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 1c5x_1_B DATA FIRST_RESID 16 DATA SEQUENCE IIGGEFTTIE NQPWFAAIYR RSVTYVcGGS LMSPcWVISA THcFPKEDYI DATA SEQUENCE VYLGRSRLNS NTQGEMKFEV ENLILHKDYS ALAHHNDIAL LKIRRcAQPS DATA SEQUENCE RTIQTICLPS MYNDPQFGTS cEITGFGKEA STDYLYPEQL KMTVVKLISH DATA SEQUENCE REcQHYYGSE VTTKMLcAAQ WKTDScQGDS GGPLVcSLQG RMTLTGIVSW DATA SEQUENCE GRXGcALDKP GVYTRVSHFL PWIRSHTKEE 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 0.000 176.098 176.117 -0.032 0.000 1.063 16 I CA 0.000 61.283 61.300 -0.028 0.000 1.566 16 I CB 0.000 37.952 38.000 -0.080 0.000 1.214 17 I N 4.980 125.543 120.570 -0.012 0.000 2.342 17 I HA 0.372 4.690 4.170 -0.014 -0.156 0.291 17 I C 0.589 176.682 176.117 -0.040 0.000 1.010 17 I CA -2.476 58.818 61.300 -0.011 0.000 1.308 17 I CB -1.251 36.763 38.000 0.023 0.000 1.400 17 I HN 0.335 8.548 8.210 0.004 0.000 0.488 18 G N 4.819 113.579 108.800 -0.067 0.000 2.584 18 G HA2 -0.359 3.549 3.960 -0.086 0.000 0.229 18 G HA3 -0.359 3.565 3.960 -0.060 0.000 0.229 18 G C -1.202 173.614 174.900 -0.140 0.000 1.320 18 G CA -0.294 44.755 45.100 -0.085 0.000 0.891 18 G HN 0.256 8.506 8.290 -0.067 0.000 0.573 19 G N 1.317 110.038 108.800 -0.131 0.000 2.698 19 G HA2 -0.392 3.513 3.960 -0.125 0.000 0.225 19 G HA3 -0.392 3.497 3.960 -0.184 -0.040 0.225 19 G C -1.518 173.251 174.900 -0.218 0.000 1.345 19 G CA -0.362 44.639 45.100 -0.163 0.000 0.871 19 G HN -0.123 8.107 8.290 -0.100 0.000 0.540 20 E N -2.273 117.787 120.200 -0.234 0.000 2.410 20 E HA 0.387 4.573 4.350 -0.274 0.000 0.269 20 E C -1.261 175.166 176.600 -0.287 0.000 0.937 20 E CA -2.165 54.098 56.400 -0.229 0.000 0.793 20 E CB 2.918 32.559 29.700 -0.097 0.000 1.314 20 E HN 0.082 8.318 8.360 -0.206 0.000 0.447 21 F N 0.014 119.930 119.950 -0.056 0.000 2.379 21 F HA 0.506 5.112 4.527 -0.088 -0.132 0.332 21 F C 0.732 176.482 175.800 -0.083 0.000 1.096 21 F CA 0.524 58.483 58.000 -0.069 0.000 1.105 21 F CB 1.959 40.934 39.000 -0.043 0.000 1.189 21 F HN 0.278 8.578 8.300 0.001 0.000 0.515 22 T N -1.931 112.668 114.554 0.074 0.000 2.626 22 T HA 0.386 4.740 4.350 0.006 0.000 0.279 22 T C -1.937 172.744 174.700 -0.031 0.000 0.983 22 T CA -2.529 59.562 62.100 -0.015 0.000 1.059 22 T CB 2.663 71.477 68.868 -0.091 0.000 1.396 22 T HN 0.634 8.806 8.240 0.075 0.113 0.519 23 T N -3.880 110.636 114.554 -0.062 0.000 2.887 23 T HA 0.224 4.550 4.350 -0.040 0.000 0.292 23 T C 0.363 175.005 174.700 -0.097 0.000 1.087 23 T CA -1.973 60.094 62.100 -0.055 0.000 1.009 23 T CB 2.490 71.338 68.868 -0.033 0.000 1.203 23 T HN -0.609 7.587 8.240 -0.074 0.000 0.518 24 I N 1.794 122.322 120.570 -0.070 0.000 2.614 24 I HA -0.258 3.827 4.170 -0.141 0.000 0.258 24 I C 1.192 177.228 176.117 -0.136 0.000 1.189 24 I CA 0.713 61.958 61.300 -0.091 0.000 1.462 24 I CB 0.245 38.247 38.000 0.003 0.000 1.092 24 I HN 0.624 8.817 8.210 -0.029 0.000 0.442 25 E N -2.857 117.285 120.200 -0.098 0.000 2.219 25 E HA -0.286 4.002 4.350 -0.104 0.000 0.198 25 E C 0.502 177.006 176.600 -0.161 0.000 0.998 25 E CA 2.446 58.783 56.400 -0.106 0.000 0.818 25 E CB -0.805 