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 1gnc_1_A DATA FIRST_RESID 1 DATA SEQUENCE MTPLGPASSL PQSFLLKCLE QVRKIQGDGA ALQEKLcATY KLcHPEELVL DATA SEQUENCE LGHSLGIPWA PLSScPSQAL QLAGcLSQLH SGLFLYQGLL QALEGISPEL DATA SEQUENCE GPTLDTLQLD VADFATTIWQ QMEELGMAPA LQPTQGAMPA FASAFQRRAG DATA SEQUENCE GVLVASHLQS FLEVSYRVLR HLAQP 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 M HA 0.000 4.478 4.480 -0.004 0.000 0.227 1 M C 0.000 176.298 176.300 -0.004 0.000 1.140 1 M CA 0.000 55.298 55.300 -0.003 0.000 0.988 1 M CB 0.000 32.598 32.600 -0.003 0.000 1.302 2 T N 2.029 116.581 114.554 -0.004 0.000 3.798 2 T HA 0.274 4.622 4.350 -0.005 0.000 0.339 2 T C -2.583 172.115 174.700 -0.003 0.000 0.967 2 T CA -0.856 61.241 62.100 -0.004 0.000 1.046 2 T CB 0.410 69.275 68.868 -0.005 0.000 1.092 2 T HN -0.428 7.810 8.240 -0.003 0.000 0.465 3 P HA 0.005 4.425 4.420 0.000 0.000 0.270 3 P C -0.704 176.596 177.300 -0.001 0.000 1.227 3 P CA -0.899 62.200 63.100 -0.000 0.000 0.788 3 P CB 0.748 32.448 31.700 0.001 0.000 0.926 4 L N 0.462 121.686 121.223 0.001 0.000 2.456 4 L HA -0.076 4.264 4.340 -0.000 0.000 0.277 4 L C 0.345 177.216 176.870 0.001 0.000 1.124 4 L CA 0.584 55.425 54.840 0.001 0.000 0.880 4 L CB -0.802 41.258 42.059 0.002 0.000 1.192 4 L HN 0.063 8.294 8.230 0.002 0.000 0.463 5 G N 6.324 115.124 108.800 -0.000 0.000 4.106 5 G HA2 0.200 4.161 3.960 0.002 0.000 0.344 5 G HA3 0.200 4.158 3.960 -0.003 0.000 0.344 5 G C -1.965 172.934 174.900 -0.001 0.000 1.477 5 G CA -0.516 44.584 45.100 -0.001 0.000 1.068 5 G HN 0.154 8.443 8.290 -0.002 0.000 0.488 6 P HA 0.005 4.424 4.420 -0.001 0.000 0.271 6 P C -1.210 176.090 177.300 -0.000 0.000 1.233 6 P CA -0.781 62.319 63.100 0.000 0.000 0.789 6 P CB 1.288 32.990 31.700 0.002 0.000 0.951 7 A N 2.402 125.221 122.820 -0.001 0.000 2.664 7 A HA 0.276 4.595 4.320 -0.002 0.000 0.338 7 A C -0.971 176.612 177.584 -0.002 0.000 1.280 7 A CA -0.275 51.761 52.037 -0.003 0.000 0.809 7 A CB 0.659 19.656 19.000 -0.005 0.000 1.114 7 A HN 0.073 8.222 8.150 -0.002 0.000 0.479 8 S N 2.873 118.573 115.700 0.001 0.000 2.413 8 S HA 0.044 4.514 4.470 -0.001 0.000 0.170 8 S C -0.021 174.581 174.600 0.003 0.000 1.294 8 S CA -0.207 57.994 58.200 0.001 0.000 1.201 8 S CB 0.819 64.020 63.200 0.001 0.000 1.328 8 S HN 0.058 8.369 8.310 0.002 0.000 0.418 9 S N 0.311 116.012 115.700 0.002 0.000 3.549 9 S HA -0.265 4.206 4.470 0.002 0.000 0.366 9 S C 0.014 174.620 174.600 0.010 0.000 1.012 9 S CA 0.910 59.113 58.200 0.004 0.000 1.141 9 S CB -0.169 63.032 63.200 0.002 0.000 0.910 9 S HN 0.331 8.641 8.310 -0.001 0.000 0.471 10 L N -0.801 120.429 121.223 0.012 0.000 2.007 10 L HA -0.043 4.311 4.340 0.023 0.000 0.205 10 L C -1.745 175.146 176.870 0.035 0.000 1.073 10 L CA 2.268 57.121 54.840 0.022 0.000 0.744 10 L CB -0.407 41.663 42.059 0.019 0.000 0.898 10 L HN -0.320 7.900 8.230 0.008 0.015 0.435 11 P HA -0.050 4.408 4.420 0.063 0.000 0.264 11 P C -1.255 176.070 177.300 0.042 0.000 1.229 11 P CA 0.699 63.821 63.100 0.037 0.000 0.780 11 P CB -0.377 31.327 31.700 0.006 0.000 0.808 12 Q N 2.775 122.617 119.800 0.071 0.000 1.969 12 Q HA -0.077 4.289 4.340 0.043 0.000 0.151 12 Q C 1.300 177.341 176.000 0.069 0.000 0.644 12 Q CA 1.763 57.598 55.803 0.053 0.000 0.899 12 Q CB 0.836 29.592 28.738 0.029 0.000 1.097 12 Q HN 0.045 8.380 8.270 0.108 0.000 0.292 13 S N 1.557 117.295 115.700 0.063 0.000 2.387 13 S HA -0.297 4.180 4.470 0.012 0.000 0.230 13 S C 1.506 176.126 174.600 0.032 0.000 1.035 13 S CA 3.847 62.064 58.200 0.028 0.000 1.014 13 S CB -0.093 63.109 63.200 0.003 0.000 0.836 13 S HN 0.286 8.632 8.310 0.060 0.000 0.466 14 F N 0.535 120.482 119.950 -0.005 0.000 2.134 14 F HA -0.252 4.274 4.527 -0.001 0.000 0.299 14 F C 1.409 177.205 175.800 -0.007 0.000 1.097 14 F CA 3.561 61.559 58.000 -0.005 0.000 1.264 14 F CB 0.034 39.030 39.000 -0.007 0.000 1.001 14 F HN 0.134 8.571 8.300 0.247 0.011 0.479 15 L N -1.686 119.667 121.223 0.217 0.000 2.131 15 L HA -0.392 4.022 4.340 0.124 0.000 0.210 15 L C 1.947 178.856 176.870 0.065 0.000 1.092 15 L CA 2.903 57.811 54.840 0.113 0.000 0.759 15 L CB -0.422 41.671 42.059 0.057 0.000 0.903 15 L HN -0.849 7.400 8.230 0.201 0.102 0.435 16 L N -0.753 120.499 121.223 0.048 0.000 2.056 16 L HA -0.419 3.934 4.340 0.022 0.000 0.207 16 L C 1.730 178.613 176.870 0.020 0.000 1.078 16 L CA 3.487 58.341 54.840 0.024 0.000 0.749 16 L CB -0.285 41.781 42.059 0.011 0.000 0.901 16 L HN -0.027 8.105 8.230 0.057 0.133 0.433 17 K N -0.719 119.676 120.400 -0.008 0.000 2.026 17 K HA -0.285 4.134 4.320 -0.031 -0.117 0.208 17 K C 2.549 179.167 176.600 0.030 0.000 1.048 17 K CA 3.448 59.715 56.287 -0.034 0.000 0.929 17 K CB -0.202 32.199 32.500 -0.165 0.000 0.713 17 K HN -0.292 7.865 8.250 -0.020 0.081 0.439 18 C N -1.176 118.171 119.300 0.078 0.000 2.413 18 C HA -0.328 4.192 4.460 0.101 0.000 0.276 18 C C 1.781 176.820 174.990 0.082 0.000 1.248 18 C CA 4.928 64.004 59.018 0.097 0.000 1.742 18 C CB -0.825 26.983 27.740 0.113 0.000 2.017 18 C HN -0.205 8.088 8.230 0.104 0.000 0.481 19 L N -0.222 121.036 121.223 0.059 0.000 2.042 19 L HA -0.460 3.887 4.340 0.013 0.000 0.210 19 L C 1.650 178.624 176.870 0.174 0.000 1.076 19 L CA 3.792 58.663 54.840 0.052 0.000 0.749 19 L CB -0.081 41.968 42.059 -0.017 0.000 0.893 19 L HN -0.189 8.070 8.230 0.049 0.000 0.432 20 E N -1.260 119.017 120.200 0.127 0.000 2.077 20 E HA -0.404 4.037 4.350 0.152 0.000 0.193 20 E C 2.604 179.269 176.600 0.108 0.000 0.989 20 E CA 3.695 60.166 56.400 0.119 0.000 0.800 20 E CB -0.347 29.389 29.700 0.061 0.000 0.746 20 E HN -0.324 8.008 8.360 0.086 0.080 0.452 21 Q N -1.154 118.703 119.800 0.094 0.000 2.084 21 Q HA -0.292 4.086 4.340 0.063 0.000 0.202 21 Q C 2.688 178.754 176.000 0.110 0.000 0.978 21 Q CA 3.383 59.236 55.803 0.084 0.000 0.844 21 Q CB 0.034 28.819 28.738 0.079 0.000 0.898 21 Q HN -0.298 7.932 8.270 0.086 0.091 0.426 22 V N -0.577 119.432 119.914 0.158 0.000 2.515 22 V HA -0.380 3.835 4.120 0.157 0.000 0.250 22 V C 2.007 178.225 176.094 0.207 0.000 1.058 22 V CA 3.550 65.969 62.300 0.199 0.000 1.064 22 V CB -0.909 31.067 31.823 0.254 0.000 0.675 22 