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 1qur_1_H DATA FIRST_RESID 16 DATA SEQUENCE IVEGSDAEIG MSPWQVMLFR SPQELLcGAS LISDRWVLTA AHcLTENDLL DATA SEQUENCE VRIGKHSRTR YRNIEKISML EKIYIHPRYN WENLDRDIAL MKLKKPVAFS DATA SEQUENCE DYIHPVCLPD RETLLQAGYK GRVTGWGNLK ETWKGQPSVL QVVNLPIVER DATA SEQUENCE PVcKDSTRIR ITDNMFcAYK KRGDAcEGDS GGPFVMKSNN RWYQMGIVSW DATA SEQUENCE GEXGcRDGKY GFYTHVFRLK KWIQKVIDQF 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 16 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 16 I C 0.000 176.130 176.117 0.021 0.000 1.063 16 I CA 0.000 61.317 61.300 0.028 0.000 1.566 16 I CB 0.000 38.000 38.000 0.001 0.000 1.214 17 V N 5.547 125.485 119.914 0.040 0.000 2.427 17 V HA 0.501 4.572 4.120 -0.081 0.000 0.286 17 V C 0.643 176.761 176.094 0.040 0.000 1.034 17 V CA -0.363 61.957 62.300 0.034 0.000 0.893 17 V CB 1.436 33.287 31.823 0.046 0.000 0.982 17 V HN 0.852 9.042 8.190 -0.000 0.000 0.452 18 E N 1.582 121.797 120.200 0.025 0.000 2.553 18 E HA -0.166 4.135 4.350 -0.081 0.000 0.264 18 E C 0.443 177.061 176.600 0.031 0.000 1.068 18 E CA 1.007 57.424 56.400 0.027 0.000 0.774 18 E CB -1.224 28.501 29.700 0.042 0.000 1.349 18 E HN 1.018 9.378 8.360 -0.000 0.000 0.404 19 G N -0.237 108.572 108.800 0.016 0.000 2.828 19 G HA2 0.744 4.656 3.960 -0.081 0.000 0.244 19 G HA3 0.744 4.656 3.960 -0.081 0.000 0.244 19 G C -0.116 174.782 174.900 -0.004 0.000 1.365 19 G CA 0.326 45.433 45.100 0.011 0.000 1.041 19 G HN 0.383 8.673 8.290 -0.000 0.000 0.560 20 S N -1.274 114.417 115.700 -0.014 0.000 2.618 20 S HA 0.502 4.924 4.470 -0.081 0.000 0.277 20 S C -1.551 173.031 174.600 -0.029 0.000 1.138 20 S CA -0.788 57.403 58.200 -0.016 0.000 0.844 20 S CB 1.986 65.183 63.200 -0.006 0.000 1.127 20 S HN 0.342 8.652 8.310 -0.000 0.000 0.474 21 D N 1.547 121.936 120.400 -0.019 0.000 2.488 21 D HA 0.506 5.098 4.640 -0.081 0.000 0.238 21 D C 0.469 176.770 176.300 0.001 0.000 1.138 21 D CA 0.635 54.627 54.000 -0.013 0.000 0.873 21 D CB 0.865 41.676 40.800 0.018 0.000 1.183 21 D HN 0.864 9.234 8.370 -0.000 0.000 0.458 22 A N 2.807 125.633 122.820 0.010 0.000 2.304 22 A HA 0.299 4.571 4.320 -0.081 0.000 0.271 22 A C 0.388 178.029 177.584 0.095 0.000 1.091 22 A CA -0.493 51.554 52.037 0.016 0.000 0.812 22 A CB 0.445 19.424 19.000 -0.034 0.000 1.056 22 A HN 0.558 8.708 8.150 -0.000 0.000 0.489 23 E N 0.096 120.293 120.200 -0.004 0.000 2.318 23 E HA 0.310 4.612 4.350 -0.081 0.000 0.265 23 E C -0.861 175.665 176.600 -0.123 0.000 1.069 23 E CA -0.645 55.725 56.400 -0.050 0.000 0.893 23 E CB 0.783 30.444 29.700 -0.064 0.000 1.076 23 E HN 0.468 8.828 8.360 -0.000 0.000 0.414 24 I N 1.814 122.256 120.570 -0.213 0.000 2.668 24 I HA 0.019 4.141 4.170 -0.081 0.000 0.285 24 I C 1.393 177.440 176.117 -0.117 0.000 1.168 24 I CA 1.355 62.508 61.300 -0.245 0.000 1.424 24 I CB -0.159 37.726 38.000 -0.192 0.000 1.377 24 I HN 0.820 9.030 8.210 -0.000 0.000 0.560 25 G N 5.045 113.798 108.800 -0.078 0.000 2.148 25 G HA2 -0.370 3.541 3.960 -0.081 0.000 0.254 25 G HA3 -0.370 3.541 3.960 -0.081 0.000 0.254 25 G C 1.040 175.774 174.900 -0.278 0.000 0.981 25 G CA 0.573 45.590 45.100 -0.139 0.000 0.670 25 G HN 0.641 8.931 8.290 -0.000 0.000 0.528 26 M N 0.040 119.481 119.600 -0.265 0.000 2.296 26 M HA 0.242 4.673 4.480 -0.081 0.000 0.265 26 M C 1.322 177.272 176.300 -0.583 0.000 1.064 26 M CA 1.990 57.087 55.300 -0.338 0.000 1.109 26 M CB 0.250 32.713 32.600 -0.228 0.000 1.396 26 M HN 0.377 8.667 8.290 -0.000 0.000 0.430 27 S N 0.522 115.840 115.700 -0.635 0.000 2.317 27 S HA 0.341 4.762 4.470 -0.081 0.000 0.144 27 S C -1.984 172.006 174.600 -1.017 0.000 1.660 27 S CA -1.201 56.386 58.200 -1.022 0.000 1.273 27 S CB 0.655 63.515 63.200 -0.566 0.000 1.330 27 S HN 0.251 8.561 8.310 -0.000 0.000 0.395 28 P HA 0.023 4.443 4.420 -0.000 0.000 0.234 28 P C 0.662 177.761 177.300 -0.335 0.000 1.167 28 P CA 0.439 63.215 63.100 -0.540 0.000 0.763 28 P CB -0.290 31.173 31.700 -0.395 0.000 0.835 29 W N -0.869 120.414 121.300 -0.030 0.000 3.197 29 W HA 0.410 5.027 4.660 -0.072 0.000 0.274 29 W C 0.636 177.175 176.519 0.034 0.000 1.297 29 W CA -0.650 56.690 57.345 -0.007 0.000 1.662 29 W CB -1.436 28.008 29.460 -0.027 0.000 1.106 29 W HN -0.152 8.028 8.180 -0.000 0.000 0.663 30 Q N 2.243 122.066 119.800 0.037 0.000 2.289 30 Q HA 0.310 4.601 4.340 -0.081 0.000 0.273 30 Q C -0.739 175.396 176.000 0.226 0.000 1.029 30 Q CA 0.237 56.115 55.803 0.125 0.000 0.896 30 Q CB 0.887 29.585 28.738 -0.066 0.000 1.182 30 Q HN 0.111 8.381 8.270 -0.000 0.000 0.385 31 V N 5.558 125.642 119.914 0.283 0.000 2.769 31 V HA 0.469 4.540 4.120 -0.081 0.000 0.312 31 V C -0.368 175.953 176.094 0.377 0.000 1.061 31 V CA -0.897 61.576 62.300 0.288 0.000 0.931 31 V CB 1.917 33.875 31.823 0.225 0.000 1.010 31 V HN 0.935 9.125 8.190 -0.000 0.000 0.433 32 M N 4.447 124.216 119.600 0.281 0.000 2.227 32 M HA 0.583 5.015 4.480 -0.081 0.000 0.335 32 M C -1.653 174.746 176.300 0.165 0.000 1.053 32 M CA -0.824 54.601 55.300 0.208 0.000 0.973 32 M CB 1.373 33.865 32.600 -0.180 0.000 1.623 32 M HN 0.594 8.884 8.290 -0.000 0.000 0.434 33 L N 6.037 127.376 121.223 0.194 0.000 2.260 33 L HA 0.484 4.776 4.340 -0.081 0.000 0.289 33 L C -1.788 175.213 176.870 0.218 0.000 1.057 33 L CA 0.254 55.198 54.840 0.173 0.000 0.811 33 L CB 0.689 42.830 42.059 0.135 0.000 1.184 33 L HN 0.660 8.890 8.230 -0.000 0.000 0.429 34 F N 5.220 125.176 119.950 0.009 0.000 2.493 34 F HA 0.525 5.015 4.527 -0.062 0.000 0.329 34 F C 0.455 176.253 175.800 -0.003 0.000 1.126 34 F CA -0.584 57.410 58.000 -0.010 0.000 0.937 34 F CB 1.010 39.990 39.000 -0.032 0.000 1.146 34 F HN 0.557 8.857 8.300 -0.000 0.000 0.442 35 R N 1.953 122.214 120.500 -0.399 0.000 2.879 35 R HA 0.277 4.569 4.340 -0.081 0.000 0.219 35 R C -0.291 175.821 176.300 -0.314 0.000 1.167 35 R CA -0.266 55.663 56.100 -0.286 0.000 1.062 35 R CB 0.540 30.678 30.300 -0.270 0.000 1.093 35 R HN 0.609 8.879 8.270 -0.000 0.000 0.510 36 S N 1.556 117.199 115.700 -0.095 0.000 2.481 36 S HA 0.239 4.661 4.470 -0.081 0.000 0.276 36 S C -1.964 172.588 174.600 -0.080 0.000 1.247 36 S CA -1.434 56.717 58.200 -0.081 0.000 1.053 36 S CB 0.525 63.699 63.200 -0.044 0.000 0.925 36 S HN 0.392 8.702 8.310 -0.000 0.000 0.491 37 P HA 0.086 4.506 4.420 -0.000 0.000 0.271 37 P C -0.846 176.346 177.300 -0.180 0.000 1.216 37 P CA -0.319 62.723 63.100 -0.097 0.000 0.771 37 P CB 0.391 32.047 31.700 -0.072 0.000 0.864 38 Q N 2.253 121.948 119.800 -0.174 0.000 2.242 38 Q HA 0.022 4.314 4.340 -0.081 0.000 0.284 38 Q C 0.478 176.212 176.000 -0.443 0.000 1.130 38 Q CA 0.899 56.494 55.803 -0.347 0.000 0.940 38 Q CB 0.077 28.810 28.738 -0.008 0.000 1.146 38 Q HN 0.547 8.817 8.270 -0.000 0.000 0.388 39 E N 1.986 121.697 120.200 -0.816 0.000 2.392 39 E HA 0.333 4.635 4.350 -0.081 0.000 0.279 39 E C -1.576 174.740 176.600 -0.473 0.000 0.964 39 E CA -1.022 55.106 56.400 -0.453 0.000 0.777 39 E CB 0.867 30.439 29.700 -0.213 0.000 1.249 39 E HN 0.304 8.664 8.360 -0.000 0.000 0.449 40 L N 2.778 123.958 121.223 -0.072 0.000 2.360 40 L HA 0.197 4.489 4.340 -0.081 0.000 0.276 40 L C -0.533 176.366 176.870 0.048 0.000 1.121 40 L CA 0.020 54.916 54.840 0.092 0.000 0.845 40 L CB 0.631 42.779 42.059 0.149 0.000 1.143 40 L HN 0.804 9.034 8.230 -0.000 0.000 0.452 41 L N 4.548 125.810 121.223 0.064 0.000 2.349 41 L HA 0.341 4.633 4.340 -0.081 0.000 0.200 41 L C 0.452 177.388 176.870 0.110 0.000 1.064 41 L CA 0.722 55.599 54.840 0.063 0.000 0.821 41 L CB -0.213 41.867 42.059 0.036 0.000 1.027 41 L HN 0.689 8.919 8.230 -0.000 0.000 0.476 42 c N -2.382 116.302 118.600 0.140 0.000 3.249 42 c HA 0.672 5.193 4.570 -0.081 0.000 0.350 42 c C 0.314 174.532 174.090 0.215 0.000 1.431 42 c CA -1.049 55.375 56.329 0.159 0.000 1.209 42 c CB 0.868 43.434 42.510 0.093 0.000 1.546 42 c HN 0.409 8.639 8.230 -0.000 0.000 0.450 43 G N -0.069 108.863 108.800 0.220 0.000 2.511 43 G HA2 0.883 4.794 3.960 -0.081 0.000 0.316 43 G HA3 0.883 4.794 3.960 -0.081 0.000 0.316 43 G C -0.683 174.340 174.900 0.205 0.000 1.210 43 G CA 0.417 45.673 45.100 0.261 0.000 