28.857 29.700 -0.063 0.000 0.741 25 E HN 0.543 8.832 8.360 -0.067 0.030 0.477 26 N N -3.650 114.949 118.700 -0.169 0.000 2.422 26 N HA -0.035 4.619 4.740 -0.143 0.000 0.181 26 N C -0.300 175.022 175.510 -0.312 0.000 1.080 26 N CA 1.147 54.088 53.050 -0.182 0.000 0.893 26 N CB 0.962 39.377 38.487 -0.122 0.000 0.973 26 N HN -0.617 7.627 8.380 -0.145 0.048 0.456 27 Q N -2.635 116.891 119.800 -0.456 0.000 3.007 27 Q HA 0.486 4.125 4.340 -1.168 0.000 0.321 27 Q C -1.988 173.450 176.000 -0.936 0.000 0.784 27 Q CA -2.021 53.312 55.803 -0.783 0.000 0.990 27 Q CB 0.239 28.741 28.738 -0.393 0.000 1.493 27 Q HN -0.061 7.804 8.270 -0.358 0.191 0.382 28 P HA 0.042 4.476 4.420 -0.261 -0.171 0.234 28 P C -0.218 176.936 177.300 -0.244 0.000 1.167 28 P CA 1.563 64.388 63.100 -0.458 0.000 0.763 28 P CB 0.056 31.571 31.700 -0.309 0.000 0.835 29 W N -4.573 116.798 121.300 0.117 0.000 3.220 29 W HA 0.405 5.252 4.660 0.075 -0.142 0.328 29 W C -1.288 175.306 176.519 0.124 0.000 1.205 29 W CA -3.471 53.932 57.345 0.097 0.000 1.773 29 W CB -0.872 28.631 29.460 0.072 0.000 1.086 29 W HN -0.692 6.389 8.180 -1.686 0.088 0.622 30 F N 4.056 123.999 119.950 -0.013 0.000 2.456 30 F HA 0.365 5.167 4.527 0.203 -0.153 0.358 30 F C -2.044 173.832 175.800 0.127 0.000 1.095 30 F CA -0.349 57.705 58.000 0.091 0.000 1.216 30 F CB 2.002 40.981 39.000 -0.035 0.000 1.125 30 F HN -0.208 7.893 8.300 -0.045 0.172 0.549 31 A N 6.627 129.065 122.820 -0.638 0.000 2.355 31 A HA 0.778 5.209 4.320 -0.051 -0.142 0.317 31 A C -2.506 174.780 177.584 -0.496 0.000 1.094 31 A CA -2.264 49.583 52.037 -0.318 0.000 0.764 31 A CB 3.371 22.283 19.000 -0.146 0.000 1.230 31 A HN 0.466 7.964 8.150 -0.926 0.096 0.448 32 A N 3.150 125.988 122.820 0.031 0.000 2.271 32 A HA 0.456 4.933 4.320 0.261 0.000 0.317 32 A C -1.971 175.773 177.584 0.268 0.000 1.245 32 A CA -1.872 50.352 52.037 0.311 0.000 0.857 32 A CB 1.617 21.024 19.000 0.679 0.000 1.175 32 A HN 0.809 9.086 8.150 0.212 0.000 0.512 33 I N 3.869 124.425 120.570 -0.023 0.000 2.377 33 I HA 0.641 5.146 4.170 0.281 -0.167 0.293 33 I C -1.087 174.947 176.117 -0.140 0.000 0.987 33 I CA -1.082 60.239 61.300 0.036 0.000 1.185 33 I CB 1.642 39.628 38.000 -0.024 0.000 1.341 33 I HN 0.171 8.266 8.210 -0.192 0.000 0.455 34 Y N 4.816 125.261 120.300 0.243 0.000 2.633 34 Y HA 0.681 5.446 4.550 0.177 -0.109 0.339 34 Y C -1.295 174.745 175.900 0.234 0.000 1.045 34 Y CA -2.004 56.239 58.100 0.238 0.000 1.098 34 Y CB 4.547 43.181 38.460 0.290 0.000 1.296 34 Y HN 0.906 9.544 8.280 0.595 0.000 0.494 35 R N -0.794 119.876 120.500 0.283 0.000 2.750 35 R HA 0.847 5.323 4.340 -0.079 -0.183 0.281 35 R C -1.428 174.895 176.300 0.039 0.000 0.972 35 R CA -2.064 54.042 56.100 0.010 0.000 0.912 35 R CB 4.766 34.979 30.300 -0.144 0.000 1.187 35 R HN 0.701 9.153 8.270 0.303 0.000 0.464 36 R N 3.987 124.466 120.500 -0.034 0.000 2.428 36 R HA 0.258 4.618 4.340 0.033 0.000 0.294 36 R C -0.755 175.529 176.300 -0.027 0.000 1.000 36 R CA -0.635 55.462 56.100 -0.005 0.000 0.960 36 R CB 1.071 31.366 30.300 -0.009 0.000 1.076 36 R HN 0.616 8.814 