0.296 92 G C -0.286 174.770 174.900 0.260 0.000 1.285 92 G CA -1.422 43.684 45.100 0.010 0.000 0.958 92 G HN -0.191 7.985 8.290 -0.189 0.000 0.479 93 I N 1.459 122.244 120.570 0.358 0.000 2.664 93 I HA 0.090 4.471 4.170 0.351 0.000 0.291 93 I C -0.837 175.414 176.117 0.222 0.000 1.120 93 I CA -2.319 59.190 61.300 0.349 0.000 1.503 93 I CB -2.894 35.341 38.000 0.392 0.000 1.506 93 I HN 0.236 8.644 8.210 0.330 0.000 0.621 94 S N 2.312 118.112 115.700 0.167 0.000 2.617 94 S HA -0.070 4.407 4.470 0.012 0.000 0.255 94 S C 0.220 174.904 174.600 0.140 0.000 1.318 94 S CA 0.594 58.850 58.200 0.093 0.000 0.978 94 S CB 0.905 64.154 63.200 0.082 0.000 0.961 94 S HN -0.538 7.780 8.310 0.195 0.110 0.582 95 D N 2.115 122.573 120.400 0.097 0.000 3.057 95 D HA -0.050 4.663 4.640 0.121 0.000 0.246 95 D C -0.996 175.376 176.300 0.120 0.000 1.238 95 D CA -1.100 52.961 54.000 0.102 0.000 0.949 95 D CB -1.346 39.490 40.800 0.061 0.000 1.086 95 D HN 0.267 8.668 8.370 0.053 0.000 0.487 96 Y N 1.209 121.524 120.300 0.025 0.000 2.546 96 Y HA -0.309 4.248 4.550 0.012 0.000 0.351 96 Y C 0.375 176.281 175.900 0.010 0.000 1.266 96 Y CA 0.983 59.095 58.100 0.021 0.000 1.487 96 Y CB 0.937 39.425 38.460 0.046 0.000 1.365 96 Y HN -0.301 7.991 8.280 0.282 0.158 0.642 97 G N 1.456 110.016 108.800 -0.401 0.000 2.639 97 G HA2 -0.258 3.608 3.960 -0.157 0.000 0.216 97 G HA3 -0.258 3.469 3.960 -0.388 0.000 0.216 97 G C -0.858 174.058 174.900 0.028 0.000 1.267 97 G CA 1.066 46.026 45.100 -0.233 0.000 0.801 97 G HN 0.276 7.750 8.290 -1.360 0.000 0.592 98 D N -2.393 118.115 120.400 0.181 0.000 3.201 98 D HA -0.019 4.727 4.640 0.176 0.000 0.134 98 D C -2.083 174.339 176.300 0.204 0.000 0.986 98 D CA 0.185 54.287 54.000 0.170 0.000 1.816 98 D CB 0.285 41.124 40.800 0.065 0.000 0.984 98 D HN -0.335 8.212 8.370 0.294 0.000 0.841 99 K N -0.218 120.337 120.400 0.258 0.000 2.597 99 K HA 0.187 4.697 4.320 0.065 -0.151 0.278 99 K C 0.183 176.718 176.600 -0.108 0.000 0.984 99 K CA -1.500 54.863 56.287 0.126 0.000 0.775 99 K CB 1.182 33.801 32.500 0.198 0.000 1.465 99 K HN -0.623 7.798 8.250 0.285 0.000 0.351 100 L N 1.578 122.669 121.223 -0.220 0.000 2.040 100 L HA -0.479 3.632 4.340 -0.381 0.000 0.228 100 L C 1.115 177.674 176.870 -0.519 0.000 1.092 100 L CA 4.283 58.864 54.840 -0.432 0.000 0.805 100 L CB 0.042 41.685 42.059 -0.693 0.000 0.905 100 L HN 0.793 8.947 8.230 -0.126 0.000 0.443 101 N N -2.872 115.441 118.700 -0.644 0.000 2.037 101 N HA -0.413 4.051 4.740 -0.460 0.000 0.196 101 N C 2.124 177.382 175.510 -0.420 0.000 1.034 101 N CA 3.495 56.198 53.050 -0.579 0.000 0.861 101 N CB -0.465 37.427 38.487 -0.992 0.000 1.039 101 N HN 0.021 7.958 8.380 -0.738 0.000 0.427 102 M N -2.524 116.899 119.600 -0.294 0.000 2.516 102 M HA 0.063 4.487 4.480 -0.093 0.000 0.259 102 M C 1.163 177.381 176.300 -0.137 0.000 1.146 102 M CA 1.028 56.268 55.300 -0.099 0.000 1.122 102 M CB 0.264 32.908 32.600 0.074 0.000 1.341 102 M HN -0.461 7.610 8.290 -0.366 0.000 0.478 103 E N 3.209 123.302 120.200 -0.178 0.000 2.118 103 E HA -0.371 3.903 4.350 -0.126 0.000 0.195 103 E C 2.396 178.834 176.600 -0.270 0.000 0.992 103 E CA 3.549 59.839 56.400 -0.183 0.000 0.804 103 E CB -0.101 29.500 29.700 -0.165 0.000 0.741 103 E HN 0.361 8.422 8.360 -0.204 0.176 0.458 104 L N -2.852 118.151 121.223 -0.365 0.000 2.129 104 L HA -0.340 3.640 4.340 -0.600 0.000 0.212 104 L C 1.767 178.464 176.870 -0.287 0.000 1.087 104 L CA 2.721 57.303 54.840 -0.430 0.000 0.757 104 L CB -1.051 40.719 42.059 -0.482 0.000 0.896 104 L HN 0.517 8.398 8.230 -0.397 0.110 0.434 105 S N -0.468 115.103 115.700 -0.216 0.000 2.349 105 S HA -0.367 4.058 4.470 -0.197 -0.073 0.216 105 S C 2.296 176.823 174.600 -0.122 0.000 1.033 105 S CA 3.755 61.861 58.200 -0.158 0.000 1.021 105 S CB -0.711 62.433 63.200 -0.095 0.000 0.968 105 S HN -0.331 7.679 8.310 -0.213 0.172 0.426 106 E N 1.729 121.859 120.200 -0.115 0.000 2.268 106 E HA -0.186 4.130 4.350 -0.056 0.000 0.195 106 E C 1.644 178.156 176.600 -0.147 0.000 0.995 106 E CA 1.785 58.129 56.400 -0.094 0.000 0.836 106 E CB -0.442 29.213 29.700 -0.074 0.000 0.763 106 E HN -0.050 8.244 8.360 -0.110 0.000 0.491 107 K N -1.662 118.574 120.400 -0.273 0.000 2.032 107 K HA -0.239 3.905 4.320 -0.294 0.000 0.209 107 K C 1.776 178.121 176.600 -0.425 0.000 1.048 107 K CA 2.739 58.765 56.287 -0.435 0.000 0.927 107 K CB 0.253 32.335 32.500 -0.697 0.000 0.712 107 K HN -0.578 7.387 8.250 -0.283 0.115 0.441 108 Y N -4.802 115.420 120.300 -0.129 0.000 2.259 108 Y HA 0.019 4.522 4.550 -0.078 0.000 0.285 108 Y C 0.526 176.386 175.900 -0.067 0.000 1.130 108 Y CA 0.937 58.979 58.100 -0.098 0.000 1.144 108 Y CB 1.452 39.843 38.460 -0.116 0.000 1.093 108 Y HN -0.714 7.404 8.280 -0.270 0.000 0.507 109 K N -3.013 117.449 120.400 0.103 0.000 3.409 109 K HA 0.027 4.385 4.320 0.022 -0.025 0.132 109 K C -1.419 175.185 176.600 0.007 0.000 1.237 109 K CA 0.641 56.956 56.287 0.046 0.000 0.781 109 K CB -0.239 32.298 32.500 0.061 0.000 0.918 109 K HN -0.113 8.192 8.250 0.092 0.000 0.375 110 L N 1.956 123.104 121.223 -0.126 