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 3hbr_1_D DATA FIRST_RESID 25 DATA SEQUENCE WQENKSWNAH FTEHKSQGVV VLWNEXXQQG FTNNLKRANQ AFLPASTFXI DATA SEQUENCE PNSLIALDLG VVKDEHQVFK WDGQTRDIAT WNRDHNLITA MKYSVVPVYQ DATA SEQUENCE EFARQIGEAR MSKMLHAFDY GNEDISGNVD SFWLDGGIRI SATEQISFLR DATA SEQUENCE KLYHNKLHVS ERSQRIVKQA MLTEANGDYI IRAKTGYSTR IEPKIGWWVG DATA SEQUENCE WVELDDNVWF FAMNMDMPTS DGLGLRQAIT KEVLKQEKII P 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 25 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 25 W C 0.000 176.432 176.519 -0.145 0.000 1.175 25 W CA 0.000 57.296 57.345 -0.081 0.000 1.226 25 W CB 0.000 29.469 29.460 0.015 0.000 1.126 26 Q N 2.634 122.403 119.800 -0.051 0.000 2.274 26 Q HA 0.440 4.779 4.340 -0.002 0.000 0.260 26 Q C -0.660 175.353 176.000 0.023 0.000 0.974 26 Q CA -0.624 55.152 55.803 -0.046 0.000 0.876 26 Q CB 2.152 30.816 28.738 -0.123 0.000 1.297 26 Q HN 0.521 8.791 8.270 -0.000 0.000 0.446 27 E N 3.169 123.372 120.200 0.005 0.000 2.200 27 E HA 0.121 4.470 4.350 -0.002 0.000 0.283 27 E C -1.027 175.493 176.600 -0.132 0.000 1.015 27 E CA -0.179 56.187 56.400 -0.056 0.000 0.819 27 E CB 0.755 30.436 29.700 -0.033 0.000 1.081 27 E HN 0.685 9.045 8.360 -0.000 0.000 0.397 28 N N 4.496 122.983 118.700 -0.356 0.000 3.114 28 N HA 0.085 4.824 4.740 -0.002 0.000 0.289 28 N C 0.537 175.773 175.510 -0.456 0.000 1.519 28 N CA -0.132 52.610 53.050 -0.513 0.000 1.026 28 N CB 0.278 38.146 38.487 -1.031 0.000 1.306 28 N HN 0.412 8.792 8.380 -0.000 0.000 0.495 29 K N -0.148 120.144 120.400 -0.181 0.000 2.366 29 K HA -0.191 4.128 4.320 -0.002 0.000 0.202 29 K C 1.952 178.551 176.600 -0.002 0.000 1.045 29 K CA 1.431 57.682 56.287 -0.060 0.000 0.934 29 K CB 0.063 32.548 32.500 -0.026 0.000 0.746 29 K HN 0.504 8.754 8.250 -0.000 0.000 0.470 30 S N -0.041 115.648 115.700 -0.018 0.000 2.370 30 S HA -0.185 4.284 4.470 -0.002 0.000 0.226 30 S C 1.486 176.187 174.600 0.168 0.000 1.033 30 S CA 0.927 59.168 58.200 0.068 0.000 1.011 30 S CB -0.565 62.699 63.200 0.108 0.000 0.852 30 S HN 0.355 8.665 8.310 -0.000 0.000 0.457 31 W N 2.855 124.181 121.300 0.043 0.000 2.331 31 W HA 0.058 4.717 4.660 -0.002 0.000 0.291 31 W C 2.097 178.660 176.519 0.074 0.000 1.214 31 W CA 0.032 57.432 57.345 0.093 0.000 1.228 31 W CB -1.678 27.920 29.460 0.231 0.000 1.135 31 W HN 0.364 8.544 8.180 -0.000 0.000 0.537 32 N N 0.414 119.304 118.700 0.317 0.000 2.417 32 N HA -0.127 4.612 4.740 -0.002 0.000 0.187 32 N C 1.278 176.883 175.510 0.158 0.000 1.027 32 N CA 1.506 54.726 53.050 0.283 0.000 0.891 32 N CB -0.504 38.080 38.487 0.161 0.000 0.956 32 N HN 0.036 8.416 8.380 -0.000 0.000 0.442 33 A N 0.166 122.957 122.820 -0.047 0.000 2.543 33 A HA 0.033 4.352 4.320 -0.002 0.000 0.258 33 A C 0.519 177.884 177.584 -0.366 0.000 1.391 33 A CA 0.106 52.037 52.037 -0.177 0.000 1.066 33 A CB -0.322 18.561 19.000 -0.195 0.000 0.972 33 A HN 0.287 8.437 8.150 -0.000 0.000 0.560 34 H N -2.585 116.505 119.070 0.033 0.000 3.436 34 H HA 0.159 4.713 4.556 -0.002 0.000 0.244 34 H C 0.878 176.127 175.328 -0.132 0.000 1.009 34 H CA 0.221 56.198 56.048 -0.119 0.000 1.129 34 H CB 0.002 29.630 29.762 -0.223 0.000 1.473 34 H HN 0.573 8.853 8.280 -0.000 0.000 0.510 35 F N 1.521 121.570 119.950 0.165 0.000 2.270 35 F HA -0.065 4.461 4.527 -0.002 0.000 0.295 35 F C 2.470 178.314 175.800 0.074 0.000 1.087 35 F CA 1.173 59.258 58.000 0.141 0.000 1.365 35 F CB -0.251 38.814 39.000 0.109 0.000 1.056 35 F HN -0.026 8.274 8.300 -0.000 0.000 0.506 36 T N -0.284 114.397 114.554 0.213 0.000 2.635 36 T HA -0.203 4.145 4.350 -0.002 0.000 0.267 36 T C 1.766 176.474 174.700 0.012 0.000 1.040 36 T CA 1.619 63.774 62.100 0.092 0.000 1.156 36 T CB -0.292 68.605 68.868 0.047 0.000 0.863 36 T HN 0.156 8.396 8.240 -0.000 0.000 0.430 37 E N 0.719 120.868 120.200 -0.086 0.000 2.265 37 E HA -0.119 4.230 4.350 -0.002 0.000 0.196 37 E C 1.719 178.147 176.600 -0.285 0.000 0.996 37 E CA 0.905 57.178 56.400 -0.212 0.000 0.832 37 E CB -0.231 29.282 29.700 -0.311 0.000 0.756 37 E HN 0.653 9.013 8.360 -0.000 0.000 0.491 38 H N -0.121 118.972 119.070 0.038 0.000 2.551 38 H HA 0.136 4.690 4.556 -0.002 0.000 0.271 38 H C 0.744 176.101 175.328 0.047 0.000 0.984 38 H CA 0.361 56.426 56.048 0.029 0.000 1.164 38 H CB 0.537 30.307 29.762 0.013 0.000 1.437 38 H HN -0.032 8.248 8.280 -0.000 0.000 0.550 39 K N 1.168 121.645 120.400 0.128 0.000 3.117 39 K HA -0.154 4.165 4.320 -0.002 0.000 0.269 39 K C -0.857 175.815 176.600 0.120 0.000 1.098 39 K CA 0.619 56.965 56.287 0.099 0.000 0.785 39 K CB -1.422 31.119 32.500 0.068 0.000 1.242 39 K HN 0.243 8.493 8.250 -0.000 0.000 0.491 40 S N -0.372 115.441 115.700 0.188 0.000 2.759 40 S HA 0.748 5.217 4.470 -0.002 0.000 0.310 40 S C -0.578 174.118 174.600 0.159 0.000 1.123 40 S CA -0.536 57.781 58.200 0.195 0.000 0.959 40 S CB 1.848 65.226 63.200 0.296 0.000 1.172 40 S HN 0.432 8.742 8.310 -0.000 0.000 0.539 41 Q N -1.216 118.594 119.800 0.017 0.000 2.511 41 Q HA 0.827 5.166 4.340 -0.002 0.000 0.289 41 Q C -0.538 175.105 176.000 -0.596 0.000 1.021 41 Q CA -1.260 54.363 55.803 -0.300 0.000 0.785 41 Q CB 1.663 30.289 28.738 -0.186 0.000 1.472 41 Q HN 0.989 9.259 8.270 -0.000 0.000 0.411 42 G N -0.320 107.834 108.800 -1.077 0.000 2.333 42 G HA2 0.397 4.356 3.960 -0.002 0.000 0.288 42 G HA3 0.397 4.356 3.960 -0.002 0.000 0.288 42 G C -2.020 172.438 174.900 -0.737 0.000 1.286 42 G CA -0.039 44.578 45.100 -0.804 0.000 0.865 42 G HN 0.939 9.229 8.290 -0.000 0.000 0.506 43 V N -0.485 119.300 119.914 -0.215 0.000 2.709 43 V HA 0.800 4.919 4.120 -0.002 0.000 0.308 43 V C -0.807 175.495 176.094 0.347 0.000 1.062 43 V CA -0.516 61.838 62.300 0.090 0.000 0.901 43 V CB 1.502 33.369 31.823 0.073 0.000 1.003 43 V HN 1.658 9.848 8.190 -0.000 0.000 0.425 44 V N 7.218 127.443 119.914 0.519 0.000 2.628 44 V HA 0.824 4.943 4.120 -0.002 0.000 0.306 44 V C -1.085 175.390 176.094 0.635 0.000 1.045 44 V CA -0.123 62.479 62.300 0.505 0.000 0.905 44 V CB 2.112 34.140 31.823 0.341 0.000 0.997 44 V HN 0.776 8.966 8.190 -0.000 0.000 0.436 45 V N 7.203 127.474 119.914 0.594 0.000 2.588 45 V HA 0.590 4.709 4.120 -0.002 0.000 0.304 45 V C -0.784 175.768 176.094 0.763 0.000 1.042 45 V CA -0.624 62.096 62.300 0.700 0.000 0.877 45 V CB 1.467 33.613 31.823 0.538 0.000 0.996 45 V HN 0.724 8.914 8.190 -0.000 0.000 0.425 46 L N 4.169 125.949 121.223 0.928 0.000 2.346 46 L HA 0.625 4.964 4.340 -0.002 0.000 0.274 46 L C -0.739 176.710 176.870 0.965 0.000 1.007 46 L CA -0.295 55.098 54.840 0.922 0.000 0.818 46 L CB 1.916 44.523 42.059 0.913 0.000 1.284 46 L HN 0.777 9.007 8.230 -0.000 0.000 0.424 47 W N 4.001 125.666 121.300 0.609 0.000 2.883 47 W HA 0.345 5.004 4.660 -0.002 0.000 0.335 47 W C -1.046 175.479 176.519 0.010 0.000 1.083 47 W CA -0.620 56.890 57.345 0.275 0.000 1.233 47 W CB 2.058 31.622 29.460 0.174 0.000 1.412 47 W HN 0.480 8.660 8.180 -0.000 0.000 0.490 48 N N 4.494 122.574 118.700 -1.034 0.000 2.469 48 N HA 0.083 4.822 4.740 -0.002 0.000 0.253 48 N C -0.329 174.586 175.510 -0.991 0.000 0.970 48 N CA 0.132 52.377 53.050 -1.340 0.000 0.940 48 N CB 1.264 39.050 38.487 -1.168 0.000 1.128 48 N HN 0.452 8.832 8.380 -0.000 0.000 0.503 53 Q N 0.149 119.060 119.800 -1.481 0.000 2.310 53 Q HA 0.695 5.034 4.340 -0.002 0.000 0.270 53 Q C -0.212 175.155 176.000 -1.054 0.000 1.025 53 Q CA -0.531 54.630 55.803 -1.071 0.000 0.772 53 Q CB 2.276 30.754 28.738 -0.433 0.000 1.253 53 Q HN 0.399 8.669 8.270 -0.000 0.000 0.450 54 G N 1.627 109.793 108.800 -1.056 0.000 2.417 54 G HA2 0.772 4.731 3.960 -0.002 0.000 0.334 54 G HA3 0.772 4.731 3.960 -0.002 0.000 0.334 54 G C -1.223 173.472 174.900 -0.342 0.000 1.150 54 G CA -0.233 44.543 45.100 -0.539 0.000 0.923 54 G HN 0.430 8.720 8.290 -0.000 0.000 0.485 55 F N -0.585 119.729 119.950 0.608 0.000 2.596 55 F HA 0.674 5.200 4.527 -0.002 0.000 0.311 55 F C 0.147 176.243 175.800 0.493 0.000 1.116 55 F CA -0.686 57.578 58.000 0.442 0.000 0.957 55 F CB 2.993 42.283 39.000 0.483 0.000 1.250 55 F HN 0.615 8.915 8.300 -0.000 0.000 0.444 56 T N 0.857 115.493 114.554 0.135 0.000 2.885 56 T HA 0.207 4.556 4.350 -0.002 0.000 0.322 56 T C -0.009 174.612 174.700 -0.132 0.000 1.387 56 T CA -0.714 61.512 62.100 0.211 0.000 1.041 56 T CB 1.114 70.169 68.868 0.312 0.000 1.287 56 T HN 0.729 8.969 8.240 -0.000 0.000 0.491 57 N N 2.561 121.378 118.700 0.194 0.000 2.463 57 N HA 0.029 