V HN -0.087 8.199 8.190 0.159 0.000 0.461 23 R N 0.101 120.740 120.500 0.231 0.000 2.066 23 R HA -0.315 3.972 4.340 -0.088 0.000 0.232 23 R C 2.238 178.533 176.300 -0.009 0.000 1.131 23 R CA 3.771 59.898 56.100 0.044 0.000 0.955 23 R CB -0.247 30.068 30.300 0.025 0.000 0.851 23 R HN -0.195 8.113 8.270 0.268 0.123 0.432 24 K N -0.749 119.665 120.400 0.023 0.000 2.057 24 K HA -0.260 4.052 4.320 -0.014 0.000 0.206 24 K C 2.468 179.072 176.600 0.006 0.000 1.050 24 K CA 3.757 60.047 56.287 0.005 0.000 0.935 24 K CB -0.121 32.388 32.500 0.015 0.000 0.715 24 K HN -0.324 7.958 8.250 0.053 0.000 0.439 25 I N -1.169 119.417 120.570 0.027 0.000 2.394 25 I HA -0.324 3.855 4.170 0.015 0.000 0.251 25 I C 2.017 178.140 176.117 0.009 0.000 1.136 25 I CA 2.308 63.622 61.300 0.023 0.000 1.425 25 I CB -1.230 36.797 38.000 0.044 0.000 1.079 25 I HN -0.106 8.131 8.210 0.046 0.000 0.425 26 Q N 0.462 120.267 119.800 0.008 0.000 2.123 26 Q HA -0.227 4.102 4.340 -0.017 0.000 0.199 26 Q C 2.713 178.686 176.000 -0.044 0.000 0.966 26 Q CA 3.625 59.418 55.803 -0.018 0.000 0.845 26 Q CB 0.039 28.766 28.738 -0.018 0.000 0.907 26 Q HN -0.072 8.194 8.270 0.025 0.019 0.439 27 G N -0.866 107.904 108.800 -0.050 0.000 2.402 27 G HA2 -0.367 3.553 3.960 -0.067 0.000 0.216 27 G HA3 -0.367 3.559 3.960 -0.057 0.000 0.216 27 G C 0.987 175.863 174.900 -0.039 0.000 1.162 27 G CA 1.970 47.037 45.100 -0.056 0.000 0.777 27 G HN -0.158 8.105 8.290 -0.045 0.000 0.539 28 D N 2.086 122.470 120.400 -0.027 0.000 2.117 28 D HA -0.210 4.417 4.640 -0.021 0.000 0.197 28 D C 2.620 178.905 176.300 -0.024 0.000 0.987 28 D CA 4.389 58.377 54.000 -0.020 0.000 0.829 28 D CB 0.059 40.852 40.800 -0.011 0.000 0.961 28 D HN -0.231 8.126 8.370 -0.023 0.000 0.460 29 G N -2.380 106.405 108.800 -0.026 0.000 2.471 29 G HA2 -0.193 3.749 3.960 -0.030 0.000 0.219 29 G HA3 -0.193 3.746 3.960 -0.034 0.000 0.219 29 G C 0.702 175.577 174.900 -0.042 0.000 1.125 29 G CA 1.545 46.626 45.100 -0.033 0.000 0.775 29 G HN -0.189 8.087 8.290 -0.023 0.000 0.548 30 A N 2.425 125.218 122.820 -0.045 0.000 1.854 30 A HA -0.284 4.003 4.320 -0.056 0.000 0.214 30 A C 1.346 178.905 177.584 -0.042 0.000 1.192 30 A CA 2.713 54.719 52.037 -0.051 0.000 0.611 30 A CB -0.540 18.426 19.000 -0.057 0.000 0.832 30 A HN -0.255 7.721 8.150 -0.043 0.148 0.442 31 A N -1.030 121.768 122.820 -0.036 0.000 1.930 31 A HA -0.223 4.080 4.320 -0.029 0.000 0.217 31 A C 1.825 179.395 177.584 -0.023 0.000 1.175 31 A CA 2.731 54.751 52.037 -0.028 0.000 0.627 31 A CB -0.380 18.605 19.000 -0.025 0.000 0.815 31 A HN -0.243 7.885 8.150 -0.037 0.000 0.443 32 L N -2.129 119.080 121.223 -0.024 0.000 2.156 32 L HA -0.292 4.040 4.340 -0.013 0.000 0.208 32 L C 1.740 178.595 176.870 -0.025 0.000 1.095 32 L CA 2.937 57.765 54.840 -0.020 0.000 0.770 32 L CB 0.069 42.117 42.059 -0.019 0.000 0.914 32 L HN -0.138 8.076 8.230 -0.026 0.000 0.439 33 Q N -0.766 119.013 119.800 -0.035 0.000 2.187 33 Q HA -0.309 4.001 4.340 -0.049 0.000 0.199 33 Q C 2.561 178.537 176.000 -0.040 0.000 0.957 33 Q CA 3.222 58.997 55.803 -0.046 0.000 0.857 33 Q CB -0.084 28.619 28.738 -0.060 0.000 0.929 33 Q HN -0.144 8.004 8.270 -0.037 0.099 0.453 34 E N -0.066 120.114 120.200 -0.034 0.000 2.076 34 E HA -0.260 4.072 4.350 -0.030 0.000 0.190 34 E C 2.245 178.840 176.600 -0.008 0.000 0.979 34 E CA 2.816 59.201 56.400 -0.025 0.000 0.807 34 E CB 0.026 29.709 29.700 -0.028 0.000 0.761 34 E HN -0.300 8.039 8.360 -0.035 0.000 0.454 35 K N -0.563 119.833 120.400 -0.006 0.000 2.057 35 K HA -0.237 4.089 4.320 0.009 0.000 0.206 35 K C 2.512 179.124 176.600 0.019 0.000 1.050 35 K CA 3.312 59.602 56.287 0.006 0.000 0.935 35 K CB 0.064 32.565 32.500 0.002 0.000 0.715 35 K HN -0.360 7.883 8.250 -0.013 0.000 0.439 36 L N -0.180 121.051 121.223 0.014 0.000 2.156 36 L HA -0.051 4.320 4.340 0.051 0.000 0.208 36 L C 2.053 178.956 176.870 0.055 0.000 1.095 36 L CA 2.732 57.591 54.840 0.032 0.000 0.770 36 L CB 0.101 42.162 42.059 0.003 0.000 0.914 36 L HN -0.254 7.975 8.230 -0.001 0.000 0.439 37 c N -0.849 117.764 118.600 0.020 0.000 2.432 37 c HA -0.404 4.172 4.570 0.009 0.000 0.277 37 c C 1.603 175.739 174.090 0.077 0.000 1.249 37 c CA 3.169 59.513 56.329 0.025 0.000 1.725 37 c CB -1.992 40.508 42.510 -0.016 0.000 2.028 37 c HN -0.168 7.859 8.230 -0.000 0.203 0.477 38 A N -1.232 121.623 122.820 0.058 0.000 1.898 38 A HA -0.127 4.293 4.320 0.068 -0.059 0.214 38 A C 2.318 179.939 177.584 0.063 0.000 1.183 38 A CA 3.209 55.284 52.037 0.063 0.000 0.622 38 A CB -0.269 18.762 19.000 0.052 0.000 0.824 38 A HN 0.032 8.206 8.150 0.039 0.000 0.444 39 T N -1.811 112.781 114.554 0.063 0.000 2.849 39 T HA -0.335 4.031 4.350 0.026 0.000 0.270 39 T C 0.665 175.403 174.700 0.064 0.000 1.066 39 T CA 2.891 65.021 62.100 0.051 0.000 1.130 39 T CB -0.005 68.892 68.868 0.050 0.000 0.864 39 T HN -0.346 7.928 8.240 0.058 0.000 0.481 40 Y N 1.200 121.491 120.300 -0.015 0.000 2.197 40 Y HA -0.113 4.429 4.550 -0.013 0.000 0.281 40 Y C 0.932 176.820 175.900 -0.021 0.000 1.099 40 Y CA 1.945 60.034 58.100 -0.018 0.000 1.092 40 Y CB 0.983 39.428 38.460 -0.026 0.000 1.028 40 Y HN -0.364 7.907 8.280 0.203 0.131 0.489 41 K N -2.732 117.825 120.400 0.261 0.000 2.118 41 K HA -0.039 4.281 4.320 0.001 0.000 0.214 41 K C 0.132 176.750 176.600 0.029 0.000 1.023 41 K CA 2.236 58.588 56.287 0.107 0.000 0.948 41 K CB 1.343 33.934 32.500 0.152 0.000 0.851 41 K HN -0.294 8.184 8.250 0.380 0.000 0.455 42 L N -9.622 111.629 121.223 0.045 0.000 2.203 42 L HA 0.199 4.650 4.340 0.027 -0.095 0.254 42 L C -0.896 176.028 176.870 0.090 0.000 1.162 42 L CA 0.557 55.413 54.840 0.027 0.000 1.407 42 L CB 0.586 42.601 42.059 -0.074 0.000 2.645 42 L HN -0.487 7.786 8.230 0.071 0.000 0.525 43 c N -0.265 118.380 118.600 0.075 0.000 4.454 43 c HA -0.320 4.269 4.570 0.033 0.000 0.298 43 c C -0.752 173.418 174.090 0.134 0.000 1.384 43 c CA 0.275 56.645 56.329 0.069 0.000 2.002 43 c CB -3.049 39.486 42.510 0.042 0.000 1.249 43 c HN 0.067 8.327 8.230 0.050 0.000 0.783 44 H N -0.206 118.859 119.070 -0.009 0.000 2.660 44 H HA 0.157 4.710 4.556 -0.004 0.000 0.374 44 H C -1.352 173.971 175.328 -0.008 0.000 1.291 44 H CA -0.613 55.433 56.048 -0.004 0.000 1.437 44 H CB 1.008 30.773 29.762 0.005 0.000 1.509 44 H HN -0.102 8.306 8.280 0.214 0.000 0.614 45 P HA -0.032 4.377 4.420 -0.018 0.000 0.293 45 P C -1.224 176.101 177.300 0.041 0.000 1.285 45 P CA -0.344 62.751 63.100 -0.008 0.000 0.775 45 P CB 0.373 32.046 31.700 -0.046 0.000 1.351 46 E N -0.372 119.852 120.200 0.040 0.000 2.480 46 E HA -0.314 4.076 4.350 0.067 0.000 0.258 46 E C -0.139 176.504 176.600 0.071 0.000 0.984 46 E CA 1.862 58.299 56.400 0.063 0.000 0.930 46 E CB -0.145 29.596 29.700 0.068 0.000 0.936 46 E HN 0.101 8.477 8.360 0.027 0.000 0.466 47 E N 3.902 124.146 120.200 0.074 0.000 1.966 47 E HA 0.000 4.392 4.350 0.070 0.000 0.264 47 E C 1.096 177.733 176.600 0.063 0.000 1.066 47 E CA 0.344 56.787 56.400 0.073 0.000 1.866 47 E CB 0.428 30.180 29.700 0.087 0.000 3.448 47 E HN 0.197 8.601 8.360 0.073 0.000 1.014 48 L N 1.238 122.491 121.223 0.050 0.000 2.418 48 L HA -0.028 4.334 4.340 0.036 0.000 0.218 48 L C 1.241 178.127 176.870 0.026 0.000 1.125 48 L CA 1.579 56.436 54.840 0.028 0.000 0.835 48 L CB 0.484 42.540 42.059 -0.004 0.000 0.953 48 L HN 0.345 8.606 8.230 0.052 0.000 0.454 49 V N -1.412 118.529 119.914 0.045 0.000 2.546 49 V HA -0.469 3.654 4.120 0.006 0.000 0.254 49 V C 1.367 177.496 176.094 0.057 0.000 1.076 49 V CA 3.359 65.684 62.300 0.042 0.000 1.087 49 V CB -0.745 31.153 31.823 0.124 0.000 0.674 49 V HN -0.089 8.092 8.190 0.055 0.042 0.470 50 L N 0.003 121.283 121.223 0.095 0.000 1.973 50 L HA -0.360 4.081 4.340 0.168 0.000 0.208 50 L C 1.693 178.607 176.870 0.073 0.000 1.073 50 L CA 3.780 58.686 54.840 0.109 0.000 0.746 50 L CB -0.270 41.837 42.059 0.080 0.000 0.891 50 L HN -0.842 7.395 8.230 0.082 0.043 0.433 51 L N -3.482 117.767 121.223 0.043 0.000 2.191 51 L HA -0.347 4.011 4.340 0.030 0.000 0.212 51 L C 2.523 179.392 176.870 -0.002 0.000 1.103 51 L CA 2.557 57.411 54.840 0.023 0.000 0.769 51 L CB -0.732 41.341 42.059 0.023 0.000 0.908 51 L HN -0.503 7.753 8.230 0.045 0.000 0.438 52 G N -2.281 106.511 108.800 -0.013 0.000 2.464 52 G HA2 -0.283 3.667 3.960 -0.018 0.000 0.217 52 G HA3 -0.283 3.689 3.960 0.019 0.000 0.217 52 G C 0.616 175.475 174.900 -0.067 0.000 1.138 52 G CA 1.902 46.997 45.100 -0.009 0.000 0.793 52 G HN 0.169 8.337 8.290 -0.004 0.120 0.539 53 H N 1.716 120.749 119.070 -0.063 0.000 2.415 53 H HA -0.045 4.164 4.556 -0.577 0.000 0.297 53 H C 2.800 177.993 175.328 -0.226 0.000 1.048 53 H CA 2.236 58.120 56.048 -0.273 0.000 1.365 53 H CB 0.422 30.073 29.762 -0.186 0.000 1.421 53 H HN -0.183 7.966 8.280 0.008 0.136 0.533 54 S N 0.282 115.993 115.700 0.019 0.000 2.345 54 S HA -0.240 4.212 4.470 -0.030 0.000 0.219 54 S C 1.729 176.327 174.600 -0.002 0.000 1.031 54 S CA 3.503 61.699 58.200 -0.007 0.000 0.984 54 S CB 0.122 63.328 63.200 0.010 0.000 0.874 54 S HN -0.222 8.118 8.310 0.049 0.000 0.451 55 L N -1.090 120.143 121.223 0.018 0.000 2.179 55 L HA -0.053 4.325 4.340 0.062 0.000 0.208 55 L C 1.143 178.107 176.870 0.157 0.000 1.096 55 L CA 1.276 56.153 54.840 0.062 0.000 0.779 55 L CB -0.599 41.473 42.059 0.023 0.000 0.922 55 L HN -0.366 7.871 8.230 0.012 0.000 0.443 56 G N -4.526 104.352 108.800 0.129 0.000 2.623 56 G HA2 -0.119 4.229 3.960 0.647 0.000 0.214 56 G HA3 -0.119 4.148 3.960 0.292 -0.132 0.214 56 G C -0.741 174.129 174.900 -0.051 0.000 1.138 56 G CA -0.263 44.998 45.100 0.269 0.000 0.794 56 G HN -0.442 7.761 8.290 0.036 0.109 0.535 57 I N -2.857 117.615 120.570 -0.163 0.000 8.905 57 I HA -0.350 3.740 4.170 -0.171 -0.023 0.126 57 I C -2.234 173.603 176.117 -0.467 0.000 1.862 57 I CA -1.472 59.700 61.300 -0.214 0.000 2.041 57 I CB -1.767 36.170 38.000 -0.105 0.000 3.915 57 I HN -0.580 7.341 8.210 -0.112 0.222 0.170 58 P HA -0.028 3.894 4.420 -0.831 0.000 0.264 58 P C -0.903 176.151 177.300 -0.410 0.000 1.183 58 P CA -0.118 62.648 63.100 -0.556 0.000 0.763 58 P CB 0.467 31.965 31.700 -0.337 0.000 0.807 59 W N 1.903 123.181 121.300 -0.037 0.000 3.075 59 W HA 0.265 4.849 4.660 -0.126 0.000 0.334 59 W C -1.187 175.281 176.519 -0.085 0.000 1.288 59 W CA -2.546 54.734 57.345 -0.110 0.000 1.095 59 W CB -0.165 29.182 29.460 -0.187 0.000 1.564 59 W HN -0.331 7.217 8.180 -1.053 0.000 0.629 60 A N 1.412 124.349 122.820 0.196 0.000 2.507 60 A HA -0.012 4.377 4.320 0.115 0.000 0.235 60 A C -1.274 176.453 177.584 0.238 0.000 1.070 60 A CA -0.582 51.541 52.037 0.144 0.000 0.768 60 A CB -1.068 17.968 19.000 0.060 0.000 1.011 60 A HN 0.066 8.277 8.150 0.102 0.000 0.502 61 P HA -0.001 4.546 4.420 0.210 0.000 0.306 61 P C -0.680 176.822 177.300 0.336 0.000 1.301 61 P CA -0.568 62.670 63.100 0.230 0.000 0.744 61 P CB 0.613 32.414 31.700 0.168 0.000 1.400 62 L N -4.759 116.628 121.223 0.274 0.000 2.095 62 L HA -0.106 4.477 4.340 0.406 0.000 0.204 62 L C 0.147 177.124 176.870 0.178 0.000 1.080 62 L CA 1.869 56.872 54.840 0.272 0.000 0.759 62 L CB -0.006 42.128 42.059 0.125 0.000 0.914 62 L HN -0.018 8.331 8.230 0.197 0.000 0.439 63 S N -4.663 111.124 115.700 0.145 0.000 2.718 63 S HA 0.173 4.578 4.470 -0.108 0.000 0.300 63 S C -0.391 174.341 174.600 0.221 0.000 1.117 63 S CA -0.893 57.349 58.200 0.070 0.000 1.002 63 S CB 1.374 64.587 63.200 0.022 0.000 1.092 63 S HN -0.626 7.775 8.310 0.151 0.000 0.542 64 S N -0.023 115.792 115.700 0.192 0.000 2.431 64 S HA 0.077 4.824 4.470 0.252 -0.126 0.210 64 S C -0.541 174.141 174.600 0.138 0.000 1.013 64 S CA 0.849 59.178 58.200 0.216 0.000 0.920 64 S CB 0.323 63.667 63.200 0.239 0.000 0.882 64 S HN 0.225 8.603 8.310 0.113 0.000 0.567 65 c N 2.644 121.309 118.600 0.108 0.000 2.401 65 c HA 0.233 4.851 4.570 0.081 0.000 0.365 65 c C -0.400 173.729 174.090 0.065 0.000 1.250 65 c CA -2.648 53.730 56.329 0.081 0.000 2.131 65 c CB -1.185 41.368 42.510 0.073 0.000 2.445 65 c HN -0.100 8.194 8.230 0.107 0.000 0.550 66 P HA -0.075 4.373 4.420 0.047 0.000 0.205 66 P C -0.511 176.814 177.300 0.042 0.000 1.203 66 P CA 1.499 64.627 63.100 0.047 0.000 0.926 66 P CB 0.505 32.230 31.700 0.042 0.000 0.767 67 S N -1.684 114.040 115.700 0.040 0.000 2.582 67 S HA 0.041 4.536 4.470 0.041 0.000 0.234 67 S C -1.167 173.460 174.600 