0.000 3.029 110 L HA 0.324 4.335 4.340 -0.548 0.000 0.231 110 L C -0.490 176.182 176.870 -0.331 0.000 1.327 110 L CA -1.079 53.415 54.840 -0.577 0.000 1.166 110 L CB -1.398 40.135 42.059 -0.877 0.000 1.532 110 L HN 0.661 8.703 8.230 -0.088 0.135 0.473 111 D N 2.263 122.720 120.400 0.095 0.000 2.119 111 D HA -0.233 4.454 4.640 0.080 0.000 0.199 111 D C 1.123 177.621 176.300 0.330 0.000 0.987 111 D CA 4.138 58.240 54.000 0.170 0.000 0.858 111 D CB 0.332 41.213 40.800 0.134 0.000 1.008 111 D HN -0.488 7.887 8.370 0.115 0.065 0.450 112 K N -4.128 116.522 120.400 0.416 0.000 2.652 112 K HA 0.221 4.786 4.320 0.408 0.000 0.169 112 K C -0.501 176.122 176.600 0.038 0.000 1.238 112 K CA 0.094 56.550 56.287 0.281 0.000 1.147 112 K CB -0.076 32.522 32.500 0.164 0.000 0.985 112 K HN 0.020 8.504 8.250 0.390 0.000 0.508 113 E N -0.415 119.747 120.200 -0.062 0.000 2.022 113 E HA -0.038 4.271 4.350 -0.067 0.000 0.190 113 E C -0.772 175.608 176.600 -0.366 0.000 0.973 113 E CA 1.789 58.091 56.400 -0.163 0.000 0.816 113 E CB 0.721 30.398 29.700 -0.038 0.000 0.781 113 E HN 0.201 8.689 8.360 0.213 0.000 0.456 114 S N -4.213 111.071 115.700 -0.694 0.000 2.198 114 S HA 0.034 4.089 4.470 -0.691 0.000 0.274 114 S C -1.855 172.485 174.600 -0.434 0.000 0.714 114 S CA 0.571 58.434 58.200 -0.561 0.000 0.863 114 S CB 0.426 63.499 63.200 -0.211 0.000 1.258 114 S HN -0.487 7.292 8.310 -0.885 0.000 0.412 115 Y N 0.496 120.818 120.300 0.037 0.000 2.628 115 Y HA 0.344 4.884 4.550 -0.017 0.000 0.354 115 Y C -2.360 173.542 175.900 0.003 0.000 1.061 115 Y CA -4.422 53.687 58.100 0.016 0.000 1.251 115 Y CB -0.905 37.584 38.460 0.049 0.000 1.098 115 Y HN -0.063 7.524 8.280 -1.155 0.000 0.626 116 P HA 0.027 4.615 4.420 0.089 -0.116 0.268 116 P C -1.306 176.022 177.300 0.048 0.000 1.282 116 P CA -0.200 62.890 63.100 -0.016 0.000 0.880 116 P CB -1.153 30.305 31.700 -0.402 0.000 0.971 117 V N -0.716 119.280 119.914 0.137 0.000 2.769 117 V HA 0.354 4.465 4.120 -0.014 0.000 0.312 117 V C -2.075 174.111 176.094 0.154 0.000 1.061 117 V CA -1.750 60.599 62.300 0.082 0.000 0.931 117 V CB 3.234 35.093 31.823 0.059 0.000 1.010 117 V HN 0.516 8.815 8.190 0.181 0.000 0.433 118 F N 0.853 120.672 119.950 -0.218 0.000 2.538 118 F HA 0.677 5.180 4.527 -0.228 -0.113 0.325 118 F C -0.338 175.406 175.800 -0.093 0.000 1.066 118 F CA -4.117 53.776 58.000 -0.178 0.000 0.946 118 F CB 3.550 42.506 39.000 -0.073 0.000 1.199 118 F HN -0.007 8.296 8.300 0.004 0.000 0.473 119 Y N -1.899 118.602 120.300 0.336 0.000 2.402 119 Y