4.767 4.740 -0.002 0.000 0.181 57 N C 0.311 175.868 175.510 0.078 0.000 1.078 57 N CA 0.206 53.333 53.050 0.129 0.000 0.902 57 N CB -0.004 38.735 38.487 0.420 0.000 0.970 57 N HN 0.686 9.066 8.380 -0.000 0.000 0.451 58 N N 0.085 118.836 118.700 0.084 0.000 2.732 58 N HA 0.173 4.912 4.740 -0.002 0.000 0.247 58 N C 0.277 175.799 175.510 0.020 0.000 1.305 58 N CA -0.261 52.812 53.050 0.039 0.000 0.762 58 N CB 0.794 39.298 38.487 0.029 0.000 1.361 58 N HN -0.132 8.248 8.380 -0.000 0.000 0.545 59 L N 1.878 123.096 121.223 -0.009 0.000 2.089 59 L HA -0.247 4.092 4.340 -0.002 0.000 0.213 59 L C 2.481 179.311 176.870 -0.068 0.000 1.079 59 L CA 1.591 56.397 54.840 -0.057 0.000 0.758 59 L CB -0.195 41.835 42.059 -0.048 0.000 0.891 59 L HN 0.590 8.820 8.230 -0.000 0.000 0.433 60 K N 0.430 120.809 120.400 -0.034 0.000 1.984 60 K HA -0.240 4.079 4.320 -0.002 0.000 0.209 60 K C 2.302 178.898 176.600 -0.007 0.000 1.046 60 K CA 1.560 57.830 56.287 -0.028 0.000 0.934 60 K CB -0.163 32.327 32.500 -0.017 0.000 0.717 60 K HN 0.030 8.280 8.250 -0.000 0.000 0.438 61 R N 0.136 120.649 120.500 0.022 0.000 2.152 61 R HA -0.093 4.246 4.340 -0.002 0.000 0.232 61 R C 2.017 178.382 176.300 0.107 0.000 1.117 61 R CA 1.289 57.438 56.100 0.082 0.000 0.981 61 R CB -0.379 29.958 30.300 0.061 0.000 0.870 61 R HN 0.342 8.612 8.270 -0.000 0.000 0.451 62 A N 0.725 123.572 122.820 0.045 0.000 1.948 62 A HA -0.210 4.109 4.320 -0.002 0.000 0.220 62 A C 1.393 178.979 177.584 0.003 0.000 1.177 62 A CA 2.043 54.091 52.037 0.018 0.000 0.636 62 A CB -0.448 18.489 19.000 -0.105 0.000 0.815 62 A HN 0.580 8.730 8.150 -0.000 0.000 0.449 63 N N -1.049 117.634 118.700 -0.027 0.000 2.203 63 N HA 0.143 4.882 4.740 -0.002 0.000 0.207 63 N C -0.158 175.341 175.510 -0.018 0.000 1.130 63 N CA -0.104 52.921 53.050 -0.041 0.000 0.861 63 N CB 0.440 38.870 38.487 -0.095 0.000 1.005 63 N HN 0.546 8.926 8.380 -0.000 0.000 0.507 64 Q N 0.783 120.590 119.800 0.011 0.000 2.261 64 Q HA 0.540 4.879 4.340 -0.002 0.000 0.252 64 Q C -0.619 175.292 176.000 -0.148 0.000 0.915 64 Q CA -0.469 55.265 55.803 -0.116 0.000 0.915 64 Q CB 1.462 30.101 28.738 -0.165 0.000 1.204 64 Q HN 0.193 8.463 8.270 -0.000 0.000 0.421 65 A N 3.098 125.735 122.820 -0.305 0.000 2.290 65 A HA 0.680 4.998 4.320 -0.002 0.000 0.310 65 A C -1.156 176.228 177.584 -0.333 0.000 1.202 65 A CA -0.308 51.652 52.037 -0.127 0.000 0.837 65 A CB 0.265 19.223 19.000 -0.070 0.000 1.139 65 A HN 0.611 8.761 8.150 -0.000 0.000 0.509 66 F N 0.579 120.680 119.950 0.252 0.000 2.611 66 F HA 0.480 5.006 4.527 -0.002 0.000 0.324 66 F C 0.220 176.226 175.800 0.343 0.000 1.061 66 F CA -0.821 57.338 58.000 0.265 0.000 0.954 66 F CB 1.502 40.644 39.000 0.236 0.000 1.301 66 F HN 0.380 8.680 8.300 -0.000 0.000 0.482 67 L N 4.110 125.616 121.223 0.471 0.000 2.540 67 L HA 0.049 4.388 4.340 -0.002 0.000 0.276 67 L C -1.239 175.956 176.870 0.542 0.000 1.212 67 L CA -1.026 54.041 54.840 0.377 0.000 0.893 67 L CB 0.592 42.805 42.059 0.256 0.000 1.138 67 L HN 0.418 8.648 8.230 -0.000 0.000 0.491 68 P HA -0.148 4.272 4.420 -0.000 0.000 0.223 68 P C 0.860 178.248 177.300 0.146 0.000 1.151 68 P CA 1.266 64.404 63.100 0.064 0.000 0.787 68 P CB 0.228 31.997 31.700 0.114 0.000 0.788 69 A N 0.335 123.343 122.820 0.314 0.000 5.481 69 A HA -0.306 4.013 4.320 -0.002 0.000 0.318 69 A C 1.948 179.758 177.584 0.377 0.000 1.837 69 A CA 2.296 54.554 52.037 0.368 0.000 0.717 69 A CB -2.410 16.797 19.000 0.344 0.000 1.349 69 A HN 0.233 8.383 8.150 -0.000 0.000 0.388 70 S N 0.309 116.175 115.700 0.277 0.000 2.507 70 S HA -0.011 4.458 4.470 -0.002 0.000 0.235 70 S C 1.887 176.488 174.600 0.002 0.000 0.988 70 S CA 1.946 60.221 58.200 0.125 0.000 0.944 70 S CB -0.744 62.535 63.200 0.131 0.000 0.762 70 S HN 1.617 9.927 8.310 -0.000 0.000 0.526 71 T N -0.328 114.228 114.554 0.004 0.000 2.929 71 T HA -0.025 4.324 4.350 -0.002 0.000 0.271 71 T C 0.619 175.256 174.700 -0.105 0.000 1.085 71 T CA 0.326 62.369 62.100 -0.095 0.000 1.125 71 T CB -0.555 68.140 68.868 -0.288 0.000 0.874 71 T HN 0.233 8.473 8.240 -0.000 0.000 0.494 75 P HA -0.119 4.301 4.420 -0.000 0.000 0.217 75 P C 1.012 178.064 177.300 -0.413 0.000 1.151 75 P CA 1.810 64.681 63.100 -0.382 0.000 0.828 75 P CB -0.204 30.897 31.700 -0.998 0.000 0.788 76 N N -0.334 117.911 118.700 -0.759 0.000 2.069 76 N HA -0.118 4.621 4.740 -0.002 0.000 0.191 76 N C 1.854 177.355 175.510 -0.015 0.000 1.031 76 N CA 1.196 54.018 53.050 -0.380 0.000 0.852 76 N CB -0.036 38.230 38.487 -0.367 0.000 1.018 76 N HN -0.024 8.356 8.380 -0.000 0.000 0.423 77 S N 0.843 116.594 115.700 0.084 0.000 2.359 77 S HA -0.105 4.364 4.470 -0.002 0.000 0.224 77 S C 1.963 176.556 174.600 -0.011 0.000 1.035 77 S CA 0.893 59.148 58.200 0.093 0.000 1.018 77 S CB -0.304 62.986 63.200 0.151 0.000 0.876 77 S HN 0.276 8.586 8.310 -0.000 0.000 0.448 78 L N 0.870 122.102 121.223 0.016 0.000 2.083 78 L HA -0.095 4.244 4.340 -0.002 0.000 0.209 78 L C 2.188 179.120 176.870 0.104 0.000 1.083 78 L CA 1.052 55.924 54.840 0.053 0.000 0.752 78 L CB -0.537 41.560 42.059 0.063 0.000 0.899 78 L HN 0.306 8.536 8.230 -0.000 0.000 0.433 79 I N -0.362 120.271 120.570 0.106 0.000 2.163 79 I HA -0.268 3.901 4.170 -0.002 0.000 0.240 79 I C 2.819 178.918 176.117 -0.030 0.000 1.081 79 I CA 1.131 62.464 61.300 0.054 0.000 1.353 79 I CB -0.509 37.497 38.000 0.011 0.000 1.054 79 I HN 0.195 8.405 8.210 -0.000 0.000 0.407 80 A N 0.996 123.750 122.820 -0.109 0.000 1.908 80 A HA -0.194 4.125 4.320 -0.002 0.000 0.218 80 A C 2.307 179.761 177.584 -0.217 0.000 1.181 80 A CA 1.600 53.479 52.037 -0.263 0.000 0.627 80 A CB -0.891 17.736 19.000 -0.621 0.000 0.818 80 A HN 0.381 8.531 8.150 -0.000 0.000 0.445 81 L N -1.076 120.057 121.223 -0.151 0.000 2.027 81 L HA -0.168 4.171 4.340 -0.002 0.000 0.206 81 L C 2.389 179.234 176.870 -0.042 0.000 1.074 81 L CA 1.810 56.596 54.840 -0.089 0.000 0.745 81 L CB -0.436 41.592 42.059 -0.053 0.000 0.898 81 L HN 0.441 8.671 8.230 -0.000 0.000 0.433 82 D N -0.294 120.100 120.400 -0.010 0.000 2.183 82 D HA -0.138 4.501 4.640 -0.002 0.000 0.203 82 D C 2.289 178.590 176.300 0.000 0.000 0.969 82 D CA 0.863 54.873 54.000 0.016 0.000 0.842 82 D CB 0.148 40.986 40.800 0.063 0.000 0.957 82 D HN 0.166 8.536 8.370 -0.000 0.000 0.484 83 L N -1.171 120.041 121.223 -0.018 0.000 2.109 83 L HA 0.151 4.490 4.340 -0.002 0.000 0.207 83 L C 1.859 178.713 176.870 -0.025 0.000 1.086 83 L CA 1.091 55.918 54.840 -0.021 0.000 0.760 83 L CB -0.100 41.942 42.059 -0.028 0.000 0.910 83 L HN 0.388 8.618 8.230 -0.000 0.000 0.437 84 G N -1.765 107.009 108.800 -0.043 0.000 2.205 84 G HA2 -0.222 3.737 3.960 -0.002 0.000 0.180 84 G HA3 -0.222 3.737 3.960 -0.002 0.000 0.180 84 G C 0.685 175.553 174.900 -0.054 0.000 1.004 84 G CA 0.144 45.222 45.100 -0.037 0.000 0.670 84 G HN 0.033 8.323 8.290 -0.000 0.000 0.496 85 V N 0.108 119.963 119.914 -0.098 0.000 2.343 85 V HA 0.006 4.125 4.120 -0.002 0.000 0.247 85 V C 1.664 177.648 176.094 -0.182 0.000 1.051 85 V CA 1.879 64.097 62.300 -0.137 0.000 1.036 85 V CB -0.133 31.572 31.823 -0.197 0.000 0.654 85 V HN 0.312 8.502 8.190 -0.000 0.000 0.451 86 V N 0.396 120.157 119.914 -0.255 0.000 2.370 86 V HA 0.226 4.345 4.120 -0.002 0.000 0.279 86 V C 1.022 177.088 176.094 -0.046 0.000 1.029 86 V CA -0.483 61.735 62.300 -0.137 0.000 0.870 86 V CB 1.414 33.084 31.823 -0.255 0.000 0.984 86 V HN 0.275 8.465 8.190 -0.000 0.000 0.451 87 K N 2.310 122.716 120.400 0.011 0.000 2.001 87 K HA -0.019 4.300 4.320 -0.002 0.000 0.208 87 K C 0.181 176.785 176.600 0.007 0.000 1.048 87 K CA 1.807 58.098 56.287 0.007 0.000 0.932 87 K CB 0.179 32.687 32.500 0.013 0.000 0.715 87 K HN 1.027 9.277 8.250 -0.000 0.000 0.437 88 D N -2.453 117.955 120.400 0.014 0.000 2.779 88 D HA -0.056 4.583 4.640 -0.002 0.000 0.331 88 D C -0.255 176.037 176.300 -0.014 0.000 1.331 88 D CA -0.729 53.277 54.000 0.010 0.000 0.866 88 D CB 0.237 41.071 40.800 0.058 0.000 1.409 88 D HN -0.078 8.292 8.370 -0.000 0.000 0.486 89 E N -0.402 119.738 120.200 -0.100 0.000 2.494 89 E HA -0.033 4.316 4.350 -0.002 0.000 0.193 89 E C 0.032 176.471 176.600 -0.268 0.000 1.074 89 E CA 0.713 57.018 56.400 -0.159 0.000 0.867 89 E CB -0.420 29.159 29.700 -0.202 0.000 0.924 89 E HN 0.661 9.021 8.360 -0.000 0.000 0.502 90 H N -0.040 119.017 119.070 -0.021 0.000 2.885 90 H HA 0.164 4.719 4.556 -0.002 0.000 0.260 90 H C 0.562 175.807 175.328 -0.139 