8.270 -0.120 0.000 0.475 37 S N 0.908 116.618 115.700 0.016 0.000 3.309 37 S HA -0.364 4.120 4.470 0.023 0.000 0.475 37 S C -0.673 173.953 174.600 0.043 0.000 1.207 37 S CA 1.210 59.426 58.200 0.027 0.000 0.905 37 S CB 0.231 63.449 63.200 0.030 0.000 0.735 37 S HN 0.142 8.461 8.310 0.014 0.000 0.396 38 V N -1.463 118.490 119.914 0.065 0.000 2.540 38 V HA 0.632 5.014 4.120 0.107 -0.198 0.302 38 V C -0.852 175.353 176.094 0.186 0.000 1.035 38 V CA -1.622 60.747 62.300 0.114 0.000 0.873 38 V CB 2.091 33.964 31.823 0.082 0.000 0.992 38 V HN -0.143 8.081 8.190 0.056 0.000 0.428 39 T N 1.747 116.443 114.554 0.237 0.000 2.924 39 T HA 0.229 4.743 4.350 0.274 0.000 0.291 39 T C -1.671 173.257 174.700 0.380 0.000 1.045 39 T CA -2.161 60.101 62.100 0.269 0.000 1.015 39 T CB 2.372 71.337 68.868 0.162 0.000 1.103 39 T HN 0.260 8.627 8.240 0.212 0.000 0.496 40 Y N 3.861 124.286 120.300 0.208 0.000 2.336 40 Y HA -0.029 4.359 4.550 -0.270 0.000 0.331 40 Y C -1.240 174.707 175.900 0.079 0.000 1.211 40 Y CA 1.101 59.197 58.100 -0.006 0.000 1.346 40 Y CB 0.948 39.393 38.460 -0.025 0.000 1.271 40 Y HN 0.229 8.768 8.280 0.432 0.000 0.538 41 V N 5.417 124.986 119.914 -0.574 0.000 3.050 41 V HA 0.011 4.051 4.120 -0.134 0.000 0.223 41 V C -1.281 174.422 176.094 -0.652 0.000 1.162 41 V CA 0.767 62.834 62.300 -0.388 0.000 1.247 41 V CB 1.995 33.697 31.823 -0.201 0.000 1.125 41 V HN 0.468 8.029 8.190 -1.049 0.000 0.508 42 c N -5.126 112.942 118.600 -0.887 0.000 3.340 42 c HA 0.171 4.474 4.570 -0.446 0.000 0.333 42 c C -1.809 171.995 174.090 -0.478 0.000 1.464 42 c CA -0.672 55.297 56.329 -0.600 0.000 1.337 42 c CB 3.983 46.225 42.510 -0.446 0.000 1.740 42 c HN -0.739 6.968 8.230 -0.873 0.000 0.450 43 G N -1.411 107.330 108.800 -0.098 0.000 2.552 43 G HA2 0.802 4.819 3.960 -0.114 0.000 0.318 43 G HA3 0.802 4.894 3.960 0.220 0.000 0.318 43 G C -2.416 172.385 174.900 -0.165 0.000 1.240 43 G CA -1.460 43.616 45.100 -0.040 0.000 1.002 43 G HN 0.274 8.527 8.290 -0.061 0.000 0.493 44 G N -3.571 105.034 108.800 -0.326 0.000 2.606 44 G HA2 0.651 4.858 3.960 -0.048 0.000 0.300 44 G HA3 0.651 4.543 3.960 -0.113 0.000 0.300 44 G C -2.809 172.014 174.900 -0.127 0.000 1.360 44 G CA 0.151 45.166 45.100 -0.142 0.000 0.783 44 G HN -0.210 7.621 8.290 -0.764 0.000 0.484 45 S N -0.990 114.709 115.700 -0.002 0.000 2.541 45 S HA 0.941 5.736 4.470 0.150 -0.235 0.280 45 S C -1.568 173.081 174.600 0.082 0.000 1.112 45 S CA -0.848 57.413 58.200 0.101 0.000 0.925 45 S CB 4.341 67.620 63.200 0.131 0.000 1.067 45 S HN 0.370 8.683 8.310 0.004 0.000 0.479 46 L N 4.189 125.491 121.223 0.132 0.000 2.290 46 L HA 0.236 4.734 4.340 0.051 -0.128 0.284 46 L C -1.028 175.898 176.870 0.094 0.000 1.078 46 L CA -0.043 54.853 54.840 0.093 0.000 0.815 46 L CB 0.994 43.115 42.059 0.103 0.000 1.162 46 L HN 0.352 8.718 8.230 0.227 0.000 0.435 47 M N 5.584 125.231 119.600 0.079 0.000 2.556 47 M HA 0.128 4.622 4.480 0.024 0.000 0.264 47 M C 0.116 176.454 176.300 0.063 0.000 1.163 47 M CA 2.172 57.505 55.300 0.054 0.000 1.186 47 M CB 1.622 34.249 32.600 0.045 0.000 1.321 47 M