0.044 0.000 0.961 67 S CA 0.522 58.746 58.200 0.040 0.000 0.953 67 S CB 0.100 63.321 63.200 0.035 0.000 0.800 67 S HN -0.241 8.092 8.310 0.039 0.000 0.471 68 Q N -3.644 116.185 119.800 0.047 0.000 2.452 68 Q HA -0.421 3.950 4.340 0.052 0.000 0.318 68 Q C -1.406 174.617 176.000 0.039 0.000 1.386 68 Q CA 1.418 57.250 55.803 0.048 0.000 0.872 68 Q CB -2.452 26.317 28.738 0.052 0.000 1.151 68 Q HN 0.118 8.336 8.270 0.048 0.081 0.417 69 A N -2.140 120.702 122.820 0.037 0.000 3.024 69 A HA 0.103 4.439 4.320 0.027 0.000 0.251 69 A C -1.945 175.656 177.584 0.028 0.000 1.267 69 A CA 0.553 52.607 52.037 0.029 0.000 1.050 69 A CB 0.701 19.716 19.000 0.026 0.000 1.400 69 A HN 0.168 8.342 8.150 0.040 0.000 0.756 70 L N -0.346 120.896 121.223 0.031 0.000 2.929 70 L HA 0.051 4.406 4.340 0.024 0.000 0.246 70 L C -1.531 175.357 176.870 0.031 0.000 0.960 70 L CA 0.805 55.662 54.840 0.029 0.000 1.056 70 L CB 1.143 43.220 42.059 0.031 0.000 1.437 70 L HN -0.310 7.940 8.230 0.033 0.000 0.514 71 Q N 1.565 121.380 119.800 0.026 0.000 2.951 71 Q HA -0.228 4.124 4.340 0.021 0.000 0.101 71 Q C -0.216 175.803 176.000 0.032 0.000 1.562 71 Q CA 0.507 56.326 55.803 0.026 0.000 0.418 71 Q CB 0.452 29.206 28.738 0.027 0.000 0.625 71 Q HN 0.085 8.368 8.270 0.022 0.000 0.320 72 L N 3.050 124.289 121.223 0.027 0.000 2.131 72 L HA -0.219 4.145 4.340 0.040 0.000 0.206 72 L C 0.875 177.767 176.870 0.037 0.000 1.087 72 L CA 2.405 57.265 54.840 0.032 0.000 0.767 72 L CB -0.248 41.825 42.059 0.023 0.000 0.917 72 L HN 0.134 8.377 8.230 0.021 0.000 0.441 73 A N -0.782 122.055 122.820 0.027 0.000 1.930 73 A HA -0.198 4.137 4.320 0.025 0.000 0.217 73 A C 2.227 179.836 177.584 0.041 0.000 1.175 73 A CA 2.803 54.855 52.037 0.026 0.000 0.627 73 A CB -1.241 17.767 19.000 0.013 0.000 0.815 73 A HN 0.319 8.482 8.150 0.021 0.000 0.443 74 G N -2.071 106.755 108.800 0.043 0.000 2.421 74 G HA2 -0.257 3.733 3.960 0.051 0.000 0.216 74 G HA3 -0.257 3.731 3.960 0.047 0.000 0.216 74 G C 1.325 176.269 174.900 0.072 0.000 1.171 74 G CA 1.799 46.931 45.100 0.052 0.000 0.775 74 G HN 0.157 8.458 8.290 0.036 0.010 0.543 75 c N 2.203 120.847 118.600 0.074 0.000 2.425 75 c HA -0.161 4.471 4.570 0.104 0.000 0.277 75 c C 1.945 176.106 174.090 0.119 0.000 1.280 75 c CA 3.770 60.157 56.329 0.096 0.000 1.744 75 c CB -1.633 40.929 42.510 0.087 0.000 1.989 75 c HN -0.509 7.758 8.230 0.062 0.000 0.491 76 L N -0.644 120.642 121.223 0.105 0.000 2.217 76 L HA -0.213 4.221 4.340 0.157 0.000 0.211 76 L C 1.964 178.927 176.870 0.155 0.000 1.107 76 L CA 2.876 57.793 54.840 0.128 0.000 0.783 76 L CB -1.025 41.085 42.059 0.085 0.000 0.919 76 L HN -0.071 8.100 8.230 0.082 0.108 0.442 77 S N 0.298 116.070 115.700 0.121 0.000 2.371 77 S HA -0.279 4.278 4.470 0.146 0.000 0.224 77 S C 2.187 176.876 174.600 0.147 0.000 1.029 77 S CA 4.210 62.487 58.200 0.128 0.000 0.978 77 S CB -0.132 63.119 63.200 0.084 0.000 0.833 77 S HN -0.139 8.081 8.310 0.097 0.148 0.466 78 Q N 2.056 121.936 119.800 0.133 0.000 2.187 78 Q HA -0.179 4.226 4.340 0.108 0.000 0.199 78 Q C 2.680 178.773 176.000 0.155 0.000 0.957 78 Q CA 2.930 58.810 55.803 0.129 0.000 0.857 78 Q CB 0.181 28.995 28.738 0.127 0.000 0.929 78 Q HN -0.362 7.982 8.270 0.123 0.000 0.453 79 L N -0.862 120.477 121.223 0.193 0.000 2.179 79 L HA -0.242 4.236 4.340 0.230 0.000 0.208 79 L C 1.608 178.615 176.870 0.228 0.000 1.096 79 L CA 2.388 57.364 54.840 0.228 0.000 0.779 79 L CB 0.227 42.437 42.059 0.252 0.000 0.922 79 L HN -0.152 8.190 8.230 0.186 0.000 0.443 80 H N -0.377 118.780 119.070 0.144 0.000 2.372 80 H HA -0.166 4.486 4.556 0.160 0.000 0.301 80 H C 2.194 177.589 175.328 0.113 0.000 1.065 80 H CA 3.852 59.982 56.048 0.136 0.000 1.364 80 H CB 0.578 30.424 29.762 0.140 0.000 1.406 80 H HN -0.156 8.310 8.280 0.309 0.000 0.521 81 S N -0.912 114.851 115.700 0.104 0.000 2.387 81 S HA -0.249 4.244 4.470 0.037 0.000 0.226 81 S C 2.383 176.990 174.600 0.011 0.000 1.026 81 S CA 2.772 61.006 58.200 0.056 0.000 0.972 81 S CB -0.221 63.027 63.200 0.081 0.000 0.814 81 S HN -0.147 8.278 8.310 0.191 0.000 0.477 82 G N 1.013 109.811 108.800 -0.003 0.000 2.414 82 G HA2 -0.207 3.623 3.960 -0.217 0.000 0.215 82 G HA3 -0.207 3.770 3.960 -0.075 -0.061 0.215 82 G C 0.826 175.676 174.900 -0.082 0.000 1.188 82 G CA 1.889 46.924 45.100 -0.109 0.000 0.783 82 G HN -0.302 7.914 8.290 0.052 0.105 0.537 83 L N 1.327 122.565 121.223 0.025 0.000 2.201 83 L HA -0.204 4.221 4.340 0.141 0.000 0.212 83 L C 1.428 178.288 176.870 -0.016 0.000 1.105 83 L CA 2.413 57.290 54.840 0.062 0.000 0.775 83 L CB 0.015 42.132 42.059 0.096 0.000 0.913 83 L HN -0.351 7.798 8.230 0.046 0.108 0.440 84 F N -0.158 119.637 119.950 -0.258 0.000 2.259 84 F HA -0.281 4.059 4.527 -0.311 0.000 0.298 84 F C 1.253 176.900 175.800 -0.255 0.000 1.088 84 F CA 3.146 60.956 58.000 -0.317 0.000 1.358 84 F CB 0.077 38.822 39.000 -0.426 0.000 1.040 84 F HN -0.329 7.852 8.300 -0.006 0.115 0.505 85 L N 0.284 121.315 121.223 -0.319 0.000 2.109 85 L HA -0.405 3.653 4.340 -0.470 0.000 0.207 85 L C 1.809 178.364 176.870 -0.524 0.000 1.086 85 L CA 2.913 57.473 54.840 -0.467 0.000 0.760 85 L CB -0.138 41.641 42.059 -0.467 0.000 0.910 85 L HN -0.168 7.833 8.230 -0.188 0.117 0.437 86 Y N -2.278 117.841 120.300 -0.302 0.000 2.263 86 Y HA -0.392 3.981 4.550 -0.296 0.000 0.292 86 Y C 2.459 178.193 175.900 -0.277 0.000 1.130 86 Y CA 3.720 61.643 58.100 -0.294 0.000 1.179 86 Y CB -0.493 37.786 38.460 -0.301 0.000 0.998 86 Y HN -0.203 7.849 8.280 -0.381 0.000 0.532 87 Q N -0.109 119.597 119.800 -0.156 0.000 2.123 87 Q HA -0.265 4.002 4.340 -0.122 0.000 0.199 87 Q C 2.710 178.530 176.000 -0.298 0.000 0.966 87 Q CA 2.947 58.633 55.803 -0.195 0.000 0.845 87 Q CB 0.021 28.646 28.738 -0.189 0.000 0.907 87 Q HN -0.169 7.996 8.270 -0.176 0.000 0.439 88 G N -0.085 108.424 108.800 -0.485 0.000 2.404 88 G HA2 -0.274 3.422 3.960 -0.441 0.000 0.215 88 G HA3 -0.274 3.296 3.960 -0.650 0.000 0.215 88 G C 1.271 175.972 174.900 -0.330 0.000 1.174 88 G CA 1.772 46.575 45.100 -0.495 0.000 0.780 88 G HN -0.153 7.786 8.290 -0.586 0.000 0.537 89 L N 2.131 123.166 121.223 -0.314 0.000 2.046 