0.000 0.985 90 H CA -0.247 55.770 56.048 -0.052 0.000 1.210 90 H CB 0.545 30.285 29.762 -0.037 0.000 1.466 90 H HN 0.096 8.376 8.280 -0.000 0.000 0.493 91 Q N 2.343 122.081 119.800 -0.103 0.000 2.283 91 Q HA 0.013 4.352 4.340 -0.002 0.000 0.301 91 Q C -0.432 175.180 176.000 -0.646 0.000 1.063 91 Q CA -0.068 55.549 55.803 -0.311 0.000 0.952 91 Q CB 0.716 29.275 28.738 -0.299 0.000 1.166 91 Q HN 0.186 8.456 8.270 -0.000 0.000 0.381 92 V N 6.286 125.919 119.914 -0.469 0.000 2.432 92 V HA 0.389 4.508 4.120 -0.002 0.000 0.275 92 V C -1.202 174.632 176.094 -0.433 0.000 1.043 92 V CA -0.364 61.698 62.300 -0.397 0.000 0.925 92 V CB 0.363 32.110 31.823 -0.127 0.000 0.985 92 V HN 0.685 8.875 8.190 -0.000 0.000 0.466 93 F N 6.536 126.567 119.950 0.135 0.000 2.332 93 F HA 0.508 5.033 4.527 -0.002 0.000 0.368 93 F C 0.551 176.438 175.800 0.146 0.000 1.110 93 F CA -0.732 57.351 58.000 0.139 0.000 1.087 93 F CB 1.027 40.123 39.000 0.160 0.000 1.235 93 F HN 0.315 8.615 8.300 -0.000 0.000 0.470 94 K N 2.651 123.201 120.400 0.250 0.000 2.326 94 K HA -0.024 4.295 4.320 -0.002 0.000 0.275 94 K C -0.154 176.617 176.600 0.286 0.000 1.018 94 K CA -0.410 56.010 56.287 0.222 0.000 0.962 94 K CB 0.711 33.303 32.500 0.154 0.000 0.953 94 K HN 0.709 8.959 8.250 -0.000 0.000 0.475 95 W N 3.675 125.039 121.300 0.107 0.000 2.317 95 W HA -0.153 4.506 4.660 -0.001 0.000 0.350 95 W C 1.016 177.585 176.519 0.084 0.000 1.258 95 W CA 0.644 58.052 57.345 0.105 0.000 1.336 95 W CB 0.372 29.887 29.460 0.092 0.000 1.201 95 W HN 0.699 8.879 8.180 -0.000 0.000 0.599 96 D N 0.903 121.010 120.400 -0.488 0.000 2.433 96 D HA 0.167 4.805 4.640 -0.002 0.000 0.211 96 D C 1.365 177.166 176.300 -0.832 0.000 1.114 96 D CA 0.462 54.172 54.000 -0.483 0.000 0.837 96 D CB -0.103 40.571 40.800 -0.211 0.000 0.984 96 D HN 0.785 9.155 8.370 -0.000 0.000 0.505 97 G N 0.351 108.002 108.800 -1.915 0.000 2.141 97 G HA2 -0.283 3.676 3.960 -0.002 0.000 0.231 97 G HA3 -0.283 3.676 3.960 -0.002 0.000 0.231 97 G C -0.074 174.329 174.900 -0.828 0.000 0.984 97 G CA 0.089 44.182 45.100 -1.679 0.000 0.660 97 G HN 0.525 8.815 8.290 -0.000 0.000 0.525 98 Q N 0.445 119.954 119.800 -0.485 0.000 2.293 98 Q HA 0.634 4.973 4.340 -0.002 0.000 0.261 98 Q C -0.061 176.241 176.000 0.504 0.000 0.960 98 Q CA -0.259 55.586 55.803 0.070 0.000 0.882 98 Q CB 1.284 30.054 28.738 0.054 0.000 1.275 98 Q HN 0.144 8.414 8.270 -0.000 0.000 0.445 99 T N 2.876 117.677 114.554 0.411 0.000 2.882 99 T HA 0.565 4.913 4.350 -0.002 0.000 0.287 99 T C -0.559 174.286 174.700 0.241 0.000 0.992 99 T CA -0.177 62.149 62.100 0.376 0.000 1.076 99 T CB 0.482 69.501 68.868 0.253 0.000 0.961 99 T HN 0.557 8.797 8.240 -0.000 0.000 0.490 100 R N 1.519 122.128 120.500 0.182 0.000 2.885 100 R HA 0.421 4.760 4.340 -0.002 0.000 0.260 100 R C 0.254 176.524 176.300 -0.050 0.000 1.107 100 R CA -0.905 55.247 56.100 0.086 0.000 0.978 100 R CB 0.859 31.263 30.300 0.174 0.000 1.227 100 R HN 0.477 8.747 8.270 -0.000 0.000 0.473 101 D N 0.343 120.657 120.400 -0.143 0.000 2.305 101 D HA 0.078 4.717 4.640 -0.002 0.000 0.206 101 D C 0.385 176.540 176.300 -0.242 0.000 0.974 101 D CA 0.875 54.781 54.000 -0.157 0.000 0.871 101 D CB 0.423 41.148 40.800 -0.125 0.000 0.947 101 D HN 0.284 8.654 8.370 -0.000 0.000 0.516 102 I N 1.665 121.967 120.570 -0.446 0.000 2.396 102 I HA 0.074 4.243 4.170 -0.002 0.000 0.289 102 I C 1.589 177.485 176.117 -0.369 0.000 1.056 102 I CA -0.532 60.458 61.300 -0.517 0.000 1.365 102 I CB 1.779 39.184 38.000 -0.991 0.000 1.407 102 I HN -0.149 8.061 8.210 -0.000 0.000 0.509 103 A N 4.901 127.590 122.820 -0.218 0.000 1.859 103 A HA -0.247 4.071 4.320 -0.002 0.000 0.217 103 A C 2.349 179.867 177.584 -0.110 0.000 1.198 103 A CA 2.653 54.599 52.037 -0.151 0.000 0.629 103 A CB -1.174 17.749 19.000 -0.129 0.000 0.830 103 A HN 0.815 8.965 8.150 -0.000 0.000 0.446 104 T N -4.421 110.079 114.554 -0.091 0.000 2.869 104 T HA -0.216 4.133 4.350 -0.002 0.000 0.270 104 T C 1.437 176.360 174.700 0.371 0.000 1.082 104 T CA 1.433 63.529 62.100 -0.007 0.000 1.123 104 T CB -0.517 68.210 68.868 -0.234 0.000 0.856 104 T HN 0.555 8.795 8.240 -0.000 0.000 0.499 105 W N 2.311 123.625 121.300 0.023 0.000 2.436 105 W HA 0.276 4.935 4.660 -0.002 0.000 0.284 105 W C 0.527 177.066 176.519 0.034 0.000 1.225 105 W CA -0.494 56.902 57.345 0.085 0.000 1.271 105 W CB -0.802 28.710 29.460 0.087 0.000 1.114 105 W HN 0.248 8.428 8.180 -0.000 0.000 0.559 106 N N 1.364 120.047 118.700 -0.028 0.000 3.034 106 N HA 0.467 5.206 4.740 -0.002 0.000 0.265 106 N C 0.340 175.300 175.510 -0.916 0.000 1.166 106 N CA 0.360 52.909 53.050 -0.835 0.000 1.081 106 N CB -0.102 37.929 38.487 -0.761 0.000 1.378 106 N HN 0.123 8.503 8.380 -0.000 0.000 0.520 107 R N -0.141 120.045 120.500 -0.523 0.000 3.429 107 R HA 0.145 4.484 4.340 -0.002 0.000 0.277 107 R C -1.708 174.600 176.300 0.013 0.000 0.978 107 R CA -0.892 55.085 56.100 -0.205 0.000 0.891 107 R CB -0.268 29.881 30.300 -0.253 0.000 1.299 107 R HN 0.302 8.572 8.270 -0.000 0.000 0.541 108 D N 2.017 122.410 120.400 -0.011 0.000 2.400 108 D HA 0.388 5.027 4.640 -0.002 0.000 0.238 108 D C -0.250 175.958 176.300 -0.153 0.000 1.157 108 D CA 0.462 54.486 54.000 0.040 0.000 0.889 108 D CB 0.521 41.340 40.800 0.032 0.000 1.199 108 D HN 0.493 8.863 8.370 -0.000 0.000 0.436 109 H N 0.048 119.232 119.070 0.190 0.000 2.961 109 H HA 0.243 4.798 4.556 -0.002 0.000 0.371 109 H C -0.183 175.277 175.328 0.219 0.000 1.190 109 H CA -0.669 55.512 56.048 0.221 0.000 1.138 109 H CB 2.115 32.035 29.762 0.262 0.000 1.816 109 H HN 0.507 8.787 8.280 -0.000 0.000 0.551 110 N N 1.087 119.976 118.700 0.315 0.000 2.525 110 N HA 0.089 4.827 4.740 -0.002 0.000 0.288 110 N C 0.835 176.591 175.510 0.411 0.000 1.242 110 N CA -0.719 52.457 53.050 0.210 0.000 0.905 110 N CB 2.076 40.598 38.487 0.058 0.000 1.258 110 N HN 0.237 8.617 8.380 -0.000 0.000 0.551 111 L N 0.517 122.000 121.223 0.433 0.000 2.064 111 L HA -0.232 4.107 4.340 -0.002 0.000 0.216 111 L C 2.017 179.042 176.870 0.258 0.000 1.077 111 L CA 1.700 56.761 54.840 0.370 0.000 0.766 111 L CB -0.574 41.629 42.059 0.241 0.000 0.890 111 L HN 0.671 8.901 8.230 -0.000 0.000 0.435 112 I N -0.921 119.753 120.570 0.173 0.000 2.202 112 I HA -0.233 3.936 4.170 -0.002 0.000 0.242 112 I C 2.439 178.648 176.117 0.153 0.000 1.091 112 I CA 1.924 63.296 61.300 0.120 0.000 1.368 112 I CB -1.845 36.192 38.000 0.061 0.000 1.058 112 I HN 0.492 8.702 8.210 -0.000 0.000 0.410 113 T N -0.577 114.131 114.554 0.255 0.000 2.942 113 T HA 0.091 4.440 4.350 -0.002 0.000 0.265 113 T C 2.062 176.980 174.700 0.364 0.000 1.062 113 T CA 0.844 63.187 62.100 0.405 0.000 1.139 113 T CB -0.361 68.895 68.868 0.646 0.000 0.883 113 T HN 0.253 8.493 8.240 -0.000 0.000 0.468 114 A N 1.184 124.179 122.820 0.292 0.000 1.933 114 A HA 0.151 4.470 4.320 -0.002 0.000 0.218 114 A C 2.424 180.097 177.584 0.150 0.000 1.175 114 A CA 1.563 53.677 52.037 0.128 0.000 0.628 114 A CB -0.721 18.440 19.000 0.269 0.000 0.814 114 A HN 0.537 8.687 8.150 -0.000 0.000 0.444 115 M N -1.411 118.294 119.600 0.175 0.000 2.248 115 M HA -0.019 4.460 4.480 -0.002 0.000 0.265 115 M C 2.187 178.482 176.300 -0.008 0.000 1.079 115 M CA 1.540 56.876 55.300 0.060 0.000 1.150 115 M CB -0.078 32.568 32.600 0.078 0.000 1.366 115 M HN 0.429 8.719 8.290 -0.000 0.000 0.433 116 K N -0.268 120.099 120.400 -0.054 0.000 2.059 116 K HA -0.226 4.093 4.320 -0.002 0.000 0.212 116 K C 1.084 177.491 176.600 -0.323 0.000 1.050 116 K CA 1.938 58.077 56.287 -0.247 0.000 0.927 116 K CB -0.093 32.141 32.500 -0.443 0.000 0.714 116 K HN 0.356 8.606 8.250 -0.000 0.000 0.447 117 Y N 0.056 120.414 120.300 0.097 0.000 2.457 117 Y HA 0.221 4.770 4.550 -0.002 0.000 0.263 117 Y C 0.475 176.494 175.900 0.199 0.000 1.164 117 Y CA 0.011 58.198 58.100 0.145 0.000 1.274 117 Y CB 0.563 39.129 38.460 0.177 0.000 1.097 117 Y HN -0.095 8.185 8.280 -0.000 0.000 0.523 118 S N 0.238 116.034 115.700 0.161 0.000 3.711 118 S HA -0.129 4.340 4.470 -0.002 0.000 0.374 118 S C -0.174 174.413 174.600 -0.021 0.000 0.969 118 S CA 0.254 58.502 58.200 0.081 0.000 1.198 118 S CB -1.651 61.665 63.200 0.194 0.000 0.903 118 S HN 0.137 8.447 8.310 -0.000 0.000 0.493 119 V N 2.448 122.207 119.914 -0.258 0.000 2.276 119 V HA 0.070 4.189 4.120 -0.002 0.000 0.249 119 V C 1.689 177.350 176.094 -0.722 0.000 1.160 119 V CA 0.048 61.849 62.300 -0.832 0.000 1.042 119 