0.969 43 G HN 1.648 9.938 8.290 -0.000 0.000 0.492 44 A N -0.818 122.135 122.820 0.221 0.000 2.511 44 A HA 0.847 5.118 4.320 -0.081 0.000 0.293 44 A C -0.424 177.293 177.584 0.222 0.000 1.098 44 A CA 0.132 52.288 52.037 0.198 0.000 0.643 44 A CB 1.050 20.162 19.000 0.186 0.000 1.302 44 A HN 2.082 10.232 8.150 -0.000 0.000 0.446 45 S N -0.223 115.607 115.700 0.216 0.000 2.549 45 S HA 0.720 5.142 4.470 -0.081 0.000 0.280 45 S C -1.029 173.706 174.600 0.225 0.000 1.109 45 S CA -0.637 57.707 58.200 0.241 0.000 0.905 45 S CB 1.501 64.823 63.200 0.203 0.000 1.081 45 S HN 1.119 9.429 8.310 -0.000 0.000 0.477 46 L N 3.798 125.172 121.223 0.251 0.000 2.260 46 L HA 0.470 4.762 4.340 -0.081 0.000 0.289 46 L C 0.536 177.510 176.870 0.173 0.000 1.057 46 L CA -0.645 54.326 54.840 0.217 0.000 0.811 46 L CB 0.902 43.088 42.059 0.212 0.000 1.184 46 L HN 0.974 9.204 8.230 -0.000 0.000 0.429 47 I N 0.895 121.567 120.570 0.169 0.000 4.057 47 I HA 0.234 4.356 4.170 -0.081 0.000 0.334 47 I C 0.496 176.690 176.117 0.128 0.000 1.308 47 I CA -0.072 61.295 61.300 0.113 0.000 1.125 47 I CB 0.463 38.520 38.000 0.095 0.000 1.034 47 I HN 0.545 8.755 8.210 -0.000 0.000 0.401 48 S N 0.455 116.282 115.700 0.212 0.000 2.683 48 S HA 0.142 4.564 4.470 -0.081 0.000 0.269 48 S C -0.024 174.789 174.600 0.356 0.000 1.165 48 S CA -0.017 58.345 58.200 0.271 0.000 0.840 48 S CB 0.803 64.164 63.200 0.268 0.000 1.169 48 S HN 0.261 8.571 8.310 -0.000 0.000 0.490 49 D N 0.180 120.786 120.400 0.344 0.000 2.310 49 D HA -0.045 4.547 4.640 -0.081 0.000 0.212 49 D C 1.174 177.523 176.300 0.083 0.000 0.965 49 D CA 0.780 54.891 54.000 0.185 0.000 0.879 49 D CB -0.185 40.549 40.800 -0.111 0.000 0.921 49 D HN 0.561 8.931 8.370 -0.000 0.000 0.510 50 R N -1.788 118.753 120.500 0.068 0.000 2.535 50 R HA 0.221 4.513 4.340 -0.081 0.000 0.323 50 R C -0.886 175.222 176.300 -0.319 0.000 0.979 50 R CA -0.436 55.577 56.100 -0.145 0.000 1.120 50 R CB 0.530 30.671 30.300 -0.265 0.000 1.306 50 R HN -0.020 8.250 8.270 -0.000 0.000 0.540 51 W N -0.045 121.290 121.300 0.058 0.000 2.785 51 W HA 0.490 5.102 4.660 -0.080 0.000 0.333 51 W C -0.898 175.670 176.519 0.080 0.000 1.062 51 W CA -0.736 56.641 57.345 0.052 0.000 1.233 51 W CB 1.879 31.343 29.460 0.007 0.000 1.413 51 W HN -0.366 7.814 8.180 -0.000 0.000 0.489 52 V N 4.520 124.643 119.914 0.349 0.000 2.604 52 V HA 0.469 4.541 4.120 -0.081 0.000 0.305 52 V C -0.933 175.325 176.094 0.273 0.000 1.043 52 V CA -1.052 61.406 62.300 0.263 0.000 0.888 52 V CB 1.635 33.578 31.823 0.199 0.000 0.995 52 V HN 0.350 8.540 8.190 -0.000 0.000 0.429 53 L N 4.247 125.606 121.223 0.228 0.000 2.317 53 L HA 0.890 5.181 4.340 -0.081 0.000 0.281 53 L C -0.093 176.890 176.870 0.188 0.000 1.024 53 L CA 0.863 55.830 54.840 0.212 0.000 0.810 53 L CB 1.839 44.010 42.059 0.185 0.000 1.240 53 L HN 0.867 9.097 8.230 -0.000 0.000 0.427 54 T N 2.773 117.430 114.554 0.172 0.000 2.671 54 T HA 0.812 5.114 4.350 -0.081 0.000 0.300 54 T C -1.371 173.369 174.700 0.066 0.000 1.238 54 T CA -0.025 62.146 62.100 0.118 0.000 1.020 54 T CB 1.136 70.063 68.868 0.099 0.000 1.503 54 T HN 0.866 9.106 8.240 -0.000 0.000 0.497 55 A N 0.586 123.388 122.820 -0.030 0.000 2.327 55 A HA 0.724 4.996 4.320 -0.081 0.000 0.283 55 A C 1.461 178.912 177.584 -0.221 0.000 1.127 55 A CA 0.261 52.225 52.037 -0.121 0.000 0.810 55 A CB 0.307 19.163 19.000 -0.241 0.000 1.066 55 A HN 1.204 9.354 8.150 -0.000 0.000 0.492 56 A N 1.113 123.762 122.820 -0.285 0.000 1.969 56 A HA -0.137 4.135 4.320 -0.081 0.000 0.218 56 A C 1.764 179.148 177.584 -0.332 0.000 1.169 56 A CA 1.692 53.460 52.037 -0.447 0.000 0.635 56 A CB -0.996 17.380 19.000 -1.040 0.000 0.810 56 A HN 1.084 9.234 8.150 -0.000 0.000 0.445 57 H N -1.811 117.168 119.070 -0.152 0.000 2.521 57 H HA -0.087 4.421 4.556 -0.081 0.000 0.286 57 H C 1.749 177.117 175.328 0.067 0.000 1.034 57 H CA 1.362 57.464 56.048 0.091 0.000 1.278 57 H CB -0.724 29.149 29.762 0.184 0.000 1.386 57 H HN 0.423 8.703 8.280 -0.000 0.000 0.567 58 c N 1.213 119.628 118.600 -0.308 0.000 2.448 58 c HA 0.181 4.703 4.570 -0.081 0.000 0.280 58 c C 1.533 175.610 174.090 -0.023 0.000 1.398 58 c CA -0.069 56.176 56.329 -0.139 0.000 1.774 58 c CB -0.720 41.696 42.510 -0.157 0.000 1.888 58 c HN 0.349 8.579 8.230 -0.000 0.000 0.519 59 L N -0.018 121.191 121.223 -0.024 0.000 2.331 59 L HA 0.465 4.756 4.340 -0.081 0.000 0.268 59 L C 0.662 177.541 176.870 0.015 0.000 1.015 59 L CA -0.210 54.632 54.840 0.003 0.000 0.807 59 L CB 1.093 43.156 42.059 0.007 0.000 1.293 59 L HN 0.097 8.327 8.230 -0.000 0.000 0.451 60 T N -3.652 110.894 114.554 -0.014 0.000 2.923 60 T HA 0.201 4.503 4.350 -0.081 0.000 0.281 60 T C 0.893 175.586 174.700 -0.012 0.000 0.995 60 T CA -0.702 61.389 62.100 -0.016 0.000 0.985 60 T CB 1.251 70.107 68.868 -0.020 0.000 1.114 60 T HN 0.644 8.884 8.240 -0.000 0.000 0.548 61 E N 1.418 121.607 120.200 -0.018 0.000 2.118 61 E HA -0.217 4.085 4.350 -0.081 0.000 0.195 61 E C 1.495 178.090 176.600 -0.008 0.000 0.992 61 E CA 1.523 57.915 56.400 -0.013 0.000 0.804 61 E CB -1.033 28.652 29.700 -0.026 0.000 0.741 61 E HN 0.726 9.086 8.360 -0.000 0.000 0.458 62 N N 1.032 119.725 118.700 -0.012 0.000 2.520 62 N HA -0.080 4.611 4.740 -0.081 0.000 0.185 62 N C 0.869 176.375 175.510 -0.008 0.000 1.068 62 N CA 1.020 54.065 53.050 -0.009 0.000 0.911 62 N CB 0.041 38.521 38.487 -0.013 0.000 0.961 62 N HN 0.138 8.518 8.380 -0.000 0.000 0.446 63 D N -0.387 120.007 120.400 -0.009 0.000 2.347 63 D HA 0.091 4.683 4.640 -0.081 0.000 0.213 63 D C -0.081 176.213 176.300 -0.010 0.000 0.985 63 D CA 0.581 54.573 54.000 -0.014 0.000 0.879 63 D CB 0.355 41.143 40.800 -0.019 0.000 0.919 63 D HN 0.197 8.567 8.370 -0.000 0.000 0.526 64 L N -1.084 120.144 121.223 0.009 0.000 2.403 64 L HA 0.523 4.815 4.340 -0.081 0.000 0.253 64 L C -0.702 176.205 176.870 0.061 0.000 1.045 64 L CA -0.955 53.903 54.840 0.031 0.000 0.845 64 L CB 1.732 43.812 42.059 0.035 0.000 1.447 64 L HN -0.353 7.877 8.230 -0.000 0.000 0.411 65 L N 0.573 121.863 121.223 0.110 0.000 2.354 65 L HA 0.750 5.041 4.340 -0.081 0.000 0.264 65 L C -1.033 175.916 176.870 0.131 0.000 1.008 65 L CA -1.094 53.817 54.840 0.119 0.000 0.819 65 L CB 2.479 44.630 42.059 0.154 0.000 1.339 65 L HN 0.275 8.505 8.230 -0.000 0.000 0.420 66 V N 2.339 122.309 119.914 0.093 0.000 2.398 66 V HA 0.454 4.525 4.120 -0.081 0.000 0.286 66 V C -0.267 175.865 176.094 0.063 0.000 1.026 66 V CA -0.512 61.844 62.300 0.093 0.000 0.868 66 V CB 1.779 33.655 31.823 0.089 0.000 0.982 66 V HN 0.655 8.845 8.190 -0.000 0.000 0.443 67 R N 5.817 126.342 120.500 0.042 0.000 2.310 67 R HA 0.661 4.953 4.340 -0.081 0.000 0.324 67 R C -1.101 175.220 176.300 0.036 0.000 0.955 67 R CA -0.411 55.681 56.100 -0.014 0.000 0.830 67 R CB 1.620 31.830 30.300 -0.151 0.000 1.154 67 R HN 0.592 8.862 8.270 -0.000 0.000 0.458 68 I N 0.700 121.303 120.570 0.055 0.000 2.493 68 I HA 0.427 4.549 4.170 -0.081 0.000 0.298 68 I C 1.010 177.175 176.117 0.079 0.000 0.998 68 I CA -0.575 60.783 61.300 0.097 0.000 1.137 68 I CB 2.043 40.115 38.000 0.119 0.000 1.310 68 I HN 0.886 9.096 8.210 -0.000 0.000 0.445 69 G N 3.615 112.479 108.800 0.107 0.000 2.141 69 G HA2 -0.210 3.702 3.960 -0.081 0.000 0.242 69 G HA3 -0.210 3.702 3.960 -0.081 0.000 0.242 69 G C 0.058 174.988 174.900 0.051 0.000 0.982 69 G CA -0.391 44.764 45.100 0.093 0.000 0.662 69 G HN 0.609 8.899 8.290 -0.000 0.000 0.527 70 K N -1.148 119.316 120.400 0.107 0.000 2.098 70 K HA 0.609 4.881 4.320 -0.081 0.000 0.257 70 K C 0.722 177.522 176.600 0.334 0.000 0.999 70 K CA -0.335 56.021 56.287 0.115 0.000 0.924 70 K CB 1.241 33.725 32.500 -0.025 0.000 1.028 70 K HN 0.293 8.543 8.250 -0.000 0.000 0.466 71 H N -0.405 118.752 119.070 0.145 0.000 2.176 71 H HA 0.126 4.622 4.556 -0.101 0.000 0.228 71 H C 0.131 175.631 175.328 0.286 0.000 0.879 71 H CA 0.275 56.438 56.048 0.192 0.000 1.027 71 H CB 0.471 30.250 29.762 0.028 0.000 1.356 71 H HN 0.465 8.745 8.280 -0.000 0.000 0.425 72 S N 0.640 116.389 115.700 0.081 0.000 2.565 72 S HA 0.133 4.555 4.470 -0.081 0.000 0.276 72 S C 1.406 