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 1fnx_21_H DATA FIRST_RESID 35 DATA SEQUENCE MDSKTNLIVN YLPQNMTQDE FKSLFGSIGD IESCKLVRDK ITGQSLGYGF DATA SEQUENCE VNYSDPNDAD KAINTLNGLK LQTKTIKVSY ARPSSASIRD ANLYVSGLPK DATA SEQUENCE TMSQKEMEQL FSQYGRIITS RILLDQATGV SRGVGFIRFD KRIEAEEAIK DATA SEQUENCE GLNGQKPLGA AEPITVKFAN NPSQ 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 35 M HA 0.000 4.479 4.480 -0.001 0.000 0.227 35 M C 0.000 176.299 176.300 -0.002 0.000 1.140 35 M CA 0.000 55.298 55.300 -0.003 0.000 0.988 35 M CB 0.000 32.601 32.600 0.001 0.000 1.302 36 D N 4.716 125.117 120.400 0.002 0.000 2.885 36 D HA 0.061 4.701 4.640 0.000 0.000 0.234 36 D C -0.658 175.651 176.300 0.016 0.000 1.129 36 D CA -0.034 53.969 54.000 0.005 0.000 0.991 36 D CB -1.350 39.453 40.800 0.005 0.000 1.137 36 D HN 0.342 8.713 8.370 0.002 0.000 0.459 37 S N 0.607 116.319 115.700 0.020 0.000 2.661 37 S HA 0.054 4.545 4.470 0.035 0.000 0.265 37 S C 0.154 174.786 174.600 0.055 0.000 1.225 37 S CA -0.294 57.928 58.200 0.036 0.000 0.986 37 S CB 0.749 63.971 63.200 0.038 0.000 1.008 37 S HN -0.119 8.115 8.310 0.013 0.084 0.565 38 K N 1.321 121.769 120.400 0.080 0.000 2.832 38 K HA 0.255 4.646 4.320 0.119 0.000 0.211 38 K C 0.319 177.021 176.600 0.171 0.000 1.112 38 K CA -0.181 56.181 56.287 0.125 0.000 1.108 38 K CB -0.072 32.500 32.500 0.121 0.000 0.899 38 K HN 0.279 8.574 8.250 0.076 0.000 0.464 39 T N -5.123 109.507 114.554 0.125 0.000 3.069 39 T HA 0.037 4.493 4.350 0.176 0.000 0.252 39 T C 0.452 175.214 174.700 0.103 0.000 1.053 39 T CA -0.627 61.552 62.100 0.132 0.000 0.964 39 T CB 0.131 69.061 68.868 0.102 0.000 1.005 39 T HN -0.129 8.090 8.240 0.091 0.075 0.532 40 N N 3.970 122.727 118.700 0.094 0.000 3.127 40 N HA -0.071 4.697 4.740 0.046 0.000 0.317 40 N C -1.402 174.199 175.510 0.152 0.000 1.242 40 N CA -0.327 52.772 53.050 0.081 0.000 1.203 40 N CB -1.203 37.302 38.487 0.031 0.000 1.462 40 N HN 0.092 8.471 8.380 0.101 0.062 0.546 41 L N 0.606 121.900 121.223 0.119 0.000 2.477 41 L HA -0.052 4.374 4.340 -0.022 -0.099 0.272 41 L C -0.693 176.252 176.870 0.126 0.000 1.157 41 L CA 0.030 54.905 54.840 0.058 0.000 0.889 41 L CB -1.237 40.853 42.059 0.052 0.000 1.158 41 L HN 0.331 8.547 8.230 0.101 0.075 0.473 42 I N 6.109 126.720 120.570 0.068 0.000 2.378 42 I HA 0.609 4.773 4.170 -0.284 -0.165 0.291 42 I C -1.890 174.142 176.117 -0.142 0.000 0.992 42 I CA -2.465 58.757 61.300 -0.130 0.000 1.154 42 I CB 3.204 41.123 38.000 -0.134 0.000 1.315 42 I HN 1.249 9.381 8.210 0.037 0.101 0.448 43 V N 9.847 129.641 119.914 -0.200 0.000 2.383 43 V HA 0.271 4.585 4.120 0.096 -0.137 0.275 43 V C -1.025 175.038 176.094 -0.052 0.000 1.036 43 V CA -1.519 60.784 62.300 0.005 0.000 0.889 43 V CB 0.138 32.093 31.823 0.218 0.000 0.985 43 V HN 1.061 8.870 8.190 -0.388 0.148 0.459 44 N N 5.520 124.262 118.700 0.069 0.000 2.443 44 N HA 0.444 5.168 4.740 -0.026 0.000 0.293 44 N C -0.626 174.980 175.510 0.159 0.000 1.159 44 N CA -1.409 51.655 53.050 0.023 0.000 0.904 44 N CB 2.426 40.889 38.487 -0.040 0.000 1.214 44 N HN 1.108 9.459 8.380 0.144 0.115 0.513 45 Y N -7.107 113.178 120.300 -0.025 0.000 3.233 45 Y HA -0.419 4.078 4.550 -0.090 0.000 0.201 45 Y C -1.534 174.347 175.900 -0.032 0.000 1.486 45 Y CA 1.232 59.305 58.100 -0.046 0.000 1.326 45 Y CB -2.687 35.763 38.460 -0.016 0.000 1.460 45 Y HN 0.088 8.094 8.280 -0.457 0.000 0.512 46 L N 0.559 121.780 121.223 -0.003 0.000 2.326 46 L HA 0.212 4.602 4.340 0.083 0.000 0.278 46 L C -1.482 175.377 176.870 -0.019 0.000 1.092 46 L CA -2.522 52.317 54.840 -0.001 0.000 0.810 46 L CB 0.765 42.754 42.059 -0.116 0.000 1.153 46 L HN 0.070 8.094 8.230 -0.116 0.137 0.439 47 P HA 0.037 4.460 4.420 0.004 0.000 0.263 47 P C 0.451 177.740 177.300 -0.018 0.000 1.247 47 P CA -0.235 62.871 63.100 0.010 0.000 0.876 47 P CB 0.012 31.734 31.700 0.037 0.000 0.928 48 Q N 5.349 125.122 119.800 -0.045 0.000 2.224 48 Q HA -0.579 3.713 4.340 -0.080 0.000 0.213 48 Q C 0.694 176.674 176.000 -0.034 0.000 0.998 48 Q CA 3.897 59.665 55.803 -0.058 0.000 0.895 48 Q CB -0.370 28.329 28.738 -0.065 0.000 0.926 48 Q HN 0.066 8.307 8.270 -0.049 0.000 0.417 49 N N -4.274 114.416 118.700 -0.016 0.000 2.244 49 N HA -0.252 4.482 4.740 -0.009 0.000 0.183 49 N C 0.435 175.950 175.510 0.007 0.000 1.016 49 N CA 0.661 53.708 53.050 -0.005 0.000 0.866 49 N CB -0.573 37.914 38.487 0.000 0.000 0.980 49 N HN -0.248 8.094 8.380 -0.014 0.029 0.430 50 M N 2.554 122.165 119.600 0.018 0.000 2.238 50 M HA -0.219 4.468 4.480 0.047 -0.179 0.350 50 M C -0.501 175.821 176.300 0.038 0.000 1.321 50 M CA 1.276 56.602 55.300 0.044 0.000 1.097 50 M CB 0.734 33.382 32.600 0.078 0.000 1.713 50 M HN -0.117 8.040 8.290 0.014 0.141 0.455 51 T N 4.709 119.295 114.554 0.054 0.000 2.881 51 T HA 0.275 4.638 4.350 0.022 0.000 0.278 51 T C 1.239 175.994 174.700 0.091 0.000 0.982 51 T CA -1.573 60.556 62.100 0.048 0.000 0.989 51 T CB 2.642 71.535 68.868 0.041 0.000 1.058 51 T HN 0.667 9.396 8.240 0.060 -0.453 0.529 52 Q N 4.504 124.349 119.800 0.075 0.000 2.061 52 Q HA -0.387 4.048 4.340 0.159 0.000 0.204 52 Q C 1.357 177.460 176.000 0.172 0.000 0.984 52 Q CA 3.890 59.769 55.803 0.127 0.000 0.846 52 Q CB -0.330 28.454 28.738 0.077 0.000 0.902 52 Q HN 0.562 8.858 8.270 0.044 0.000 0.421 53 D N -0.288 120.175 120.400 0.107 0.000 2.116 53 D HA -0.329 4.358 4.640 0.080 0.000 0.193 53 D C 2.011 178.372 176.300 0.101 0.000 0.998 53 D CA 3.241 57.293 54.000 0.087 0.000 0.836 53 D CB -1.117 39.717 40.800 0.057 0.000 0.951 53 D HN -0.229 8.189 8.370 0.081 0.000 0.449 54 E N 0.030 120.298 120.200 0.113 0.000 2.038 54 E HA -0.300 4.100 4.350 0.084 0.000 0.195 54 E C 2.215 178.917 176.600 0.171 0.000 1.000 54 E CA 2.706 59.176 56.400 0.118 0.000 0.803 54 E CB -0.347 29.420 29.700 0.111 0.000 0.750 54 E HN -0.111 8.312 8.360 0.105 0.000 0.448 55 F N 1.568 121.561 119.950 0.073 0.000 2.065 55 F HA -0.391 4.241 4.527 0.175 0.000 0.298 55 F C 1.343 177.232 175.800 0.147 0.000 1.112 55 F CA 3.311 61.379 58.000 0.112 0.000 1.212 55 F CB 0.170 39.191 39.000 0.035 0.000 0.975 55 F HN 0.187 8.679 8.300 0.319 0.000 0.476 56 K N -0.088 120.347 120.400 0.058 0.000 2.009 56 K HA -0.492 