HA 0.143 4.648 4.550 -0.076 0.000 0.325 119 Y C -1.648 174.357 175.900 0.174 0.000 1.009 119 Y CA -2.396 55.727 58.100 0.039 0.000 1.278 119 Y CB 0.378 38.718 38.460 -0.200 0.000 1.105 119 Y HN 1.008 9.314 8.280 0.221 0.107 0.476 120 L N 4.188 125.647 121.223 0.395 0.000 2.313 120 L HA 0.365 4.967 4.340 0.436 0.000 0.282 120 L C -2.013 174.951 176.870 0.156 0.000 1.092 120 L CA -1.071 53.983 54.840 0.357 0.000 0.831 120 L CB 0.131 42.326 42.059 0.226 0.000 1.159 120 L HN 0.526 8.876 8.230 0.379 0.107 0.442 121 F N 8.276 128.270 119.950 0.073 0.000 2.449 121 F HA 0.330 4.901 4.527 0.074 0.000 0.342 121 F C -1.737 173.972 175.800 -0.152 0.000 1.127 121 F CA -0.750 57.251 58.000 0.002 0.000 0.975 121 F CB 3.081 42.077 39.000 -0.007 0.000 1.146 121 F HN 0.963 9.373 8.300 0.184 0.000 0.444 122 R N 5.547 126.137 120.500 0.150 0.000 2.510 122 R HA 0.225 4.627 4.340 -0.032 -0.081 0.287 122 R C -2.127 174.210 176.300 0.062 0.000 1.084 122 R CA -0.299 55.843 56.100 0.069 0.000 0.934 122 R CB 1.534 31.954 30.300 0.200 0.000 1.201 122 R HN 0.184 8.576 8.270 0.204 0.000 0.431 123 D N 5.166 125.572 120.400 0.010 0.000 1.628 123 D HA -0.103 4.537 4.640 -0.001 0.000 0.319 123 D C -0.851 175.415 176.300 -0.058 0.000 1.377 123 D CA 1.256 55.248 54.000 -0.013 0.000 0.526 123 D CB 0.792 41.587 40.800 -0.008 0.000 3.271 123 D HN 0.489 8.852 8.370 -0.011 0.000 0.193 124 G N -1.886 106.848 108.800 -0.110 0.000 4.142 124 G HA2 -0.086 3.775 3.960 -0.164 0.000 0.200 124 G HA3 -0.086 3.763 3.960 -0.184 0.000 0.200 124 G C -1.921 172.745 174.900 -0.391 0.000 0.811 124 G CA 0.031 45.013 45.100 -0.196 0.000 0.855 124 G HN -0.291 7.945 8.290 -0.090 0.000 0.455 125 D N -1.127 119.093 120.400 -0.299 0.000 2.429 125 D HA -0.139 4.222 4.640 -0.466 0.000 0.233 125 D C -0.256 175.837 176.300 -0.345 0.000 1.202 125 D CA 0.704 54.517 54.000 -0.311 0.000 0.879 125 D CB 0.353 41.158 40.800 0.008 0.000 1.212 125 D HN -0.486 7.782 8.370 -0.170 0.000 0.465 126 F N -2.186 117.760 119.950 -0.006 0.000 2.834 126 F HA 0.107 4.297 4.527 -0.562 0.000 0.332 126 F C -1.221 174.808 175.800 0.382 0.000 1.056 126 F CA -0.288 57.720 58.000 0.014 0.000 1.178 126 F CB 1.825 40.992 39.000 0.280 0.000 1.037 126 F HN -0.181 8.065 8.300 -0.091 0.000 0.580 127 E N -1.079 119.413 120.200 0.487 0.000 3.935 127 E HA 0.183 4.833 4.350 0.500 0.000 0.226 127 E C -1.670 175.103 176.600 0.289 0.000 1.220 127 E CA -0.251 56.382 56.400 0.388 0.000 1.226 127 E CB -0.069 29.742 29.700 0.185 0.000 1.237 127 E HN -0.112 8.913 8.360 0.333 -0.465 0.417 128 N N 0.655 119.577 118.700 0.369 0.000 2.725 128 N HA 0.213 5.050 4.740 0.162 0.000 0.225 128 N C -2.967 172.631 175.510 0.147 0.000 1.465 128 N CA -0.842 52.333 53.050 0.209 0.000 0.830 128 N CB 1.538 40.116 38.487 0.151 0.000 1.460 128 N HN 0.117 9.180 8.380 0.625 -0.308 0.538 129 P HA 0.184 4.563 4.420 -0.225 -0.094 0.283 129 P C -1.518 175.740 177.300 -0.071 0.000 1.271 129 P CA -1.292 61.630 63.100 -0.296 0.000 0.841 129 P CB 1.648 32.826 31.700 -0.870 0.000 1.122 130 V N 1.864 121.788 119.914 0.016 0.000 2.353 130 V HA 0.332 4.508 4.120 0.094 0.000 0.264 130 V C -1.347 174.887 176.094 0.234 0.000 1.049 130 V CA -2.877 59.501 62.300 0.129 0.000 0.896 130 V CB -0.070 31.839 31.823 0.143 0.000 1.025 130 V HN 0.622 8.710 8.190 0.003 0.104 0.475 131 P HA 0.311 5.004 4.420 0.131 -0.194 0.285 131 P C -1.700 175.643 177.300 0.071 0.000 1.259 131 P CA -1.573 61.581 63.100 0.089 0.000 0.794 131 P CB 0.605 32.288 31.700 -0.029 0.000 0.940 132 Y N 5.181 125.255 120.300 -0.377 0.000 2.326 132 Y HA 0.190 4.389 4.550 -0.585 0.000 0.329 132 Y C -2.035 173.093 175.900 -1.287 0.000 0.973 132 Y CA -2.239 55.331 58.100 -0.883 0.000 1.162 132 Y CB 2.346 39.877 38.460 -1.548 0.000 1.147 132 Y HN -0.367 7.777 8.280 -0.226 0.000 0.456 133 S N 6.644 121.908 115.700 -0.727 0.000 2.404 133 S HA 0.151 4.103 4.470 -0.863 0.000 0.309 133 S C -0.580 173.547 174.600 -0.789 0.000 1.076 133 S CA -0.866 56.896 58.200 -0.731 0.000 1.095 133 S CB 0.649 63.654 63.200 -0.324 0.000 0.972 133 S HN 0.093 8.235 8.310 -0.280 0.000 0.484 134 G N 2.452 110.643 108.800 -1.015 0.000 2.548 134 G HA2 0.001 3.774 3.960 -0.311 0.000 0.301 134 G HA3 0.001 3.483 3.960 -0.796 0.000 0.301 134 G C -2.408 172.366 174.900 -0.211 0.000 1.349 134 G CA 0.200 44.948 45.100 -0.587 0.000 0.792 134 G HN -0.266 7.376 8.290 -1.080 0.000 0.481 135 A N -0.912 121.856 122.820 -0.086 0.000 2.466 135 A HA -0.052 4.373 4.320 0.039 -0.081 0.238 135 A C 0.018 177.586 177.584 -0.026 0.000 1.074 135 A CA 0.299 52.337 52.037 0.003 0.000 0.774 135 A CB 0.661 19.674 19.000 0.022 0.000 1.015 135 A HN 0.186 8.290 8.150 -0.077 0.000 0.498 136 V N 3.613 123.484 119.914 -0.071 0.000 2.218 136 V HA 0.005 3.801 4.120 -0.539 0.000 0.261 136 V C -1.711 174.235 176.094 -0.247 0.000 1.142 136 V CA -0.458 61.639 62.300 -0.339 0.000 0.965 136 V CB -0.699 30.883 31.823 -0.402 0.000 1.190 136 V HN 0.138 8.731 8.190 0.058 -0.369 0.478 137 K N 2.506 122.796 120.400 -0.183 0.000 2.340 137 K HA 0.289 4.697 4.320 -0.083 -0.138 0.244 137 