89 L HA -0.209 3.958 4.340 -0.289 0.000 0.208 89 L C 1.721 178.507 176.870 -0.140 0.000 1.077 89 L CA 2.481 57.177 54.840 -0.239 0.000 0.747 89 L CB -0.737 41.195 42.059 -0.213 0.000 0.896 89 L HN -0.248 7.771 8.230 -0.352 0.000 0.432 90 L N -1.579 119.567 121.223 -0.127 0.000 2.083 90 L HA -0.435 3.860 4.340 -0.075 0.000 0.209 90 L C 2.269 179.084 176.870 -0.092 0.000 1.083 90 L CA 3.617 58.402 54.840 -0.091 0.000 0.752 90 L CB -0.334 41.675 42.059 -0.083 0.000 0.899 90 L HN -0.293 7.851 8.230 -0.144 0.000 0.433 91 Q N -1.791 117.936 119.800 -0.120 0.000 2.167 91 Q HA -0.344 3.949 4.340 -0.080 0.000 0.202 91 Q C 2.483 178.433 176.000 -0.083 0.000 0.970 91 Q CA 2.959 58.700 55.803 -0.103 0.000 0.855 91 Q CB -0.214 28.444 28.738 -0.134 0.000 0.911 91 Q HN -0.270 7.792 8.270 -0.158 0.114 0.438 92 A N 0.429 123.193 122.820 -0.093 0.000 1.855 92 A HA -0.278 4.014 4.320 -0.046 0.000 0.215 92 A C 1.893 179.470 177.584 -0.012 0.000 1.191 92 A CA 3.008 55.015 52.037 -0.050 0.000 0.613 92 A CB -0.636 18.329 19.000 -0.059 0.000 0.829 92 A HN -0.225 7.712 8.150 -0.127 0.137 0.442 93 L N -2.152 119.061 121.223 -0.016 0.000 2.012 93 L HA -0.446 3.881 4.340 -0.022 0.000 0.210 93 L C 2.102 178.947 176.870 -0.041 0.000 1.073 93 L CA 3.971 58.791 54.840 -0.033 0.000 0.748 93 L CB -0.375 41.646 42.059 -0.063 0.000 0.891 93 L HN -0.249 7.964 8.230 -0.027 0.000 0.431 94 E N -3.361 116.813 120.200 -0.043 0.000 2.204 94 E HA -0.329 4.001 4.350 -0.034 0.000 0.194 94 E C 1.615 178.202 176.600 -0.022 0.000 0.989 94 E CA 2.192 58.572 56.400 -0.034 0.000 0.824 94 E CB 0.115 29.792 29.700 -0.037 0.000 0.756 94 E HN -0.425 7.906 8.360 -0.049 0.000 0.477 95 G N -1.319 107.468 108.800 -0.021 0.000 2.623 95 G HA2 -0.086 3.868 3.960 -0.010 0.000 0.214 95 G HA3 -0.086 3.906 3.960 -0.015 -0.040 0.214 95 G C 0.979 175.881 174.900 0.003 0.000 1.138 95 G CA 0.538 45.631 45.100 -0.011 0.000 0.794 95 G HN -0.461 7.663 8.290 -0.028 0.149 0.535 96 I N -0.795 119.779 120.570 0.007 0.000 2.032 96 I HA -0.365 3.823 4.170 0.030 0.000 0.228 96 I C 1.064 177.195 176.117 0.023 0.000 1.030 96 I CA 1.970 63.283 61.300 0.022 0.000 1.318 96 I CB -0.401 37.612 38.000 0.022 0.000 1.049 96 I HN -0.314 7.747 8.210 -0.001 0.149 0.387 97 S N -5.127 110.587 115.700 0.023 0.000 6.547 97 S HA -0.003 4.479 4.470 0.019 0.000 0.076 97 S C -2.308 172.311 174.600 0.032 0.000 1.283 97 S CA 0.619 58.834 58.200 0.026 0.000 1.275 97 S CB -0.082 63.137 63.200 0.032 0.000 1.550 97 S HN 0.167 8.488 8.310 0.018 0.000 0.510 98 P HA -0.003 4.452 4.420 0.059 0.000 0.262 98 P C -1.216 176.112 177.300 0.046 0.000 1.455 98 P CA 0.566 63.707 63.100 0.068 0.000 1.217 98 P CB -0.613 31.169 31.700 0.136 0.000 1.625 99 E N 4.611 124.828 120.200 0.029 0.000 2.023 99 E HA -0.351 3.999 4.350 0.001 0.000 0.196 99 E C 0.500 177.111 176.600 0.018 0.000 1.003 99 E CA 2.040 58.448 56.400 0.013 0.000 0.809 99 E CB 0.321 30.028 29.700 0.011 0.000 0.755 99 E HN -0.067 8.300 8.360 0.028 0.011 0.449 100 L N -3.307 117.936 121.223 0.033 0.000 4.429 100 L HA -0.216 4.150 4.340 0.044 0.000 0.422 100 L C -1.286 175.598 176.870 0.023 0.000 1.149 100 L CA 0.226 55.091 54.840 0.041 0.000 0.972 100 L CB -0.756 41.347 42.059 0.073 0.000 2.059 100 L HN -0.133 8.117 8.230 0.033 0.000 0.870 101 G N -4.930 103.878 108.800 0.012 0.000 2.350 101 G HA2 -0.041 3.923 3.960 0.007 0.000 0.274 101 G HA3 -0.041 3.922 3.960 0.004 0.000 0.274 101 G C -1.989 172.910 174.900 -0.001 0.000 1.621 101 G CA -0.711 44.393 45.100 0.006 0.000 0.935 101 G HN -0.438 7.810 8.290 0.012 0.049 0.694 102 P HA 0.290 4.993 4.420 -0.002 -0.284 0.242 102 P C 0.230 177.528 177.300 -0.004 0.000 1.197 102 P CA -0.064 63.035 63.100 -0.001 0.000 0.765 102 P CB 0.362 32.063 31.700 0.002 0.000 0.936 103 T N 2.527 117.077 114.554 -0.006 0.000 2.788 103 T HA -0.287 4.060 4.350 -0.004 0.000 0.268 103 T C 1.210 175.902 174.700 -0.013 0.000 1.044 103 T CA 3.736 65.831 62.100 -0.008 0.000 1.139 103 T CB -0.647 68.216 68.868 -0.009 0.000 0.867 103 T HN -0.028 8.124 8.240 -0.005 0.084 0.454 104 L N -0.763 120.448 121.223 -0.020 0.000 2.189 104 L HA -0.295 4.025 4.340 -0.034 0.000 0.214 104 L C 1.547 178.404 176.870 -0.022 0.000 1.097 104 L CA 2.968 57.791 54.840 -0.029 0.000 0.764 104 L CB -1.005 41.032 42.059 -0.038 0.000 0.900 104 L HN -0.515 7.692 8.230 -0.019 0.011 0.436 105 D N -1.963 118.428 120.400 -0.014 0.000 2.149 105 D HA -0.127 4.506 4.640 -0.012 0.000 0.201 105 D C 2.018 178.317 176.300 -0.002 0.000 0.972 105 D CA 3.336 57.331 54.000 -0.009 0.000 0.835 105 D CB -0.304 40.494 40.800 -0.004 0.000 0.966 105 D HN -0.372 7.839 8.370 -0.012 0.151 0.476 106 T N 3.114 117.668 114.554 0.000 0.000 2.904 106 T HA -0.161 4.196 4.350 0.013 0.000 0.267 106 T C 1.912 176.617 174.700 0.009 0.000 1.059 106 T CA 3.191 65.296 62.100 0.008 0.000 1.137 106 T CB -0.314 68.559 68.868 0.009 0.000 0.879 106 T HN -0.571 7.576 8.240 -0.002 0.092 0.467 107 L N 1.069 122.290 121.223 -0.002 0.000 2.056 107 L HA -0.160 4.181 4.340 0.003 0.000 0.207 107 L C 1.599 178.465 176.870 -0.007 0.000 1.078 107 L CA 3.296 58.132 54.840 -0.007 0.000 0.749 107 L CB -1.074 40.971 42.059 -0.023 0.000 0.901 107 L HN 0.036 8.261 8.230 -0.008 0.000 0.433 108 Q N -0.812 118.980 119.800 -0.013 0.000 2.226 108 Q HA -0.301 4.025 4.340 -0.023 0.000 0.204 108 Q C 2.778 178.782 176.000 0.007 0.000 0.975 108 Q CA 3.175 58.969 55.803 -0.014 0.000 0.866 108 Q CB -0.041 28.683 28.738 -0.024 0.000 0.915 108 Q HN -0.448 7.813 8.270 -0.016 0.000 0.440 109 L N -0.182 121.050 121.223 0.015 0.000 2.046 109 L HA -0.350 4.007 4.340 0.028 0.000 0.208 109 L C 1.629 178.530 176.870 0.053 0.000 1.077 109 L CA 3.585 58.443 54.840 0.030 0.000 0.747 109 L CB -0.090 41.985 42.059 0.027 0.000 0.896 109 L HN -0.226 7.874 8.230 0.009 0.135 0.432 110 D N -0.962 119.473 120.400 0.058 0.000 2.117 110 D HA -0.244 4.459 4.640 0.106 0.000 0.197 110 D C 2.430 178.813 176.300 0.140 0.000 0.987 110 D CA 3.707 57.766 54.000 0.098 0.000 0.829 110 D CB -0.014 40.839 40.800 0.088 0.000 0.961 110 D HN -0.400 7.914 8.370 0.041 0.080 0.460 111 V N -0.818 119.146 119.914 0.084 