175.923 174.600 -0.138 0.000 1.326 72 S CA -0.401 57.783 58.200 -0.025 0.000 1.045 72 S CB 0.920 64.097 63.200 -0.039 0.000 0.918 72 S HN 0.543 8.853 8.310 -0.000 0.000 0.505 73 R N 1.723 122.125 120.500 -0.163 0.000 2.075 73 R HA -0.050 4.242 4.340 -0.081 0.000 0.226 73 R C 1.995 178.104 176.300 -0.319 0.000 1.114 73 R CA 1.988 57.822 56.100 -0.444 0.000 0.972 73 R CB -0.742 29.451 30.300 -0.178 0.000 0.869 73 R HN 0.865 9.135 8.270 -0.000 0.000 0.437 74 T N -1.622 112.838 114.554 -0.156 0.000 3.031 74 T HA 0.153 4.455 4.350 -0.081 0.000 0.254 74 T C 0.854 175.498 174.700 -0.092 0.000 1.060 74 T CA -0.274 61.767 62.100 -0.097 0.000 1.135 74 T CB -0.009 68.840 68.868 -0.032 0.000 0.896 74 T HN 0.139 8.379 8.240 -0.000 0.000 0.472 75 R N 0.425 120.873 120.500 -0.087 0.000 2.738 75 R HA 0.428 4.719 4.340 -0.081 0.000 0.268 75 R C -0.061 176.198 176.300 -0.067 0.000 1.062 75 R CA -0.624 55.441 56.100 -0.057 0.000 1.158 75 R CB 0.320 30.586 30.300 -0.057 0.000 1.046 75 R HN 0.365 8.635 8.270 -0.000 0.000 0.493 76 Y N 0.644 120.870 120.300 -0.123 0.000 2.684 76 Y HA 0.475 4.997 4.550 -0.047 0.000 0.373 76 Y C -0.360 175.475 175.900 -0.108 0.000 1.291 76 Y CA -1.145 56.873 58.100 -0.136 0.000 1.472 76 Y CB 0.960 39.353 38.460 -0.112 0.000 1.618 76 Y HN 0.501 8.781 8.280 -0.000 0.000 0.674 77 R N 0.976 121.060 120.500 -0.693 0.000 2.561 77 R HA 0.240 4.532 4.340 -0.081 0.000 0.266 77 R C -0.768 175.378 176.300 -0.256 0.000 1.091 77 R CA 0.172 55.993 56.100 -0.465 0.000 0.927 77 R CB 0.593 30.841 30.300 -0.086 0.000 1.240 77 R HN 0.984 9.254 8.270 -0.000 0.000 0.449 78 N N 1.833 120.435 118.700 -0.163 0.000 2.936 78 N HA -0.250 4.442 4.740 -0.081 0.000 0.236 78 N C 0.398 175.834 175.510 -0.122 0.000 0.930 78 N CA 1.521 54.514 53.050 -0.094 0.000 0.966 78 N CB -0.638 37.809 38.487 -0.067 0.000 1.090 78 N HN 0.521 8.901 8.380 -0.000 0.000 0.592 79 I N 0.526 120.965 120.570 -0.219 0.000 3.623 79 I HA 0.009 4.130 4.170 -0.081 0.000 0.253 79 I C 1.033 177.043 176.117 -0.179 0.000 1.144 79 I CA -0.111 61.035 61.300 -0.257 0.000 1.461 79 I CB 0.084 37.810 38.000 -0.456 0.000 1.575 79 I HN 0.137 8.347 8.210 -0.000 0.000 0.445 80 E N 2.892 122.952 120.200 -0.234 0.000 2.392 80 E HA 0.234 4.536 4.350 -0.081 0.000 0.259 80 E C -0.511 176.046 176.600 -0.071 0.000 1.108 80 E CA -0.381 55.932 56.400 -0.145 0.000 0.916 80 E CB 1.163 30.744 29.700 -0.198 0.000 0.989 80 E HN -0.051 8.309 8.360 -0.000 0.000 0.432 81 K N 2.176 122.575 120.400 -0.002 0.000 2.375 81 K HA 0.487 4.759 4.320 -0.081 0.000 0.249 81 K C -1.335 175.291 176.600 0.043 0.000 0.942 81 K CA -0.659 55.650 56.287 0.037 0.000 0.806 81 K CB 1.501 34.035 32.500 0.058 0.000 1.227 81 K HN 0.608 8.858 8.250 -0.000 0.000 0.430 82 I N 1.992 122.594 120.570 0.053 0.000 2.474 82 I HA 0.439 4.560 4.170 -0.081 0.000 0.294 82 I C -0.563 175.576 176.117 0.037 0.000 1.005 82 I CA -0.815 60.510 61.300 0.042 0.000 1.113 82 I CB 2.173 40.199 38.000 0.043 0.000 1.289 82 I HN 0.478 8.688 8.210 -0.000 0.000 0.436 83 S N 5.921 121.643 115.700 0.037 0.000 2.570 83 S HA 0.675 5.096 4.470 -0.081 0.000 0.286 83 S C -0.533 174.082 174.600 0.025 0.000 1.099 83 S CA -0.853 57.362 58.200 0.026 0.000 0.913 83 S CB 2.379 65.595 63.200 0.026 0.000 1.085 83 S HN 0.454 8.764 8.310 -0.000 0.000 0.480 84 M N 1.975 121.581 119.600 0.010 0.000 2.598 84 M HA 0.513 4.945 4.480 -0.081 0.000 0.317 84 M C -1.026 175.270 176.300 -0.006 0.000 1.201 84 M CA -0.670 54.635 55.300 0.007 0.000 0.971 84 M CB 0.879 33.479 32.600 -0.000 0.000 1.657 84 M HN 0.379 8.669 8.290 -0.000 0.000 0.470 85 L N 1.031 122.252 121.223 -0.004 0.000 2.312 85 L HA 0.266 4.558 4.340 -0.081 0.000 0.281 85 L C 1.099 177.948 176.870 -0.036 0.000 1.070 85 L CA -0.103 54.726 54.840 -0.018 0.000 0.805 85 L CB 1.010 43.069 42.059 0.001 0.000 1.174 85 L HN 0.859 9.089 8.230 -0.000 0.000 0.434 86 E N 2.739 122.903 120.200 -0.060 0.000 2.127 86 E HA 0.044 4.346 4.350 -0.081 0.000 0.191 86 E C 0.220 176.786 176.600 -0.058 0.000 0.964 86 E CA 0.513 56.876 56.400 -0.062 0.000 0.832 86 E CB 0.720 30.367 29.700 -0.088 0.000 0.790 86 E HN 0.556 8.915 8.360 -0.000 0.000 0.465 87 K N 0.058 120.424 120.400 -0.058 0.000 2.578 87 K HA 0.375 4.647 4.320 -0.081 0.000 0.269 87 K C -1.763 174.793 176.600 -0.073 0.000 0.941 87 K CA -0.566 55.660 56.287 -0.102 0.000 0.847 87 K CB 1.473 33.894 32.500 -0.132 0.000 1.397 87 K HN -0.005 8.245 8.250 -0.000 0.000 0.422 88 I N 3.285 123.745 120.570 -0.182 0.000 2.493 88 I HA 0.388 4.510 4.170 -0.081 0.000 0.298 88 I C -1.263 174.735 176.117 -0.198 0.000 0.998 88 I CA -0.925 60.351 61.300 -0.040 0.000 1.137 88 I CB 1.347 39.348 38.000 0.002 0.000 1.310 88 I HN 0.548 8.758 8.210 -0.000 0.000 0.445 89 Y N 5.900 126.342 120.300 0.237 0.000 2.329 89 Y HA 0.528 5.029 4.550 -0.081 0.000 0.328 89 Y C -0.178 175.952 175.900 0.384 0.000 0.992 89 Y CA -0.560 57.723 58.100 0.305 0.000 1.151 89 Y CB 1.442 40.096 38.460 0.323 0.000 1.150 89 Y HN 0.272 8.552 8.280 -0.000 0.000 0.450 90 I N 3.071 123.879 120.570 0.398 0.000 2.437 90 I HA 0.200 4.322 4.170 -0.081 0.000 0.298 90 I C 0.236 176.445 176.117 0.153 0.000 0.984 90 I CA -1.059 60.387 61.300 0.242 0.000 1.214 90 I CB 1.138 39.233 38.000 0.158 0.000 1.365 90 I HN 0.611 8.821 8.210 -0.000 0.000 0.469 91 H N 8.100 126.980 119.070 -0.317 0.000 3.070 91 H HA 0.039 4.546 4.556 -0.081 0.000 0.313 91 H C -1.625 173.599 175.328 -0.173 0.000 0.997 91 H CA -1.100 54.536 56.048 -0.688 0.000 1.438 91 H CB 1.282 30.532 29.762 -0.854 0.000 1.455 91 H HN 0.349 8.629 8.280 -0.000 0.000 0.575 92 P HA -0.122 4.298 4.420 -0.000 0.000 0.221 92 P C 0.396 177.811 177.300 0.192 0.000 1.145 92 P CA 1.228 64.378 63.100 0.082 0.000 0.795 92 P CB 0.269 31.980 31.700 0.018 0.000 0.775 93 R N -1.566 119.178 120.500 0.406 0.000 2.586 93 R HA 0.135 4.426 4.340 -0.081 0.000 0.336 93 R C 0.165 176.515 176.300 0.082 0.000 1.060 93 R CA -0.710 55.502 56.100 0.188 0.000 1.079 93 R CB -0.354 30.030 30.300 0.140 0.000 1.317 93 R HN 0.107 8.377 8.270 -0.000 0.000 0.568 94 Y N 2.045 122.360 120.300 0.024 0.000 2.650 94 Y HA -0.009 4.493 4.550 -0.080 0.000 0.331 94 Y C 0.048 175.947 175.900 -0.001 0.000 1.165 94 Y CA -0.733 57.364 58.100 -0.006 0.000 1.473 94 Y CB 0.128 38.646 38.460 0.098 0.000 1.224 94 Y HN -0.072 8.208 8.280 -0.000 0.000 0.533 95 N N 8.617 127.201 118.700 -0.195 0.000 3.083 95 N HA 0.016 4.707 4.740 -0.081 0.000 0.260 95 N C -0.276 174.903 175.510 -0.551 0.000 1.163 95 N CA -0.507 52.292 53.050 -0.419 0.000 1.060 95 N CB -0.293 38.038 38.487 -0.259 0.000 1.345 95 N HN 0.798 9.178 8.380 -0.000 0.000 0.515 96 W N 3.813 124.622 121.300 -0.818 0.000 2.264 96 W HA 0.111 4.723 4.660 -0.080 0.000 0.445 96 W C 0.913 177.238 176.519 -0.324 0.000 0.720 96 W CA -0.446 56.523 57.345 -0.627 0.000 2.352 96 W CB -1.117 27.953 29.460 -0.650 0.000 0.851 96 W HN 0.498 8.678 8.180 -0.000 0.000 0.582 97 E N 2.476 122.479 120.200 -0.327 0.000 2.113 97 E HA -0.347 3.955 4.350 -0.081 0.000 0.210 97 E C 0.959 177.395 176.600 -0.273 0.000 1.040 97 E CA 2.410 58.657 56.400 -0.256 0.000 0.847 97 E CB -0.919 28.642 29.700 -0.232 0.000 0.755 97 E HN 0.659 9.019 8.360 -0.000 0.000 0.459 98 N N -0.737 117.796 118.700 -0.279 0.000 2.184 98 N HA 0.144 4.836 4.740 -0.081 0.000 0.234 98 N C -0.123 175.199 175.510 -0.314 0.000 1.282 98 N CA -0.034 52.802 53.050 -0.356 0.000 0.877 98 N CB 0.829 39.144 38.487 -0.286 0.000 1.184 98 N HN 0.062 8.442 8.380 -0.000 0.000 0.510 99 L N 1.125 122.242 121.223 -0.175 0.000 4.040 99 L HA -0.204 4.088 4.340 -0.081 0.000 0.410 99 L C -0.505 176.449 176.870 0.141 0.000 1.187 99 L CA 0.745 55.613 54.840 0.047 0.000 0.956 99 L CB -1.970 40.098 42.059 0.016 0.000 2.022 99 L HN 0.478 8.708 8.230 -0.000 0.000 0.897 100 D N 1.034 121.457 120.400 0.037 0.000 2.455 100 D HA 0.274 4.866 4.640 -0.081 0.000 0.241 100 D C 0.836 177.167 176.300 0.051 0.000 1.138 100 D CA 0.475 54.498 54.000 0.038 0.000 0.877 100 D CB 0.354 41.130 40.800 -0.039 0.000 1.187 100 D HN 0.258 8.628 8.370 -0.000 0.000 0.451 101 R N 1.699 122.194 120.500 -0.008 0.000 3.332 101 R HA -0.202 4.090 4.340 -0.081 0.000 0.263 101 R C -0.863 175.419 176.300 -0.031 0.000 1.053 101 R CA 0.443 56.453 56.100 -0.150 0.000 0.705 101 R CB -1.651 28.352 30.300 -0.495 0.000 1.166 101 R HN 0.449 8.719 8.270 -0.000 0.000 0.427 102 D N 1.440 121.882 120.400 0.070 0.000 2.508 102 D HA 0.367 4.959 4.640 -0.081 0.000 0.224 102 D C -0.187 176.092 176.300 -0.035 0.000 1.171 102 D CA 0.101 54.120 54.000 0.031 0.000 1.006 102 D CB 0.185 41.127 40.800 0.235 0.000 1.073 102 D HN 0.386 8.756 8.370 -0.000 0.000 0.513 103 I N 1.098 121.588 120.570 -0.133 0.000 2.841 103 I HA 0.681 4.802 4.170 -0.081 0.000 0.298 103 I C -1.887 174.231 176.117 0.002 0.000 1.304 103 I CA -0.654 60.639 61.300 -0.012 0.000 1.019 103 I CB 1.808 39.853 38.000 0.074 0.000 1.282 103 I HN 0.298 8.508 8.210 -0.000 0.000 0.432 104 A N 6.880 129.808 122.820 0.181 0.000 2.589 104 A HA 0.758 5.030 4.320 -0.081 0.000 0.296 104 A C -2.140 175.682 177.584 0.397 0.000 1.062 104 A CA -0.466 51.760 52.037 0.314 0.000 0.686 104 A CB 1.623 20.712 19.000 0.149 0.000 1.282 104 A HN 0.606 8.756 8.150 -0.000 0.000 0.404 105 L N 1.426 122.952 121.223 0.506 0.000 2.334 105 L HA 0.721 5.013 4.340 -0.081 0.000 0.273 105 L C -0.306 176.877 176.870 0.521 0.000 1.013 105 L CA -0.348 54.754 54.840 0.437 0.000 0.816 105 L CB 1.980 44.191 42.059 0.253 0.000 1.278 105 L HN 0.774 9.004 8.230 -0.000 0.000 0.431 106 M N 3.206 123.089 119.600 0.473 0.000 2.197 106 M HA 0.358 4.789 4.480 -0.081 0.000 0.301 106 M C -0.808 175.583 176.300 0.151 0.000 0.987 106 M CA -0.448 55.037 55.300 0.309 0.000 0.921 106 M CB 2.192 34.907 32.600 0.192 0.000 1.569 106 M HN 0.343 8.633 8.290 -0.000 0.000 0.431 107 K N 4.024 124.371 120.400 -0.089 0.000 2.201 107 K HA 0.586 4.858 4.320 -0.081 0.000 0.278 107 K C -1.153 175.257 176.600 -0.317 0.000 1.027 107 K CA -0.448 55.461 56.287 -0.631 0.000 0.909 107 K CB 0.897 32.907 32.500 -0.817 0.000 1.062 107 K HN 0.688 8.938 8.250 -0.000 0.000 0.465 108 L N 4.539 125.568 121.223 -0.323 0.000 2.395 108 L HA 0.179 4.470 4.340 -0.081 0.000 0.269 108 L C 1.528 178.302 176.870 -0.160 0.000 1.133 108 L CA -0.345 54.397 54.840 -0.163 0.000 0.812 108 L CB 0.861 42.856 42.059 -0.107 0.000 1.125 108 L HN 0.752 8.982 8.230 -0.000 0.000 0.452 109 K N 1.017 121.360 120.400 -0.095 0.000 2.026 109 K HA -0.038 4.234 4.320 -0.081 0.000 0.208 109 K C 0.062 176.615 176.600 -0.079 0.000 1.048 109 K CA 1.438 57.678 56.287 -0.079 0.000 0.929 109 K CB 0.170 32.641 32.500 -0.048 0.000 0.713 109 K HN 0.486 8.736 8.250 -0.000 0.000 0.439 110 K N 0.431 120.790 120.400 -0.068 0.000 2.375 110 K HA 0.333 4.604 4.320 -0.081 0.000 0.249 110 K C -2.770 173.790 176.600 -0.067 0.000 0.942 110 K CA -2.209 54.041 56.287 -0.062 0.000 0.806 110 K CB 1.891 34.366 32.500 -0.042 0.000 1.227 110 K HN -0.223 8.027 8.250 -0.000 0.000 0.430 111 P HA 0.005 4.425 4.420 -0.000 0.000 0.268 111 P C -0.690 176.566 177.300 -0.073 0.000 1.205 111 P CA -0.448 62.603 63.100 -0.083 0.000 0.771 111 P CB 0.639 32.278 31.700 -0.101 0.000 0.858 112 V N 2.412 122.294 119.914 -0.053 0.000 2.743 112 V HA 0.613 4.685 4.120 -0.081 0.000 0.301 112 V C -0.174 175.848 176.094 -0.119 0.000 1.057 112 V CA -0.624 61.667 62.300 -0.015 0.000 1.006 112 V CB 1.028 32.908 31.823 0.094 0.000 1.024 112 V HN 0.680 8.870 8.190 -0.000 0.000 0.473 113 A N 5.756 128.538 122.820 -0.062 0.000 2.301 113 A HA 0.720 4.991 4.320 -0.081 0.000 0.298 113 A C -0.535 177.094 177.584 0.075 0.000 1.185 113 A CA -0.451 51.516 52.037 -0.117 0.000 0.830 113 A CB 0.158 19.132 19.000 -0.043 0.000 1.112 113 A HN 0.657 8.807 8.150 -0.000 0.000 0.508 114 F N 1.510 121.494 119.950 0.058 0.000 2.440 114 F HA 0.548 5.024 4.527 -0.084 0.000 0.323 114 F C 1.346 177.192 175.800 0.077 0.000 1.192 114 F CA 0.034 58.085 58.000 0.084 0.000 1.252 114 F CB 0.811 39.880 39.000 0.116 0.000 1.214 114 F HN 0.800 9.100 8.300 -0.000 0.000 0.578 115 S N -0.892 114.980 115.700 0.286 0.000 2.724 115 S HA 0.283 4.704 4.470 -0.081 0.000 0.278 115 S C 0.004 174.582 174.600 -0.036 0.000 1.190 115 S CA -0.731 57.541 58.200 0.119 0.000 0.860 115 S CB 0.981 64.269 63.200 0.147 0.000 1.206 115 S HN 0.315 8.625 8.310 -0.000 0.000 0.507 116 D N 0.105 120.347 120.400 -0.264 0.000 2.218 116 D HA 0.040 4.632 4.640 -0.081 0.000 0.204 116 D C 0.865 176.782 176.300 -0.639 0.000 0.976 116 D CA 1.654 55.312 54.000 -0.570 0.000 0.853 116 D CB -0.305 39.920 40.800 -0.959 0.000 0.939 116 D HN 0.621 8.991 8.370 -0.000 0.000 0.481 117 Y N -0.877 119.396 120.300 -0.045 0.000 2.444 117 Y HA 0.369 4.893 4.550 -0.043 0.000 0.249 117 Y C 0.611 176.480 175.900 -0.051 0.000 1.134 117 Y CA -0.257 57.800 58.100 -0.072 0.000 1.261 117 Y CB 0.792 39.219 38.460 -0.055 0.000 1.143 117 Y HN -0.208 8.072 8.280 -0.000 0.000 0.523 118 I N 0.541 121.181 120.570 0.117 0.000 2.439 118 I HA 0.373 4.494 4.170 -0.081 0.000 0.285 118 I C -1.260 174.904 176.117 0.079 0.000 1.021 118 I CA -0.554 60.822 61.300 0.127 0.000 1.091 118 I CB 1.531 39.663 38.000 0.220 0.000 1.242 118 I HN 0.053 8.263 8.210 -0.000 0.000 0.439 119 H N 7.139 126.106 119.070 -0.172 0.000 3.123 119 H HA 0.392 4.898 4.556 -0.082 0.000 0.346 119 H C -2.952 172.286 175.328 -0.151 0.000 1.138 119 H CA -0.944 54.875 56.048 -0.382 0.000 1.273 119 H CB 3.018 32.641 29.762 -0.231 0.000 1.926 119 H HN 0.219 8.499 8.280 -0.000 0.000 0.524 120 P HA 0.124 4.544 4.420 -0.000 0.000 0.274 120 P C -0.598 176.726 177.300 0.040 0.000 1.231 120 P CA -0.326 62.677 63.100 -0.162 0.000 0.790 120 P CB 1.818 33.365 31.700 -0.255 0.000 0.951 121 V N 2.620 122.520 119.914 -0.024 0.000 2.863 121 V HA 0.238 4.310 4.120 -0.081 0.000 0.307 121 V C 0.007 175.947 176.094 -0.256 0.000 1.061 121 V CA -0.419 61.632 62.300 -0.416 0.000 1.024 121 V CB 1.171 32.447 31.823 -0.913 0.000 1.049 121 V HN 0.711 8.900 8.190 -0.000 0.000 0.471 122 C N 5.482 124.587 119.300 -0.325 0.000 2.459 122 C HA 0.504 4.916 4.460 -0.081 0.000 0.374 122 C C 0.161 175.152 174.990 0.002 0.000 1.241 122 C CA -0.870 58.025 59.018 -0.204 0.000 2.352 122 C CB 0.030 27.463 27.740 -0.512 0.000 2.490 122 C HN 0.715 8.945 8.230 -0.000 0.000 0.583 123 L N 4.119 125.425 121.223 0.137 0.000 2.309 123 L HA 0.427 4.719 4.340 -0.081 0.000 0.282 123 L C -1.853 175.210 176.870 0.322 0.000 1.036 123 L CA -1.414 53.551 54.840 0.207 0.000 0.806 123 L CB 1.347 43.492 42.059 0.143 0.000 1.220 123 L HN 0.480 8.710 8.230 -0.000 0.000 0.429 124 P HA 0.056 4.476 4.420 -0.000 0.000 0.271 124 P C -1.395 175.911 177.300 0.011 0.000 1.218 124 P CA -0.285 62.824 63.100 0.014 0.000 0.780 124 P CB 0.830 32.487 31.700 -0.071 0.000 0.901 125 D N 2.177 122.462 120.400 -0.193 0.000 2.387 125 D HA 0.126 4.717 4.640 -0.081 0.000 0.255 125 D C 1.060 177.032 176.300 -0.547 0.000 1.081 125 D CA -0.778 53.128 54.000 -0.158 0.000 0.994 125 D CB 1.393 42.125 40.800 -0.113 0.000 1.127 125 D HN 0.149 8.519 8.370 -0.000 0.000 0.513 126 R N 0.199 120.401 120.500 -0.497 0.000 2.103 126 R HA -0.209 4.083 4.340 -0.081 0.000 0.242 126 R C 1.566 177.547 176.300 -0.531 0.000 1.142 126 R CA 1.716 57.368 56.100 -0.747 0.000 0.960 126 R CB -0.515 29.714 30.300 -0.119 0.000 0.858 126 R HN 0.547 8.817 8.270 -0.000 0.000 0.439 127 E N -0.257 119.748 120.200 -0.325 0.000 2.107 127 E HA -0.006 4.295 4.350 -0.081 0.000 0.191 127 E C -0.116 176.309 176.600 -0.293 0.000 0.982 127 E CA 0.638 56.888 56.400 -0.250 0.000 0.809 127 E CB -0.097 29.505 29.700 -0.163 0.000 0.756 127 E HN 0.123 8.483 8.360 -0.000 0.000 0.459 128 T N 1.551 115.881 114.554 -0.373 0.000 2.829 128 T HA 0.113 4.414 4.350 -0.081 0.000 0.293 128 T C 0.355 174.819 174.700 -0.394 0.000 0.970 128 T CA 0.343 62.186 62.100 -0.428 0.000 1.168 128 T CB 0.403 68.844 68.868 -0.713 0.000 0.911 128 T HN 0.160 8.400 8.240 -0.000 0.000 0.535 129 L N 2.474 123.617 121.223 -0.134 0.000 2.462 129 L HA -0.142 4.150 4.340 -0.081 0.000 0.463 129 L C 0.703 177.437 176.870 -0.227 0.000 0.716 129 L CA 0.934 55.740 54.840 -0.057 0.000 2.997 129 L CB -1.265 40.772 42.059 -0.036 0.000 0.811 129 L HN 0.645 8.875 8.230 -0.000 