K C -0.197 176.355 176.600 -0.080 0.000 0.973 137 K CA -3.023 53.210 56.287 -0.090 0.000 0.828 137 K CB 2.618 35.106 32.500 -0.019 0.000 1.226 137 K HN -0.657 7.488 8.250 -0.175 0.000 0.437 138 V N 1.550 121.444 119.914 -0.032 0.000 2.231 138 V HA -0.331 3.778 4.120 -0.019 0.000 0.240 138 V C 1.650 177.765 176.094 0.035 0.000 1.039 138 V CA 4.428 66.728 62.300 0.000 0.000 0.998 138 V CB 0.050 31.888 31.823 0.025 0.000 0.639 138 V HN 0.662 9.222 8.190 -0.022 -0.383 0.451 139 G N -1.154 107.673 108.800 0.045 0.000 2.459 139 G HA2 -0.440 3.564 3.960 0.074 0.000 0.217 139 G HA3 -0.440 3.555 3.960 0.059 0.000 0.217 139 G C 0.456 175.400 174.900 0.073 0.000 1.183 139 G CA 2.596 47.733 45.100 0.062 0.000 0.776 139 G HN 0.484 8.795 8.290 0.036 0.000 0.552 140 A N 0.999 123.864 122.820 0.075 0.000 1.948 140 A HA -0.274 4.104 4.320 0.097 0.000 0.220 140 A C 2.170 179.871 177.584 0.194 0.000 1.177 140 A CA 2.635 54.739 52.037 0.112 0.000 0.636 140 A CB -0.590 18.475 19.000 0.109 0.000 0.815 140 A HN -0.098 8.086 8.150 0.057 0.000 0.449 141 I N -1.107 119.575 120.570 0.188 0.000 2.142 141 I HA -0.606 3.890 4.170 0.544 0.000 0.240 141 I C 1.656 177.939 176.117 0.277 0.000 1.078 141 I CA 4.070 65.562 61.300 0.320 0.000 1.343 141 I CB -0.160 37.931 38.000 0.152 0.000 1.046 141 I HN -0.674 7.586 8.210 0.099 0.009 0.405 142 Q N 0.423 120.289 119.800 0.110 0.000 2.096 142 Q HA -0.503 3.788 4.340 -0.082 0.000 0.208 142 Q C 2.364 178.320 176.000 -0.075 0.000 0.993 142 Q CA 3.864 59.657 55.803 -0.015 0.000 0.862 142 Q CB -0.299 28.449 28.738 0.016 0.000 0.915 142 Q HN 0.250 8.575 8.270 0.092 0.000 0.416 143 R N -1.863 118.645 120.500 0.013 0.000 2.096 143 R HA -0.334 3.966 4.340 -0.067 0.000 0.240 143 R C 2.271 178.580 176.300 0.015 0.000 1.139 143 R CA 3.108 59.207 56.100 -0.002 0.000 0.952 143 R CB -0.795 29.531 30.300 0.044 0.000 0.854 143 R HN 0.515 8.709 8.270 0.058 0.110 0.436 144 W N -1.400 119.820 121.300 -0.133 0.000 2.378 144 W HA -0.237 4.313 4.660 -0.183 0.000 0.313 144 W C 2.123 178.536 176.519 -0.177 0.000 1.197 144 W CA 2.819 60.067 57.345 -0.163 0.000 1.304 144 W CB -0.105 29.246 29.460 -0.182 0.000 1.148 144 W HN -0.788 7.571 8.180 0.299 0.000 0.494 145 L N -0.221 120.847 121.223 -0.258 0.000 2.083 145 L HA -0.482 3.416 4.340 -0.935 -0.118 0.209 145 L C 2.558 179.064 176.870 -0.607 0.000 1.083 145 L CA 2.760 57.207 54.840 -0.654 0.000 0.752 145 L CB -0.534 41.141 42.059 -0.641 0.000 0.899 145 L HN 0.369 8.656 8.230 0.095 0.000 0.433 146 K N 0.069 120.162 120.400 -0.511 0.000 2.281 146 K HA -0.189 3.944 4.320 -0.575 -0.159 0.203 146 K C 2.718 179.110 176.600 -0.346 0.000 1.046 146 K CA 2.567 58.528 56.287 -0.544 0.000 0.938 146 K CB -0.794 31.208 32.500 -0.831 0.000 0.737 146 K HN 0.646 8.536 8.250 -0.421 0.107 0.458 147 G N -0.995 107.628 108.800 -0.294 0.000 2.516 147 G HA2 -0.243 3.624 3.960 -0.156 0.000 0.221 147 G HA3 -0.243 3.591 3.960 -0.210 0.000 0.221 147 G C 0.880 175.664 174.900 -0.194 0.000 1.107 147 G CA 1.759 46.732 45.100 -0.212 0.000 0.747 147 G HN -0.070 7.872 8.290 -0.320 0.156 0.567 148 Q N -1.111 118.547 119.800 -0.236 0.000 2.247 148 Q HA 0.121 4.394 4.340 -0.111 0.000 0.211 148 Q C -0.039 175.891 176.000 -0.117 0.000 0.861 148 Q CA -0.907 54.803 55.803 -0.155 0.000 0.949 148 Q CB 0.438 29.096 28.738 -0.133 0.000 1.115 148 Q HN -0.362 7.661 8.270 -0.328 0.051 0.507 149 G N 0.255 108.964 108.800 -0.151 0.000 2.356 149 G HA2 -0.361 3.556 3.960 -0.071 0.000 0.233 149 G HA3 -0.361 3.578 3.960 -0.035 0.000 0.233 149 G C -2.107 172.755 174.900 -0.063 0.000 1.105 149 G CA 0.156 45.208 45.100 -0.080 0.000 0.861 149 G HN 0.203 8.169 8.290 -0.207 0.200 0.493 150 V N -1.663 118.145 119.914 -0.176 0.000 2.932 150 V HA 0.382 4.524 4.120 0.036 0.000 0.307 150 V C -2.703 173.254 176.094 -0.229 0.000 1.147 150 V CA -2.014 60.216 62.300 -0.116 0.000 0.951 150 V CB 3.424 35.176 31.823 -0.119 0.000 1.031 150 V HN -0.775 7.219 8.190 -0.326 0.000 0.426 151 Y N 5.760 126.009 120.300 -0.085 0.000 2.352 151 Y HA 0.061 4.559 4.550 -0.086 0.000 0.339 151 Y C -1.024 174.861 175.900 -0.024 0.000 0.992 151 Y CA -0.269 57.796 58.100 -0.060 0.000 1.100 151 Y CB 1.577 40.020 38.460 -0.028 0.000 1.192 151 Y HN 0.404 8.802 8.280 0.198 0.000 0.458 152 L N 1.413 122.699 121.223 0.105 0.000 3.267 152 L HA 0.308 4.729 4.340 0.135 0.000 0.289 152 L C -0.832 176.112 176.870 0.124 0.000 1.260 152 L CA -0.675 54.231 54.840 0.110 0.000 1.034 152 L CB 0.448 42.557 42.059 0.082 0.000 1.413 152 L HN 0.413 8.657 8.230 0.023 0.000 0.594 153 G N -3.463 105.439 108.800 0.170 0.000 4.180 153 G HA2 -0.046 4.051 3.960 0.112 0.000 0.234 153 G HA3 -0.046 3.989 3.960 0.124 0.000 0.234 153 G C -0.785 174.243 174.900 0.213 0.000 3.778 153 G CA 0.235 45.424 45.100 0.149 0.000 0.598 153 G HN -0.448 7.902 8.290 0.243 0.085 0.220 154 M N 0.000 119.705 119.600 0.175 0.000 2.572 154 M HA 0.000 4.484 4.480 0.007 0.000 0.227 154 M CA 0.000 55.318 55.300 0.029 0.000 0.988 154 M CB 0.000 32.561 32.600 -0.065 0.000 1.302 154 M HN 0.000 8.744 8.290 0.130 -0.377 0.411