0.000 2.759 111 V HA -0.373 3.811 4.120 0.107 0.000 0.256 111 V C 1.827 177.992 176.094 0.119 0.000 1.080 111 V CA 3.227 65.576 62.300 0.081 0.000 1.101 111 V CB -0.980 30.840 31.823 -0.006 0.000 0.698 111 V HN -0.245 7.905 8.190 0.045 0.067 0.477 112 A N 0.931 123.804 122.820 0.088 0.000 1.872 112 A HA -0.275 4.081 4.320 0.059 0.000 0.214 112 A C 1.913 179.562 177.584 0.107 0.000 1.187 112 A CA 3.447 55.529 52.037 0.075 0.000 0.614 112 A CB -0.733 18.296 19.000 0.047 0.000 0.826 112 A HN 0.050 8.069 8.150 0.071 0.174 0.442 113 D N -0.078 120.391 120.400 0.115 0.000 2.144 113 D HA -0.261 4.424 4.640 0.075 0.000 0.199 113 D C 2.093 178.459 176.300 0.109 0.000 0.984 113 D CA 4.225 58.283 54.000 0.097 0.000 0.834 113 D CB -0.154 40.694 40.800 0.082 0.000 0.955 113 D HN -0.418 8.018 8.370 0.111 0.000 0.465 114 F N 0.731 120.712 119.950 0.052 0.000 2.051 114 F HA -0.343 4.225 4.527 0.069 0.000 0.296 114 F C 1.407 177.258 175.800 0.085 0.000 1.122 114 F CA 3.996 62.036 58.000 0.066 0.000 1.201 114 F CB 0.168 39.204 39.000 0.059 0.000 0.978 114 F HN -0.317 8.167 8.300 0.325 0.011 0.472 115 A N -2.433 120.575 122.820 0.312 0.000 2.024 115 A HA -0.426 4.044 4.320 0.250 0.000 0.220 115 A C 1.934 179.634 177.584 0.193 0.000 1.164 115 A CA 3.045 55.207 52.037 0.208 0.000 0.643 115 A CB -0.817 18.239 19.000 0.095 0.000 0.806 115 A HN 0.014 8.344 8.150 0.300 0.000 0.451 116 T N 0.449 115.100 114.554 0.161 0.000 2.737 116 T HA -0.322 4.172 4.350 0.241 0.000 0.265 116 T C 2.190 176.996 174.700 0.178 0.000 1.038 116 T CA 4.686 66.894 62.100 0.180 0.000 1.144 116 T CB -0.593 68.346 68.868 0.118 0.000 0.866 116 T HN -0.167 8.032 8.240 0.144 0.127 0.434 117 T N 4.229 118.829 114.554 0.076 0.000 2.833 117 T HA -0.328 4.032 4.350 0.017 0.000 0.269 117 T C 1.938 176.693 174.700 0.093 0.000 1.054 117 T CA 4.260 66.368 62.100 0.013 0.000 1.135 117 T CB -0.718 68.059 68.868 -0.153 0.000 0.869 117 T HN -0.285 7.979 8.240 0.040 0.000 0.466 118 I N 0.414 121.094 120.570 0.184 0.000 2.439 118 I HA -0.259 4.039 4.170 0.213 0.000 0.251 118 I C 1.551 177.914 176.117 0.411 0.000 1.139 118 I CA 1.917 63.390 61.300 0.288 0.000 1.438 118 I CB -1.325 36.899 38.000 0.374 0.000 1.085 118 I HN -0.269 7.946 8.210 0.184 0.105 0.427 119 W N 0.479 121.850 121.300 0.117 0.000 2.519 119 W HA -0.381 4.311 4.660 0.054 0.000 0.266 119 W C 2.036 178.563 176.519 0.013 0.000 1.253 119 W CA 1.626 59.014 57.345 0.072 0.000 1.274 119 W CB 0.840 30.355 29.460 0.092 0.000 1.114 119 W HN -0.120 8.206 8.180 0.465 0.132 0.596 120 Q N -1.419 118.470 119.800 0.149 0.000 2.049 120 Q HA -0.407 3.903 4.340 -0.050 0.000 0.198 120 Q C 2.460 178.441 176.000 -0.032 0.000 0.971 120 Q CA 3.879 59.686 55.803 0.006 0.000 0.833 120 Q CB -0.308 28.439 28.738 0.015 0.000 0.896 120 Q HN -0.198 8.043 8.270 0.206 0.152 0.434 121 Q N -1.351 118.461 119.800 0.020 0.000 2.181 121 Q HA -0.303 4.026 4.340 -0.018 0.000 0.205 121 Q C 2.523 178.494 176.000 -0.047 0.000 0.980 121 Q CA 3.110 58.915 55.803 0.002 0.000 0.862 121 Q CB -0.225 28.544 28.738 0.051 0.000 0.905 121 Q HN -0.325 7.987 8.270 0.070 0.000 0.429 122 M N -0.029 119.528 119.600 -0.071 0.000 2.132 122 M HA -0.317 4.039 4.480 -0.184 0.013 0.263 122 M C 1.657 177.756 176.300 -0.336 0.000 1.065 122 M CA 3.284 58.436 55.300 -0.246 0.000 1.122 122 M CB -0.201 32.133 32.600 -0.444 0.000 1.365 122 M HN -0.220 7.947 8.290 0.017 0.133 0.411 123 E N -0.974 119.025 120.200 -0.335 0.000 2.130 123 E HA -0.372 3.765 4.350 -0.355 0.000 0.196 123 E C 2.424 178.913 176.600 -0.185 0.000 0.998 123 E CA 2.640 58.870 56.400 -0.284 0.000 0.806 123 E CB -0.247 29.325 29.700 -0.215 0.000 0.738 123 E HN -0.303 7.779 8.360 -0.293 0.102 0.459 124 E N -2.704 117.414 120.200 -0.137 0.000 2.107 124 E HA -0.146 4.151 4.350 -0.089 0.000 0.191 124 E C 0.239 176.782 176.600 -0.096 0.000 0.982 124 E CA 1.741 58.084 56.400 -0.095 0.000 0.809 124 E CB 1.386 31.047 29.700 -0.065 0.000 0.756 124 E HN -0.592 7.586 8.360 -0.130 0.104 0.459 125 L N -2.803 118.353 121.223 -0.112 0.000 3.188 125 L HA 0.095 4.370 4.340 -0.109 0.000 0.220 125 L C -2.365 174.439 176.870 -0.111 0.000 1.002 125 L CA 0.726 55.506 54.840 -0.100 0.000 1.228 125 L CB 1.246 43.269 42.059 -0.060 0.000 1.540 125 L HN -0.470 7.575 8.230 -0.129 0.108 0.655 126 G N 1.072 109.767 108.800 -0.175 0.000 4.921 126 G HA2 0.347 4.235 3.960 -0.120 0.000 0.248 126 G HA3 0.347 4.163 3.960 -0.240 0.000 0.248 126 G C -0.892 173.897 174.900 -0.185 0.000 1.026 126 G CA 0.545 45.533 45.100 -0.187 0.000 0.825 126 G HN -0.204 7.956 8.290 -0.218 0.000 0.538 127 M N -0.809 118.714 119.600 -0.129 0.000 2.866 127 M HA 0.241 4.676 4.480 -0.074 0.000 0.319 127 M C -1.169 175.108 176.300 -0.039 0.000 1.244 127 M CA -0.435 54.814 55.300 -0.085 0.000 0.974 127 M CB 0.672 33.217 32.600 -0.092 0.000 1.291 127 M HN -0.414 7.808 8.290 -0.114 0.000 0.513 128 A N -0.433 122.371 122.820 -0.026 0.000 3.317 128 A HA 0.449 4.768 4.320 -0.001 0.000 0.307 128 A C -2.849 174.749 177.584 0.023 0.000 1.003 128 A CA -1.882 50.154 52.037 -0.002 0.000 0.882 128 A CB -0.356 18.642 19.000 -0.002 0.000 1.136 128 A HN -0.129 7.918 8.150 -0.041 0.078 0.488 129 P HA -0.057 4.426 4.420 0.104 0.000 0.270 129 P C -0.952 176.373 177.300 0.043 0.000 1.223 129 P CA -0.186 62.949 63.100 0.057 0.000 0.785 129 P CB 0.967 32.687 31.700 0.033 0.000 0.923 130 A N 1.216 124.067 122.820 0.051 0.000 3.154 130 A HA 0.097 4.435 4.320 0.030 0.000 0.310 130 A C -1.473 176.130 177.584 0.032 0.000 1.093 130 A CA -0.242 51.818 52.037 0.039 0.000 1.006 130 A CB 0.277 19.304 19.000 0.046 0.000 1.084 130 A HN 0.178 8.369 8.150 0.068 0.000 0.549 131 L N -4.936 116.302 121.223 0.025 0.000 2.661 131 L HA 0.417 4.770 4.340 0.022 0.000 0.263 131 L C -1.849 175.031 176.870 0.016 0.000 0.956 131 L CA 0.341 55.195 54.840 0.024 0.000 0.918 131 L CB 1.070 43.153 42.059 0.040 0.000 1.280 131 L HN -0.536 7.644 8.230 0.021 0.062 0.416 132 Q N 2.246 122.054 119.800 0.014 0.000 2.965 132 Q HA 0.313 4.660 4.340 0.011 0.000 0.288 132 Q C -1.899 174.107 176.000 0.011 0.000 0.974 132 Q CA -1.970 53.839 55.803 0.011 0.000 0.849 132 