V CB 0.731 32.156 31.823 -0.662 0.000 1.224 119 V HN 0.518 8.708 8.190 -0.000 0.000 0.496 120 V N 6.633 125.959 119.914 -0.980 0.000 2.250 120 V HA -0.214 3.905 4.120 -0.002 0.000 0.250 120 V C 0.094 175.990 176.094 -0.330 0.000 1.060 120 V CA 2.566 64.576 62.300 -0.483 0.000 1.030 120 V CB -1.486 30.102 31.823 -0.392 0.000 0.643 120 V HN 0.688 8.878 8.190 -0.000 0.000 0.445 121 P HA -0.161 4.259 4.420 -0.000 0.000 0.216 121 P C 1.919 179.098 177.300 -0.203 0.000 1.157 121 P CA 1.645 64.629 63.100 -0.193 0.000 0.880 121 P CB -0.147 31.497 31.700 -0.095 0.000 0.791 122 V N -2.023 117.712 119.914 -0.299 0.000 2.295 122 V HA -0.266 3.853 4.120 -0.002 0.000 0.246 122 V C 2.206 177.683 176.094 -1.028 0.000 1.049 122 V CA 1.843 63.828 62.300 -0.524 0.000 1.024 122 V CB -1.439 30.102 31.823 -0.470 0.000 0.648 122 V HN 0.051 8.241 8.190 -0.000 0.000 0.447 123 Y N 0.463 120.246 120.300 -0.862 0.000 2.242 123 Y HA -0.200 4.349 4.550 -0.002 0.000 0.291 123 Y C 2.714 178.440 175.900 -0.291 0.000 1.137 123 Y CA 1.498 59.111 58.100 -0.812 0.000 1.181 123 Y CB -0.408 37.761 38.460 -0.484 0.000 0.989 123 Y HN 0.302 8.582 8.280 -0.000 0.000 0.527 124 Q N -0.327 119.515 119.800 0.069 0.000 2.135 124 Q HA -0.274 4.065 4.340 -0.002 0.000 0.204 124 Q C 2.060 178.106 176.000 0.077 0.000 0.981 124 Q CA 1.798 57.719 55.803 0.197 0.000 0.856 124 Q CB -0.169 28.632 28.738 0.106 0.000 0.902 124 Q HN 0.374 8.644 8.270 -0.000 0.000 0.425 125 E N 0.427 120.579 120.200 -0.080 0.000 2.077 125 E HA -0.165 4.184 4.350 -0.002 0.000 0.193 125 E C 1.504 178.151 176.600 0.079 0.000 0.989 125 E CA 1.147 57.525 56.400 -0.036 0.000 0.800 125 E CB -0.122 29.525 29.700 -0.088 0.000 0.746 125 E HN 0.224 8.584 8.360 -0.000 0.000 0.452 126 F N 0.787 120.633 119.950 -0.173 0.000 2.095 126 F HA -0.088 4.438 4.527 -0.002 0.000 0.298 126 F C 2.437 178.222 175.800 -0.024 0.000 1.104 126 F CA 1.033 58.930 58.000 -0.172 0.000 1.232 126 F CB -1.654 37.162 39.000 -0.307 0.000 0.987 126 F HN 0.168 8.468 8.300 -0.000 0.000 0.475 127 A N 0.201 123.178 122.820 0.262 0.000 1.902 127 A HA -0.187 4.132 4.320 -0.002 0.000 0.217 127 A C 2.393 180.126 177.584 0.248 0.000 1.181 127 A CA 1.439 53.660 52.037 0.307 0.000 0.623 127 A CB -0.710 18.577 19.000 0.479 0.000 0.818 127 A HN 0.306 8.456 8.150 -0.000 0.000 0.443 128 R N -0.741 119.877 120.500 0.197 0.000 2.096 128 R HA -0.147 4.192 4.340 -0.002 0.000 0.235 128 R C 2.405 178.768 176.300 0.105 0.000 1.127 128 R CA 1.662 57.844 56.100 0.136 0.000 0.968 128 R CB -0.265 30.096 30.300 0.102 0.000 0.861 128 R HN 0.690 8.960 8.270 -0.000 0.000 0.440 129 Q N 0.177 120.041 119.800 0.106 0.000 2.096 129 Q HA -0.051 4.288 4.340 -0.002 0.000 0.197 129 Q C 2.160 178.197 176.000 0.061 0.000 0.964 129 Q CA 1.002 56.850 55.803 0.075 0.000 0.838 129 Q CB 0.029 28.807 28.738 0.068 0.000 0.906 129 Q HN 0.310 8.580 8.270 -0.000 0.000 0.444 130 I N 0.288 120.904 120.570 0.077 0.000 2.163 130 I HA -0.180 3.989 4.170 -0.002 0.000 0.243 130 I C 1.227 177.381 176.117 0.061 0.000 1.085 130 I CA 1.103 62.441 61.300 0.062 0.000 1.347 130 I CB -0.692 37.360 38.000 0.087 0.000 1.044 130 I HN 0.315 8.525 8.210 -0.000 0.000 0.408 131 G N 0.431 109.284 108.800 0.088 0.000 2.781 131 G HA2 -0.284 3.675 3.960 -0.002 0.000 0.683 131 G HA3 -0.284 3.675 3.960 -0.002 0.000 0.683 131 G C 0.387 175.316 174.900 0.049 0.000 1.390 131 G CA 0.160 45.300 45.100 0.067 0.000 0.850 131 G HN 0.396 8.686 8.290 -0.000 0.000 0.557 132 E N 0.018 120.229 120.200 0.019 0.000 2.077 132 E HA 0.006 4.355 4.350 -0.002 0.000 0.193 132 E C 2.806 179.379 176.600 -0.046 0.000 0.989 132 E CA 2.013 58.394 56.400 -0.032 0.000 0.800 132 E CB -0.254 29.417 29.700 -0.048 0.000 0.746 132 E HN 1.033 9.393 8.360 -0.000 0.000 0.452 133 A N 1.103 123.907 122.820 -0.027 0.000 1.873 133 A HA -0.130 4.189 4.320 -0.002 0.000 0.215 133 A C 2.167 179.734 177.584 -0.029 0.000 1.186 133 A CA 1.360 53.377 52.037 -0.032 0.000 0.616 133 A CB -0.383 18.603 19.000 -0.022 0.000 0.823 133 A HN 0.152 8.302 8.150 -0.000 0.000 0.442 134 R N -1.758 118.732 120.500 -0.016 0.000 2.075 134 R HA -0.100 4.239 4.340 -0.002 0.000 0.232 134 R C 2.223 178.506 176.300 -0.028 0.000 1.126 134 R CA 1.590 57.679 56.100 -0.019 0.000 0.963 134 R CB -0.409 29.887 30.300 -0.007 0.000 0.858 134 R HN 0.539 8.809 8.270 -0.000 0.000 0.435 135 M N 0.650 120.250 119.600 0.000 0.000 2.073 135 M HA -0.212 4.267 4.480 -0.002 0.000 0.258 135 M C 2.333 178.620 176.300 -0.021 0.000 1.070 135 M CA 2.035 57.351 55.300 0.028 0.000 1.103 135 M CB -0.490 32.161 32.600 0.085 0.000 1.321 135 M HN 0.056 8.346 8.290 -0.000 0.000 0.405 136 S N -0.792 114.871 115.700 -0.062 0.000 2.382 136 S HA -0.200 4.269 4.470 -0.002 0.000 0.228 136 S C 2.045 176.630 174.600 -0.025 0.000 1.027 136 S CA 1.894 60.056 58.200 -0.065 0.000 0.991 136 S CB -0.385 62.757 63.200 -0.096 0.000 0.823 136 S HN 0.513 8.823 8.310 -0.000 0.000 0.469 137 K N 0.857 121.238 120.400 -0.033 0.000 2.057 137 K HA 0.114 4.433 4.320 -0.002 0.000 0.206 137 K C 2.240 178.811 176.600 -0.048 0.000 1.050 137 K CA 1.630 57.916 56.287 -0.003 0.000 0.935 137 K CB -0.365 32.128 32.500 -0.012 0.000 0.715 137 K HN 0.377 8.627 8.250 -0.000 0.000 0.439 138 M N 0.093 119.592 119.600 -0.169 0.000 2.117 138 M HA -0.134 4.345 4.480 -0.002 0.000 0.262 138 M C 2.064 177.983 176.300 -0.634 0.000 1.065 138 M CA 1.464 56.478 55.300 -0.476 0.000 1.114 138 M CB -0.383 31.902 32.600 -0.525 0.000 1.361 138 M HN 0.168 8.458 8.290 -0.000 0.000 0.408 139 L N -1.358 119.715 121.223 -0.249 0.000 2.083 139 L HA -0.255 4.084 4.340 -0.002 0.000 0.209 139 L C 2.659 179.602 176.870 0.122 0.000 1.083 139 L CA 1.229 56.067 54.840 -0.003 0.000 0.752 139 L CB -1.071 41.094 42.059 0.177 0.000 0.899 139 L HN 0.443 8.673 8.230 -0.000 0.000 0.433 140 H N 0.384 119.451 119.070 -0.004 0.000 2.319 140 H HA -0.231 4.324 4.556 -0.002 0.000 0.297 140 H C 2.146 177.510 175.328 0.060 0.000 1.097 140 H CA 1.613 57.681 56.048 0.033 0.000 1.285 140 H CB 0.354 30.121 29.762 0.009 0.000 1.368 140 H HN 0.363 8.643 8.280 -0.000 0.000 0.495 141 A N 0.531 123.321 122.820 -0.049 0.000 1.972 141 A HA -0.123 4.196 4.320 -0.002 0.000 0.219 141 A C 2.205 179.879 177.584 0.149 0.000 1.169 141 A CA 1.057 53.099 52.037 0.007 0.000 0.635 141 A CB -1.044 17.980 19.000 0.040 0.000 0.810 141 A HN 0.533 8.683 8.150 -0.000 0.000 0.446 142 F N -1.300 118.685 119.950 0.058 0.000 2.780 142 F HA 0.044 4.570 4.527 -0.002 0.000 0.299 142 F C 0.916 176.804 175.800 0.146 0.000 1.146 142 F CA 0.298 58.371 58.000 0.121 0.000 1.428 142 F CB 0.086 39.252 39.000 0.277 0.000 1.115 142 F HN 0.324 8.624 8.300 -0.000 0.000 0.583 143 D N 0.213 120.762 120.400 0.248 0.000 2.746 143 D HA -0.310 4.329 4.640 -0.002 0.000 0.236 143 D C -0.525 175.896 176.300 0.202 0.000 1.129 143 D CA 0.357 54.450 54.000 0.155 0.000 0.691 143 D CB -1.798 39.054 40.800 0.086 0.000 1.077 143 D HN 0.440 8.810 8.370 -0.000 0.000 0.432 144 Y N 0.453 120.836 120.300 0.137 0.000 2.504 144 Y HA 0.452 5.001 4.550 -0.002 0.000 0.351 144 Y C 1.535 177.471 175.900 0.059 0.000 0.988 144 Y CA 0.961 59.101 58.100 0.068 0.000 1.239 144 Y CB 0.246 38.733 38.460 0.045 0.000 1.128 144 Y HN 0.347 8.627 8.280 -0.000 0.000 0.525 145 G N 5.124 113.691 108.800 -0.389 0.000 2.634 145 G HA2 -0.464 3.495 3.960 -0.002 0.000 0.309 145 G HA3 -0.464 3.495 3.960 -0.002 0.000 0.309 145 G C 0.779 175.656 174.900 -0.037 0.000 1.265 145 G CA 0.790 45.740 45.100 -0.250 0.000 0.998 145 G HN 1.053 9.343 8.290 -0.000 0.000 0.551 146 N N 0.999 119.710 118.700 0.018 0.000 2.322 146 N HA 0.200 4.939 4.740 -0.002 0.000 0.194 146 N C 0.650 176.216 175.510 0.093 0.000 1.126 146 N CA 0.970 54.051 53.050 0.052 0.000 0.845 146 N CB 0.095 38.605 38.487 0.038 0.000 0.976 146 N HN 0.842 9.222 8.380 -0.000 0.000 0.475 147 E N -0.112 120.179 120.200 0.152 0.000 2.805 147 E HA -0.236 4.113 4.350 -0.002 0.000 0.266 147 E C -0.954 175.707 176.600 0.102 0.000 1.092 147 E CA 0.844 57.352 56.400 0.180 0.000 0.781 147 E CB -1.099 28.714 29.700 0.189 0.000 1.379 147 E HN 0.503 8.863 8.360 -0.000 0.000 0.433 148 D N 0.690 121.142 120.400 0.086 0.000 2.412 148 D HA 0.192 4.830 4.640 -0.002 0.000 0.224 148 D C 0.713 177.008 176.300 -0.008 0.000 1.093 148 D CA -0.510 53.504 54.000 0.023 0.000 0.850 148 D CB 0.506 41.324 40.800 0.030 0.000 1.046 148 D HN 0.345 8.715 8.370 -0.000 0.000 0.507 149 