0.000 0.710 130 L N 1.678 122.714 121.223 -0.312 0.000 2.384 130 L HA 0.232 4.524 4.340 -0.081 0.000 0.258 130 L C 0.391 177.007 176.870 -0.424 0.000 1.266 130 L CA 0.462 55.067 54.840 -0.391 0.000 1.162 130 L CB -0.123 41.701 42.059 -0.393 0.000 1.375 130 L HN 0.278 8.508 8.230 -0.000 0.000 0.420 131 Q N 1.207 120.671 119.800 -0.561 0.000 2.397 131 Q HA 0.575 4.866 4.340 -0.081 0.000 0.275 131 Q C -0.376 175.392 176.000 -0.388 0.000 1.090 131 Q CA -0.888 54.573 55.803 -0.570 0.000 0.809 131 Q CB 2.818 30.988 28.738 -0.946 0.000 1.362 131 Q HN 0.547 8.817 8.270 -0.000 0.000 0.431 132 A N 0.586 123.268 122.820 -0.230 0.000 2.565 132 A HA 0.406 4.678 4.320 -0.081 0.000 0.237 132 A C 1.191 178.767 177.584 -0.014 0.000 1.053 132 A CA 1.325 53.294 52.037 -0.113 0.000 0.755 132 A CB -0.649 18.299 19.000 -0.088 0.000 0.980 132 A HN 1.068 9.218 8.150 -0.000 0.000 0.506 133 G N 0.688 109.512 108.800 0.041 0.000 2.284 133 G HA2 -0.232 3.679 3.960 -0.081 0.000 0.230 133 G HA3 -0.232 3.679 3.960 -0.081 0.000 0.230 133 G C 0.113 175.142 174.900 0.215 0.000 1.021 133 G CA 0.346 45.520 45.100 0.122 0.000 0.619 133 G HN 0.805 9.095 8.290 -0.000 0.000 0.510 134 Y N 2.349 122.619 120.300 -0.051 0.000 2.425 134 Y HA 0.523 5.025 4.550 -0.081 0.000 0.331 134 Y C 1.219 177.103 175.900 -0.027 0.000 1.157 134 Y CA -0.464 57.608 58.100 -0.047 0.000 1.372 134 Y CB 0.636 39.054 38.460 -0.070 0.000 1.253 134 Y HN 0.136 8.416 8.280 -0.000 0.000 0.536 135 K N 1.891 122.338 120.400 0.078 0.000 2.118 135 K HA 0.636 4.908 4.320 -0.081 0.000 0.267 135 K C 0.344 176.940 176.600 -0.006 0.000 0.991 135 K CA -0.509 55.799 56.287 0.035 0.000 0.916 135 K CB 1.309 33.807 32.500 -0.003 0.000 1.041 135 K HN 0.864 9.114 8.250 -0.000 0.000 0.455 136 G N 0.985 109.716 108.800 -0.115 0.000 2.902 136 G HA2 0.544 4.455 3.960 -0.081 0.000 0.286 136 G HA3 0.544 4.455 3.960 -0.081 0.000 0.286 136 G C -1.400 173.135 174.900 -0.608 0.000 1.333 136 G CA -0.653 44.100 45.100 -0.579 0.000 1.027 136 G HN 0.532 8.822 8.290 -0.000 0.000 0.508 137 R N -0.635 119.463 120.500 -0.671 0.000 2.561 137 R HA 0.635 4.926 4.340 -0.081 0.000 0.297 137 R C -1.715 174.395 176.300 -0.318 0.000 0.969 137 R CA -0.441 55.470 56.100 -0.315 0.000 0.879 137 R CB 2.167 32.435 30.300 -0.053 0.000 1.178 137 R HN 0.341 8.611 8.270 -0.000 0.000 0.445 138 V N 3.126 122.960 119.914 -0.134 0.000 2.604 138 V HA 0.544 4.616 4.120 -0.081 0.000 0.305 138 V C -0.293 175.799 176.094 -0.003 0.000 1.043 138 V CA -0.615 61.691 62.300 0.011 0.000 0.888 138 V CB 1.998 33.922 31.823 0.169 0.000 0.995 138 V HN 1.008 9.198 8.190 -0.000 0.000 0.429 139 T N 0.440 114.989 114.554 -0.008 0.000 2.906 139 T HA 0.965 5.267 4.350 -0.081 0.000 0.295 139 T C -0.208 174.405 174.700 -0.145 0.000 1.061 139 T CA -0.373 61.661 62.100 -0.111 0.000 1.000 139 T CB 2.162 70.927 68.868 -0.172 0.000 1.103 139 T HN 1.445 9.685 8.240 -0.000 0.000 0.486 140 G N -0.273 108.353 108.800 -0.289 0.000 2.338 140 G HA2 0.396 4.308 3.960 -0.081 0.000 0.295 140 G HA3 0.396 4.308 3.960 -0.081 0.000 0.295 140 G C -1.129 173.570 174.900 -0.335 0.000 1.461 140 G CA -0.863 44.063 45.100 -0.289 0.000 0.817 140 G HN 0.674 8.964 8.290 -0.000 0.000 0.556 141 W N 1.157 122.473 121.300 0.026 0.000 3.223 141 W HA 0.358 4.970 4.660 -0.080 0.000 0.389 141 W C 1.171 177.700 176.519 0.015 0.000 1.118 141 W CA -0.116 57.231 57.345 0.004 0.000 1.902 141 W CB 0.672 30.137 29.460 0.008 0.000 1.094 141 W HN 0.805 8.985 8.180 -0.000 0.000 0.666 142 G N 1.509 110.420 108.800 0.185 0.000 2.684 142 G HA2 -0.037 3.875 3.960 -0.081 0.000 0.255 142 G HA3 -0.037 3.875 3.960 -0.081 0.000 0.255 142 G C 0.409 175.355 174.900 0.077 0.000 1.219 142 G CA -0.487 44.698 45.100 0.141 0.000 0.901 142 G HN -0.069 8.221 8.290 -0.000 0.000 0.548 143 N N -0.251 118.489 118.700 0.066 0.000 2.353 143 N HA -0.044 4.648 4.740 -0.081 0.000 0.248 143 N C 1.270 176.759 175.510 -0.035 0.000 1.240 143 N CA -0.360 52.684 53.050 -0.010 0.000 0.862 143 N CB 1.085 39.615 38.487 0.073 0.000 1.086 143 N HN 0.158 8.537 8.380 -0.000 0.000 0.453 144 L N 0.677 121.822 121.223 -0.130 0.000 2.341 144 L HA 0.107 4.399 4.340 -0.081 0.000 0.214 144 L C 0.637 177.477 176.870 -0.050 0.000 1.115 144 L CA 1.350 56.132 54.840 -0.097 0.000 0.820 144 L CB -0.256 41.711 42.059 -0.153 0.000 0.944 144 L HN 0.451 8.681 8.230 -0.000 0.000 0.452 145 K N -0.860 119.519 120.400 -0.036 0.000 2.482 145 K HA 0.158 4.430 4.320 -0.081 0.000 0.257 145 K C 0.524 177.226 176.600 0.170 0.000 0.969 145 K CA -0.475 55.855 56.287 0.072 0.000 0.842 145 K CB 2.544 35.107 32.500 0.105 0.000 1.359 145 K HN -0.249 8.001 8.250 -0.000 0.000 0.441 146 E N 0.445 120.741 120.200 0.160 0.000 2.051 146 E HA -0.100 4.201 4.350 -0.081 0.000 0.192 146 E C -0.161 176.580 176.600 0.235 0.000 0.991 146 E CA 1.352 57.852 56.400 0.167 0.000 0.799 146 E CB 0.382 30.150 29.700 0.113 0.000 0.748 146 E HN 0.644 9.004 8.360 -0.000 0.000 0.449 147 T N -2.855 111.854 114.554 0.258 0.000 2.923 147 T HA 0.470 4.772 4.350 -0.081 0.000 0.311 147 T C -0.800 174.114 174.700 0.358 0.000 1.183 147 T CA -0.643 61.607 62.100 0.250 0.000 1.020 147 T CB 1.187 70.100 68.868 0.075 0.000 1.165 147 T HN 0.473 8.713 8.240 -0.000 0.000 0.482 148 W N 1.182 122.496 121.300 0.023 0.000 4.467 148 W HA 0.593 5.206 4.660 -0.078 0.000 0.418 148 W C -1.558 174.972 176.519 0.019 0.000 3.437 148 W CA -1.008 56.350 57.345 0.021 0.000 1.144 148 W CB 0.299 29.772 29.460 0.023 0.000 2.107 148 W HN 0.604 8.784 8.180 -0.000 0.000 0.367 149 K N 1.393 121.787 120.400 -0.011 0.000 2.339 149 K HA 0.362 4.634 4.320 -0.081 0.000 0.286 149 K C 0.828 177.012 176.600 -0.693 0.000 1.050 149 K CA 0.332 56.532 56.287 -0.145 0.000 0.956 149 K CB 1.128 33.608 32.500 -0.032 0.000 0.990 149 K HN 0.603 8.853 8.250 -0.000 0.000 0.475 150 G N 3.451 111.218 108.800 -1.722 0.000 3.279 150 G HA2 -0.083 3.829 3.960 -0.081 0.000 0.230 150 G HA3 -0.083 3.829 3.960 -0.081 0.000 0.230 150 G C -0.046 174.377 174.900 -0.795 0.000 1.230 150 G CA -0.063 44.025 45.100 -1.687 0.000 0.891 150 G HN 0.533 8.823 8.290 -0.000 0.000 0.518 151 Q N 0.980 120.503 119.800 -0.462 0.000 2.312 151 Q HA 0.484 4.776 4.340 -0.081 0.000 0.263 151 Q C -3.044 172.889 176.000 -0.111 0.000 0.995 151 Q CA -2.785 52.908 55.803 -0.183 0.000 0.853 151 Q CB 2.523 31.223 28.738 -0.063 0.000 1.300 151 Q HN 0.049 8.319 8.270 -0.000 0.000 0.448 152 P HA 0.120 4.540 4.420 -0.000 0.000 0.279 152 P C 0.132 177.446 177.300 0.024 0.000 1.252 152 P CA -0.381 62.709 63.100 -0.017 0.000 0.811 152 P CB 1.089 32.788 31.700 -0.001 0.000 1.035 153 S N -0.261 115.442 115.700 0.004 0.000 2.517 153 S HA 0.208 4.630 4.470 -0.081 0.000 0.214 153 S C 0.702 175.305 174.600 0.005 0.000 0.991 153 S CA -0.038 58.166 58.200 0.006 0.000 0.906 153 S CB -0.044 63.151 63.200 -0.009 0.000 0.789 153 S HN 0.306 8.616 8.310 -0.000 0.000 0.513 154 V N 1.345 121.252 119.914 -0.012 0.000 3.007 154 V HA 0.465 4.537 4.120 -0.081 0.000 0.311 154 V C -0.733 175.285 176.094 -0.127 0.000 1.120 154 V CA -1.281 60.933 62.300 -0.143 0.000 0.980 154 V CB 2.179 33.827 31.823 -0.293 0.000 1.033 154 V HN 0.442 8.632 8.190 -0.000 0.000 0.429 155 L N 4.132 125.191 121.223 -0.273 0.000 2.559 155 L HA 0.133 4.425 4.340 -0.081 0.000 0.282 155 L C 0.105 176.769 176.870 -0.342 0.000 1.232 155 L CA 1.131 55.622 54.840 -0.582 0.000 0.885 155 L CB 0.246 41.933 42.059 -0.620 0.000 1.131 155 L HN 0.632 8.862 8.230 -0.000 0.000 0.498 156 Q N 3.548 123.154 119.800 -0.323 0.000 2.248 156 Q HA 0.657 4.949 4.340 -0.081 0.000 0.263 156 Q C -1.143 174.760 176.000 -0.163 0.000 1.007 156 Q CA -0.577 55.121 55.803 -0.175 0.000 0.877 156 Q CB 2.290 30.960 28.738 -0.114 0.000 1.315 156 Q HN 0.574 8.844 8.270 -0.000 0.000 0.454 157 V N 0.453 120.310 119.914 -0.095 0.000 2.971 157 V HA 0.788 4.860 4.120 -0.081 0.000 0.309 157 V C -1.657 174.421 176.094 -0.026 0.000 1.130 157 V CA -0.650 61.605 62.300 -0.075 0.000 0.964 157 V CB 2.412 34.185 31.823 -0.083 0.000 1.029 157 V HN 0.520 8.710 8.190 -0.000 0.000 0.427 158 V N 5.657 125.567 119.914 -0.007 