3.706 4.320 -0.204 0.000 0.210 56 K C 2.476 179.071 176.600 -0.010 0.000 1.049 56 K CA 3.373 59.632 56.287 -0.047 0.000 0.929 56 K CB -0.090 32.433 32.500 0.039 0.000 0.714 56 K HN 0.574 8.845 8.250 0.232 0.118 0.440 57 S N 0.336 116.055 115.700 0.032 0.000 2.365 57 S HA -0.309 4.175 4.470 0.022 0.000 0.225 57 S C 2.237 176.849 174.600 0.021 0.000 1.039 57 S CA 3.513 61.730 58.200 0.028 0.000 1.033 57 S CB -0.136 63.086 63.200 0.036 0.000 0.887 57 S HN 0.346 8.562 8.310 0.056 0.127 0.447 58 L N 0.658 121.898 121.223 0.030 0.000 1.989 58 L HA -0.321 4.005 4.340 -0.024 0.000 0.211 58 L C 2.444 179.275 176.870 -0.066 0.000 1.071 58 L CA 3.459 58.295 54.840 -0.008 0.000 0.749 58 L CB -0.445 41.632 42.059 0.030 0.000 0.890 58 L HN 0.526 8.667 8.230 0.053 0.120 0.431 59 F N -2.267 117.550 119.950 -0.221 0.000 2.293 59 F HA -0.242 4.215 4.527 -0.117 0.000 0.300 59 F C 2.131 177.880 175.800 -0.085 0.000 1.086 59 F CA 3.208 61.101 58.000 -0.179 0.000 1.375 59 F CB -0.515 38.291 39.000 -0.323 0.000 1.045 59 F HN -0.208 8.202 8.300 0.184 0.000 0.516 60 G N -2.912 105.933 108.800 0.076 0.000 2.597 60 G HA2 -0.428 3.563 3.960 0.052 0.000 0.222 60 G HA3 -0.428 3.549 3.960 0.028 0.000 0.222 60 G C 1.340 176.264 174.900 0.040 0.000 1.135 60 G CA 1.772 46.900 45.100 0.047 0.000 0.759 60 G HN 0.341 8.450 8.290 0.060 0.217 0.595 61 S N 0.272 115.978 115.700 0.010 0.000 3.697 61 S HA 0.077 4.552 4.470 0.009 0.000 0.207 61 S C -0.668 173.923 174.600 -0.016 0.000 1.459 61 S CA 0.007 58.205 58.200 -0.004 0.000 1.122 61 S CB -1.085 62.103 63.200 -0.020 0.000 1.311 61 S HN -0.394 7.904 8.310 -0.005 0.009 0.487 62 I N -0.734 119.850 120.570 0.024 0.000 3.557 62 I HA 0.190 4.342 4.170 -0.030 0.000 0.259 62 I C -1.015 175.128 176.117 0.045 0.000 1.108 62 I CA -0.050 61.259 61.300 0.015 0.000 1.536 62 I CB 1.918 39.931 38.000 0.022 0.000 1.727 62 I HN -0.498 7.676 8.210 0.061 0.073 0.408 63 G N -2.003 106.888 108.800 0.151 0.000 2.815 63 G HA2 0.258 4.256 3.960 0.064 0.000 0.305 63 G HA3 0.258 4.311 3.960 0.048 -0.064 0.305 63 G C -2.652 172.397 174.900 0.249 0.000 1.277 63 G CA -0.174 45.008 45.100 0.137 0.000 0.795 63 G HN -0.541 7.905 8.290 0.259 0.000 0.528 64 D N 1.797 122.345 120.400 0.246 0.000 2.489 64 D HA 0.003 4.729 4.640 0.143 0.000 0.237 64 D C -0.893 175.575 176.300 0.280 0.000 1.212 64 D CA 0.392 54.524 54.000 0.219 0.000 1.058 64 D CB -0.260 40.633 40.800 0.154 0.000 1.098 64 D HN 0.242 9.193 8.370 0.173 -0.477 0.509 65 I N 4.902 125.550 120.570 0.130 0.000 2.278 65 I HA -0.110 3.909 4.170 -0.428 -0.106 0.300 65 I C 0.054 176.116 176.117 -0.093 0.000 1.174 65 I CA 0.507 61.730 61.300 -0.129 0.000 1.347 65 I CB -1.002 36.917 38.000 -0.135 0.000 1.473 65 I HN -0.192 8.076 8.210 0.134 0.023 0.595 66 E N 7.797 127.948 120.200 -0.082 0.000 2.085 66 E HA -0.317 4.025 4.350 -0.013 0.000 0.194 66 E C -0.573 175.989 176.600 -0.064 0.000 0.994 66 E CA 2.495 58.870 56.400 -0.043 0.000 0.801 66 E CB 0.711 30.399 29.700 -0.019 0.000 0.743 66 E HN 0.395 8.702 8.360 -0.089 0.000 0.453 67 S N -6.616 109.017 115.700 -0.112 0.000 2.643 67 S HA 0.090 4.520 4.470 -0.067 0.000 0.266 67 S C -2.699 171.834 174.600 -0.113 0.000 1.130 67 S CA -0.555 57.593 58.200 -0.086 0.000 0.817 67 S CB 1.201 64.368 63.200 -0.055 0.000 1.107 67 S HN -0.136 8.059 8.310 -0.176 0.010 0.471 68 C N -0.022 119.249 119.300 -0.048 0.000 3.236 68 C HA 0.804 5.369 4.460 -0.014 -0.114 0.312 68 C C -1.849 173.188 174.990 0.078 0.000 1.374 68 C CA -1.813 57.213 59.018 0.014 0.000 1.455 68 C CB 4.708 32.474 27.740 0.044 0.000 1.834 68 C HN 0.304 8.518 8.230 -0.027 0.000 0.460 69 K N -0.741 119.768 120.400 0.182 0.000 2.578 69 K HA 0.312 4.692 4.320 0.100 0.000 0.287 69 K C -2.657 174.112 176.600 0.282 0.000 1.010 69 K CA -1.133 55.269 56.287 0.191 0.000 0.889 69 K CB 3.455 35.996 32.500 0.069 0.000 1.514 69 K HN 0.852 9.165 8.250 0.262 0.094 0.424 70 L N 0.760 122.123 121.223 0.234 0.000 2.588 70 L HA 0.285 4.740 4.340 0.031 -0.097 0.263 70 L C -1.508 175.482 176.870 0.201 0.000 0.935 70 L CA 0.247 55.151 54.840 0.106 0.000 0.891 70 L CB 3.403 45.381 42.059 -0.134 0.000 1.318 70 L HN 0.186 8.517 8.230 0.168 0.000 0.409 71 V N 7.640 127.741 119.914 0.310 0.000 1.959 71 V HA -0.180 4.062 4.120 0.205 0.000 0.242 71 V C -1.703 174.494 176.094 0.172 0.000 1.613 71 V CA 0.794 63.258 62.300 0.273 0.000 1.566 71 V CB -1.620 30.410 31.823 0.345 0.000 1.547 71 V HN 0.185 8.543 8.190 0.280 0.000 0.503 72 R N 4.219 124.768 120.500 0.081 0.000 2.357 72 R HA 0.031 4.378 4.340 0.012 0.000 0.296 72 R C -0.966 175.349 176.300 0.025 0.000 1.052 72 R CA -0.959 55.158 56.100 0.028 0.000 0.988 72 R CB 1.505 31.806 30.300 0.002 0.000 1.025 72 R HN -0.384 7.876 8.270 0.076 0.055 0.469 73 D N 3.322 123.727 120.400 0.008 0.000 2.256 73 D HA 0.046 4.693 4.640 0.013 0.000 0.250 73 D C -0.109 176.189 176.300 -0.003 0.000 1.093 73 D CA -0.120 53.883 54.000 0.005 0.000 0.882 73 D CB 1.256 42.054 40.800 -0.004 0.000 1.185 73 D HN 0.255 8.622 8.370 -0.006 0.000 0.437 74 K N 3.371 123.770 120.400 -0.002 0.000 2.589 74 K HA 0.181 4.498 4.320 -0.006 0.000 0.198 74 K C -0.745 175.852 176.600 -0.005 0.000 1.114 74 K CA 0.063 56.347 56.287 -0.004 0.000 1.070 74 K CB 0.443 32.941 32.500 -0.003 0.000 0.860 74 K HN 0.187 8.437 8.250 0.001 0.000 0.536 75 I N -0.976 119.591 120.570 -0.005 0.000 3.300 75 I HA -0.016 4.151 4.170 -0.005 0.000 0.279 75 I C 0.950 177.063 176.117 -0.008 0.000 1.172 75 I CA 2.214 63.510 61.300 -0.006 0.000 1.431 75 I CB 1.720 39.718 38.000 -0.005 0.000 1.240 75 I HN 0.258 8.841 8.210 -0.005 -0.376 0.453 76 T N -1.909 112.640 114.554 -0.009 0.000 3.058 76 T HA 0.124 4.468 4.350 -0.010 0.000 0.247 76 T C 0.631 175.323 174.700 -0.013 0.000 0.987 76 T CA 0.251 62.344 62.100 -0.011 0.000 1.062 76 T CB 2.142 71.002 68.868 -0.013 0.000 1.048 76 T HN -0.601 8.005 8.240 -0.009 -0.371 0.468 77 G N 1.709 110.499 108.800 -0.015 0.000 2.468 77 G HA2 -0.197 3.752 3.960 -0.018 0.000 0.143 77 G HA3 -0.197 3.753 3.960 -0.017 0.000 0.143 77 G C -0.421 174.464 174.900 -0.025 0.000 1.065 77 G CA -0.214 44.875 45.100 -0.019 0.000 0.776 77 G HN 0.073 8.763 8.290 -0.015 -0.410 0.486 78 Q N 0.941 120.724 