HN 0.569 8.915 8.290 0.093 0.000 0.485 48 S N -4.040 111.721 115.700 0.102 0.000 2.671 48 S HA 0.433 4.947 4.470 0.074 0.000 0.277 48 S C -1.698 172.950 174.600 0.079 0.000 1.165 48 S CA -2.026 56.236 58.200 0.103 0.000 0.822 48 S CB 0.935 64.225 63.200 0.149 0.000 1.150 48 S HN -0.829 7.559 8.310 0.129 0.000 0.479 49 P HA -0.212 4.200 4.420 -0.013 0.000 0.216 49 P C -0.038 177.197 177.300 -0.109 0.000 1.154 49 P CA 2.604 65.698 63.100 -0.010 0.000 0.865 49 P CB 0.103 31.810 31.700 0.012 0.000 0.789 50 c N -8.395 110.137 118.600 -0.112 0.000 3.038 50 c HA 0.291 4.637 4.570 -0.373 0.000 0.279 50 c C -0.954 172.829 174.090 -0.512 0.000 1.276 50 c CA -0.903 55.217 56.329 -0.349 0.000 1.697 50 c CB -0.798 41.460 42.510 -0.419 0.000 2.032 50 c HN 0.178 8.396 8.230 0.008 0.017 0.636 51 W N -1.338 119.888 121.300 -0.125 0.000 2.656 51 W HA 0.405 5.147 4.660 -0.132 -0.161 0.327 51 W C -1.676 174.776 176.519 -0.112 0.000 1.041 51 W CA -1.048 56.226 57.345 -0.118 0.000 1.229 51 W CB 2.749 32.154 29.460 -0.093 0.000 1.397 51 W HN -0.515 7.618 8.180 0.112 0.113 0.479 52 V N 2.504 122.496 119.914 0.130 0.000 2.715 52 V HA 0.767 5.084 4.120 0.054 -0.165 0.310 52 V C -1.932 174.209 176.094 0.078 0.000 1.054 52 V CA -1.574 60.755 62.300 0.049 0.000 0.928 52 V CB 3.804 35.602 31.823 -0.041 0.000 1.007 52 V HN 0.644 8.906 8.190 0.120 0.000 0.437 53 I N 5.377 125.979 120.570 0.054 0.000 2.530 53 I HA 0.870 5.244 4.170 0.060 -0.168 0.297 53 I C -2.215 173.919 176.117 0.029 0.000 1.011 53 I CA -2.504 58.826 61.300 0.050 0.000 1.107 53 I CB 2.880 40.912 38.000 0.053 0.000 1.285 53 I HN 0.737 8.973 8.210 0.045 0.000 0.436 54 S N 6.631 122.349 115.700 0.030 0.000 3.341 54 S HA 0.526 5.196 4.470 0.005 -0.197 0.326 54 S C -2.051 172.543 174.600 -0.011 0.000 1.178 54 S CA -1.850 56.365 58.200 0.026 0.000 1.002 54 S CB 2.125 65.392 63.200 0.112 0.000 1.385 54 S HN 0.536 8.867 8.310 0.035 0.000 0.710 55 A N -1.069 121.717 122.820 -0.057 0.000 2.342 55 A HA 0.524 4.889 4.320 -0.158 -0.140 0.323 55 A C 0.726 178.197 177.584 -0.188 0.000 1.125 55 A CA -1.451 50.474 52.037 -0.186 0.000 0.785 55 A CB 1.883 20.671 19.000 -0.352 0.000 1.221 55 A HN 0.163 8.283 8.150 -0.051 0.000 0.463 56 T N 6.332 120.749 114.554 -0.229 0.000 2.720 56 T HA -0.403 3.932 4.350 -0.024 0.000 0.268 56 T C 1.245 175.681 174.700 -0.440 0.000 1.037 56 T CA 5.092 67.021 62.100 -0.286 0.000 1.144 56 T CB -0.148 68.426 68.868 -0.490 0.000 0.864 56 T HN 0.432 8.535 8.240 -0.236 -0.005 0.444 57 H N -0.770 117.951 119.070 -0.581 0.000 2.518 57 H HA -0.272 4.008 4.556 -0.460 0.000 0.292 57 H C 0.880 175.992 175.328 -0.361 0.000 1.068 57 H CA 2.534 58.296 56.048 -0.475 0.000 1.275 57 H CB -0.789 28.602 29.762 -0.619 0.000 1.375 57 H HN -0.004 8.339 8.280 -0.509 -0.368 0.563 58 c N -1.860 116.309 118.600 -0.719 0.000 2.446 58 c HA -0.181 4.077 4.570 -0.521 0.000 0.279 58 c C -0.123 173.422 174.090 -0.909 0.000 1.366 58 c CA 2.062 57.881 56.329 -0.850 0.000 1.763 58 c CB -1.577 40.202 42.510 -1.219 0.000 1.929 58 c HN -0.697 6.925 8.230 -0.763 0.150 0.509 59 F N -1.842 