I N 1.134 121.608 120.570 -0.159 0.000 3.883 149 I HA 0.163 4.332 4.170 -0.002 0.000 0.326 149 I C 0.377 176.294 176.117 -0.333 0.000 1.283 149 I CA -0.532 60.481 61.300 -0.477 0.000 1.161 149 I CB -0.091 37.300 38.000 -1.015 0.000 1.012 149 I HN 0.172 8.382 8.210 -0.000 0.000 0.421 150 S N 1.290 116.907 115.700 -0.138 0.000 2.571 150 S HA 0.435 4.904 4.470 -0.002 0.000 0.298 150 S C 0.584 175.175 174.600 -0.015 0.000 1.280 150 S CA 0.194 58.350 58.200 -0.073 0.000 1.052 150 S CB 0.157 63.333 63.200 -0.039 0.000 0.799 150 S HN 1.148 9.458 8.310 -0.000 0.000 0.501 151 G N 2.066 110.862 108.800 -0.008 0.000 2.362 151 G HA2 -0.067 3.892 3.960 -0.002 0.000 0.517 151 G HA3 -0.067 3.892 3.960 -0.002 0.000 0.517 151 G C -1.224 173.697 174.900 0.035 0.000 1.256 151 G CA -0.798 44.316 45.100 0.023 0.000 1.027 151 G HN 0.875 9.165 8.290 -0.000 0.000 0.491 152 N N 0.136 118.861 118.700 0.042 0.000 2.497 152 N HA 0.202 4.941 4.740 -0.002 0.000 0.268 152 N C 1.383 176.994 175.510 0.167 0.000 1.171 152 N CA 0.334 53.416 53.050 0.052 0.000 0.948 152 N CB 1.887 40.372 38.487 -0.003 0.000 1.069 152 N HN 0.768 9.148 8.380 -0.000 0.000 0.460 153 V N 1.502 121.522 119.914 0.177 0.000 3.026 153 V HA -0.185 3.934 4.120 -0.002 0.000 0.265 153 V C 1.083 177.462 176.094 0.475 0.000 1.121 153 V CA 1.795 64.300 62.300 0.341 0.000 1.142 153 V CB -0.419 31.520 31.823 0.192 0.000 0.730 153 V HN 0.701 8.891 8.190 -0.000 0.000 0.503 154 D N -1.034 119.500 120.400 0.224 0.000 2.395 154 D HA 0.070 4.709 4.640 -0.002 0.000 0.213 154 D C 1.222 177.312 176.300 -0.349 0.000 1.110 154 D CA 0.955 55.035 54.000 0.133 0.000 0.835 154 D CB 0.327 41.195 40.800 0.113 0.000 0.965 154 D HN 0.621 8.991 8.370 -0.000 0.000 0.505 155 S N -0.842 114.537 115.700 -0.535 0.000 2.904 155 S HA 0.066 4.535 4.470 -0.002 0.000 0.260 155 S C 1.253 175.334 174.600 -0.865 0.000 1.000 155 S CA -0.438 57.173 58.200 -0.981 0.000 1.274 155 S CB -1.641 61.258 63.200 -0.502 0.000 1.196 155 S HN 0.150 8.460 8.310 -0.000 0.000 0.678 156 F N 2.259 121.932 119.950 -0.462 0.000 2.192 156 F HA -0.012 4.514 4.527 -0.002 0.000 0.301 156 F C 1.791 177.471 175.800 -0.202 0.000 1.079 156 F CA 1.102 58.970 58.000 -0.220 0.000 1.303 156 F CB -1.456 37.504 39.000 -0.067 0.000 1.024 156 F HN 0.515 8.815 8.300 -0.000 0.000 0.494 157 W N -0.339 120.443 121.300 -0.863 0.000 2.937 157 W HA 0.239 4.898 4.660 -0.002 0.000 0.245 157 W C 0.745 177.122 176.519 -0.237 0.000 1.306 157 W CA 0.028 56.995 57.345 -0.630 0.000 1.470 157 W CB -0.496 28.386 29.460 -0.963 0.000 1.132 157 W HN -0.016 8.164 8.180 -0.000 0.000 0.675 158 L N 1.046 121.912 121.223 -0.594 0.000 2.547 158 L HA 0.153 4.492 4.340 -0.002 0.000 0.218 158 L C 1.047 177.799 176.870 -0.197 0.000 1.048 158 L CA 1.399 56.020 54.840 -0.365 0.000 0.859 158 L CB -0.910 40.832 42.059 -0.528 0.000 1.128 158 L HN 0.143 8.373 8.230 -0.000 0.000 0.483 159 D N -2.513 117.760 120.400 -0.210 0.000 2.516 159 D HA 0.215 4.854 4.640 -0.002 0.000 0.241 159 D C 0.939 177.208 176.300 -0.051 0.000 1.246 159 D CA 0.394 54.331 54.000 -0.106 0.000 0.808 159 D CB -0.040 40.693 40.800 -0.113 0.000 1.147 159 D HN 0.062 8.432 8.370 -0.000 0.000 0.527 160 G N -0.144 108.642 108.800 -0.024 0.000 2.849 160 G HA2 0.452 4.411 3.960 -0.002 0.000 0.174 160 G HA3 0.452 4.411 3.960 -0.002 0.000 0.174 160 G C 0.945 175.884 174.900 0.065 0.000 1.370 160 G CA -0.311 44.815 45.100 0.043 0.000 1.040 160 G HN 0.117 8.407 8.290 -0.000 0.000 0.582 161 G N -0.966 107.884 108.800 0.084 0.000 2.777 161 G HA2 0.171 4.130 3.960 -0.002 0.000 0.211 161 G HA3 0.171 4.130 3.960 -0.002 0.000 0.211 161 G C 0.722 175.678 174.900 0.092 0.000 1.149 161 G CA -0.187 44.952 45.100 0.064 0.000 0.785 161 G HN 0.458 8.748 8.290 -0.000 0.000 0.536 162 I N 1.288 121.951 120.570 0.155 0.000 2.648 162 I HA 0.292 4.461 4.170 -0.002 0.000 0.284 162 I C -0.397 175.811 176.117 0.151 0.000 1.153 162 I CA -0.255 61.155 61.300 0.183 0.000 1.426 162 I CB 0.435 38.607 38.000 0.288 0.000 1.381 162 I HN -0.063 8.147 8.210 -0.000 0.000 0.571 163 R N 7.874 128.450 120.500 0.127 0.000 2.626 163 R HA 0.592 4.931 4.340 -0.002 0.000 0.274 163 R C -1.458 174.884 176.300 0.069 0.000 1.031 163 R CA -0.765 55.404 56.100 0.115 0.000 0.898 163 R CB 1.907 32.243 30.300 0.061 0.000 1.222 163 R HN 0.685 8.955 8.270 -0.000 0.000 0.455 164 I N 0.997 121.639 120.570 0.121 0.000 2.692 164 I HA 0.283 4.452 4.170 -0.002 0.000 0.293 164 I C -0.165 176.116 176.117 0.274 0.000 1.200 164 I CA -0.341 60.978 61.300 0.031 0.000 1.036 164 I CB 2.268 40.108 38.000 -0.266 0.000 1.258 164 I HN 0.798 9.008 8.210 -0.000 0.000 0.421 165 S N 5.239 121.057 115.700 0.196 0.000 2.672 165 S HA 0.570 5.039 4.470 -0.002 0.000 0.276 165 S C 1.128 175.955 174.600 0.379 0.000 1.207 165 S CA 0.080 58.472 58.200 0.321 0.000 1.002 165 S CB 1.834 65.117 63.200 0.138 0.000 0.998 165 S HN 0.809 9.119 8.310 -0.000 0.000 0.542 166 A N 1.582 124.673 122.820 0.451 0.000 1.892 166 A HA -0.098 4.221 4.320 -0.002 0.000 0.218 166 A C 2.425 180.163 177.584 0.256 0.000 1.188 166 A CA 2.517 54.812 52.037 0.429 0.000 0.631 166 A CB -2.134 17.074 19.000 0.347 0.000 0.822 166 A HN 1.255 9.405 8.150 -0.000 0.000 0.447 167 T N -2.325 112.302 114.554 0.122 0.000 2.867 167 T HA -0.107 4.242 4.350 -0.002 0.000 0.268 167 T C 1.591 176.325 174.700 0.057 0.000 1.057 167 T CA 1.490 63.620 62.100 0.050 0.000 1.136 167 T CB -0.374 68.400 68.868 -0.157 0.000 0.874 167 T HN 0.628 8.868 8.240 -0.000 0.000 0.466 168 E N 0.738 120.961 120.200 0.038 0.000 2.106 168 E HA -0.117 4.232 4.350 -0.002 0.000 0.192 168 E C 2.702 179.299 176.600 -0.006 0.000 0.984 168 E CA 0.869 57.262 56.400 -0.011 0.000 0.806 168 E CB -0.085 29.577 29.700 -0.063 0.000 0.750 168 E HN 0.528 8.888 8.360 -0.000 0.000 0.458 169 Q N 0.484 120.298 119.800 0.024 0.000 2.030 169 Q HA -0.197 4.142 4.340 -0.002 0.000 0.204 169 Q C 2.375 178.460 176.000 0.141 0.000 0.986 169 Q CA 1.215 57.052 55.803 0.057 0.000 0.843 169 Q CB -0.317 28.448 28.738 0.046 0.000 0.904 169 Q HN 0.402 8.672 8.270 -0.000 0.000 0.420 170 I N 0.697 121.341 120.570 0.123 0.000 2.163 170 I HA -0.307 3.862 4.170 -0.002 0.000 0.243 170 I C 2.416 178.455 176.117 -0.130 0.000 1.085 170 I CA 1.133 62.464 61.300 0.052 0.000 1.347 170 I CB -0.338 37.739 38.000 0.130 0.000 1.044 170 I HN 0.086 8.296 8.210 -0.000 0.000 0.408 171 S N 0.665 116.299 115.700 -0.109 0.000 2.365 171 S HA -0.249 4.220 4.470 -0.002 0.000 0.225 171 S C 1.878 176.426 174.600 -0.086 0.000 1.039 171 S CA 1.758 59.861 58.200 -0.162 0.000 1.033 171 S CB -0.606 62.537 63.200 -0.095 0.000 0.887 171 S HN 0.466 8.776 8.310 -0.000 0.000 0.447 172 F N 2.092 121.975 119.950 -0.111 0.000 2.069 172 F HA -0.125 4.401 4.527 -0.002 0.000 0.298 172 F C 1.898 177.660 175.800 -0.064 0.000 1.113 172 F CA 1.351 59.317 58.000 -0.057 0.000 1.214 172 F CB -0.292 38.731 39.000 0.040 0.000 0.978 172 F HN 0.081 8.381 8.300 -0.000 0.000 0.474 173 L N 0.162 121.335 121.223 -0.083 0.000 2.083 173 L HA -0.214 4.125 4.340 -0.002 0.000 0.209 173 L C 2.674 179.431 176.870 -0.188 0.000 1.083 173 L CA 1.356 56.179 54.840 -0.029 0.000 0.752 173 L CB -0.667 41.587 42.059 0.325 0.000 0.899 173 L HN 0.090 8.320 8.230 -0.000 0.000 0.433 174 R N 0.132 120.340 120.500 -0.487 0.000 2.091 174 R HA -0.174 4.165 4.340 -0.002 0.000 0.238 174 R C 2.323 178.448 176.300 -0.292 0.000 1.136 174 R CA 1.376 57.043 56.100 -0.721 0.000 0.959 174 R CB -0.232 29.578 30.300 -0.817 0.000 0.856 174 R HN 0.370 8.640 8.270 -0.000 0.000 0.437 175 K N 0.422 120.660 120.400 -0.269 0.000 2.097 175 K HA -0.151 4.168 4.320 -0.002 0.000 0.206 175 K C 2.079 178.525 176.600 -0.258 0.000 1.049 175 K CA 1.000 57.159 56.287 -0.214 0.000 0.933 175 K CB -0.213 32.133 32.500 -0.256 0.000 0.717 175 K HN 0.046 8.296 8.250 -0.000 0.000 0.442 176 L N 0.281 121.272 121.223 -0.386 0.000 2.056 176 L HA -0.175 4.164 4.340 -0.002 0.000 0.207 176 L C 2.180 178.922 176.870 -0.212 0.000 1.078 176 L CA 1.556 56.191 54.840 -0.342 0.000 0.749 176 L CB -0.681 41.144 42.059 -0.389 0.000 0.901 176 L HN 0.141 8.371 8.230 -0.000 0.000 0.433 177 Y N -0.413 119.620 120.300 -0.444 0.000 2.151 177 Y HA -0.284 4.265 4.550 -0.002 0.000 0.284 177 Y C 2.215 177.833 175.900 -0.470 0.000 1.166 177 Y CA 2.235 59.935 58.100 -0.666 0.000 1.163 177 Y CB -0.168 37.706 38.460 -0.977 0.000 0.974 177 Y HN 0.367 8.647 8.280 -0.000 