119.800 -0.029 0.000 2.042 78 Q HA 0.019 4.335 4.340 -0.039 0.000 0.194 78 Q C -0.341 175.626 176.000 -0.055 0.000 0.978 78 Q CA 0.690 56.469 55.803 -0.040 0.000 0.828 78 Q CB 1.220 29.935 28.738 -0.037 0.000 0.901 78 Q HN 0.641 9.422 8.270 -0.024 -0.525 0.461 79 S N -2.926 112.739 115.700 -0.059 0.000 3.080 79 S HA -0.295 4.132 4.470 -0.072 0.000 0.790 79 S C 0.225 174.737 174.600 -0.147 0.000 0.736 79 S CA -0.092 58.056 58.200 -0.086 0.000 1.493 79 S CB -0.064 63.090 63.200 -0.077 0.000 1.047 79 S HN -0.253 8.030 8.310 -0.044 0.000 0.709 80 L N 5.178 126.274 121.223 -0.212 0.000 2.004 80 L HA 0.048 4.203 4.340 -0.308 0.000 0.205 80 L C 0.240 176.783 176.870 -0.545 0.000 1.089 80 L CA 1.145 55.738 54.840 -0.412 0.000 0.756 80 L CB 0.402 42.113 42.059 -0.581 0.000 0.900 80 L HN 0.902 9.041 8.230 -0.152 0.000 0.440 81 G N -5.684 102.705 108.800 -0.685 0.000 2.419 81 G HA2 -0.076 3.695 3.960 -0.315 0.000 0.228 81 G HA3 -0.076 3.615 3.960 -0.448 0.000 0.228 81 G C -1.795 172.802 174.900 -0.505 0.000 1.177 81 G CA -0.540 44.258 45.100 -0.503 0.000 0.876 81 G HN 0.187 8.052 8.290 -0.708 0.000 0.493 82 Y N -4.092 116.032 120.300 -0.293 0.000 2.558 82 Y HA 0.989 5.429 4.550 -0.374 -0.114 0.333 82 Y C -2.194 173.347 175.900 -0.598 0.000 1.125 82 Y CA -3.937 53.914 58.100 -0.415 0.000 1.039 82 Y CB 1.296 39.507 38.460 -0.414 0.000 1.331 82 Y HN -0.630 7.511 8.280 -0.231 0.000 0.456 83 G N -1.481 106.939 108.800 -0.634 0.000 3.086 83 G HA2 0.775 4.344 3.960 -0.682 0.000 0.282 83 G HA3 0.775 4.130 3.960 -1.028 -0.011 0.282 83 G C -2.854 171.360 174.900 -1.144 0.000 1.343 83 G CA -1.575 42.994 45.100 -0.885 0.000 0.895 83 G HN 0.915 8.777 8.290 -0.501 0.127 0.557 84 F N -4.888 115.001 119.950 -0.100 0.000 2.631 84 F HA 0.870 5.548 4.527 -0.036 -0.173 0.308 84 F C -1.252 174.519 175.800 -0.049 0.000 1.097 84 F CA -1.275 56.697 58.000 -0.046 0.000 0.952 84 F CB 4.847 43.801 39.000 -0.077 0.000 1.307 84 F HN 0.905 9.116 8.300 0.024 0.103 0.450 85 V N 0.301 120.230 119.914 0.025 0.000 2.577 85 V HA 0.252 4.340 4.120 -0.239 -0.111 0.303 85 V C -1.890 174.059 176.094 -0.242 0.000 1.042 85 V CA -0.850 61.305 62.300 -0.241 0.000 0.872 85 V CB 2.795 34.328 31.823 -0.484 0.000 0.998 85 V HN 1.153 9.268 8.190 0.085 0.127 0.423 86 N N 5.765 124.294 118.700 -0.285 0.000 2.437 86 N HA 0.436 5.356 4.740 -0.073 -0.224 0.259 86 N C -1.309 174.036 175.510 -0.275 0.000 0.983 86 N CA -1.960 50.983 53.050 -0.179 0.000 0.937 86 N CB 2.189 40.620 38.487 -0.094 0.000 1.122 86 N HN 0.999 9.085 8.380 -0.284 0.123 0.499 87 Y N 4.379 124.696 120.300 0.028 0.000 2.360 87 Y HA 0.370 5.157 4.550 0.029 -0.220 0.337 87 Y C 0.350 176.269 175.900 0.031 0.000 1.039 87 Y CA -0.210 57.909 58.100 0.032 0.000 1.109 87 Y CB 2.028 40.512 38.460 0.039 0.000 1.201 87 Y HN 0.187 8.543 8.280 0.126 0.000 0.458 88 S N 2.799 118.616 115.700 0.195 0.000 2.369 88 S HA -0.347 4.173 4.470 0.084 0.000 0.225 88 S C 0.057 174.722 174.600 0.110 0.000 1.043 88 S CA 3.566 61.835 58.200 0.116 0.000 1.074 88 S CB 0.599 63.855 63.200 0.094 0.000 0.962 88 S HN 0.231 8.676 8.310 0.224 0.000 0.433 89 D N -3.161 117.309 120.400 0.116 0.000 2.457 89 D HA 0.328 5.016 4.640 0.079 0.000 0.240 89 D C -1.554 174.797 176.300 0.086 0.000 1.041 89 D CA -3.093 50.957 54.000 0.084 0.000 0.861 89 D CB 1.981 42.813 40.800 0.054 0.000 1.394 89 D HN -0.789 7.661 8.370 0.133 0.000 0.473 90 P HA -0.320 4.181 4.420 0.134 0.000 0.218 90 P C 1.181 178.505 177.300 0.041 0.000 1.150 90 P CA 2.163 65.319 63.100 0.093 0.000 0.841 90 P CB 0.488 32.241 31.700 0.089 0.000 0.784 91 N N -0.879 117.828 118.700 0.012 0.000 2.018 91 N HA -0.352 4.601 4.740 -0.012 -0.220 0.196 91 N C 2.257 177.700 175.510 -0.112 0.000 1.043 91 N CA 4.222 57.256 53.050 -0.027 0.000 0.856 91 N CB -0.292 38.184 38.487 -0.018 0.000 1.042 91 N HN 0.292 9.053 8.380 0.026 -0.365 0.423 92 D N -0.225 120.075 120.400 -0.168 0.000 2.218 92 D HA -0.240 4.175 4.640 -0.375 0.000 0.204 92 D C 1.949 177.704 176.300 -0.908 0.000 0.976 92 D CA 3.505 57.231 54.000 -0.457 0.000 0.853 92 D CB -0.675 39.934 40.800 -0.318 0.000 0.939 92 D HN -0.387 7.937 8.370 -0.077 0.000 0.481 93 A N -0.482 122.079 122.820 -0.432 0.000 1.873 93 A HA -0.324 3.883 4.320 -0.189 0.000 0.215 93 A C 1.446 178.941 177.584 -0.148 0.000 1.186 93 A CA 3.184 55.107 52.037 -0.189 0.000 0.616 93 A CB -0.420 18.654 19.000 0.123 0.000 0.823 93 A HN -0.613 7.300 8.150 -0.168 0.137 0.442 94 D N -2.284 118.084 120.400 -0.053 0.000 2.183 94 D HA -0.200 4.476 4.640 0.060 0.000 0.205 94 D C 2.062 178.333 176.300 -0.048 0.000 0.962 94 D CA 2.342 56.357 54.000 0.024 0.000 0.849 94 D CB -0.015 40.849 40.800 0.107 0.000 0.978 94 D HN 0.230 8.576 8.370 -0.039 0.000 0.488 95 K N 0.385 120.720 120.400 -0.109 0.000 2.032 95 K HA -0.372 3.909 4.320 -0.066 0.000 0.209 95 K C 1.904 178.425 176.600 -0.132 0.000 1.048 95 K CA 2.663 58.883 56.287 -0.112 0.000 0.927 95 K CB -0.441 31.982 32.500 -0.129 0.000 0.712 95 K HN 0.489 8.543 8.250 -0.129 0.119 0.441 96 A N -1.507 121.177 122.820 -0.226 0.000 1.858 96 A HA -0.271 3.971 4.320 -0.130 0.000 0.216 96 A C 2.043 179.597 177.584 -0.050 0.000 1.190 96 A CA 3.018 54.966 52.037 -0.148 0.000 0.617 96 A CB -0.694 18.212 19.000 -0.156 0.000 0.827 96 A HN -0.382 7.437 8.150 -0.366 0.112 0.443 97 I N -1.171 119.386 120.570 -0.022 0.000 2.194 97 I HA -0.706 3.499 4.170 0.058 0.000 0.246 97 I C 1.863 177.984 176.117 0.007 0.000 1.093 97 I CA 4.035 65.344 61.300 0.015 0.000 1.355 97 I CB -0.550 37.443 38.000 -0.011 0.000 1.046 97 I HN -0.628 7.542 8.210 -0.068 0.000 0.413 98 N N -1.188 117.508 118.700 -0.006 0.000 2.184 98 N HA -0.304 4.444 4.740 0.014 0.000 0.190 98 N C 1.656 177.155 175.510 -0.019 0.000 1.011 98 N CA 3.059 56.106 53.050 -0.004 0.000 0.867 98 N CB 0.083 38.562 38.487 -0.013 0.000 0.993 98 N HN 0.399 8.652 8.380 -0.018 0.116 0.433 99 T N -1.265 113.264 114.554 -0.042 0.000 3.034 99 T HA 0.036 4.358 4.350 -0.047 0.000 0.248 99 T C 0.533 175.191 174.700 -0.069 0.000 1.040 99 T CA 2.592 64.656 62.100 -0.060 0.000 1.107 99 T CB 1.495 70.311 68.868 -0.087 0.000 0.932 99 T HN -0.211 7.848 8.240 -0.050 0.151 0.474 100 L N -2.459 118.726 121.223 -0.063 0.000 2.700 100 L HA 0.175 4.468 4.340 -0.079 0.000 0.234 100 L C 0.512 177.407 176.870 0.040 0.000 1.156 100 L CA -0.057 54.755 54.840 -0.047 0.000 0.946 100 L CB -0.311 41.692 42.059 -0.093 0.000 1.216 100 L HN -0.007 7.998 8.230 -0.049 0.196 0.493 101 N N 2.659 121.378 118.700 0.032 0.000 2.926 101 N HA -0.132 4.653 4.740 0.076 0.000 0.284 101 N C -0.662 174.870 175.510 0.037 0.000 1.303 101 N CA -0.110 52.970 53.050 0.051 0.000 1.062 101 N CB -1.154 37.361 38.487 0.047 0.000 1.389 101 N HN 0.244 8.562 8.380 0.011 0.068 0.538 102 G N -2.300 106.523 108.800 0.037 0.000 2.587 102 G HA2 -0.270 3.725 3.960 0.010 0.000 0.216 102 G HA3 -0.270 3.686 3.960 -0.007 0.000 0.216 102 G C -1.529 173.370 174.900 -0.002 0.000 1.124 102 G CA -0.425 44.680 45.100 0.009 0.000 0.858 102 G HN 0.038 8.255 8.290 0.055 0.106 0.523 103 L N 0.992 122.223 121.223 0.014 0.000 2.433 103 L HA -0.023 4.308 4.340 -0.014 0.000 0.284 103 L C -0.515 176.357 176.870 0.003 0.000 1.120 103 L CA -0.507 54.333 54.840 0.000 0.000 0.879 103 L CB -0.039 42.020 42.059 -0.001 0.000 1.232 103 L HN 0.893 9.033 8.230 0.042 0.115 0.454 104 K N 6.769 127.162 120.400 -0.013 0.000 2.382 104 K HA -0.135 4.172 4.320 -0.022 0.000 0.286 104 K C -0.981 175.615 176.600 -0.006 0.000 1.062 104 K CA 0.670 56.947 56.287 -0.017 0.000 1.000 104 K CB -0.087 32.399 32.500 -0.025 0.000 0.954 104 K HN 0.136 8.376 8.250 -0.018 0.000 0.470 105 L N 7.167 128.392 121.223 0.003 0.000 2.376 105 L HA 0.195 4.538 4.340 0.006 0.000 0.267 105 L C -0.215 176.657 176.870 0.003 0.000 1.035 105 L CA -1.031 53.814 54.840 0.009 0.000 0.800 105 L CB 1.611 43.685 42.059 0.025 0.000 1.290 105 L HN 0.619 8.718 8.230 0.003 0.133 0.462 106 Q N -1.465 118.337 119.800 0.004 0.000 2.197 106 Q HA -0.213 4.126 4.340 -0.002 0.000 0.207 106 Q C 0.438 176.438 176.000 -0.000 0.000 0.984 106 Q CA 2.432 58.236 55.803 0.001 0.000 0.869 106 Q CB 0.271 29.010 28.738 0.002 0.000 0.906 106 Q HN 0.363 8.637 8.270 0.007 0.000 0.426 107 T N -6.120 108.437 114.554 0.004 0.000 3.071 107 T HA -0.063 4.286 4.350 -0.002 0.000 0.239 107 T C -0.449 174.253 174.700 0.004 0.000 0.997 107 T CA 0.590 62.691 62.100 0.003 0.000 1.134 107 T CB 0.606 69.477 68.868 0.005 0.000 0.928 107 T HN -0.288 7.930 8.240 0.009 0.027 0.453 108 K N -1.164 119.244 120.400 0.013 0.000 2.466 108 K HA 0.226 4.542 4.320 -0.008 0.000 0.277 108 K C -2.314 174.291 176.600 0.008 0.000 1.039 108 K CA -1.132 55.164 56.287 0.014 0.000 0.904 108 K CB 3.609 36.145 32.500 0.060 0.000 1.506 108 K HN -0.659 7.602 8.250 0.018 0.000 0.441 109 T N 3.239 117.778 114.554 -0.026 0.000 2.770 109 T HA 0.242 4.695 4.350 -0.011 -0.111 0.297 109 T C -0.532 174.189 174.700 0.036 0.000 0.997 109 T CA 0.441 62.519 62.100 -0.037 0.000 0.949 109 T CB 0.262 69.055 68.868 -0.124 0.000 0.941 109 T HN 0.181 8.384 8.240 -0.062 0.000 0.457 110 I N 8.921 129.544 120.570 0.087 0.000 2.471 110 I HA -0.262 4.325 4.170 0.217 -0.287 0.294 110 I C -1.167 175.046 176.117 0.160 0.000 1.123 110 I CA 0.694 62.094 61.300 0.165 0.000 1.336 110 I CB -0.605 37.508 38.000 0.187 0.000 1.430 110 I HN 1.258 9.415 8.210 0.063 0.091 0.533 111 K N 9.016 129.543 120.400 0.211 0.000 2.265 111 K HA 0.511 5.152 4.320 0.127 -0.245 0.267 111 K C -1.532 175.190 176.600 0.203 0.000 0.994 111 K CA -1.609 54.786 56.287 0.180 0.000 0.860 111 K CB 2.891 35.486 32.500 0.158 0.000 1.099 111 K HN 0.678 9.110 8.250 0.304 0.000 0.448 112 V N 5.962 125.981 119.914 0.175 0.000 2.481 112 V HA 0.302 4.644 4.120 0.149 -0.132 0.286 112 V C -0.928 175.212 176.094 0.077 0.000 1.042 112 V CA -0.339 62.054 62.300 0.155 0.000 0.928 112 V CB 0.679 32.640 31.823 0.229 0.000 0.986 112 V HN -0.045 8.236 8.190 0.151 0.000 0.462 113 S N 4.055 119.772 115.700 0.028 0.000 2.688 113 S HA 0.368 4.828 4.470 -0.018 0.000 0.275 113 S C -2.168 172.400 174.600 -0.054 0.000 1.175 113 S CA -1.962 56.249 58.200 0.018 0.000 0.818 113 S CB 2.311 65.593 63.200 0.137 0.000 1.157 113 S HN 0.777 8.974 8.310 0.024 0.127 0.482 114 Y N -0.982 119.378 120.300 0.100 0.000 2.313 114 Y HA -0.017 4.602 4.550 0.116 0.000 0.332 114 Y C -0.488 175.466 175.900 0.090 0.000 1.071 114 Y CA 0.013 58.172 58.100 0.098 0.000 1.169 114 Y CB 0.725 39.234 38.460 0.082 0.000 1.192 114 Y HN 0.086 8.636 8.280 0.451 0.000 0.487 115 A N 6.119 129.077 122.820 0.229 0.000 2.354 115 A HA 0.078 4.485 4.320 0.145 0.000 0.281 115 A C -0.511 177.156 177.584 0.137 0.000 1.174 115 A CA -0.253 51.884 52.037 0.166 0.000 0.828 115 A CB 0.473 19.576 19.000 0.172 0.000 1.099 115 A HN -0.147 8.140 8.150 0.229 0.000 0.516 116 R N 4.628 125.193 120.500 0.109 0.000 2.490 116 R HA 0.153 4.544 4.340 0.086 0.000 0.280 116 R C -1.802 174.534 176.300 0.059 0.000 1.077 116 R CA -2.758 53.392 56.100 0.084 0.000 1.065 116 R CB 0.083 30.431 30.300 0.079 0.000 1.003 116 R HN 0.242 8.576 8.270 0.107 0.000 0.470 117 P HA 0.151 4.585 4.420 0.024 0.000 0.281 117 P C -1.338 175.980 177.300 0.030 0.000 1.286 117 P CA -0.216 62.902 63.100 0.031 0.000 0.772 117 P CB 0.624 32.340 31.700 0.026 0.000 0.862 118 S N 4.246 119.960 115.700 0.024 0.000 2.816 118 S HA 0.141 4.629 4.470 0.031 0.000 0.253 118 S C -0.246 174.364 174.600 0.017 0.000 1.055 118 S CA -0.733 57.483 58.200 0.027 0.000 1.032 118 S CB 1.512 64.732 63.200 0.033 0.000 1.270 118 S HN 0.217 8.538 8.310 0.018 0.000 0.587 119 S N 0.720 116.430 115.700 0.017 0.000 2.691 119 S HA 0.131 4.606 4.470 0.008 0.000 0.241 119 S C -0.087 174.517 174.600 0.007 0.000 1.077 119 S CA 0.400 58.606 58.200 0.011 0.000 0.900 119 S CB 0.944 64.152 63.200 0.013 0.000 0.805 119 S HN 0.259 8.583 8.310 0.023 0.000 0.529 120 A N 0.412 123.238 122.820 0.010 0.000 2.511 120 A HA 0.048 4.367 4.320 -0.000 0.000 0.201 120 A C -0.636 176.955 177.584 0.011 0.000 1.628 120 A CA 0.804 52.845 52.037 0.006 0.000 1.578 120 A CB 0.186 19.188 19.000 0.004 0.000 1.443 120 A HN -0.282 7.878 8.150 0.016 0.000 0.514 121 S N 2.389 118.101 115.700 0.019 0.000 3.072 121 S HA 0.145 4.629 4.470 0.023 0.000 0.306 121 S C -0.991 173.634 174.600 0.041 0.000 1.207 121 S CA 0.089 58.306 58.200 0.027 0.000 1.008 121 S CB -0.683 62.533 63.200 0.028 0.000 1.390 121 S HN 0.012 8.333 8.310 