0.000 2.969 158 V HA 0.649 4.721 4.120 -0.081 0.000 0.304 158 V C -1.420 174.689 176.094 0.025 0.000 1.192 158 V CA -0.656 61.664 62.300 0.033 0.000 0.962 158 V CB 2.652 34.514 31.823 0.064 0.000 1.045 158 V HN 0.997 9.187 8.190 -0.000 0.000 0.428 159 N N 5.993 124.724 118.700 0.052 0.000 2.400 159 N HA 0.727 5.419 4.740 -0.081 0.000 0.288 159 N C -1.196 174.336 175.510 0.036 0.000 1.024 159 N CA -0.209 52.854 53.050 0.022 0.000 0.894 159 N CB 2.004 40.520 38.487 0.047 0.000 1.173 159 N HN 0.589 8.969 8.380 -0.000 0.000 0.487 160 L N 2.263 123.463 121.223 -0.039 0.000 2.388 160 L HA 0.596 4.888 4.340 -0.081 0.000 0.264 160 L C -2.432 174.375 176.870 -0.105 0.000 0.998 160 L CA -1.932 52.826 54.840 -0.136 0.000 0.817 160 L CB 3.035 45.094 42.059 -0.000 0.000 1.338 160 L HN 0.259 8.489 8.230 -0.000 0.000 0.414 161 P HA 0.305 4.725 4.420 -0.000 0.000 0.286 161 P C -0.585 176.698 177.300 -0.027 0.000 1.261 161 P CA -0.364 62.675 63.100 -0.101 0.000 0.821 161 P CB 1.374 32.986 31.700 -0.147 0.000 1.013 162 I N 1.769 122.351 120.570 0.019 0.000 2.634 162 I HA 0.094 4.216 4.170 -0.081 0.000 0.284 162 I C 0.538 176.604 176.117 -0.086 0.000 1.124 162 I CA -0.257 61.016 61.300 -0.045 0.000 1.417 162 I CB 0.731 38.650 38.000 -0.135 0.000 1.396 162 I HN 0.043 8.253 8.210 -0.000 0.000 0.571 163 V N 5.315 125.149 119.914 -0.133 0.000 2.547 163 V HA 0.174 4.246 4.120 -0.081 0.000 0.299 163 V C -0.237 175.749 176.094 -0.181 0.000 1.040 163 V CA -0.911 61.268 62.300 -0.202 0.000 0.913 163 V CB 1.742 33.310 31.823 -0.425 0.000 0.992 163 V HN 0.657 8.847 8.190 -0.000 0.000 0.449 164 E N 2.984 123.094 120.200 -0.151 0.000 2.502 164 E HA 0.043 4.344 4.350 -0.081 0.000 0.261 164 E C 1.051 177.588 176.600 -0.104 0.000 0.974 164 E CA 0.180 56.516 56.400 -0.107 0.000 0.936 164 E CB 0.212 29.865 29.700 -0.077 0.000 0.926 164 E HN 0.396 8.756 8.360 -0.000 0.000 0.459 165 R N 3.631 124.098 120.500 -0.055 0.000 2.103 165 R HA -0.136 4.155 4.340 -0.081 0.000 0.242 165 R C -0.761 175.539 176.300 -0.001 0.000 1.142 165 R CA 1.510 57.601 56.100 -0.014 0.000 0.960 165 R CB -1.239 29.073 30.300 0.020 0.000 0.858 165 R HN 0.534 8.804 8.270 -0.000 0.000 0.439 166 P HA -0.066 4.354 4.420 -0.000 0.000 0.218 166 P C 1.462 178.765 177.300 0.004 0.000 1.149 166 P CA 1.039 64.145 63.100 0.010 0.000 0.817 166 P CB -0.017 31.687 31.700 0.007 0.000 0.785 167 V N -0.144 119.742 119.914 -0.047 0.000 2.453 167 V HA -0.213 3.859 4.120 -0.081 0.000 0.247 167 V C 2.780 178.815 176.094 -0.098 0.000 1.048 167 V CA 1.750 64.003 62.300 -0.077 0.000 1.049 167 V CB -1.475 30.246 31.823 -0.171 0.000 0.672 167 V HN 0.166 8.356 8.190 -0.000 0.000 0.457 168 c N -0.137 118.383 118.600 -0.133 0.000 2.432 168 c HA -0.168 4.354 4.570 -0.081 0.000 0.277 168 c C 2.772 177.017 174.090 0.258 0.000 1.249 168 c CA 1.396 57.712 56.329 -0.021 0.000 1.725 168 c CB -0.893 41.592 42.510 -0.042 0.000 2.028 168 c HN 0.595 8.825 8.230 -0.000 0.000 0.477 169 K N 0.732 121.242 120.400 0.183 0.000 2.057 169 K HA -0.172 4.100 4.320 -0.081 0.000 0.207 169 K C 1.006 177.696 176.600 0.150 0.000 1.049 169 K CA 1.791 58.183 56.287 0.175 0.000 0.931 169 K CB -0.233 32.336 32.500 0.114 0.000 0.714 169 K HN 0.363 8.613 8.250 -0.000 0.000 0.440 170 D N -0.110 120.364 120.400 0.124 0.000 2.363 170 D HA -0.042 4.550 4.640 -0.081 0.000 0.226 170 D C 1.274 177.667 176.300 0.155 0.000 1.020 170 D CA 0.623 54.693 54.000 0.115 0.000 0.892 170 D CB 0.427 41.279 40.800 0.088 0.000 0.900 170 D HN 0.303 8.673 8.370 -0.000 0.000 0.531 171 S N -1.952 113.882 115.700 0.224 0.000 2.524 171 S HA 0.107 4.528 4.470 -0.081 0.000 0.215 171 S C 0.884 175.635 174.600 0.252 0.000 0.986 171 S CA -0.277 58.090 58.200 0.279 0.000 0.911 171 S CB 0.780 64.259 63.200 0.466 0.000 0.805 171 S HN 0.053 8.363 8.310 -0.000 0.000 0.501 172 T N 0.269 114.958 114.554 0.225 0.000 2.864 172 T HA 0.489 4.790 4.350 -0.081 0.000 0.299 172 T C -0.022 174.737 174.700 0.099 0.000 1.166 172 T CA -0.801 61.407 62.100 0.180 0.000 1.007 172 T CB 1.642 70.653 68.868 0.237 0.000 1.219 172 T HN 0.133 8.373 8.240 -0.000 0.000 0.506 173 R N 1.284 121.814 120.500 0.049 0.000 2.246 173 R HA 0.334 4.626 4.340 -0.081 0.000 0.199 173 R C 0.566 176.840 176.300 -0.043 0.000 0.984 173 R CA 0.162 56.264 56.100 0.004 0.000 1.015 173 R CB -0.039 30.255 30.300 -0.010 0.000 0.930 173 R HN 0.524 8.794 8.270 -0.000 0.000 0.475 174 I N 1.909 122.429 120.570 -0.083 0.000 2.634 174 I HA 0.004 4.126 4.170 -0.081 0.000 0.284 174 I C 0.793 176.839 176.117 -0.118 0.000 1.124 174 I CA -0.223 60.963 61.300 -0.189 0.000 1.417 174 I CB 0.543 38.271 38.000 -0.453 0.000 1.396 174 I HN -0.025 8.185 8.210 -0.000 0.000 0.571 175 R N 6.403 126.827 120.500 -0.128 0.000 2.296 175 R HA 0.246 4.537 4.340 -0.081 0.000 0.323 175 R C -0.648 175.629 176.300 -0.039 0.000 1.067 175 R CA -0.556 55.504 56.100 -0.067 0.000 0.946 175 R CB 0.271 30.527 30.300 -0.074 0.000 0.991 175 R HN 0.422 8.692 8.270 -0.000 0.000 0.448 176 I N 4.101 124.690 120.570 0.032 0.000 2.519 176 I HA 0.140 4.262 4.170 -0.081 0.000 0.287 176 I C 1.063 177.233 176.117 0.089 0.000 1.047 176 I CA 0.001 61.364 61.300 0.104 0.000 1.381 176 I CB 1.170 39.287 38.000 0.194 0.000 1.417 176 I HN 0.744 8.954 8.210 -0.000 0.000 0.540 177 T N 0.099 114.719 114.554 0.109 0.000 2.905 177 T HA 0.373 4.675 4.350 -0.081 0.000 0.283 177 T C 0.524 175.283 174.700 0.097 0.000 1.031 177 T CA -0.651 61.493 62.100 0.073 0.000 1.002 177 T CB 1.636 70.527 68.868 0.039 0.000 1.200 177 T HN 0.418 8.658 8.240 -0.000 0.000 0.560 178 D N 0.379 120.812 120.400 0.055 0.000 2.348 178 D HA -0.009 4.583 4.640 -0.081 0.000 0.216 178 D C 1.014 177.342 176.300 0.046 0.000 0.970 178 D CA 0.544 54.572 54.000 0.046 0.000 0.889 178 D CB -0.140 40.656 40.800 -0.008 0.000 0.912 178 D HN 0.448 8.818 8.370 -0.000 0.000 0.524 179 N N 0.318 119.056 118.700 0.062 0.000 2.370 179 N HA 0.065 4.757 4.740 -0.081 0.000 0.198 179 N C 0.277 175.915 175.510 0.213 0.000 1.156 179 N CA 0.233 53.336 53.050 0.088 0.000 0.839 179 N CB 0.354 38.855 38.487 0.023 0.000 0.989 179 N HN 0.372 8.752 8.380 -0.000 0.000 0.468 180 M N -0.583 119.171 119.600 0.258 0.000 2.575 180 M HA 0.575 5.007 4.480 -0.081 0.000 0.284 180 M C -1.283 175.210 176.300 0.321 0.000 1.253 180 M CA -1.187 54.266 55.300 0.255 0.000 0.861 180 M CB 2.353 35.121 32.600 0.280 0.000 1.733 180 M HN -0.121 8.169 8.290 -0.000 0.000 0.462 181 F N -0.132 119.889 119.950 0.118 0.000 2.626 181 F HA 0.931 5.410 4.527 -0.081 0.000 0.311 181 F C -0.926 174.741 175.800 -0.222 0.000 1.088 181 F CA -1.254 56.723 58.000 -0.038 0.000 0.949 181 F CB 0.976 39.903 39.000 -0.123 0.000 1.322 181 F HN 1.033 9.333 8.300 -0.000 0.000 0.461 182 c N 1.642 120.083 118.600 -0.266 0.000 2.595 182 c HA 1.030 5.552 4.570 -0.081 0.000 0.338 182 c C -0.503 173.456 174.090 -0.218 0.000 1.219 182 c CA -0.091 55.846 56.329 -0.654 0.000 1.811 182 c CB 0.813 42.471 42.510 -1.418 0.000 2.313 182 c HN 1.584 9.814 8.230 -0.000 0.000 0.499 183 A N 1.199 123.961 122.820 -0.096 0.000 2.517 183 A HA 0.701 4.973 4.320 -0.081 0.000 0.297 183 A C -1.395 176.281 177.584 0.154 0.000 1.050 183 A CA -0.479 51.578 52.037 0.034 0.000 0.694 183 A CB 0.515 19.526 19.000 0.018 0.000 1.277 183 A HN 0.915 9.065 8.150 -0.000 0.000 0.400 184 Y N 1.313 121.716 120.300 0.172 0.000 2.379 184 Y HA 0.203 4.704 4.550 -0.082 0.000 0.337 184 Y C 1.583 177.590 175.900 0.178 0.000 1.238 184 Y CA 0.271 58.463 58.100 0.152 0.000 1.405 184 Y CB 1.060 39.571 38.460 0.085 0.000 1.310 184 Y HN 0.732 9.012 8.280 -0.000 0.000 0.569 185 K N 1.289 121.908 120.400 0.365 0.000 2.400 185 K HA 0.017 4.289 4.320 -0.081 0.000 0.194 185 K C 0.079 176.776 176.600 0.162 0.000 1.033 185 K CA 0.128 56.584 56.287 0.283 0.000 1.021 185 K CB -0.015 32.636 32.500 0.252 0.000 0.808 185 K HN 0.603 8.853 8.250 -0.000 0.000 0.505 186 K N 1.484 121.669 120.400 -0.358 0.000 2.328 186 K HA -0.282 3.989 4.320 -0.081 0.000 0.237 186 K C 0.291 176.615 176.600 -0.460 0.000 1.157 186 K CA 1.284 57.262 56.287 -0.516 0.000 1.138 186 K CB -0.200 