Q CB 0.406 29.149 28.738 0.009 0.000 1.280 132 Q HN 0.277 8.555 8.270 0.013 0.000 0.441 133 P HA 0.051 4.475 4.420 0.008 0.000 0.306 133 P C 0.313 177.620 177.300 0.010 0.000 1.301 133 P CA -0.524 62.583 63.100 0.012 0.000 0.744 133 P CB 0.521 32.230 31.700 0.016 0.000 1.400 134 T N -2.023 112.536 114.554 0.009 0.000 2.643 134 T HA -0.166 4.189 4.350 0.008 0.000 0.264 134 T C -0.156 174.551 174.700 0.011 0.000 1.045 134 T CA 2.163 64.268 62.100 0.009 0.000 1.155 134 T CB 0.191 69.064 68.868 0.008 0.000 0.863 134 T HN 0.301 8.546 8.240 0.009 0.000 0.420 135 Q N -1.787 118.021 119.800 0.013 0.000 3.607 135 Q HA 0.030 4.379 4.340 0.016 0.000 0.167 135 Q C -1.284 174.727 176.000 0.019 0.000 0.821 135 Q CA -0.099 55.713 55.803 0.015 0.000 1.114 135 Q CB -0.317 28.429 28.738 0.013 0.000 1.553 135 Q HN -0.534 7.744 8.270 0.014 0.000 0.561 136 G N 0.050 108.865 108.800 0.025 0.000 3.316 136 G HA2 0.055 4.043 3.960 0.046 0.000 0.445 136 G HA3 0.055 4.033 3.960 0.030 0.000 0.445 136 G C -0.865 174.050 174.900 0.025 0.000 1.002 136 G CA 0.057 45.176 45.100 0.032 0.000 0.818 136 G HN 0.774 9.080 8.290 0.027 0.000 0.404 137 A N 3.993 126.830 122.820 0.028 0.000 2.068 137 A HA 0.022 4.342 4.320 -0.000 0.000 0.274 137 A C -2.571 175.009 177.584 -0.007 0.000 0.977 137 A CA 0.195 52.236 52.037 0.006 0.000 0.824 137 A CB 0.880 19.882 19.000 0.003 0.000 0.867 137 A HN -0.138 8.039 8.150 0.045 0.000 0.338 138 M N -0.533 119.041 119.600 -0.044 0.000 1.403 138 M HA 0.098 4.520 4.480 -0.097 0.000 0.172 138 M C -2.130 174.062 176.300 -0.179 0.000 0.912 138 M CA 0.979 56.220 55.300 -0.098 0.000 0.671 138 M CB 0.551 33.111 32.600 -0.067 0.000 1.671 138 M HN -0.061 8.200 8.290 -0.048 0.000 0.645 139 P HA 0.022 4.267 4.420 -0.291 0.000 0.259 139 P C -1.981 175.227 177.300 -0.153 0.000 1.635 139 P CA 0.086 63.052 63.100 -0.223 0.000 1.199 139 P CB -2.038 29.530 31.700 -0.219 0.000 1.850 140 A N 2.716 125.433 122.820 -0.172 0.000 1.546 140 A HA 0.095 4.390 4.320 -0.041 0.000 0.249 140 A C -1.726 175.834 177.584 -0.040 0.000 1.020 140 A CA 0.473 52.466 52.037 -0.073 0.000 0.846 140 A CB 0.333 19.312 19.000 -0.035 0.000 0.982 140 A HN -0.348 7.624 8.150 -0.267 0.018 0.341 141 F N 1.564 121.499 119.950 -0.024 0.000 2.451 141 F HA -0.339 4.184 4.527 -0.006 0.000 0.299 141 F C 0.599 176.399 175.800 -0.001 0.000 1.101 141 F CA 0.621 58.614 58.000 -0.011 0.000 1.436 141 F CB -0.102 38.889 39.000 -0.014 0.000 1.074 141 F HN 0.214 8.584 8.300 0.117 0.000 0.553 142 A N -3.879 119.054 122.820 0.188 0.000 3.629 142 A HA -0.291 4.077 4.320 0.081 0.000 0.224 142 A C -0.577 177.065 177.584 0.095 0.000 1.104 142 A CA 0.274 52.380 52.037 0.114 0.000 1.660 142 A CB -1.737 17.328 19.000 0.108 0.000 0.911 142 A HN -0.232 7.955 8.150 0.153 0.056 0.805 143 S N -3.791 111.975 115.700 0.109 0.000 3.098 143 S HA -0.017 4.496 4.470 0.072 0.000 0.805 143 S C -0.489 174.149 174.600 0.063 0.000 0.883 143 S CA 2.139 60.385 58.200 0.075 0.000 1.384 143 S CB -0.350 62.888 63.200 0.063 0.000 1.040 143 S HN 0.648 8.980 8.310 0.161 0.075 0.525 144 A N 4.099 126.951 122.820 0.052 0.000 3.092 144 A HA -0.006 4.368 4.320 0.089 0.000 0.281 144 A C -1.422 176.216 177.584 0.090 0.000 1.016 144 A CA -0.374 51.709 52.037 0.077 0.000 0.556 144 A CB 0.261 19.307 19.000 0.077 0.000 1.597 144 A HN -0.149 8.020 8.150 0.033 0.000 0.752 145 F N 0.225 120.164 119.950 -0.018 0.000 2.074 145 F HA -0.306 4.218 4.527 -0.006 0.000 0.290 145 F C 0.661 176.425 175.800 -0.059 0.000 1.118 145 F CA 3.783 61.769 58.000 -0.024 0.000 1.199 145 F CB 0.445 39.430 39.000 -0.025 0.000 1.012 145 F HN 0.141 8.589 8.300 0.247 0.000 0.472 146 Q N -1.457 118.286 119.800 -0.095 0.000 2.181 146 Q HA -0.291 3.813 4.340 -0.394 0.000 0.205 146 Q C 2.492 178.242 176.000 -0.417 0.000 0.980 146 Q CA 4.036 59.685 55.803 -0.256 0.000 0.862 146 Q CB -0.929 27.776 28.738 -0.054 0.000 0.905 146 Q HN 0.289 8.686 8.270 0.211 0.000 0.429 147 R N -1.423 118.868 120.500 -0.348 0.000 2.066 147 R HA -0.258 3.443 4.340 -1.066 0.000 0.232 147 R C 2.408 178.408 176.300 -0.500 0.000 1.131 147 R CA 3.108 58.884 56.100 -0.539 0.000 0.955 147 R CB -0.758 29.454 30.300 -0.148 0.000 0.851 147 R HN 0.326 8.464 8.270 -0.178 0.025 0.432 148 R N -0.231 120.101 120.500 -0.280 0.000 2.081 148 R HA -0.326 3.922 4.340 -0.153 0.000 0.235 148 R C 2.169 178.311 176.300 -0.263 0.000 1.131 148 R CA 3.410 59.400 56.100 -0.185 0.000 0.960 148 R CB -0.278 30.025 30.300 0.005 0.000 0.856 148 R HN -0.445 7.693 8.270 -0.219 0.000 0.436 149 A N -2.243 120.345 122.820 -0.386 0.000 1.933 149 A HA -0.290 3.883 4.320 -0.245 0.000 0.218 149 A C 1.568 178.986 177.584 -0.277 0.000 1.175 149 A CA 2.912 54.745 52.037 -0.340 0.000 0.628 149 A CB -0.731 17.996 19.000 -0.456 0.000 0.814 149 A HN -0.038 7.815 8.150 -0.496 0.000 0.444 150 G N -2.198 106.337 108.800 -0.442 0.000 2.422 150 G HA2 -0.330 3.566 3.960 -0.108 0.000 0.218 150 G HA3 -0.330 2.976 3.960 -1.091 0.000 0.218 150 G C 1.186 176.049 174.900 -0.062 0.000 1.140 150 G CA 1.640 46.496 45.100 -0.406 0.000 0.775 150 G HN -0.099 7.730 8.290 -0.587 0.109 0.545 151 G N 1.730 110.451 108.800 -0.131 0.000 2.414 151 G HA2 -0.214 3.845 3.960 0.166 0.000 0.215 151 G HA3 -0.214 3.718 3.960 -0.047 0.000 0.215 151 G C 1.354 176.209 174.900 -0.076 0.000 1.188 151 G CA 1.793 46.897 45.100 0.005 0.000 0.783 151 G HN -0.219 7.763 8.290 -0.308 0.123 0.537 152 V N 0.597 120.429 119.914 -0.137 0.000 2.407 152 V HA -0.431 3.602 4.120 -0.144 0.000 0.248 152 V C 1.636 177.664 176.094 -0.109 0.000 1.055 152 V CA 3.052 65.275 62.300 -0.130 0.000 1.049 152 V CB -0.795 30.963 31.823 -0.109 0.000 0.662 152 V HN -0.283 7.806 8.190 -0.168 0.000 0.455 153 L N -1.091 120.082 121.223 -0.084 0.000 2.046 153 L HA -0.392 3.859 4.340 -0.148 0.000 0.208 153 L C 2.344 179.150 176.870 -0.107 0.000 1.077 153 L CA 3.070 57.863 54.840 -0.079 0.000 0.747 153 L CB -0.639 41.450 42.059 0.050 0.000 0.896 153 L HN -0.450 7.722 8.230 -0.080 0.011 0.432 154 V N -0.677 119.187 119.914 -0.083 0.000 2.490 154 V HA -0.381 3.482 4.120 -0.428 0.000 0.250 154 V C 2.068 178.079 176.094 -0.139 0.000 