0.019 0.000 0.523 122 I N 1.271 121.864 120.570 0.039 0.000 2.859 122 I HA 0.507 4.892 4.170 0.069 -0.173 0.296 122 I C -0.926 175.225 176.117 0.057 0.000 1.300 122 I CA -1.320 60.012 61.300 0.052 0.000 1.020 122 I CB -0.618 37.407 38.000 0.041 0.000 1.823 122 I HN -0.572 7.655 8.210 0.028 0.000 0.599 123 R N 2.975 123.519 120.500 0.073 0.000 2.765 123 R HA 0.173 4.569 4.340 0.094 0.000 0.277 123 R C -1.946 174.406 176.300 0.088 0.000 1.028 123 R CA 0.176 56.325 56.100 0.082 0.000 0.860 123 R CB 2.964 33.307 30.300 0.072 0.000 1.270 123 R HN -0.353 7.963 8.270 0.076 0.000 0.484 124 D N -1.566 118.887 120.400 0.089 0.000 2.705 124 D HA -0.236 4.449 4.640 0.075 0.000 0.240 124 D C -1.406 174.980 176.300 0.145 0.000 1.137 124 D CA 1.365 55.413 54.000 0.080 0.000 0.677 124 D CB -0.367 40.449 40.800 0.027 0.000 1.049 124 D HN 0.481 8.907 8.370 0.093 0.000 0.427 125 A N -3.152 119.787 122.820 0.199 0.000 3.253 125 A HA 0.167 4.751 4.320 0.441 0.000 0.290 125 A C -2.788 174.965 177.584 0.283 0.000 0.950 125 A CA -1.019 51.207 52.037 0.315 0.000 0.986 125 A CB 0.724 19.905 19.000 0.302 0.000 1.104 125 A HN 0.104 8.350 8.150 0.160 0.000 0.481 126 N N 0.668 119.529 118.700 0.269 0.000 2.424 126 N HA 0.106 4.917 4.740 0.118 0.000 0.271 126 N C -2.013 173.633 175.510 0.226 0.000 0.985 126 N CA -0.762 52.395 53.050 0.179 0.000 0.921 126 N CB 1.696 40.245 38.487 0.103 0.000 1.149 126 N HN -0.165 8.395 8.380 0.301 0.000 0.492 127 L N 3.882 125.182 121.223 0.128 0.000 2.317 127 L HA 0.316 4.845 4.340 0.129 -0.111 0.281 127 L C -1.269 175.751 176.870 0.250 0.000 1.024 127 L CA -0.846 54.049 54.840 0.092 0.000 0.810 127 L CB 2.436 44.441 42.059 -0.090 0.000 1.240 127 L HN -0.432 7.721 8.230 0.049 0.107 0.427 128 Y N 5.688 126.092 120.300 0.173 0.000 2.328 128 Y HA 0.444 5.402 4.550 0.490 -0.114 0.337 128 Y C -2.490 173.377 175.900 -0.055 0.000 0.966 128 Y CA -2.157 56.090 58.100 0.244 0.000 1.136 128 Y CB 2.396 41.074 38.460 0.363 0.000 1.170 128 Y HN 1.400 9.727 8.280 0.282 0.122 0.470 129 V N 10.055 129.508 119.914 -0.768 0.000 2.349 129 V HA 0.519 4.377 4.120 -0.669 -0.140 0.284 129 V C -1.262 174.403 176.094 -0.715 0.000 1.014 129 V CA -1.534 60.346 62.300 -0.700 0.000 0.826 129 V CB 1.432 33.014 31.823 -0.401 0.000 1.009 129 V HN 1.423 9.032 8.190 -0.783 0.112 0.431 130 S N 6.043 121.315 115.700 -0.714 0.000 2.722 130 S HA 0.414 4.718 4.470 -0.276 0.000 0.292 130 S C 0.473 174.957 174.600 -0.193 0.000 1.135 130 S CA -2.135 55.861 58.200 -0.341 0.000 1.003 130 S CB 1.901 65.025 63.200 -0.127 0.000 1.067 130 S HN 0.697 8.413 8.310 -0.825 0.099 0.546 131 G N -0.760 107.979 108.800 -0.102 0.000 2.165 131 G HA2 -0.377 3.558 3.960 -0.042 0.000 0.226 131 G HA3 -0.377 3.660 3.960 -0.069 -0.118 0.226 131 G C -1.141 173.718 174.900 -0.069 0.000 1.035 131 G CA 0.250 45.309 45.100 -0.068 0.000 0.744 131 G HN 0.111 8.357 8.290 -0.074 0.000 0.501 132 L N -0.582 120.594 121.223 -0.078 0.000 2.334 132 L HA 0.378 4.683 4.340 -0.057 0.000 0.272 132 L C -2.090 174.753 176.870 -0.045 0.000 1.020 132 L CA -2.770 52.030 54.840 -0.067 0.000 0.812 132 L CB 0.808 42.811 42.059 -0.093 0.000 1.264 132 L HN -0.935 7.243 8.230 -0.086 0.000 0.439 133 P HA 0.092 4.500 4.420 -0.020 0.000 0.275 133 P C -0.313 176.974 177.300 -0.022 0.000 1.266 133 P CA -1.067 62.019 63.100 -0.023 0.000 0.793 133 P CB 1.047 32.736 31.700 -0.018 0.000 1.074 134 K N -1.571 118.820 120.400 -0.015 0.000 2.097 134 K HA -0.201 4.112 4.320 -0.013 0.000 0.205 134 K C 1.678 178.271 176.600 -0.012 0.000 1.050 134 K CA 2.413 58.693 56.287 -0.012 0.000 0.938 134 K CB -0.145 32.351 32.500 -0.007 0.000 0.718 134 K HN 0.266 8.509 8.250 -0.012 0.000 0.442 135 T N -2.491 112.056 114.554 -0.011 0.000 3.535 135 T HA -0.097 4.248 4.350 -0.007 0.000 0.238 135 T C -0.924 173.769 174.700 -0.012 0.000 0.909 135 T CA -1.566 60.529 62.100 -0.009 0.000 0.928 135 T CB -0.990 67.874 68.868 -0.006 0.000 1.134 135 T HN -0.274 7.960 8.240 -0.011 0.000 0.627 136 M N 3.309 122.899 119.600 -0.018 0.000 2.292 136 M HA -0.107 4.361 4.480 -0.021 0.000 0.342 136 M C -0.873 175.417 176.300 -0.017 0.000 1.538 136 M CA -1.163 54.123 55.300 -0.023 0.000 1.163 136 M CB -0.229 32.346 32.600 -0.041 0.000 1.823 136 M HN -0.602 7.567 8.290 -0.019 0.110 0.462 137 S N 5.842 121.536 115.700 -0.010 0.000 2.416 137 S HA 0.137 4.605 4.470 -0.004 0.000 0.287 137 S C 0.768 175.366 174.600 -0.003 0.000 1.139 137 S CA -1.056 57.142 58.200 -0.004 0.000 1.058 137 S CB 0.508 63.710 63.200 0.003 0.000 0.967 137 S HN 0.319 8.624 8.310 -0.008 0.000 0.495 138 Q N 8.649 128.445 119.800 -0.007 0.000 2.118 138 Q HA -0.516 3.810 4.340 -0.024 0.000 0.211 138 Q C 2.055 178.057 176.000 0.003 0.000 0.998 138 Q CA 3.878 59.675 55.803 -0.009 0.000 0.872 138 Q CB -0.146 28.589 28.738 -0.004 0.000 0.925 138 Q HN 0.813 9.080 8.270 -0.006 0.000 0.414 139 K N -1.931 118.477 120.400 0.013 0.000 2.020 139 K HA -0.357 4.176 4.320 0.026 -0.197 0.212 139 K C 2.467 179.090 176.600 0.038 0.000 1.050 139 K CA 3.271 59.572 56.287 0.024 0.000 0.929 139 K CB -0.275 32.239 32.500 0.022 0.000 0.714 139 K HN -0.124 8.129 8.250 0.010 0.003 0.443 140 E N -0.967 119.254 120.200 0.034 0.000 2.097 140 E HA -0.307 4.073 4.350 0.050 0.000 0.196 140 E C 2.722 179.370 176.600 0.080 0.000 1.000 140 E CA 3.230 59.659 56.400 0.047 0.000 0.804 140 E CB -0.482 29.237 29.700 0.032 0.000 0.740 140 E HN -0.595 7.779 8.360 0.023 0.000 0.454 141 M N -2.521 117.119 119.600 0.067 0.000 2.159 141 M HA -0.315 4.286 4.480 0.202 0.000 0.263 141 M C 2.034 178.422 176.300 0.148 0.000 1.063 141 M CA 2.169 57.533 55.300 0.106 0.000 1.110 141 M CB -1.145 31.441 32.600 -0.023 0.000 1.374 141 M HN -0.394 7.834 8.290 0.033 0.082 0.411 142 E N 0.437 120.681 120.200 0.074 0.000 2.046 142 E HA -0.386 3.991 4.350 0.046 0.000 0.190 142 E C 2.068 178.752 176.600 0.139 0.000 0.982 142 E CA 3.195 59.640 56.400 0.075 0.000 0.800 142 E CB -0.382 29.340 29.700 0.036 0.000 0.756 142 E HN 0.209 8.475 8.360 0.048 0.123 0.449 143 Q N 0.450 120.319 119.800 0.116 0.000 2.170 143 Q HA -0.257 4.150 4.340 0.111 0.000 0.203 143 Q C 2.676 178.765 176.000 0.149 0.000 0.976 143 Q CA 2.866 58.737 55.803 0.114 