117.982 119.950 -0.209 0.000 2.461 59 F HA 0.446 4.957 4.527 -0.026 0.000 0.332 59 F C -0.967 174.812 175.800 -0.035 0.000 1.073 59 F CA -2.524 55.401 58.000 -0.126 0.000 1.017 59 F CB 0.716 39.571 39.000 -0.241 0.000 1.301 59 F HN -0.522 7.387 8.300 -0.416 0.141 0.492 60 P HA 0.326 4.928 4.420 0.303 0.000 0.424 60 P C -1.590 175.833 177.300 0.204 0.000 1.312 60 P CA -0.185 63.051 63.100 0.228 0.000 1.557 60 P CB 0.340 32.122 31.700 0.137 0.000 2.243 61 K N 0.754 121.306 120.400 0.252 0.000 2.168 61 K HA 0.267 4.657 4.320 0.117 0.000 0.239 61 K C 0.822 177.556 176.600 0.223 0.000 0.999 61 K CA -1.448 54.932 56.287 0.156 0.000 0.900 61 K CB 1.056 33.596 32.500 0.068 0.000 1.111 61 K HN -0.329 8.115 8.250 0.323 0.000 0.452 62 E N -1.579 118.681 120.200 0.099 0.000 3.428 62 E HA -0.385 3.996 4.350 0.051 0.000 0.253 62 E C 1.564 178.181 176.600 0.028 0.000 0.732 62 E CA 2.713 59.145 56.400 0.052 0.000 0.830 62 E CB -0.243 29.471 29.700 0.024 0.000 1.437 62 E HN 0.853 9.264 8.360 0.085 0.000 0.448 63 D N -2.699 117.693 120.400 -0.014 0.000 2.349 63 D HA 0.124 4.721 4.640 -0.071 0.000 0.214 63 D C -1.534 174.648 176.300 -0.196 0.000 1.063 63 D CA -0.036 53.883 54.000 -0.135 0.000 0.847 63 D CB 0.695 41.350 40.800 -0.241 0.000 0.933 63 D HN 0.284 8.553 8.370 0.020 0.113 0.513 64 Y N -1.977 118.371 120.300 0.081 0.000 2.457 64 Y HA 0.488 5.297 4.550 0.145 -0.171 0.333 64 Y C -0.794 175.165 175.900 0.098 0.000 1.119 64 Y CA -0.415 57.757 58.100 0.120 0.000 1.143 64 Y CB 2.913 41.465 38.460 0.154 0.000 1.230 64 Y HN -0.524 7.718 8.280 0.209 0.163 0.469 65 I N -0.673 120.081 120.570 0.307 0.000 2.608 65 I HA 0.412 4.774 4.170 0.094 -0.135 0.295 65 I C -1.548 174.715 176.117 0.243 0.000 1.049 65 I CA -2.597 58.801 61.300 0.164 0.000 1.063 65 I CB 3.466 41.511 38.000 0.076 0.000 1.248 65 I HN 0.529 8.879 8.210 0.408 0.104 0.424 66 V N 5.745 125.730 119.914 0.118 0.000 2.540 66 V HA 0.559 5.063 4.120 0.334 -0.183 0.302 66 V C -1.611 174.565 176.094 0.137 0.000 1.035 66 V CA -1.544 60.881 62.300 0.208 0.000 0.873 66 V CB 2.738 34.646 31.823 0.142 0.000 0.992 66 V HN 0.343 8.553 8.190 0.033 0.000 0.428 67 Y N 4.742 125.261 120.300 0.364 0.000 2.409 67 Y HA 0.819 5.793 4.550 0.307 -0.240 0.343 67 Y C -0.944 175.134 175.900 0.296 0.000 0.973 67 Y CA -1.900 56.395 58.100 0.325 0.000 1.064 67 Y CB 3.819 42.463 38.460 0.307 0.000 1.207 67 Y HN 0.792 9.401 8.280 0.547 0.000 0.452 68 L N -0.447 121.037 121.223 0.436 0.000 2.319 68 L HA 0.566 5.064 4.340 0.263 0.000 0.267 68 L C 0.962 178.005 176.870 0.287 0.000 1.011 68 L CA -1.641 53.386 54.840 0.311 0.000 0.818 68 L CB 3.498 45.725 42.059 0.281 0.000 1.316 68 L HN 0.430 8.937 8.230 0.462 0.000 0.432 69 G N -1.322 107.607 108.800 0.214 0.000 2.246 69 G HA2 -0.465 3.706 3.960 0.114 0.000 0.273 69 G HA3 -0.465 3.582 3.960 0.145 0.000 0.273 69 G C -1.507 173.499 174.900 0.176 0.000 1.055 69 G CA 0.414 45.609 45.100 0.159 0.000 0.851 69 G HN 0.542 8.947 8.290 0.192 0.000 0.500 70 R N -1.814 118.831 120.500 0.242 0.000 2.310 70 R HA 0.071 4.517 4.340 0.176 0.000 0.324 70 R C -1.555 174.909 176.300 0.273 0.000 0.955 70 R CA -0.781 55.474 56.100 0.258 0.000 0.830 70 R CB 1.156 31.673 30.300 0.362 0.000 1.154 70 R HN -0.235 8.207 8.270 0.286 0.000 0.458 71 S N 3.582 119.395 115.700 0.189 0.000 2.492 71 S HA 0.008 4.532 4.470 0.089 0.000 0.218 71 S C -0.486 174.280 174.600 0.278 0.000 1.016 71 S CA 1.309 59.598 58.200 0.148 0.000 0.916 71 S CB 1.365 64.601 63.200 0.060 0.000 0.791 71 S HN 0.418 8.811 8.310 0.139 0.000 0.513 72 R N -1.014 119.635 120.500 0.248 0.000 2.832 72 R HA 0.595 5.286 4.340 0.271 -0.189 0.271 72 R C -0.346 175.915 176.300 -0.066 0.000 0.996 72 R CA -1.278 54.912 56.100 0.150 0.000 0.977 72 R CB 2.980 33.288 30.300 0.014 0.000 1.168 72 R HN -1.030 7.347 8.270 0.179 0.000 0.482 73 L N 0.504 121.477 121.223 -0.417 0.000 2.049 73 L HA -0.086 3.597 4.340 -1.096 0.000 0.203 73 L C 0.644 177.373 176.870 -0.235 0.000 1.074 73 L CA 2.025 56.436 54.840 -0.715 0.000 0.749 73 L CB 1.244 42.801 42.059 -0.835 0.000 0.907 73 L HN 0.399 8.370 8.230 -0.255 0.106 0.439 74 N N -2.877 115.722 118.700 -0.169 0.000 2.291 74 N HA 0.078 4.735 4.740 -0.138 0.000 0.244 74 N C -0.983 174.450 175.510 -0.128 0.000 1.216 74 N CA 0.329 53.307 53.050 -0.120 0.000 0.879 74 N CB 1.192 39.638 38.487 -0.068 0.000 1.167 74 N HN -0.017 8.579 8.380 -0.176 -0.322 0.515 75 S N 0.351 115.973 115.700 -0.130 0.000 2.570 75 S HA 0.304 4.712 4.470 -0.104 0.000 0.286 75 S C -1.445 173.085 174.600 -0.117 0.000 1.099 75 S CA -1.288 56.849 58.200 -0.104 0.000 0.913 75 S CB 2.429 65.586 63.200 -0.072 0.000 1.085 75 S HN -0.408 7.822 8.310 -0.134 0.000 0.480 76 N N 1.604 120.242 118.700 -0.103 0.000 2.483 76 N HA 0.053 4.853 4.740 -0.143 -0.146 0.269 76 N C -0.637 174.847 175.510 -0.043 0.000 1.209 76 N CA 0.163 53.157 53.050 -0.094 0.000 0.969 76 N CB 1.131 39.575 38.487 -0.071 0.000 1.173 76 N HN 0.131 8.459 8.380 -0.087 0.000 0.475 77 T N 1.696 116.239 114.554 -0.019 0.000 2.841 77 T HA 0.202 4.555 4.350 0.005 0.000 0.283 77 T C -1.209 173.503 174.700 0.019 0.000 1.000 77 T CA -0.572 61.535 62.100 0.012 0.000 0.977 77 T CB 1.904 70.797 68.868 0.043 0.000 0.979 77 T HN 0.241 8.833 8.240 -0.025 -0.367 0.446 78 Q N 5.488 125.297 119.800 0.015 0.000 2.332 78 Q HA -0.124 4.227 4.340 0.017 0.000 0.263 78 Q C 0.823 176.842 176.000 0.032 0.000 0.979 78 Q CA 1.199 57.013 55.803 0.018 0.000 0.885 78 Q CB 0.300 29.044 28.738 0.010 0.000 1.218 78 Q HN 0.306 8.582 8.270 0.010 0.000 0.405 79 G N 4.190 113.014 108.800 0.039 0.000 2.195 79 G HA2 -0.265 3.721 3.960 0.044 0.000 0.224 79 G HA3 -0.265 3.724 3.960 0.048 0.000 0.224 79 G C -0.490 174.458 174.900 0.080 0.000 0.990 79 G CA -0.518 44.613 45.100 0.051 0.000 0.639 79 G HN 0.316 8.626 8.290 0.034 0.000 0.514 80 E N 0.753 121.010 120.200 0.095 0.000 2.398 80 E HA 0.003 4.616 4.350 0.178 -0.156 0.263 80 E C -0.759 175.935 176.600 0.158 0.000 1.046 80 E CA -0.345 56.151 56.400 0.160 0.000 0.908 80 E CB 0.684 30.492 29.700 0.180 0.000 0.963 80 E HN -0.582 7.757 8.360 0.074 0.064 0.431 81 M N 1.742 121.460 119.600 0.197 0.000 2.393 81 M HA 0.301 4.738 4.480 -0.071 