1.061 154 V CA 3.417 65.586 62.300 -0.217 0.000 1.064 154 V CB -0.894 30.836 31.823 -0.156 0.000 0.670 154 V HN -0.281 7.903 8.190 -0.011 0.000 0.461 155 A N -0.576 122.173 122.820 -0.119 0.000 1.877 155 A HA -0.321 3.934 4.320 -0.108 0.000 0.216 155 A C 2.108 179.611 177.584 -0.135 0.000 1.186 155 A CA 3.437 55.403 52.037 -0.118 0.000 0.620 155 A CB -1.084 17.847 19.000 -0.114 0.000 0.822 155 A HN -0.126 7.834 8.150 -0.108 0.125 0.443 156 S N -0.935 114.661 115.700 -0.173 0.000 2.353 156 S HA -0.395 3.987 4.470 -0.146 0.000 0.222 156 S C 2.189 176.675 174.600 -0.190 0.000 1.035 156 S CA 3.970 62.048 58.200 -0.203 0.000 1.025 156 S CB -0.162 62.868 63.200 -0.284 0.000 0.902 156 S HN -0.405 7.798 8.310 -0.179 0.000 0.440 157 H N 1.466 120.468 119.070 -0.112 0.000 2.489 157 H HA -0.222 4.315 4.556 -0.032 0.000 0.293 157 H C 2.844 178.086 175.328 -0.144 0.000 1.066 157 H CA 2.861 58.842 56.048 -0.113 0.000 1.305 157 H CB -0.109 29.495 29.762 -0.263 0.000 1.386 157 H HN -0.255 7.807 8.280 -0.364 0.000 0.551 158 L N -0.659 120.505 121.223 -0.099 0.000 2.072 158 L HA -0.346 3.660 4.340 -0.558 0.000 0.205 158 L C 1.834 178.599 176.870 -0.174 0.000 1.079 158 L CA 2.737 57.413 54.840 -0.273 0.000 0.752 158 L CB -0.071 41.847 42.059 -0.235 0.000 0.906 158 L HN -0.004 8.004 8.230 -0.100 0.162 0.436 159 Q N -1.039 118.693 119.800 -0.113 0.000 2.167 159 Q HA -0.301 3.982 4.340 -0.095 0.000 0.202 159 Q C 2.575 178.541 176.000 -0.058 0.000 0.970 159 Q CA 2.622 58.373 55.803 -0.087 0.000 0.855 159 Q CB -0.587 28.103 28.738 -0.081 0.000 0.911 159 Q HN -0.180 7.938 8.270 -0.111 0.086 0.438 160 S N 1.017 116.703 115.700 -0.023 0.000 2.345 160 S HA -0.235 4.401 4.470 -0.012 -0.173 0.220 160 S C 1.774 176.380 174.600 0.011 0.000 1.031 160 S CA 4.084 62.293 58.200 0.014 0.000 0.996 160 S CB -0.038 63.214 63.200 0.087 0.000 0.882 160 S HN -0.332 7.949 8.310 -0.025 0.015 0.445 161 F N 3.054 122.936 119.950 -0.113 0.000 2.269 161 F HA -0.197 4.290 4.527 -0.066 0.000 0.301 161 F C 1.997 177.695 175.800 -0.171 0.000 1.082 161 F CA 3.231 61.143 58.000 -0.147 0.000 1.360 161 F CB 0.181 39.010 39.000 -0.285 0.000 1.041 161 F HN -0.287 8.095 8.300 0.135 0.000 0.512 162 L N -0.652 120.542 121.223 -0.048 0.000 2.056 162 L HA -0.394 3.889 4.340 -0.094 0.000 0.207 162 L C 2.178 178.994 176.870 -0.089 0.000 1.078 162 L CA 2.981 57.767 54.840 -0.090 0.000 0.749 162 L CB -0.188 41.819 42.059 -0.086 0.000 0.901 162 L HN -0.154 7.940 8.230 -0.025 0.120 0.433 163 E N -0.174 119.973 120.200 -0.088 0.000 2.072 163 E HA -0.271 4.160 4.350 -0.047 -0.110 0.191 163 E C 2.807 179.366 176.600 -0.069 0.000 0.985 163 E CA 3.009 59.370 56.400 -0.066 0.000 0.801 163 E CB 0.126 29.782 29.700 -0.073 0.000 0.750 163 E HN -0.384 7.839 8.360 -0.084 0.087 0.452 164 V N -1.237 118.580 119.914 -0.161 0.000 2.626 164 V HA -0.337 3.714 4.120 -0.115 0.000 0.252 164 V C 2.013 177.958 176.094 -0.248 0.000 1.067 164 V CA 3.492 65.671 62.300 -0.202 0.000 1.081 164 V CB -0.961 30.698 31.823 -0.273 0.000 0.686 164 V HN -0.151 7.928 8.190 -0.184 0.000 0.468 165 S N 1.917 117.405 115.700 -0.352 0.000 2.387 165 S HA -0.311 3.984 4.470 -0.292 0.000 0.226 165 S C 1.967 176.535 174.600 -0.054 0.000 1.026 165 S CA 3.483 61.522 58.200 -0.269 0.000 0.972 165 S CB -0.414 62.609 63.200 -0.295 0.000 0.814 165 S HN -0.158 7.795 8.310 -0.401 0.116 0.477 166 Y N 3.601 123.838 120.300 -0.105 0.000 2.242 166 Y HA -0.325 4.232 4.550 0.011 0.000 0.291 166 Y C 1.412 177.299 175.900 -0.022 0.000 1.137 166 Y CA 3.200 61.281 58.100 -0.032 0.000 1.181 166 Y CB 0.139 38.578 38.460 -0.035 0.000 0.989 166 Y HN -0.344 7.984 8.280 0.080 0.000 0.527 167 R N -1.021 119.593 120.500 0.191 0.000 2.070 167 R HA -0.360 4.093 4.340 0.189 0.000 0.232 167 R C 2.365 178.699 176.300 0.057 0.000 1.138 167 R CA 3.459 59.628 56.100 0.115 0.000 0.936 167 R CB -0.386 29.926 30.300 0.020 0.000 0.839 167 R HN -0.361 7.888 8.270 0.127 0.098 0.429 168 V N -0.756 119.165 119.914 0.012 0.000 2.594 168 V HA -0.274 3.893 4.120 0.078 0.000 0.253 168 V C 1.903 178.018 176.094 0.035 0.000 1.069 168 V CA 3.235 65.556 62.300 0.035 0.000 1.082 168 V CB -0.495 31.328 31.823 0.000 0.000 0.680 168 V HN -0.330 7.846 8.190 -0.024 0.000 0.469 169 L N -0.766 120.444 121.223 -0.022 0.000 2.056 169 L HA -0.255 4.070 4.340 -0.025 0.000 0.207 169 L C 1.446 178.268 176.870 -0.080 0.000 1.078 169 L CA 2.926 57.722 54.840 -0.073 0.000 0.749 169 L CB 0.182 42.130 42.059 -0.185 0.000 0.901 169 L HN -0.319 7.765 8.230 -0.034 0.125 0.433 170 R N -2.834 117.624 120.500 -0.070 0.000 2.115 170 R HA -0.242 4.069 4.340 -0.048 0.000 0.226 170 R C 2.099 178.449 176.300 0.084 0.000 1.100 170 R CA 1.997 58.098 56.100 0.003 0.000 0.980 170 R CB 0.098 30.453 30.300 0.091 0.000 0.875 170 R HN -0.638 7.507 8.270 -0.069 0.084 0.445 171 H N 0.798 119.861 119.070 -0.013 0.000 2.640 171 H HA 0.066 4.623 4.556 0.002 0.000 0.220 171 H C -0.912 174.413 175.328 -0.006 0.000 1.852 171 H CA 0.536 56.582 56.048 -0.003 0.000 1.275 171 H CB -1.080 28.684 29.762 0.004 0.000 1.675 171 H HN -0.337 7.942 8.280 0.175 0.106 0.523 172 L N 0.471 121.666 121.223 -0.046 0.000 3.393 172 L HA 0.216 4.535 4.340 -0.034 0.000 0.319 172 L C -0.992 175.839 176.870 -0.064 0.000 1.309 172 L CA 0.867 55.682 54.840 -0.041 0.000 0.962 172 L CB 0.953 43.005 42.059 -0.012 0.000 1.391 172 L HN -0.632 7.502 8.230 -0.053 0.064 0.607 173 A N -1.623 121.132 122.820 -0.109 0.000 2.674 173 A HA 0.245 4.531 4.320 -0.058 0.000 0.286 173 A C 0.308 177.831 177.584 -0.101 0.000 0.980 173 A CA -0.074 51.913 52.037 -0.084 0.000 1.028 173 A CB 0.013 18.972 19.000 -0.067 0.000 1.199 173 A HN -0.311 7.733 8.150 -0.176 0.000 0.499 174 Q N 0.245 119.975 119.800 -0.116 0.000 1.993 174 Q HA -0.118 4.146 4.340 -0.127 0.000 0.202 174 Q C -1.033 174.932 176.000 -0.058 0.000 0.984 174 Q CA 2.638 58.379 55.803 -0.102 0.000 0.837 174 Q CB -1.467 27.220 28.738 -0.086 0.000 0.902 174 Q HN 0.395 8.596 8.270 -0.115 0.000 0.423 175 P HA 0.000 4.406 4.420 -0.023 0.000 0.216 175 P CA 0.000 63.084 63.100 -0.027 0.000 0.800 175 P CB 0.000 31.687 31.700 -0.021 0.000 0.726