0.000 0.858 143 Q CB 0.049 28.832 28.738 0.076 0.000 0.907 143 Q HN 0.512 8.719 8.270 0.090 0.117 0.433 144 L N -0.254 121.072 121.223 0.172 0.000 2.005 144 L HA -0.289 4.124 4.340 0.121 0.000 0.207 144 L C 2.095 179.075 176.870 0.183 0.000 1.072 144 L CA 3.364 58.292 54.840 0.146 0.000 0.744 144 L CB 0.129 42.248 42.059 0.100 0.000 0.895 144 L HN -0.065 8.245 8.230 0.173 0.024 0.433 145 F N -3.244 116.795 119.950 0.149 0.000 2.416 145 F HA -0.173 4.559 4.527 0.341 0.000 0.296 145 F C 1.866 177.927 175.800 0.435 0.000 1.099 145 F CA 2.957 61.129 58.000 0.286 0.000 1.427 145 F CB -0.196 38.839 39.000 0.058 0.000 1.079 145 F HN -0.465 8.164 8.300 0.548 0.000 0.536 146 S N 0.421 116.370 115.700 0.415 0.000 2.370 146 S HA -0.343 4.537 4.470 0.387 -0.178 0.226 146 S C 1.649 176.408 174.600 0.264 0.000 1.033 146 S CA 3.244 61.637 58.200 0.322 0.000 1.011 146 S CB 0.117 63.432 63.200 0.192 0.000 0.852 146 S HN 0.444 8.845 8.310 0.336 0.111 0.457 147 Q N -0.758 119.169 119.800 0.211 0.000 2.170 147 Q HA -0.252 4.121 4.340 0.055 0.000 0.203 147 Q C 1.286 177.303 176.000 0.028 0.000 0.976 147 Q CA 2.603 58.457 55.803 0.085 0.000 0.858 147 Q CB -0.168 28.584 28.738 0.023 0.000 0.907 147 Q HN -0.495 7.912 8.270 0.228 0.000 0.433 148 Y N -1.169 119.163 120.300 0.053 0.000 2.206 148 Y HA -0.078 4.439 4.550 -0.053 0.000 0.292 148 Y C 0.389 176.242 175.900 -0.078 0.000 1.123 148 Y CA 0.870 58.958 58.100 -0.020 0.000 1.142 148 Y CB 1.029 39.463 38.460 -0.043 0.000 1.006 148 Y HN -0.926 7.494 8.280 0.464 0.138 0.518 149 G N -4.913 103.992 108.800 0.175 0.000 2.684 149 G HA2 0.272 4.216 3.960 -0.067 0.000 0.290 149 G HA3 0.272 3.796 3.960 -0.726 0.000 0.290 149 G C -2.859 172.257 174.900 0.360 0.000 1.425 149 G CA -0.302 44.759 45.100 -0.066 0.000 0.822 149 G HN -0.117 8.356 8.290 0.498 0.116 0.482 150 R N 0.489 121.149 120.500 0.266 0.000 2.351 150 R HA 0.050 4.551 4.340 0.267 0.000 0.321 150 R C -0.667 175.917 176.300 0.473 0.000 1.182 150 R CA -0.885 55.400 56.100 0.308 0.000 1.011 150 R CB -0.259 30.148 30.300 0.179 0.000 1.048 150 R HN 0.402 9.153 8.270 0.115 -0.413 0.490 151 I N 5.093 125.901 120.570 0.396 0.000 2.496 151 I HA -0.263 3.969 4.170 0.103 0.000 0.285 151 I C -0.627 175.547 176.117 0.095 0.000 1.080 151 I CA 1.080 62.457 61.300 0.128 0.000 1.404 151 I CB 0.202 38.138 38.000 -0.107 0.000 1.403 151 I HN -0.306 8.118 8.210 0.356 0.000 0.539 152 I N 5.686 126.299 120.570 0.070 0.000 2.628 152 I HA -0.020 4.206 4.170 0.093 0.000 0.255 152 I C 0.269 176.417 176.117 0.051 0.000 1.119 152 I CA 0.399 61.746 61.300 0.078 0.000 1.448 152 I CB 0.918 38.976 38.000 0.097 0.000 1.133 152 I HN 0.785 8.913 8.210 0.047 0.110 0.438 153 T N -4.344 110.215 114.554 0.009 0.000 3.483 153 T HA 0.214 4.576 4.350 0.021 0.000 0.329 153 T C -2.141 172.531 174.700 -0.047 0.000 1.014 153 T CA -1.403 60.705 62.100 0.012 0.000 1.056 153 T CB 2.249 71.158 68.868 0.069 0.000 1.090 153 T HN -0.357 7.865 8.240 -0.029 0.000 0.460 154 S N 5.066 120.729 115.700 -0.062 0.000 2.500 154 S HA 0.844 5.392 4.470 -0.133 -0.157 0.301 154 S C -0.858 173.719 174.600 -0.039 0.000 1.092 154 S CA -1.272 56.862 58.200 -0.109 0.000 1.030 154 S CB 2.465 65.554 63.200 -0.185 0.000 1.031 154 S HN 0.151 8.441 8.310 -0.033 0.000 0.483 155 R N 4.989 125.483 120.500 -0.009 0.000 2.728 155 R HA 0.334 4.672 4.340 -0.004 0.000 0.274 155 R C -2.742 173.579 176.300 0.034 0.000 1.030 155 R CA -0.172 55.946 56.100 0.029 0.000 0.876 155 R CB 4.022 34.364 30.300 0.070 0.000 1.259 155 R HN 0.959 9.107 8.270 -0.012 0.114 0.468 156 I N 0.763 121.341 120.570 0.014 0.000 2.436 156 I HA 0.603 4.842 4.170 -0.128 -0.145 0.289 156 I C -0.582 175.561 176.117 0.045 0.000 1.010 156 I CA -1.363 59.917 61.300 -0.034 0.000 1.098 156 I CB 2.513 40.470 38.000 -0.072 0.000 1.266 156 I HN 0.217 8.438 8.210 0.017 0.000 0.434 157 L N 5.892 127.171 121.223 0.095 0.000 2.278 157 L HA 0.521 4.925 4.340 0.107 0.000 0.287 157 L C -1.896 175.009 176.870 0.058 0.000 1.072 157 L CA -0.382 54.534 54.840 0.127 0.000 0.819 157 L CB 0.646 42.854 42.059 0.248 0.000 1.176 157 L HN 0.857 9.024 8.230 0.047 0.092 0.435 158 L N 4.966 126.212 121.223 0.039 0.000 2.491 158 L HA 0.202 4.557 4.340 0.025 0.000 0.260 158 L C -1.966 174.914 176.870 0.016 0.000 1.200 158 L CA 0.368 55.221 54.840 0.021 0.000 0.882 158 L CB 1.438 43.501 42.059 0.007 0.000 1.058 158 L HN 0.320 8.574 8.230 0.040 0.000 0.487 159 D N 2.880 123.291 120.400 0.018 0.000 2.253 159 D HA 0.228 4.872 4.640 0.008 0.000 0.249 159 D C -1.456 174.849 176.300 0.008 0.000 1.049 159 D CA -0.281 53.725 54.000 0.011 0.000 0.929 159 D CB 3.445 44.252 40.800 0.010 0.000 1.176 159 D HN -0.325 8.059 8.370 0.024 0.000 0.437 160 Q N 1.639 121.441 119.800 0.004 0.000 2.038 160 Q HA 0.140 4.483 4.340 0.004 0.000 0.240 160 Q C -1.378 174.623 176.000 0.001 0.000 0.831 160 Q CA 0.149 55.954 55.803 0.003 0.000 1.068 160 Q CB 0.779 29.518 28.738 0.002 0.000 1.241 160 Q HN 0.572 8.844 8.270 0.003 0.000 0.435 161 A N -0.024 122.796 122.820 0.001 0.000 1.480 161 A HA 0.194 4.513 4.320 -0.001 0.000 0.207 161 A C -0.286 177.297 177.584 -0.002 0.000 1.923 161 A CA 1.816 53.852 52.037 -0.001 0.000 1.531 161 A CB 1.313 20.312 19.000 -0.002 0.000 1.476 161 A HN 0.745 9.351 8.150 0.001 -0.456 0.317 162 T N -1.941 112.611 114.554 -0.002 0.000 3.086 162 T HA 0.262 4.609 4.350 -0.005 0.000 0.250 162 T C 0.637 175.336 174.700 -0.003 0.000 1.074 162 T CA -0.647 61.451 62.100 -0.004 0.000 0.988 162 T CB 1.016 69.879 68.868 -0.007 0.000 0.988 162 T HN 0.122 8.568 8.240 -0.002 -0.206 0.530 163 G N 0.796 109.596 108.800 0.000 0.000 3.551 163 G HA2 0.182 4.142 3.960 0.001 0.000 0.174 163 G HA3 0.182 4.144 3.960 0.004 0.000 0.174 163 G C -2.401 172.503 174.900 0.006 0.000 1.280 163 G CA -0.380 44.722 45.100 0.003 0.000 1.236 163 G HN -0.272 8.201 8.290 0.001 -0.183 0.731 164 V N -0.313 119.607 119.914 0.010 0.000 3.204 164 V HA 0.188 4.314 4.120 0.009 0.000 0.298 164 V C -1.449 174.655 176.094 0.017 0.000 1.328 164 V CA -2.177 60.130 62.300 0.012 0.000 1.035 164 V CB 3.675 35.505 31.823 0.013 0.000 1.095 164 V HN -0.385 7.813 8.190 0.013 0.000 0.442 165 S N 3.173 118.882 115.700 0.015 