0.000 0.511 178 H N 0.190 119.203 119.070 -0.095 0.000 2.539 178 H HA 0.128 4.683 4.556 -0.002 0.000 0.269 178 H C 0.312 175.566 175.328 -0.125 0.000 0.980 178 H CA 0.632 56.630 56.048 -0.083 0.000 1.152 178 H CB -0.148 29.607 29.762 -0.013 0.000 1.407 178 H HN 0.377 8.657 8.280 -0.000 0.000 0.564 179 N N 0.717 119.370 118.700 -0.078 0.000 2.741 179 N HA -0.190 4.549 4.740 -0.002 0.000 0.250 179 N C 0.802 176.290 175.510 -0.038 0.000 1.115 179 N CA 0.729 53.734 53.050 -0.075 0.000 0.724 179 N CB -1.066 37.382 38.487 -0.065 0.000 1.090 179 N HN 0.488 8.868 8.380 -0.000 0.000 0.558 180 K N -0.111 120.263 120.400 -0.044 0.000 2.379 180 K HA 0.180 4.499 4.320 -0.002 0.000 0.194 180 K C 0.894 177.457 176.600 -0.062 0.000 1.031 180 K CA 0.059 56.332 56.287 -0.024 0.000 1.037 180 K CB 0.489 32.973 32.500 -0.027 0.000 0.824 180 K HN 0.218 8.468 8.250 -0.000 0.000 0.516 181 L N 1.491 122.623 121.223 -0.152 0.000 2.483 181 L HA -0.021 4.317 4.340 -0.002 0.000 0.275 181 L C 0.532 177.421 176.870 0.032 0.000 1.220 181 L CA 0.157 54.871 54.840 -0.210 0.000 0.833 181 L CB 0.176 41.974 42.059 -0.434 0.000 1.102 181 L HN 0.237 8.467 8.230 -0.000 0.000 0.490 182 H N 1.267 120.452 119.070 0.191 0.000 3.001 182 H HA 0.239 4.794 4.556 -0.002 0.000 0.248 182 H C -0.117 175.338 175.328 0.212 0.000 1.663 182 H CA -0.743 55.412 56.048 0.178 0.000 1.258 182 H CB -0.205 29.652 29.762 0.158 0.000 1.547 182 H HN 0.374 8.654 8.280 -0.000 0.000 0.557 183 V N -2.416 117.654 119.914 0.259 0.000 3.156 183 V HA 0.508 4.627 4.120 -0.002 0.000 0.311 183 V C 0.472 176.622 176.094 0.094 0.000 1.208 183 V CA -1.264 61.144 62.300 0.180 0.000 1.063 183 V CB 1.661 33.605 31.823 0.201 0.000 1.098 183 V HN 0.361 8.551 8.190 -0.000 0.000 0.452 184 S N -0.939 114.797 115.700 0.061 0.000 2.584 184 S HA 0.174 4.643 4.470 -0.002 0.000 0.270 184 S C 0.928 175.535 174.600 0.011 0.000 1.346 184 S CA 0.743 58.961 58.200 0.031 0.000 1.018 184 S CB 0.691 63.904 63.200 0.022 0.000 0.899 184 S HN 1.032 9.342 8.310 -0.000 0.000 0.542 185 E N 1.028 121.229 120.200 0.001 0.000 2.085 185 E HA -0.236 4.113 4.350 -0.002 0.000 0.194 185 E C 2.261 178.849 176.600 -0.020 0.000 0.994 185 E CA 1.103 57.492 56.400 -0.017 0.000 0.801 185 E CB -0.118 29.571 29.700 -0.018 0.000 0.743 185 E HN 0.766 9.126 8.360 -0.000 0.000 0.453 186 R N 0.063 120.557 120.500 -0.010 0.000 2.091 186 R HA -0.134 4.205 4.340 -0.002 0.000 0.238 186 R C 2.389 178.682 176.300 -0.011 0.000 1.136 186 R CA 1.862 57.957 56.100 -0.009 0.000 0.959 186 R CB -0.179 30.120 30.300 -0.002 0.000 0.856 186 R HN 0.060 8.330 8.270 -0.000 0.000 0.437 187 S N 0.573 116.269 115.700 -0.007 0.000 2.368 187 S HA -0.153 4.316 4.470 -0.002 0.000 0.224 187 S C 1.827 176.414 174.600 -0.022 0.000 1.029 187 S CA 1.282 59.478 58.200 -0.008 0.000 0.988 187 S CB -0.113 63.093 63.200 0.010 0.000 0.838 187 S HN 0.449 8.759 8.310 -0.000 0.000 0.462 188 Q N 0.626 120.405 119.800 -0.036 0.000 2.050 188 Q HA -0.046 4.293 4.340 -0.002 0.000 0.202 188 Q C 2.470 178.448 176.000 -0.036 0.000 0.980 188 Q CA 1.095 56.863 55.803 -0.059 0.000 0.840 188 Q CB -0.168 28.517 28.738 -0.087 0.000 0.898 188 Q HN 0.417 8.687 8.270 -0.000 0.000 0.424 189 R N 0.335 120.816 120.500 -0.032 0.000 2.083 189 R HA -0.122 4.217 4.340 -0.002 0.000 0.237 189 R C 2.318 178.612 176.300 -0.009 0.000 1.137 189 R CA 1.362 57.449 56.100 -0.022 0.000 0.951 189 R CB -0.360 29.925 30.300 -0.024 0.000 0.851 189 R HN 0.297 8.567 8.270 -0.000 0.000 0.434 190 I N 0.245 120.808 120.570 -0.012 0.000 2.179 190 I HA -0.257 3.912 4.170 -0.002 0.000 0.242 190 I C 2.298 178.412 176.117 -0.004 0.000 1.088 190 I CA 1.190 62.483 61.300 -0.012 0.000 1.357 190 I CB -0.371 37.620 38.000 -0.015 0.000 1.051 190 I HN -0.004 8.206 8.210 -0.000 0.000 0.409 191 V N 1.050 120.962 119.914 -0.003 0.000 2.407 191 V HA -0.266 3.853 4.120 -0.002 0.000 0.248 191 V C 2.416 178.509 176.094 -0.001 0.000 1.055 191 V CA 1.798 64.099 62.300 0.003 0.000 1.049 191 V CB -0.680 31.139 31.823 -0.007 0.000 0.662 191 V HN 0.396 8.586 8.190 -0.000 0.000 0.455 192 K N -0.446 119.965 120.400 0.019 0.000 2.148 192 K HA -0.210 4.109 4.320 -0.002 0.000 0.204 192 K C 2.266 178.873 176.600 0.011 0.000 1.050 192 K CA 1.304 57.620 56.287 0.048 0.000 0.942 192 K CB -0.160 32.432 32.500 0.155 0.000 0.724 192 K HN 0.493 8.743 8.250 -0.000 0.000 0.446 193 Q N 0.748 120.553 119.800 0.008 0.000 2.030 193 Q HA -0.199 4.140 4.340 -0.002 0.000 0.204 193 Q C 2.111 178.105 176.000 -0.010 0.000 0.986 193 Q CA 1.776 57.578 55.803 -0.001 0.000 0.843 193 Q CB -0.178 28.557 28.738 -0.006 0.000 0.904 193 Q HN 0.338 8.608 8.270 -0.000 0.000 0.420 194 A N 0.599 123.415 122.820 -0.006 0.000 1.948 194 A HA -0.226 4.093 4.320 -0.002 0.000 0.220 194 A C 1.995 179.569 177.584 -0.018 0.000 1.177 194 A CA 1.880 53.920 52.037 0.005 0.000 0.636 194 A CB -0.602 18.420 19.000 0.037 0.000 0.815 194 A HN 0.510 8.660 8.150 -0.000 0.000 0.449 195 M N -1.047 118.518 119.600 -0.058 0.000 2.476 195 M HA 0.046 4.524 4.480 -0.002 0.000 0.262 195 M C 0.517 176.750 176.300 -0.112 0.000 1.079 195 M CA -0.015 55.214 55.300 -0.119 0.000 1.104 195 M CB -0.368 32.083 32.600 -0.247 0.000 1.409 195 M HN 0.377 8.667 8.290 -0.000 0.000 0.467 196 L N 0.772 121.953 121.223 -0.070 0.000 2.628 196 L HA -0.075 4.264 4.340 -0.002 0.000 0.274 196 L C 0.708 177.575 176.870 -0.004 0.000 1.209 196 L CA 1.235 56.051 54.840 -0.040 0.000 0.930 196 L CB 0.353 42.405 42.059 -0.011 0.000 1.183 196 L HN 0.084 8.314 8.230 -0.000 0.000 0.492 197 T N 3.313 117.885 114.554 0.029 0.000 3.098 197 T HA 0.208 4.557 4.350 -0.002 0.000 0.246 197 T C -0.068 174.696 174.700 0.106 0.000 0.983 197 T CA 0.124 62.279 62.100 0.092 0.000 1.094 197 T CB 0.258 69.251 68.868 0.207 0.000 1.035 197 T HN 0.648 8.888 8.240 -0.000 0.000 0.456 198 E N -0.153 120.126 120.200 0.131 0.000 2.321 198 E HA 0.643 4.992 4.350 -0.002 0.000 0.278 198 E C -1.978 174.671 176.600 0.081 0.000 0.902 198 E CA -0.660 55.818 56.400 0.130 0.000 0.758 198 E CB 2.162 32.017 29.700 0.259 0.000 1.213 198 E HN 0.319 8.679 8.360 -0.000 0.000 0.426 199 A N 3.522 126.322 122.820 -0.033 0.000 2.515 199 A HA 0.760 5.079 4.320 -0.002 0.000 0.298 199 A C -1.261 176.181 177.584 -0.235 0.000 1.059 199 A CA -0.709 51.257 52.037 -0.120 0.000 0.698 199 A CB 1.875 20.852 19.000 -0.039 0.000 1.289 199 A HN 0.561 8.711 8.150 -0.000 0.000 0.404 200 N N -0.684 117.820 118.700 -0.327 0.000 2.732 200 N HA 0.496 5.235 4.740 -0.002 0.000 0.259 200 N C 0.880 176.271 175.510 -0.199 0.000 1.402 200 N CA 0.179 53.020 53.050 -0.348 0.000 0.829 200 N CB 1.940 40.018 38.487 -0.682 0.000 1.495 200 N HN 0.757 9.137 8.380 -0.000 0.000 0.511 201 G N -0.607 108.111 108.800 -0.137 0.000 2.679 201 G HA2 -0.129 3.830 3.960 -0.002 0.000 0.212 201 G HA3 -0.129 3.830 3.960 -0.002 0.000 0.212 201 G C 0.407 175.275 174.900 -0.052 0.000 1.137 201 G CA 0.610 45.667 45.100 -0.072 0.000 0.787 201 G HN 0.501 8.791 8.290 -0.000 0.000 0.534 202 D N -1.149 119.198 120.400 -0.089 0.000 2.566 202 D HA 0.150 4.788 4.640 -0.002 0.000 0.253 202 D C 0.373 176.725 176.300 0.086 0.000 0.992 202 D CA 0.586 54.590 54.000 0.006 0.000 0.940 202 D CB 0.255 41.090 40.800 0.057 0.000 1.095 202 D HN 0.468 8.838 8.370 -0.000 0.000 0.480 203 Y N -0.671 119.642 120.300 0.021 0.000 2.581 203 Y HA 0.670 5.219 4.550 -0.002 0.000 0.345 203 Y C -1.116 174.811 175.900 0.045 0.000 1.036 203 Y CA -1.422 56.700 58.100 0.037 0.000 1.042 203 Y CB 1.058 39.533 38.460 0.025 0.000 1.289 203 Y HN -0.316 7.964 8.280 -0.000 0.000 0.471 204 I N 3.587 124.322 120.570 0.275 0.000 2.433 204 I HA 0.455 4.624 4.170 -0.002 0.000 0.292 204 I C -0.863 175.422 176.117 0.280 0.000 1.001 204 I CA -0.795 60.641 61.300 0.226 0.000 1.119 204 I CB 1.909 40.002 38.000 0.155 0.000 1.289 204 I HN 0.557 8.767 8.210 -0.000 0.000 0.438 205 I N 6.122 126.838 120.570 0.244 0.000 2.362 205 I HA 0.402 4.571 4.170 -0.002 0.000 0.289 205 I C -0.178 175.896 176.117 -0.072 0.000 0.994 205 I CA -0.490 60.870 61.300 0.101 0.000 1.158 205 I CB 1.077 39.182 38.000 0.175 0.000 1.315 205 I HN 0.437 8.647 8.210 -0.000 0.000 0.451 206 R N 5.696 125.960 120.500 -0.393 0.000 2.310 206 R HA 0.852 5.191 4.340 -0.002 0.000 0.324 206 R C -0.835 175.015 176.300 -0.751 0.000 0.955 206 R CA -0.542 55.193 56.100 -0.608 0.000 0.830 206 R CB 1.918 31.658 30.300 -0.933 0.000 1.154 206 R HN 0.725 8.995 