0.000 0.316 81 M C -1.570 174.677 176.300 -0.088 0.000 1.087 81 M CA -0.666 54.645 55.300 0.019 0.000 0.937 81 M CB 4.443 37.111 32.600 0.112 0.000 1.668 81 M HN 0.279 8.629 8.290 0.275 0.105 0.438 82 K N 3.170 123.290 120.400 -0.467 0.000 2.221 82 K HA 0.749 4.787 4.320 -0.760 -0.173 0.258 82 K C -1.276 174.802 176.600 -0.870 0.000 0.944 82 K CA -0.993 54.888 56.287 -0.676 0.000 0.823 82 K CB 2.630 34.785 32.500 -0.575 0.000 1.113 82 K HN 0.210 8.171 8.250 -0.481 0.000 0.431 83 F N 2.663 122.455 119.950 -0.262 0.000 2.629 83 F HA 0.397 4.943 4.527 -0.130 -0.097 0.316 83 F C -1.100 174.620 175.800 -0.134 0.000 1.081 83 F CA -1.155 56.753 58.000 -0.154 0.000 0.954 83 F CB 4.640 43.569 39.000 -0.117 0.000 1.337 83 F HN 0.683 8.855 8.300 -0.213 0.000 0.474 84 E N -1.539 118.727 120.200 0.109 0.000 2.249 84 E HA 0.448 4.825 4.350 0.045 0.000 0.263 84 E C -1.018 175.605 176.600 0.038 0.000 0.950 84 E CA -1.847 54.580 56.400 0.046 0.000 0.827 84 E CB 3.822 33.529 29.700 0.011 0.000 1.220 84 E HN 0.752 9.097 8.360 0.156 0.109 0.411 85 V N 1.859 121.784 119.914 0.020 0.000 2.320 85 V HA 0.030 4.231 4.120 -0.091 -0.136 0.265 85 V C -0.600 175.455 176.094 -0.065 0.000 1.048 85 V CA 0.076 62.349 62.300 -0.045 0.000 0.865 85 V CB -0.791 31.016 31.823 -0.027 0.000 1.043 85 V HN 0.691 8.910 8.190 0.048 0.000 0.474 86 E N 7.466 127.596 120.200 -0.117 0.000 2.107 86 E HA -0.316 3.992 4.350 -0.070 0.000 0.191 86 E C -1.178 175.353 176.600 -0.115 0.000 0.982 86 E CA 2.435 58.767 56.400 -0.114 0.000 0.809 86 E CB 1.124 30.730 29.700 -0.158 0.000 0.756 86 E HN 0.618 8.795 8.360 -0.154 0.091 0.459 87 N N -3.881 114.720 118.700 -0.165 0.000 2.264 87 N HA 0.205 4.908 4.740 -0.062 0.000 0.288 87 N C -2.302 173.137 175.510 -0.117 0.000 1.094 87 N CA -0.470 52.517 53.050 -0.105 0.000 0.817 87 N CB 3.446 41.895 38.487 -0.063 0.000 1.604 87 N HN -0.567 7.664 8.380 -0.226 0.014 0.473 88 L N 3.994 125.161 121.223 -0.094 0.000 2.372 88 L HA 0.554 4.892 4.340 -0.249 -0.148 0.273 88 L C -1.139 175.673 176.870 -0.096 0.000 0.989 88 L CA -0.428 54.304 54.840 -0.181 0.000 0.841 88 L CB 2.018 43.943 42.059 -0.223 0.000 1.225 88 L HN 0.369 8.567 8.230 -0.053 0.000 0.414 89 I N 8.163 128.686 120.570 -0.078 0.000 2.355 89 I HA 0.275 4.445 4.170 -0.001 0.000 0.288 89 I C -1.438 174.699 176.117 0.033 0.000 0.999 89 I CA -0.855 60.431 61.300 -0.024 0.000 1.163 89 I CB 1.341 39.279 38.000 -0.103 0.000 1.316 89 I HN 1.000 9.149 8.210 -0.103 0.000 0.454 90 L N 5.425 126.688 121.223 0.067 0.000 2.358 90 L HA 0.337 4.715 4.340 0.063 0.000 0.268 90 L C -1.167 175.823 176.870 0.201 0.000 1.032 90 L CA -1.734 53.158 54.840 0.086 0.000 0.805 90 L CB 2.199 44.276 42.059 0.030 0.000 1.253 90 L HN 0.422 8.686 8.230 0.057 0.000 0.452 91 H N 1.595 120.667 119.070 0.003 0.000 2.580 91 H HA 0.046 4.627 4.556 0.042 0.000 0.322 91 H C -0.621 174.746 175.328 0.064 0.000 1.082 91 H CA 0.031 56.030 56.048 -0.081 0.000 1.383 91 H CB 1.654 31.176 29.762 -0.399 0.000 1.450 91 H HN -0.173 8.154 8.280 0.078 0.000 0.505 92 K N 7.215 127.559 120.400 -0.093 0.000 2.276 