0.000 2.549 165 S HA 0.119 4.697 4.470 0.016 -0.099 0.279 165 S C -0.641 173.972 174.600 0.023 0.000 1.321 165 S CA 0.652 58.861 58.200 0.016 0.000 1.054 165 S CB 0.621 63.827 63.200 0.011 0.000 0.899 165 S HN 0.128 8.446 8.310 0.012 0.000 0.497 166 R N 4.852 125.368 120.500 0.027 0.000 4.480 166 R HA 0.266 4.630 4.340 0.039 0.000 0.131 166 R C 0.588 176.903 176.300 0.025 0.000 1.015 166 R CA -0.547 55.575 56.100 0.038 0.000 0.941 166 R CB 0.828 31.166 30.300 0.064 0.000 1.426 166 R HN 0.265 8.548 8.270 0.022 0.000 0.435 167 G N 0.976 109.782 108.800 0.010 0.000 2.392 167 G HA2 -0.231 3.713 3.960 -0.027 0.000 0.215 167 G HA3 -0.231 3.722 3.960 -0.012 0.000 0.215 167 G C -1.913 172.956 174.900 -0.052 0.000 1.097 167 G CA 0.092 45.181 45.100 -0.018 0.000 0.840 167 G HN 0.184 8.483 8.290 0.016 0.000 0.492 168 V N -1.959 117.902 119.914 -0.089 0.000 3.007 168 V HA 0.666 4.725 4.120 -0.236 -0.081 0.311 168 V C -1.796 174.011 176.094 -0.478 0.000 1.120 168 V CA -2.566 59.592 62.300 -0.237 0.000 0.980 168 V CB 3.534 35.289 31.823 -0.114 0.000 1.033 168 V HN -0.872 7.285 8.190 -0.055 0.000 0.429 169 G N 0.804 109.183 108.800 -0.701 0.000 2.537 169 G HA2 0.891 4.644 3.960 -0.561 0.000 0.308 169 G HA3 0.891 4.578 3.960 -0.454 0.000 0.308 169 G C -3.015 171.199 174.900 -1.143 0.000 1.237 169 G CA -1.776 42.886 45.100 -0.730 0.000 0.968 169 G HN 1.079 8.866 8.290 -0.635 0.122 0.481 170 F N -3.376 116.470 119.950 -0.173 0.000 2.613 170 F HA 0.842 5.368 4.527 -0.238 -0.141 0.310 170 F C -1.317 174.261 175.800 -0.369 0.000 1.085 170 F CA -1.996 55.876 58.000 -0.214 0.000 0.945 170 F CB 5.030 43.983 39.000 -0.079 0.000 1.298 170 F HN 1.193 9.233 8.300 -0.229 0.122 0.455 171 I N -0.034 120.351 120.570 -0.309 0.000 2.563 171 I HA 0.246 4.132 4.170 -0.472 0.000 0.276 171 I C -1.351 174.494 176.117 -0.454 0.000 1.074 171 I CA -1.020 59.922 61.300 -0.596 0.000 1.124 171 I CB 0.177 37.414 38.000 -1.271 0.000 1.225 171 I HN 0.621 8.596 8.210 -0.188 0.122 0.482 172 R N 5.104 125.466 120.500 -0.231 0.000 2.351 172 R HA 0.207 4.733 4.340 -0.002 -0.187 0.321 172 R C -0.334 175.927 176.300 -0.065 0.000 1.182 172 R CA -0.317 55.739 56.100 -0.074 0.000 1.011 172 R CB -0.459 29.846 30.300 0.009 0.000 1.048 172 R HN 0.817 8.884 8.270 -0.175 0.097 0.490 173 F N 3.777 123.775 119.950 0.080 0.000 2.390 173 F HA -0.144 4.536 4.527 0.093 -0.097 0.307 173 F C 0.251 176.111 175.800 0.099 0.000 1.227 173 F CA 0.902 58.960 58.000 0.097 0.000 1.179 173 F CB 1.066 40.135 39.000 0.116 0.000 1.280 173 F HN 0.115 8.518 8.300 0.172 0.000 0.548 174 D N -1.129 119.486 120.400 0.357 0.000 2.120 174 D HA -0.175 4.570 4.640 0.175 0.000 0.202 174 D C -0.151 176.255 176.300 0.177 0.000 0.972 174 D CA 3.039 57.164 54.000 0.209 0.000 0.837 174 D CB 1.137 42.036 40.800 0.166 0.000 0.989 174 D HN 0.064 8.706 8.370 0.454 0.000 0.469 175 K N -4.199 116.305 120.400 0.173 0.000 2.203 175 K HA 0.317 4.710 4.320 0.122 0.000 0.251 175 K C 0.772 177.483 176.600 0.186 0.000 0.944 175 K CA -1.316 55.051 56.287 0.133 0.000 0.829 175 K CB 2.145 34.689 32.500 0.074 0.000 1.125 175 K HN -0.223 8.136 8.250 0.181 0.000 0.430 176 R N 3.982 124.596 120.500 0.189 0.000 2.055 176 R HA -0.270 4.352 4.340 0.471 0.000 0.228 176 R C 1.546 178.051 176.300 0.342 0.000 1.143 176 R CA 3.436 59.716 56.100 0.300 0.000 0.945 176 R CB -0.347 30.028 30.300 0.125 0.000 0.841 176 R HN 0.582 8.933 8.270 0.134 0.000 0.429 177 I N -2.623 118.056 120.570 0.182 0.000 2.315 177 I HA -0.387 3.906 4.170 0.205 0.000 0.251 177 I C 1.733 177.911 176.117 0.102 0.000 1.125 177 I CA 3.148 64.539 61.300 0.152 0.000 1.392 177 I CB -1.602 36.443 38.000 0.076 0.000 1.065 177 I HN 0.071 8.354 8.210 0.121 0.000 0.424 178 E N -0.188 120.032 120.200 0.033 0.000 2.058 178 E HA -0.468 3.825 4.350 -0.094 0.000 0.194 178 E C 1.386 177.844 176.600 -0.236 0.000 0.997 178 E CA 3.944 60.273 56.400 -0.119 0.000 0.801 178 E CB -0.358 29.231 29.700 -0.185 0.000 0.746 178 E HN 0.105 8.477 8.360 0.061 0.024 0.450 179 A N -1.350 121.389 122.820 -0.136 0.000 1.898 179 A HA -0.231 3.915 4.320 -0.290 0.000 0.216 179 A C 1.981 179.467 177.584 -0.163 0.000 1.181 179 A CA 2.959 54.928 52.037 -0.114 0.000 0.620 179 A CB -0.876 18.223 19.000 0.165 0.000 0.819 179 A HN -0.290 7.791 8.150 0.041 0.093 0.442 180 E N -0.520 119.744 120.200 0.106 0.000 2.012 180 E HA -0.398 3.981 4.350 0.048 0.000 0.197 180 E C 2.096 178.741 176.600 0.075 0.000 1.007 180 E CA 3.432 59.957 56.400 0.209 0.000 0.816 180 E CB -0.068 29.928 29.700 0.493 0.000 0.762 180 E HN 0.188 8.585 8.360 0.367 0.183 0.451 181 E N -0.753 119.487 120.200 0.067 0.000 2.058 181 E HA -0.330 4.052 4.350 0.052 0.000 0.194 181 E C 2.348 178.966 176.600 0.029 0.000 0.997 181 E CA 2.557 58.981 56.400 0.041 0.000 0.801 181 E CB -0.446 29.270 29.700 0.028 0.000 0.746 181 E HN 0.060 8.367 8.360 0.086 0.104 0.450 182 A N -0.854 121.962 122.820 -0.006 0.000 1.883 182 A HA -0.247 4.208 4.320 0.226 0.000 0.217 182 A C 2.759 180.293 177.584 -0.084 0.000 1.186 182 A CA 2.871 54.924 52.037 0.025 0.000 0.624 182 A CB -0.694 18.257 19.000 -0.082 0.000 0.822 182 A HN -0.112 7.900 8.150 -0.054 0.106 0.444 183 I N -0.597 119.927 120.570 -0.076 0.000 2.145 183 I HA -0.690 3.430 4.170 -0.084 0.000 0.244 183 I C 2.012 178.086 176.117 -0.071 0.000 1.075 183 I CA 4.383 65.630 61.300 -0.088 0.000 1.332 183 I CB -0.229 37.695 38.000 -0.127 0.000 1.033 183 I HN 0.587 8.621 8.210 -0.080 0.128 0.410 184 K N -0.914 119.474 120.400 -0.020 0.000 2.160 184 K HA -0.315 4.007 4.320 0.005 0.000 0.206 184 K C 1.656 178.257 176.600 0.003 0.000 1.047 184 K CA 3.155 59.445 56.287 0.005 0.000 0.930 184 K CB -0.472 32.046 32.500 0.031 0.000 0.720 184 K HN -0.104 8.142 8.250 -0.006 0.000 0.450 185 G N -4.672 104.141 108.800 0.021 0.000 3.284 185 G HA2 0.168 4.169 3.960 0.070 0.000 0.236 185 G HA3 0.168 4.293 3.960 0.275 0.000 0.236 185 G C -1.085 173.770 174.900 -0.075 0.000 1.158 185 G CA 0.275 45.432 45.100 0.096 0.000 0.774 185 G HN -0.133 8.035 8.290 0.021 0.135 0.545 186 L N -0.871 120.183 121.223 -0.281 0.000 2.713 186 L HA 0.082 4.128 4.340 -0.490 0.000 0.223 186 L C -1.237 175.494 176.870 -0.231 0.000 1.040 186 