8.270 -0.000 0.000 0.458 207 A N 2.467 125.036 122.820 -0.419 0.000 2.599 207 A HA 0.685 5.004 4.320 -0.002 0.000 0.290 207 A C -1.656 175.865 177.584 -0.104 0.000 1.101 207 A CA -0.743 51.063 52.037 -0.385 0.000 0.674 207 A CB 2.048 20.753 19.000 -0.491 0.000 1.277 207 A HN 0.441 8.591 8.150 -0.000 0.000 0.419 208 K N 0.401 120.782 120.400 -0.032 0.000 2.513 208 K HA 0.629 4.948 4.320 -0.002 0.000 0.251 208 K C -0.171 176.643 176.600 0.357 0.000 0.939 208 K CA 0.320 56.681 56.287 0.125 0.000 0.793 208 K CB 1.595 34.096 32.500 0.002 0.000 1.241 208 K HN 1.066 9.316 8.250 -0.000 0.000 0.431 209 T N -0.251 114.541 114.554 0.396 0.000 2.847 209 T HA 0.828 5.177 4.350 -0.002 0.000 0.279 209 T C 0.365 175.252 174.700 0.312 0.000 0.984 209 T CA -0.436 61.907 62.100 0.406 0.000 0.988 209 T CB 1.422 70.406 68.868 0.193 0.000 1.040 209 T HN 0.618 8.858 8.240 -0.000 0.000 0.528 210 G N -0.628 108.400 108.800 0.380 0.000 2.720 210 G HA2 0.524 4.483 3.960 -0.002 0.000 0.295 210 G HA3 0.524 4.483 3.960 -0.002 0.000 0.295 210 G C -2.286 172.907 174.900 0.487 0.000 1.437 210 G CA -0.914 44.431 45.100 0.409 0.000 0.886 210 G HN 0.886 9.176 8.290 -0.000 0.000 0.509 211 Y N 1.418 121.878 120.300 0.267 0.000 2.317 211 Y HA 0.573 5.122 4.550 -0.002 0.000 0.325 211 Y C -0.316 175.698 175.900 0.191 0.000 1.066 211 Y CA -0.804 57.412 58.100 0.194 0.000 1.203 211 Y CB 1.894 40.434 38.460 0.133 0.000 1.127 211 Y HN 0.596 8.876 8.280 -0.000 0.000 0.451 212 S N 3.305 119.134 115.700 0.216 0.000 2.422 212 S HA 0.297 4.765 4.470 -0.002 0.000 0.298 212 S C 0.608 175.114 174.600 -0.156 0.000 1.118 212 S CA 0.266 58.504 58.200 0.063 0.000 1.083 212 S CB 0.641 63.959 63.200 0.197 0.000 0.971 212 S HN 0.887 9.197 8.310 -0.000 0.000 0.478 213 T N 2.572 116.984 114.554 -0.238 0.000 3.010 213 T HA 0.236 4.585 4.350 -0.002 0.000 0.252 213 T C 1.575 176.200 174.700 -0.124 0.000 0.963 213 T CA -0.396 61.546 62.100 -0.262 0.000 0.952 213 T CB -0.191 68.424 68.868 -0.422 0.000 1.182 213 T HN 0.492 8.732 8.240 -0.000 0.000 0.495 214 R N 0.627 121.069 120.500 -0.097 0.000 2.127 214 R HA 0.216 4.555 4.340 -0.002 0.000 0.238 214 R C 0.139 176.415 176.300 -0.039 0.000 1.134 214 R CA 0.979 57.040 56.100 -0.066 0.000 0.975 214 R CB -0.243 30.013 30.300 -0.074 0.000 0.865 214 R HN 0.438 8.708 8.270 -0.000 0.000 0.447 215 I N 0.477 121.036 120.570 -0.019 0.000 2.730 215 I HA 0.131 4.299 4.170 -0.002 0.000 0.298 215 I C -0.423 175.710 176.117 0.026 0.000 1.089 215 I CA -1.011 60.292 61.300 0.005 0.000 1.041 215 I CB 2.437 40.447 38.000 0.016 0.000 1.235 215 I HN -0.125 8.085 8.210 -0.000 0.000 0.423 216 E N 5.166 125.382 120.200 0.028 0.000 2.354 216 E HA 0.287 4.636 4.350 -0.002 0.000 0.269 216 E C -2.242 174.404 176.600 0.076 0.000 1.036 216 E CA -1.454 54.973 56.400 0.044 0.000 0.876 216 E CB 0.192 29.910 29.700 0.030 0.000 1.009 216 E HN 0.271 8.631 8.360 -0.000 0.000 0.416 217 P HA 0.266 4.686 4.420 -0.000 0.000 0.288 217 P C -0.880 176.466 177.300 0.078 0.000 1.267 217 P CA -0.643 62.512 63.100 0.091 0.000 0.815 217 P CB 0.792 32.560 31.700 0.113 0.000 0.989 218 K N 2.470 122.899 120.400 0.048 0.000 2.412 218 K HA 0.335 4.653 4.320 -0.002 0.000 0.284 218 K C 0.503 177.140 176.600 0.062 0.000 1.046 218 K CA 0.055 56.368 56.287 0.044 0.000 0.999 218 K CB -0.244 32.281 32.500 0.042 0.000 0.941 218 K HN 0.520 8.770 8.250 -0.000 0.000 0.474 219 I N -1.889 118.720 120.570 0.065 0.000 2.969 219 I HA 0.689 4.858 4.170 -0.002 0.000 0.307 219 I C -0.361 175.819 176.117 0.105 0.000 1.149 219 I CA -1.112 60.164 61.300 -0.039 0.000 1.008 219 I CB 2.451 40.235 38.000 -0.359 0.000 1.232 219 I HN 0.483 8.693 8.210 -0.000 0.000 0.435 220 G N 2.527 111.318 108.800 -0.015 0.000 2.461 220 G HA2 0.580 4.539 3.960 -0.002 0.000 0.323 220 G HA3 0.580 4.539 3.960 -0.002 0.000 0.323 220 G C -2.102 172.811 174.900 0.022 0.000 1.229 220 G CA -0.552 44.593 45.100 0.075 0.000 0.941 220 G HN 0.685 8.975 8.290 -0.000 0.000 0.477 221 W N 0.525 121.922 121.300 0.161 0.000 2.516 221 W HA 0.688 5.347 4.660 -0.002 0.000 0.343 221 W C -0.990 175.738 176.519 0.349 0.000 1.094 221 W CA -0.647 56.826 57.345 0.213 0.000 1.250 221 W CB 2.339 31.925 29.460 0.211 0.000 1.308 221 W HN 0.453 8.633 8.180 -0.000 0.000 0.588 222 W N 4.232 125.823 121.300 0.486 0.000 3.036 222 W HA 0.516 5.175 4.660 -0.001 0.000 0.337 222 W C -1.578 175.231 176.519 0.483 0.000 1.055 222 W CA -1.514 56.081 57.345 0.417 0.000 1.248 222 W CB 0.847 30.516 29.460 0.349 0.000 1.335 222 W HN 0.225 8.405 8.180 -0.000 0.000 0.446 223 V N 4.504 124.473 119.914 0.090 0.000 2.735 223 V HA 1.084 5.203 4.120 -0.002 0.000 0.310 223 V C -0.036 175.576 176.094 -0.803 0.000 1.061 223 V CA 0.104 62.232 62.300 -0.287 0.000 0.913 223 V CB 1.225 33.021 31.823 -0.045 0.000 1.005 223 V HN 1.137 9.327 8.190 -0.000 0.000 0.428 224 G N 2.740 110.789 108.800 -1.251 0.000 2.566 224 G HA2 0.475 4.434 3.960 -0.002 0.000 0.138 224 G HA3 0.475 4.434 3.960 -0.002 0.000 0.138 224 G C -1.593 172.865 174.900 -0.737 0.000 1.133 224 G CA 0.169 44.647 45.100 -1.036 0.000 1.037 224 G HN 2.133 10.423 8.290 -0.000 0.000 0.491 225 W N -1.241 119.730 121.300 -0.548 0.000 3.153 225 W HA 0.700 5.359 4.660 -0.002 0.000 0.316 225 W C -1.358 175.148 176.519 -0.023 0.000 1.255 225 W CA -1.015 56.148 57.345 -0.304 0.000 1.192 225 W CB 1.167 30.222 29.460 -0.675 0.000 1.400 225 W HN 1.063 9.243 8.180 -0.000 0.000 0.568 226 V N 1.605 121.708 119.914 0.314 0.000 2.384 226 V HA 0.534 4.653 4.120 -0.002 0.000 0.287 226 V C -0.529 175.715 176.094 0.251 0.000 1.020 226 V CA -0.531 61.915 62.300 0.242 0.000 0.850 226 V CB 1.316 33.190 31.823 0.086 0.000 0.987 226 V HN 0.654 8.844 8.190 -0.000 0.000 0.436 227 E N 6.803 127.180 120.200 0.295 0.000 2.194 227 E HA 0.495 4.844 4.350 -0.002 0.000 0.284 227 E C -0.621 176.099 176.600 0.200 0.000 1.035 227 E CA -0.255 56.283 56.400 0.229 0.000 0.836 227 E CB 1.650 31.523 29.700 0.288 0.000 1.070 227 E HN 0.689 9.049 8.360 -0.000 0.000 0.401 228 L N 2.076 123.398 121.223 0.165 0.000 2.347 228 L HA 0.236 4.575 4.340 -0.002 0.000 0.268 228 L C 1.059 177.996 176.870 0.112 0.000 1.019 228 L CA -0.929 54.002 54.840 0.152 0.000 0.806 228 L CB 0.798 42.957 42.059 0.167 0.000 1.339 228 L HN 0.477 8.707 8.230 -0.000 0.000 0.463 229 D N 0.421 120.876 120.400 0.092 0.000 2.133 229 D HA -0.195 4.444 4.640 -0.002 0.000 0.195 229 D C 1.145 177.484 176.300 0.064 0.000 0.997 229 D CA 1.884 55.926 54.000 0.070 0.000 0.840 229 D CB 0.039 40.872 40.800 0.056 0.000 0.947 229 D HN 0.635 9.005 8.370 -0.000 0.000 0.452 230 D N -1.674 118.766 120.400 0.066 0.000 2.454 230 D HA 0.037 4.676 4.640 -0.002 0.000 0.214 230 D C 0.589 176.910 176.300 0.034 0.000 1.088 230 D CA -0.080 53.950 54.000 0.050 0.000 0.855 230 D CB 0.512 41.340 40.800 0.048 0.000 1.025 230 D HN 0.173 8.543 8.370 -0.000 0.000 0.502 231 N N -0.982 117.741 118.700 0.040 0.000 3.229 231 N HA 0.468 5.207 4.740 -0.002 0.000 0.315 231 N C -2.085 173.381 175.510 -0.074 0.000 1.520 231 N CA -0.901 52.129 53.050 -0.034 0.000 0.769 231 N CB 3.016 41.477 38.487 -0.043 0.000 1.766 231 N HN -0.129 8.251 8.380 -0.000 0.000 0.618 232 V N 1.162 120.927 119.914 -0.250 0.000 2.668 232 V HA 0.515 4.634 4.120 -0.002 0.000 0.304 232 V C -1.931 173.890 176.094 -0.454 0.000 1.071 232 V CA -0.474 61.605 62.300 -0.368 0.000 0.894 232 V CB 0.945 32.265 31.823 -0.838 0.000 1.008 232 V HN 0.658 8.848 8.190 -0.000 0.000 0.425 233 W N 6.503 127.686 121.300 -0.196 0.000 2.291 233 W HA 0.641 5.300 4.660 -0.001 0.000 0.312 233 W C -0.246 176.260 176.519 -0.022 0.000 1.061 233 W CA -0.684 56.644 57.345 -0.028 0.000 1.296 233 W CB 1.007 30.494 29.460 0.045 0.000 1.223 233 W HN 0.458 8.638 8.180 -0.000 0.000 0.421 234 F N 4.635 124.812 119.950 0.378 0.000 2.418 234 F HA 0.411 4.937 4.527 -0.002 0.000 0.341 234 F C 0.378 176.472 175.800 0.489 0.000 1.120 234 F CA -0.495 57.721 58.000 0.359 0.000 1.232 234 F CB 0.215 39.368 39.000 0.255 0.000 1.175 234 F HN 0.156 8.456 8.300 -0.000 0.000 0.569 235 F N 0.268 120.471 119.950 0.422 0.000 2.631 235 F HA 0.903 5.429 4.527 -0.002 0.000 0.308 235 F C -1.336 174.630 175.800 0.278 0.000 1.097 235 F CA -1.681 56.511 58.000 0.321 0.000 0.952 235 F CB 1.427 40.514 39.000 0.146 0.000 1.307 235 F HN 0.597 8.897 8.300 -0.000 0.000 0.450 236 A N 4.110 127.242 122.820 0.520 0.000 2.465 236 A HA 0.782 5.101 4.320 -0.002 