31.768 32.500 -0.888 0.000 0.646 186 K HN 0.366 8.616 8.250 -0.000 0.000 0.399 187 R N -0.794 119.589 120.500 -0.195 0.000 3.145 187 R HA 0.784 5.076 4.340 -0.081 0.000 0.253 187 R C -0.391 176.044 176.300 0.226 0.000 1.289 187 R CA -0.758 55.404 56.100 0.103 0.000 1.030 187 R CB 1.368 31.698 30.300 0.051 0.000 1.387 187 R HN 0.968 9.238 8.270 -0.000 0.000 0.466 188 G N 0.125 109.036 108.800 0.185 0.000 2.348 188 G HA2 0.293 4.204 3.960 -0.081 0.000 0.606 188 G HA3 0.293 4.204 3.960 -0.081 0.000 0.606 188 G C -2.040 172.948 174.900 0.146 0.000 1.466 188 G CA -0.134 45.060 45.100 0.157 0.000 0.950 188 G HN 0.758 9.048 8.290 -0.000 0.000 0.657 189 D N -0.890 119.581 120.400 0.117 0.000 2.710 189 D HA 0.750 5.342 4.640 -0.081 0.000 0.276 189 D C 0.264 176.632 176.300 0.113 0.000 1.267 189 D CA 0.655 54.726 54.000 0.118 0.000 0.772 189 D CB 1.536 42.386 40.800 0.083 0.000 1.299 189 D HN 1.260 9.630 8.370 -0.000 0.000 0.421 190 A N -0.022 122.873 122.820 0.125 0.000 2.246 190 A HA 0.765 5.037 4.320 -0.081 0.000 0.291 190 A C -0.022 177.613 177.584 0.086 0.000 1.103 190 A CA -0.177 51.927 52.037 0.113 0.000 0.844 190 A CB 0.827 19.909 19.000 0.135 0.000 1.136 190 A HN 0.663 8.813 8.150 -0.000 0.000 0.500 191 c N -1.233 117.421 118.600 0.091 0.000 3.292 191 c HA 0.623 5.145 4.570 -0.081 0.000 0.369 191 c C -0.259 173.901 174.090 0.115 0.000 1.664 191 c CA -0.416 55.970 56.329 0.096 0.000 1.204 191 c CB 0.877 43.441 42.510 0.091 0.000 1.978 191 c HN 1.054 9.284 8.230 -0.000 0.000 0.435 192 E N 0.075 120.351 120.200 0.126 0.000 2.502 192 E HA 0.389 4.691 4.350 -0.081 0.000 0.261 192 E C 1.009 177.699 176.600 0.150 0.000 0.974 192 E CA 2.267 58.752 56.400 0.142 0.000 0.936 192 E CB 0.141 29.931 29.700 0.150 0.000 0.926 192 E HN 1.431 9.791 8.360 -0.000 0.000 0.459 193 G N 4.179 113.078 108.800 0.164 0.000 2.258 193 G HA2 -0.277 3.635 3.960 -0.081 0.000 0.233 193 G HA3 -0.277 3.635 3.960 -0.081 0.000 0.233 193 G C 0.819 175.835 174.900 0.193 0.000 1.006 193 G CA 0.306 45.512 45.100 0.177 0.000 0.620 193 G HN 0.612 8.902 8.290 -0.000 0.000 0.511 194 D N 1.250 121.752 120.400 0.171 0.000 2.347 194 D HA 0.194 4.785 4.640 -0.081 0.000 0.213 194 D C 1.430 177.835 176.300 0.176 0.000 0.985 194 D CA 0.801 54.897 54.000 0.161 0.000 0.879 194 D CB 0.018 40.895 40.800 0.129 0.000 0.919 194 D HN 0.401 8.771 8.370 -0.000 0.000 0.526 195 S N -0.404 115.417 115.700 0.201 0.000 2.561 195 S HA 0.253 4.674 4.470 -0.081 0.000 0.294 195 S C 1.618 176.303 174.600 0.142 0.000 1.294 195 S CA 0.824 59.169 58.200 0.240 0.000 1.055 195 S CB 0.797 64.258 63.200 0.435 0.000 0.819 195 S HN 0.476 8.786 8.310 -0.000 0.000 0.503 196 G N 1.974 110.839 108.800 0.108 0.000 2.234 196 G HA2 -0.204 3.708 3.960 -0.081 0.000 0.260 196 G HA3 -0.204 3.708 3.960 -0.081 0.000 0.260 196 G C 0.446 175.433 174.900 0.145 0.000 0.987 196 G CA 0.029 45.171 45.100 0.070 0.000 0.625 196 G HN 1.158 9.448 8.290 -0.000 0.000 0.532 197 G N 0.815 109.719 108.800 0.175 0.000 2.634 197 G HA2 0.570 4.481 3.960 -0.081 0.000 0.255 197 G HA3 0.570 4.481 3.960 -0.081 0.000 0.255 197 G C -1.894 173.141 174.900 0.225 0.000 1.205 197 G CA -0.168 45.045 45.100 0.189 0.000 0.884 197 G HN 0.373 8.663 8.290 -0.000 0.000 0.549 198 P HA 0.278 4.698 4.420 -0.000 0.000 0.288 198 P C -1.398 176.058 177.300 0.260 0.000 1.267 198 P CA -0.452 62.787 63.100 0.231 0.000 0.815 198 P CB 1.381 33.190 31.700 0.181 0.000 0.989 199 F N 5.112 125.136 119.950 0.125 0.000 2.375 199 F HA 0.416 4.895 4.527 -0.080 0.000 0.361 199 F C -0.475 175.370 175.800 0.075 0.000 1.117 199 F CA -0.568 57.463 58.000 0.052 0.000 1.037 199 F CB 0.902 39.845 39.000 -0.094 0.000 1.192 199 F HN 0.203 8.503 8.300 -0.000 0.000 0.452 200 V N 4.068 123.893 119.914 -0.149 0.000 3.019 200 V HA 0.723 4.795 4.120 -0.081 0.000 0.317 200 V C -0.708 175.405 176.094 0.031 0.000 1.094 200 V CA -1.009 61.312 62.300 0.035 0.000 1.000 200 V CB 2.131 34.015 31.823 0.101 0.000 1.060 200 V HN 0.864 9.054 8.190 -0.000 0.000 0.443 201 M N 1.714 121.417 119.600 0.171 0.000 2.484 201 M HA 0.530 4.961 4.480 -0.081 0.000 0.289 201 M C -1.033 175.200 176.300 -0.113 0.000 1.206 201 M CA -0.536 54.792 55.300 0.047 0.000 0.892 201 M CB 2.837 35.455 32.600 0.030 0.000 1.712 201 M HN 0.802 9.092 8.290 -0.000 0.000 0.462 202 K N 0.961 121.044 120.400 -0.529 0.000 2.213 202 K HA 0.434 4.705 4.320 -0.081 0.000 0.270 202 K C 0.147 176.528 176.600 -0.365 0.000 1.002 202 K CA -0.185 55.594 56.287 -0.846 0.000 0.868 202 K CB 1.729 33.348 32.500 -1.469 0.000 1.093 202 K HN 0.732 8.982 8.250 -0.000 0.000 0.454 203 S N 3.520 119.121 115.700 -0.164 0.000 2.163 203 S HA -0.145 4.277 4.470 -0.081 0.000 0.151 203 S C 0.724 175.253 174.600 -0.118 0.000 1.382 203 S CA 1.130 59.295 58.200 -0.058 0.000 2.383 203 S CB -0.458 62.813 63.200 0.120 0.000 0.325 203 S HN 1.030 9.340 8.310 -0.000 0.000 0.349 204 N N 0.665 119.365 118.700 -0.001 0.000 2.139 204 N HA -0.374 4.318 4.740 -0.081 0.000 0.233 204 N C -0.036 175.467 175.510 -0.013 0.000 1.321 204 N CA 1.161 54.217 53.050 0.009 0.000 0.801 204 N CB -1.603 36.914 38.487 0.049 0.000 1.254 204 N HN 0.667 9.047 8.380 -0.000 0.000 0.625 205 N N -1.299 117.368 118.700 -0.055 0.000 2.713 205 N HA -0.185 4.506 4.740 -0.081 0.000 0.251 205 N C -0.795 174.633 175.510 -0.137 0.000 1.117 205 N CA 1.403 54.389 53.050 -0.107 0.000 0.770 205 N CB -0.546 37.903 38.487 -0.063 0.000 1.137 205 N HN 0.559 8.939 8.380 -0.000 0.000 0.566 206 R N -0.931 119.492 120.500 -0.128 0.000 2.536 206 R HA 0.400 4.692 4.340 -0.081 0.000 0.279 206 R C -0.518 175.578 176.300 -0.340 0.000 1.001 206 R CA -0.535 55.447 56.100 -0.197 0.000 1.027 206 R CB 0.678 30.805 30.300 -0.289 0.000 1.096 206 R HN 0.115 8.385 8.270 -0.000 0.000 0.502 207 W N 1.632 122.748 121.300 -0.307 0.000 2.351 207 W HA 0.276 4.892 4.660 -0.074 0.000 0.311 207 W C -0.541 175.611 176.519 -0.612 0.000 1.168 207 W CA 0.063 57.205 57.345 -0.339 0.000 1.200 207 W CB 0.596 29.858 29.460 -0.331 0.000 1.221 207 W HN 0.391 8.571 8.180 -0.000 0.000 0.519 208 Y N 1.276 121.557 120.300 -0.031 0.000 2.409 208 Y HA 0.223 4.725 4.550 -0.079 0.000 0.343 208 Y C 0.110 175.972 175.900 -0.063 0.000 0.973 208 Y CA -1.375 56.680 58.100 -0.075 0.000 1.064 208 Y CB 1.850 40.279 38.460 -0.053 0.000 1.207 208 Y HN 0.308 8.588 8.280 -0.000 0.000 0.452 209 Q N 3.389 123.226 119.800 0.061 0.000 2.337 209 Q HA 0.217 4.509 4.340 -0.081 0.000 0.255 209 Q C -0.021 176.095 176.000 0.193 0.000 0.997 209 Q CA -0.314 55.538 55.803 0.081 0.000 0.925 209 Q CB 0.621 29.374 28.738 0.026 0.000 1.212 209 Q HN 0.754 9.024 8.270 -0.000 0.000 0.436 210 M N 2.053 121.809 119.600 0.260 0.000 2.516 210 M HA 0.304 4.736 4.480 -0.081 0.000 0.259 210 M C 0.666 177.157 176.300 0.318 0.000 1.146 210 M CA 0.484 55.915 55.300 0.219 0.000 1.122 210 M CB 0.392 33.072 32.600 0.134 0.000 1.341 210 M HN 0.598 8.888 8.290 -0.000 0.000 0.478 211 G N 0.317 109.372 108.800 0.426 0.000 2.708 211 G HA2 0.734 4.646 3.960 -0.081 0.000 0.289 211 G HA3 0.734 4.646 3.960 -0.081 0.000 0.289 211 G C -1.557 173.545 174.900 0.338 0.000 1.416 211 G CA -0.585 44.741 45.100 0.377 0.000 0.829 211 G HN 0.115 8.405 8.290 -0.000 0.000 0.480 212 I N 0.422 121.164 120.570 0.287 0.000 2.498 212 I HA 0.273 4.395 4.170 -0.081 0.000 0.290 212 I C -0.028 176.248 176.117 0.265 0.000 1.032 212 I CA -1.064 60.398 61.300 0.270 0.000 1.073 212 I CB 2.435 40.552 38.000 0.195 0.000 1.251 212 I HN 0.161 8.371 8.210 -0.000 0.000 0.426 213 V N 5.145 125.224 119.914 0.276 0.000 2.475 213 V HA -0.044 4.028 4.120 -0.081 0.000 0.292 213 V C 0.849 176.988 176.094 0.075 0.000 1.003 213 V CA 0.779 63.123 62.300 0.072 0.000 1.120 213 V CB 0.674 32.588 31.823 0.152 0.000 0.937 213 V HN 0.966 9.156 8.190 -0.000 0.000 0.476 214 S N 5.283 120.930 115.700 -0.088 0.000 2.783 214 S HA 0.350 4.772 4.470 -0.081 0.000 0.205 214 S C 0.008 174.705 174.600 0.161 0.000 0.910 214 S CA -0.010 58.287 58.200 0.163 0.000 0.861 214 S CB 0.474 63.767 63.200 0.154 0.000 0.830 214 S HN 0.864 9.174 8.310 -0.000 0.000 0.630 215 W N -0.111 121.126 121.300 -0.104 0.000 3.025 215 W HA 0.681 5.292 4.660 -0.081 0.000 0.343 215 W C -0.612 175.899 176.519 -0.013 0.000 1.246 215 W CA -0.769 56.516 57.345 -0.099 0.000 1.178 215 W CB 0.450 29.831 29.460 -0.131 0.000 1.463 215 W HN 0.537 8.717 8.180 -0.000 0.000 0.578 216 G N 0.453 109.416 108.800 0.272 0.000 2.632 216 G HA2 0.453 4.365 3.960 -0.081 0.000 0.292 216 G HA3 0.453 4.365 3.960 -0.081 0.000 0.292 216 G C -1.791 173.266 174.900 0.261 0.000 1.465 216 G CA -0.853 44.357 45.100 0.184 0.000 0.824 216 G HN 0.477 8.767 8.290 -0.000 0.000 0.509 220 c N 0.727 119.368 118.600 0.069 0.000 3.206 220 c HA 0.792 5.313 4.570 -0.081 0.000 0.206 220 c C 0.202 174.323 174.090 0.051 0.000 1.836 220 c CA -0.505 55.863 56.329 0.065 0.000 1.382 220 c CB -1.424 41.134 42.510 0.079 0.000 2.405 220 c HN 0.591 8.821 8.230 -0.000 0.000 0.516 221 R N 0.279 120.774 120.500 -0.007 0.000 3.329 221 R HA 0.161 4.452 4.340 -0.081 0.000 0.251 221 R C -2.110 174.155 176.300 -0.058 0.000 1.023 221 R CA -0.708 55.383 56.100 -0.014 0.000 1.009 221 R CB 0.754 31.055 30.300 0.002 0.000 1.250 221 R HN 0.163 8.433 8.270 -0.000 0.000 0.518 222 D N 0.341 120.717 120.400 -0.040 0.000 2.423 222 D HA 0.258 4.850 4.640 -0.081 0.000 0.238 222 D C 1.459 177.708 176.300 -0.086 0.000 1.142 222 D CA 1.956 55.922 54.000 -0.057 0.000 0.884 222 D CB 0.781 41.572 40.800 -0.015 0.000 1.199 222 D HN 0.747 9.117 8.370 -0.000 0.000 0.438 223 G N 0.770 109.489 108.800 -0.136 0.000 2.212 223 G HA2 -0.266 3.646 3.960 -0.081 0.000 0.266 223 G HA3 -0.266 3.646 3.960 -0.081 0.000 0.266 223 G C 0.249 175.020 174.900 -0.215 0.000 0.978 223 G CA 0.428 45.466 45.100 -0.103 0.000 0.632 223 G HN 0.420 8.710 8.290 -0.000 0.000 0.537 224 K N -0.296 119.890 120.400 -0.357 0.000 2.208 224 K HA 0.787 5.059 4.320 -0.081 0.000 0.247 224 K C -0.769 175.449 176.600 -0.637 0.000 0.953 224 K CA -0.765 55.357 56.287 -0.275 0.000 0.837 224 K CB 1.482 33.949 32.500 -0.055 0.000 1.131 224 K HN 0.254 8.504 8.250 -0.000 0.000 0.431 225 Y N -1.401 118.922 120.300 0.038 0.000 2.576 225 Y HA 0.488 4.989 4.550 -0.081 0.000 0.346 225 Y C 0.814 176.606 175.900 -0.179 0.000 1.018 225 Y CA -1.192 56.852 58.100 -0.093 0.000 1.050 225 Y CB 1.947 40.268 38.460 -0.231 0.000 1.280 225 Y HN 0.689 8.969 8.280 -0.000 0.000 0.474 226 G N 0.923 109.683 108.800 -0.067 0.000 2.395 226 G HA2 0.491 4.403 3.960 -0.081 0.000 0.283 226 G HA3 0.491 4.403 3.960 -0.081 0.000 0.283 226 G C -1.496 173.013 174.900 -0.651 0.000 1.178 226 G CA -0.173 44.772 45.100 -0.259 0.000 0.837 226 G HN 0.320 8.610 8.290 -0.000 0.000 0.518 227 F N 0.229 119.594 119.950 -0.974 0.000 2.458 227 F HA 0.600 5.078 4.527 -0.081 0.000 0.330 227 F C -0.398 174.666 175.800 -1.228 0.000 1.082 227 F CA -0.371 56.980 58.000 -1.080 0.000 0.995 227 F CB 2.099 40.086 39.000 -1.687 0.000 1.170 227 F HN 0.332 8.632 8.300 -0.000 0.000 0.478 228 Y N -0.335 119.565 120.300 -0.668 0.000 2.512 228 Y HA 0.412 4.912 4.550 -0.082 0.000 0.348 228 Y C 0.043 175.657 175.900 -0.476 0.000 0.990 228 Y CA -1.380 56.322 58.100 -0.664 0.000 1.033 228 Y CB 1.699 39.416 38.460 -1.238 0.000 1.259 228 Y HN 0.395 8.675 8.280 -0.000 0.000 0.461 229 T N 2.336 116.874 114.554 -0.027 0.000 2.870 229 T HA -0.016 4.286 4.350 -0.081 0.000 0.300 229 T C -0.289 174.536 174.700 0.209 0.000 0.989 229 T CA -0.145 62.020 62.100 0.109 0.000 1.139 229 T CB -0.091 68.864 68.868 0.145 0.000 0.920 229 T HN 0.461 8.701 8.240 -0.000 0.000 0.537 230 H N 4.262 123.454 119.070 0.204 0.000 3.067 230 H HA 0.180 4.688 4.556 -0.080 0.000 0.265 230 H C 0.963 176.437 175.328 0.244 0.000 1.234 230 H CA -0.529 55.723 56.048 0.340 0.000 1.452 230 H CB 0.026 29.968 29.762 0.300 0.000 1.527 230 H HN 0.385 8.665 8.280 -0.000 0.000 0.486 231 V N 6.059 126.228 119.914 0.424 0.000 2.287 231 V HA -0.288 3.784 4.120 -0.081 0.000 0.248 231 V C 2.225 178.537 176.094 0.363 0.000 1.053 231 V CA 1.848 64.354 62.300 0.344 0.000 1.027 231 V CB -0.898 31.096 31.823 0.285 0.000 0.646 231 V HN 0.601 8.791 8.190 -0.000 0.000 0.447 232 F N 1.312 121.469 119.950 0.345 0.000 2.161 232 F HA -0.164 4.314 4.527 -0.081 0.000 0.300 232 F C 2.505 178.418 175.800 0.190 0.000 1.089 232 F CA 1.624 59.777 58.000 0.255 0.000 1.282 232 F CB -0.379 38.770 39.000 0.248 0.000 1.010 232 F HN -0.012 8.288 8.300 -0.000 0.000 0.485 233 R N -0.569 119.888 120.500 -0.073 0.000 2.237 233 R HA -0.068 4.223 4.340 -0.081 0.000 0.219 233 R C 0.914 177.107 176.300 -0.179 0.000 1.080 233 R CA 0.576 56.478 56.100 -0.330 0.000 0.995 233 R CB -0.184 29.898 30.300 -0.363 0.000 0.875 233 R HN 0.239 8.509 8.270 -0.000 0.000 0.462 234 L N 0.041 121.254 121.223 -0.017 0.000 2.769 234 L HA 0.141 4.432 4.340 -0.081 0.000 0.240 234 L C 1.646 178.615 176.870 0.165 0.000 1.163 234 L CA 0.592 55.501 54.840 0.115 0.000 0.962 234 L CB -0.034 42.140 42.059 0.192 0.000 1.258 234 L HN -0.041 8.189 8.230 -0.000 0.000 0.513 235 K N 0.245 120.646 120.400 0.002 0.000 2.148 235 K HA -0.149 4.122 4.320 -0.081 0.000 0.204 235 K C 1.812 178.414 176.600 0.004 0.000 1.050 235 K CA 1.174 57.472 56.287 0.018 0.000 0.942 235 K CB 0.333 32.827 32.500 -0.010 0.000 0.724 235 K HN 0.190 8.440 8.250 -0.000 0.000 0.446 236 K N -0.575 119.817 120.400 -0.014 0.000 2.097 236 K HA -0.201 4.071 4.320 -0.081 0.000 0.206 236 K C 1.780 178.395 176.600 0.025 0.000 1.049 236 K CA 1.649 57.935 56.287 -0.001 0.000 0.933 236 K CB -0.255 32.247 32.500 0.004 0.000 0.717 236 K HN 0.304 8.554 8.250 -0.000 0.000 0.442 237 W N 1.862 123.131 121.300 -0.053 0.000 2.355 237 W HA -0.129 4.482 4.660 -0.082 0.000 0.309 237 W C 1.507 177.958 176.519 -0.113 0.000 1.206 237 W CA 1.211 58.513 57.345 -0.071 0.000 1.284 237 W CB -0.315 29.133 29.460 -0.020 0.000 1.145 237 W HN -0.096 8.084 8.180 -0.000 0.000 0.502 238 I N 0.535 120.981 120.570 -0.207 0.000 2.118 238 I HA -0.416 3.705 4.170 -0.081 0.000 0.241 238 I C 2.696 178.478 176.117 -0.559 0.000 1.070 238 I CA 2.217 63.222 61.300 -0.491 0.000 1.327 238 I CB -0.913 36.998 38.000 -0.147 0.000 1.034 238 I HN 0.143 8.353 8.210 -0.000 0.000 0.405 239 Q N 1.161 120.764 119.800 -0.329 0.000 2.124 239 Q HA -0.272 4.020 4.340 -0.081 0.000 0.202 239 Q C 2.238 178.037 176.000 -0.336 0.000 0.977 239 Q CA 1.717 57.346 55.803 -0.290 0.000 0.850 239 Q CB -0.002 28.659 28.738 -0.130 0.000 0.901 239 Q HN 0.360 8.630 8.270 -0.000 0.000 0.429 240 K N -0.008 120.189 120.400 -0.339 0.000 2.002 240 K HA -0.151 4.120 4.320 -0.081 0.000 0.209 240 K C 1.973 178.315 176.600 -0.429 0.000 1.048 240 K CA 1.692 57.794 56.287 -0.308 0.000 0.930 240 K CB -0.266 32.089 32.500 -0.240 0.000 0.714 240 K HN 0.278 8.528 8.250 -0.000 0.000 0.438 241 V N -0.474 119.020 119.914 -0.699 0.000 2.913 241 V HA -0.086 3.985 4.120 -0.081 0.000 0.260 241 V C 1.819 177.471 176.094 -0.736 0.000 1.098 241 V CA 1.253 63.105 62.300 -0.746 0.000 1.121 241 V CB -0.389 30.796 31.823 -1.064 0.000 0.714 241 V HN 0.299 8.489 8.190 -0.000 0.000 0.487 242 I N 0.628 120.731 120.570 -0.778 0.000 2.584 242 I HA -0.053 4.069 4.170 -0.081 0.000 0.255 242 I C 1.212 177.098 176.117 -0.385 0.000 1.145 242 I CA 1.234 62.077 61.300 -0.762 0.000 1.462 242 I CB -0.549 36.924 38.000 -0.878 0.000 1.102 242 I HN 0.351 8.561 8.210 -0.000 0.000 0.433 243 D N 0.911 121.118 120.400 -0.322 0.000 2.782 243 D HA -0.288 4.304 4.640 -0.081 0.000 0.230 243 D C 1.285 177.452 176.300 -0.222 0.000 1.165 243 D CA 0.870 54.753 54.000 -0.195 0.000 0.664 243 D CB -0.984 39.746 40.800 -0.116 0.000 1.056 243 D HN 0.610 8.980 8.370 -0.000 0.000 0.423 244 Q N -1.192 118.360 119.800 -0.413 0.000 2.468 244 Q HA -0.177 4.115 4.340 -0.081 0.000 0.216 244 Q C 0.262 175.831 176.000 -0.718 0.000 0.991 244 Q CA 1.012 56.444 55.803 -0.617 0.000 0.900 244 Q CB -0.164 28.009 28.738 -0.941 0.000 0.930 244 Q HN 0.474 8.744 8.270 -0.000 0.000 0.473 245 F N 0.000 119.940 119.950 -0.017 0.000 2.286 245 F HA 0.000 4.479 4.527 -0.080 0.000 0.279 245 F CA 0.000 57.996 58.000 -0.007 0.000 1.383 245 F CB 0.000 38.994 39.000 -0.010 0.000 1.145 245 F HN 0.000 8.300 8.300 -0.000 0.000 0.574