L CA -0.215 54.343 54.840 -0.471 0.000 0.894 186 L CB 2.277 43.824 42.059 -0.854 0.000 1.361 186 L HN -0.099 7.800 8.230 -0.191 0.216 0.490 187 N N -0.305 118.311 118.700 -0.139 0.000 2.181 187 N HA -0.266 4.432 4.740 -0.070 0.000 0.251 187 N C 0.723 176.193 175.510 -0.067 0.000 1.234 187 N CA 0.813 53.817 53.050 -0.077 0.000 0.835 187 N CB 0.187 38.649 38.487 -0.042 0.000 1.082 187 N HN 0.104 8.263 8.380 -0.139 0.137 0.460 188 G N -0.983 107.782 108.800 -0.058 0.000 3.161 188 G HA2 0.108 4.040 3.960 -0.047 0.000 0.293 188 G HA3 0.108 4.017 3.960 -0.052 0.019 0.293 188 G C -1.502 173.381 174.900 -0.028 0.000 0.893 188 G CA -0.865 44.207 45.100 -0.047 0.000 1.756 188 G HN 0.062 8.315 8.290 -0.063 0.000 0.549 189 Q N 1.489 121.277 119.800 -0.021 0.000 2.431 189 Q HA -0.027 4.312 4.340 -0.003 0.000 0.234 189 Q C -0.226 175.771 176.000 -0.006 0.000 1.203 189 Q CA -0.612 55.187 55.803 -0.008 0.000 0.902 189 Q CB -1.138 27.598 28.738 -0.003 0.000 1.455 189 Q HN -0.501 7.712 8.270 -0.026 0.042 0.515 190 K N 5.784 126.182 120.400 -0.003 0.000 2.297 190 K HA 0.201 4.518 4.320 -0.005 0.000 0.286 190 K C -1.527 175.075 176.600 0.002 0.000 1.053 190 K CA -2.014 54.272 56.287 -0.002 0.000 0.940 190 K CB -0.440 32.060 32.500 -0.001 0.000 1.019 190 K HN -0.167 8.082 8.250 -0.002 0.000 0.475 191 P HA 0.068 4.491 4.420 0.005 0.000 0.282 191 P C 0.308 177.611 177.300 0.004 0.000 1.287 191 P CA -1.374 61.728 63.100 0.004 0.000 0.792 191 P CB 0.894 32.596 31.700 0.002 0.000 1.163 192 L N -1.263 119.963 121.223 0.005 0.000 2.089 192 L HA -0.229 4.115 4.340 0.006 0.000 0.213 192 L C 1.724 178.596 176.870 0.004 0.000 1.079 192 L CA 2.500 57.344 54.840 0.005 0.000 0.758 192 L CB -1.045 41.017 42.059 0.005 0.000 0.891 192 L HN 0.139 8.372 8.230 0.005 0.000 0.433 193 G N -2.248 106.554 108.800 0.003 0.000 3.474 193 G HA2 -0.037 3.925 3.960 0.002 0.000 0.269 193 G HA3 -0.037 3.924 3.960 0.001 0.000 0.269 193 G C -1.628 173.273 174.900 0.001 0.000 1.339 193 G CA -0.222 44.879 45.100 0.002 0.000 1.258 193 G HN 0.055 8.329 8.290 0.003 0.017 0.560 194 A N -1.595 121.226 122.820 0.002 0.000 2.566 194 A HA 0.350 4.670 4.320 -0.001 0.000 0.292 194 A C -1.648 175.937 177.584 0.002 0.000 1.112 194 A CA -0.568 51.469 52.037 0.001 0.000 0.707 194 A CB 1.844 20.843 19.000 -0.001 0.000 1.302 194 A HN -0.586 7.459 8.150 0.003 0.107 0.409 195 A N -1.207 121.614 122.820 0.001 0.000 2.050 195 A HA 0.131 4.455 4.320 0.006 0.000 0.214 195 A C -1.676 175.911 177.584 0.005 0.000 1.577 195 A CA 0.816 52.855 52.037 0.004 0.000 0.752 195 A CB 1.204 20.205 19.000 0.003 0.000 1.220 195 A HN 0.128 8.278 8.150 -0.001 0.000 0.543 196 E N -1.486 118.715 120.200 0.000 0.000 2.499 196 E HA 0.446 4.796 4.350 0.000 0.000 0.327 196 E C -2.653 173.938 176.600 -0.015 0.000 0.929 196 E CA -2.947 53.452 56.400 -0.002 0.000 0.788 196 E CB 0.973 30.676 29.700 0.006 0.000 1.452 196 E HN 0.048 8.406 8.360 -0.003 0.000 0.387 197 P HA 0.337 4.739 4.420 -0.030 0.000 0.336 197 P C -0.562 176.706 177.300 -0.055 0.000 1.288 197 P CA -1.181 61.900 63.100 -0.033 0.000 0.766 197 P CB 1.886 33.569 31.700 -0.028 0.000 1.461 198 I N -4.451 116.083 120.570 -0.060 0.000 2.906 198 I HA 0.009 4.284 4.170 -0.099 -0.165 0.312 198 I C -0.364 175.693 176.117 -0.100 0.000 1.169 198 I CA 0.068 61.319 61.300 -0.081 0.000 2.267 198 I CB -2.428 35.535 38.000 -0.062 0.000 1.624 198 I HN 0.040 8.221 8.210 -0.049 0.000 1.067 199 T N 7.841 122.315 114.554 -0.133 0.000 2.978 199 T HA -0.077 4.296 4.350 -0.093 -0.080 0.278 199 T C -1.604 172.940 174.700 -0.259 0.000 0.945 199 T CA 1.473 63.485 62.100 -0.146 0.000 1.070 199 T CB -0.419 68.386 68.868 -0.105 0.000 0.948 199 T HN 0.429 8.544 8.240 -0.134 0.045 0.617 200 V N 8.578 128.398 119.914 -0.155 0.000 2.350 200 V HA 0.693 4.776 4.120 -0.305 -0.146 0.276 200 V C -1.918 174.129 176.094 -0.078 0.000 1.028 200 V CA -1.888 60.329 62.300 -0.138 0.000 0.860 200 V CB 1.651 33.534 31.823 0.101 0.000 0.990 200 V HN -0.029 8.103 8.190 -0.096 0.000 0.453 201 K N 7.300 127.662 120.400 -0.064 0.000 2.466 201 K HA 0.287 4.557 4.320 -0.082 0.000 0.277 201 K C -1.745 174.907 176.600 0.086 0.000 1.039 201 K CA -2.332 53.964 56.287 0.015 0.000 0.904 201 K CB 4.116 36.695 32.500 0.132 0.000 1.506 201 K HN 1.011 9.066 8.250 -0.126 0.119 0.441 202 F N -1.370 118.690 119.950 0.183 0.000 2.535 202 F HA -0.049 4.713 4.527 0.180 -0.127 0.332 202 F C 1.009 176.928 175.800 0.198 0.000 1.208 202 F CA 1.626 59.730 58.000 0.174 0.000 1.330 202 F CB 0.689 39.764 39.000 0.125 0.000 1.167 202 F HN 0.198 8.613 8.300 0.190 0.000 0.597 203 A N 0.830 123.882 122.820 0.387 0.000 2.729 203 A HA -0.260 4.202 4.320 0.237 0.000 0.291 203 A C -0.187 177.481 177.584 0.139 0.000 1.574 203 A CA 0.650 52.817 52.037 0.218 0.000 1.194 203 A CB -1.276 17.796 19.000 0.121 0.000 1.047 203 A HN 0.242 8.659 8.150 0.445 0.000 0.578 204 N N 4.667 123.440 118.700 0.122 0.000 3.193 204 N HA -0.149 4.641 4.740 0.084 0.000 0.312 204 N C -1.345 174.148 175.510 -0.029 0.000 1.261 204 N CA -0.041 53.046 53.050 0.061 0.000 1.208 204 N CB -0.394 38.147 38.487 0.090 0.000 1.471 204 N HN -0.024 8.447 8.380 0.168 0.010 0.548 205 N N 2.576 121.262 118.700 -0.023 0.000 2.485 205 N HA 0.266 4.963 4.740 -0.071 0.000 0.243 205 N C -2.157 173.336 175.510 -0.030 0.000 0.987 205 N CA -2.651 50.370 53.050 -0.048 0.000 0.940 205 N CB 1.178 39.631 38.487 -0.057 0.000 1.122 205 N HN -0.293 8.022 8.380 0.005 0.068 0.509 206 P HA 0.187 4.599 4.420 -0.013 0.000 0.271 206 P C -0.735 176.552 177.300 -0.022 0.000 1.380 206 P CA -0.072 63.016 63.100 -0.019 0.000 0.992 206 P CB -0.074 31.616 31.700 -0.016 0.000 1.230 207 S N 3.481 119.168 115.700 -0.022 0.000 2.362 207 S HA -0.268 4.186 4.470 -0.027 0.000 0.221 207 S C 0.251 174.839 174.600 -0.019 0.000 1.032 207 S CA 0.893 59.079 58.200 -0.024 0.000 0.973 207 S CB 0.543 63.727 63.200 -0.026 0.000 0.849 207 S HN 0.477 8.775 8.310 -0.020 0.000 0.465 208 Q N 0.000 119.790 119.800 -0.016 0.000 2.315 208 Q HA 0.000 4.332 4.340 -0.013 0.000 0.214 208 Q CA 0.000 55.795 55.803 -0.013 0.000 1.022 208 Q CB 0.000 28.730 28.738 -0.013 0.000 1.108 208 Q HN 0.000 8.261 8.270 -0.016 0.000 0.481