0.000 0.292 236 A C -1.320 176.593 177.584 0.550 0.000 1.041 236 A CA -0.475 51.844 52.037 0.470 0.000 0.718 236 A CB 1.366 20.610 19.000 0.408 0.000 1.266 236 A HN 1.409 9.558 8.150 -0.000 0.000 0.403 237 M N 1.427 121.373 119.600 0.577 0.000 2.550 237 M HA 0.892 5.371 4.480 -0.002 0.000 0.292 237 M C -1.014 175.420 176.300 0.223 0.000 1.221 237 M CA -0.588 54.961 55.300 0.415 0.000 0.873 237 M CB 1.898 34.755 32.600 0.429 0.000 1.727 237 M HN 0.806 9.096 8.290 -0.000 0.000 0.459 238 N N 1.547 120.209 118.700 -0.065 0.000 2.484 238 N HA 0.854 5.593 4.740 -0.002 0.000 0.269 238 N C -1.644 173.686 175.510 -0.300 0.000 1.237 238 N CA -0.810 51.975 53.050 -0.441 0.000 0.838 238 N CB 1.853 39.537 38.487 -1.338 0.000 1.593 238 N HN 1.108 9.488 8.380 -0.000 0.000 0.485 239 M N -1.502 117.921 119.600 -0.295 0.000 2.465 239 M HA 0.547 5.026 4.480 -0.002 0.000 0.284 239 M C -1.921 174.277 176.300 -0.171 0.000 1.212 239 M CA -0.903 54.297 55.300 -0.167 0.000 0.910 239 M CB 1.899 34.566 32.600 0.112 0.000 1.725 239 M HN 0.205 8.495 8.290 -0.000 0.000 0.477 240 D N 2.928 123.247 120.400 -0.135 0.000 2.488 240 D HA 0.304 4.943 4.640 -0.002 0.000 0.238 240 D C -0.640 175.657 176.300 -0.004 0.000 1.138 240 D CA 0.700 54.662 54.000 -0.063 0.000 0.873 240 D CB 0.804 41.581 40.800 -0.039 0.000 1.183 240 D HN 0.685 9.055 8.370 -0.000 0.000 0.458 241 M N 4.038 123.663 119.600 0.043 0.000 2.400 241 M HA 0.220 4.699 4.480 -0.002 0.000 0.241 241 M C -2.366 174.025 176.300 0.152 0.000 1.158 241 M CA -1.614 53.741 55.300 0.091 0.000 0.613 241 M CB 1.999 34.687 32.600 0.146 0.000 1.615 241 M HN 0.002 8.292 8.290 -0.000 0.000 0.371 242 P HA 0.031 4.451 4.420 -0.000 0.000 0.223 242 P C 0.224 177.585 177.300 0.101 0.000 1.151 242 P CA 0.844 63.992 63.100 0.081 0.000 0.787 242 P CB 0.296 32.025 31.700 0.049 0.000 0.788 243 T N -1.397 113.220 114.554 0.105 0.000 2.909 243 T HA 0.303 4.652 4.350 -0.002 0.000 0.299 243 T C 0.981 175.745 174.700 0.106 0.000 1.073 243 T CA -0.166 61.999 62.100 0.109 0.000 0.999 243 T CB 1.154 70.052 68.868 0.050 0.000 1.098 243 T HN -0.104 8.136 8.240 -0.000 0.000 0.477 244 S N 2.134 117.923 115.700 0.148 0.000 2.584 244 S HA -0.085 4.384 4.470 -0.002 0.000 0.240 244 S C 1.197 175.745 174.600 -0.087 0.000 0.975 244 S CA 1.194 59.412 58.200 0.029 0.000 0.949 244 S CB -0.358 62.932 63.200 0.149 0.000 0.761 244 S HN 0.713 9.023 8.310 -0.000 0.000 0.536 245 D N 2.119 122.490 120.400 -0.049 0.000 2.178 245 D HA 0.056 4.694 4.640 -0.002 0.000 0.202 245 D C 1.808 178.046 176.300 -0.104 0.000 0.974 245 D CA 1.330 55.292 54.000 -0.064 0.000 0.841 245 D CB -0.650 40.130 40.800 -0.033 0.000 0.953 245 D HN 0.585 8.955 8.370 -0.000 0.000 0.478 246 G N -0.552 108.174 108.800 -0.123 0.000 3.284 246 G HA2 0.066 4.024 3.960 -0.002 0.000 0.236 246 G HA3 0.066 4.024 3.960 -0.002 0.000 0.236 246 G C 1.465 176.238 174.900 -0.211 0.000 1.158 246 G CA -0.244 44.769 45.100 -0.146 0.000 0.774 246 G HN 0.211 8.501 8.290 -0.000 0.000 0.545 247 L N 0.735 121.799 121.223 -0.265 0.000 2.012 247 L HA -0.039 4.300 4.340 -0.002 0.000 0.210 247 L C 3.125 179.834 176.870 -0.269 0.000 1.073 247 L CA 1.285 55.928 54.840 -0.328 0.000 0.748 247 L CB -0.553 41.282 42.059 -0.374 0.000 0.891 247 L HN 0.310 8.540 8.230 -0.000 0.000 0.431 248 G N 0.553 109.210 108.800 -0.238 0.000 2.606 248 G HA2 -0.293 3.665 3.960 -0.002 0.000 0.223 248 G HA3 -0.293 3.665 3.960 -0.002 0.000 0.223 248 G C 1.509 176.234 174.900 -0.291 0.000 1.106 248 G CA 1.206 46.157 45.100 -0.248 0.000 0.745 248 G HN 0.370 8.660 8.290 -0.000 0.000 0.597 249 L N -0.607 120.442 121.223 -0.290 0.000 2.201 249 L HA 0.008 4.346 4.340 -0.002 0.000 0.212 249 L C 2.993 179.705 176.870 -0.263 0.000 1.105 249 L CA 0.757 55.399 54.840 -0.330 0.000 0.775 249 L CB -0.538 41.316 42.059 -0.341 0.000 0.913 249 L HN 0.152 8.382 8.230 -0.000 0.000 0.440 250 R N 0.576 120.941 120.500 -0.224 0.000 2.133 250 R HA -0.260 4.079 4.340 -0.002 0.000 0.245 250 R C 2.341 178.492 176.300 -0.249 0.000 1.137 250 R CA 2.108 58.112 56.100 -0.160 0.000 0.947 250 R CB -0.402 29.808 30.300 -0.149 0.000 0.865 250 R HN 0.396 8.666 8.270 -0.000 0.000 0.437 251 Q N -0.488 118.995 119.800 -0.528 0.000 2.163 251 Q HA 0.110 4.449 4.340 -0.002 0.000 0.198 251 Q C 2.062 177.854 176.000 -0.347 0.000 0.954 251 Q CA 1.178 56.581 55.803 -0.667 0.000 0.851 251 Q CB -0.103 28.066 28.738 -0.947 0.000 0.928 251 Q HN 0.362 8.632 8.270 -0.000 0.000 0.459 252 A N 1.038 123.665 122.820 -0.321 0.000 1.859 252 A HA -0.252 4.067 4.320 -0.002 0.000 0.218 252 A C 2.084 179.512 177.584 -0.260 0.000 1.209 252 A CA 1.834 53.714 52.037 -0.262 0.000 0.639 252 A CB -0.991 17.838 19.000 -0.285 0.000 0.835 252 A HN 0.360 8.510 8.150 -0.000 0.000 0.450 253 I N -0.648 119.750 120.570 -0.287 0.000 2.226 253 I HA -0.228 3.941 4.170 -0.002 0.000 0.245 253 I C 2.591 178.480 176.117 -0.380 0.000 1.100 253 I CA 1.774 62.859 61.300 -0.358 0.000 1.374 253 I CB -0.679 37.013 38.000 -0.514 0.000 1.057 253 I HN 0.293 8.503 8.210 -0.000 0.000 0.413 254 T N 0.747 115.150 114.554 -0.252 0.000 2.788 254 T HA -0.160 4.189 4.350 -0.002 0.000 0.268 254 T C 1.879 176.368 174.700 -0.352 0.000 1.044 254 T CA 1.132 63.084 62.100 -0.247 0.000 1.139 254 T CB -0.139 68.691 68.868 -0.063 0.000 0.867 254 T HN 0.300 8.540 8.240 -0.000 0.000 0.454 255 K N 0.861 121.085 120.400 -0.294 0.000 2.147 255 K HA -0.079 4.240 4.320 -0.002 0.000 0.205 255 K C 2.306 178.684 176.600 -0.369 0.000 1.049 255 K CA 0.925 57.023 56.287 -0.314 0.000 0.936 255 K CB -0.070 32.292 32.500 -0.230 0.000 0.722 255 K HN 0.466 8.716 8.250 -0.000 0.000 0.446 256 E N 0.752 120.690 120.200 -0.438 0.000 2.107 256 E HA -0.107 4.242 4.350 -0.002 0.000 0.191 256 E C 2.236 178.460 176.600 -0.626 0.000 0.982 256 E CA 0.761 56.832 56.400 -0.549 0.000 0.809 256 E CB -0.355 28.884 29.700 -0.768 0.000 0.756 256 E HN 0.042 8.402 8.360 -0.000 0.000 0.459 257 V N 2.080 121.577 119.914 -0.695 0.000 2.407 257 V HA -0.229 3.890 4.120 -0.002 0.000 0.248 257 V C 2.511 178.231 176.094 -0.623 0.000 1.055 257 V CA 1.347 63.200 62.300 -0.745 0.000 1.049 257 V CB -0.553 30.681 31.823 -0.981 0.000 0.662 257 V HN 0.193 8.383 8.190 -0.000 0.000 0.455 258 L N -0.781 120.119 121.223 -0.538 0.000 2.093 258 L HA -0.179 4.160 4.340 -0.002 0.000 0.208 258 L C 2.531 179.162 176.870 -0.398 0.000 1.085 258 L CA 1.609 56.157 54.840 -0.486 0.000 0.755 258 L CB -0.591 41.184 42.059 -0.474 0.000 0.904 258 L HN 0.289 8.519 8.230 -0.000 0.000 0.435 259 K N 0.091 120.287 120.400 -0.340 0.000 1.967 259 K HA -0.237 4.082 4.320 -0.002 0.000 0.212 259 K C 2.100 178.573 176.600 -0.211 0.000 1.044 259 K CA 1.561 57.701 56.287 -0.244 0.000 0.942 259 K CB -0.271 32.106 32.500 -0.204 0.000 0.726 259 K HN 0.179 8.429 8.250 -0.000 0.000 0.440 260 Q N 1.010 120.691 119.800 -0.198 0.000 2.197 260 Q HA -0.245 4.094 4.340 -0.002 0.000 0.211 260 Q C 1.093 177.023 176.000 -0.116 0.000 0.993 260 Q CA 1.772 57.513 55.803 -0.103 0.000 0.883 260 Q CB 0.067 28.801 28.738 -0.006 0.000 0.916 260 Q HN 0.175 8.445 8.270 -0.000 0.000 0.418 261 E N 0.004 120.072 120.200 -0.220 0.000 2.489 261 E HA -0.036 4.313 4.350 -0.002 0.000 0.193 261 E C -0.062 176.359 176.600 -0.299 0.000 1.057 261 E CA 0.292 56.536 56.400 -0.261 0.000 0.866 261 E CB 0.473 29.934 29.700 -0.400 0.000 0.916 261 E HN 0.359 8.719 8.360 -0.000 0.000 0.500 262 K N -0.707 119.550 120.400 -0.240 0.000 3.274 262 K HA -0.222 4.097 4.320 -0.002 0.000 0.300 262 K C 1.162 177.611 176.600 -0.252 0.000 1.230 262 K CA 0.806 56.975 56.287 -0.198 0.000 0.884 262 K CB -2.481 29.940 32.500 -0.131 0.000 1.242 262 K HN 0.264 8.514 8.250 -0.000 0.000 0.467 263 I N 0.942 121.271 120.570 -0.401 0.000 2.353 263 I HA -0.072 4.097 4.170 -0.002 0.000 0.248 263 I C 1.456 177.414 176.117 -0.264 0.000 1.119 263 I CA 1.037 62.048 61.300 -0.481 0.000 1.417 263 I CB 0.011 37.500 38.000 -0.852 0.000 1.078 263 I HN 0.255 8.465 8.210 -0.000 0.000 0.421 264 I N -1.600 118.820 120.570 -0.250 0.000 2.436 264 I HA 0.549 4.718 4.170 -0.002 0.000 0.289 264 I C -2.612 173.455 176.117 -0.083 0.000 1.010 264 I CA -2.289 58.929 61.300 -0.137 0.000 1.098 264 I CB 1.104 38.944 38.000 -0.267 0.000 1.266 264 I HN -0.258 7.952 8.210 -0.000 0.000 0.434 265 P HA 0.000 4.420 4.420 -0.000 0.000 0.216 265 P CA 0.000 63.091 63.100 -0.014 0.000 0.800 265 P CB 0.000 31.708 31.700 0.013 0.000 0.726