92 K HA 0.019 4.401 4.320 0.104 0.000 0.283 92 K C -1.496 175.151 176.600 0.079 0.000 1.044 92 K CA 0.298 56.605 56.287 0.033 0.000 0.944 92 K CB -0.471 32.047 32.500 0.029 0.000 1.012 92 K HN 0.362 8.406 8.250 -0.343 0.000 0.472 93 D N -4.450 116.043 120.400 0.155 0.000 3.005 93 D HA -0.330 4.372 4.640 0.103 0.000 0.203 93 D C -1.933 174.487 176.300 0.201 0.000 1.003 93 D CA 0.850 54.950 54.000 0.166 0.000 0.990 93 D CB -2.490 38.431 40.800 0.202 0.000 1.056 93 D HN 0.347 8.803 8.370 0.144 0.000 0.445 94 Y N 0.766 121.146 120.300 0.133 0.000 2.442 94 Y HA -0.153 4.678 4.550 0.113 -0.214 0.330 94 Y C -0.685 175.282 175.900 0.112 0.000 1.129 94 Y CA 0.981 59.151 58.100 0.116 0.000 1.365 94 Y CB 0.565 39.083 38.460 0.097 0.000 1.233 94 Y HN -0.766 7.660 8.280 0.322 0.047 0.529 95 S N 7.293 122.531 115.700 -0.771 0.000 2.564 95 S HA 0.291 4.430 4.470 -0.552 0.000 0.274 95 S C -1.894 172.345 174.600 -0.602 0.000 1.124 95 S CA -0.903 56.950 58.200 -0.577 0.000 0.869 95 S CB 4.031 67.102 63.200 -0.214 0.000 1.105 95 S HN 0.168 8.126 8.310 -0.587 0.000 0.472 96 A N 1.561 124.146 122.820 -0.391 0.000 2.479 96 A HA 0.808 5.067 4.320 -0.423 -0.194 0.296 96 A C 0.847 178.279 177.584 -0.253 0.000 1.121 96 A CA -1.678 50.161 52.037 -0.330 0.000 0.743 96 A CB 1.719 20.613 19.000 -0.177 0.000 1.323 96 A HN 0.313 8.283 8.150 -0.299 0.000 0.415 97 L N 0.223 121.162 121.223 -0.474 0.000 2.403 97 L HA -0.472 3.580 4.340 -0.480 0.000 0.237 97 L C -0.055 175.963 176.870 -1.419 0.000 1.138 97 L CA 2.286 56.707 54.840 -0.698 0.000 0.841 97 L CB 0.022 41.712 42.059 -0.615 0.000 0.979 97 L HN 0.613 8.535 8.230 -0.515 0.000 0.435 98 A N -4.974 116.864 122.820 -1.637 0.000 2.286 98 A HA 0.079 2.007 4.320 -3.986 0.000 0.286 98 A C -1.489 175.302 177.584 -1.321 0.000 1.097 98 A CA -0.864 49.858 52.037 -2.192 0.000 0.821 98 A CB 1.677 19.808 19.000 -1.447 0.000 1.076 98 A HN -0.348 7.138 8.150 -1.106 0.000 0.490 99 H N -0.645 117.891 119.070 -0.890 0.000 2.495 99 H HA 0.747 5.270 4.556 -0.368 -0.187 0.348 99 H C -0.535 174.600 175.328 -0.322 0.000 1.113 99 H CA -1.254 54.589 56.048 -0.341 0.000 1.195 99 H CB 2.607 32.412 29.762 0.071 0.000 1.521 99 H HN 0.224 7.882 8.280 -1.036 0.000 0.509 100 H N 2.339 121.397 119.070 -0.021 0.000 2.524 100 H HA 0.280 4.908 4.556 0.120 0.000 0.353 100 H C -0.135 175.248 175.328 0.092 0.000 1.136 100 H CA -0.880 55.192 56.048 0.041 0.000 1.193 100 H CB 3.489 33.228 29.762 -0.039 0.000 1.558 100 H HN 0.825 8.934 8.280 -0.102 0.109 0.515 101 N N -0.263 118.551 118.700 0.191 0.000 2.727 101 N HA -0.362 4.257 4.740 -0.201 0.000 0.251 101 N C -1.543 173.863 175.510 -0.173 0.000 1.040 101 N CA 1.032 54.019 53.050 -0.105 0.000 0.712 101 N CB -0.721 37.717 38.487 -0.080 0.000 0.912 101 N HN 0.649 9.186 8.380 0.263 0.000 0.545 102 D N -1.210 119.130 120.400 -0.099 0.000 2.631 102 D HA 0.064 4.721 4.640 0.028 0.000 0.227 102 D C -1.954 174.177 176.300 -0.282 0.000 1.146 102 D CA -0.351 53.618 54.000 -0.052 0.000 1.009 102 D CB -0.755 40.140 40.800 0.157 0.000 1.057 102 D HN 0.081 8.413 8.370 -0.063 0.000 0.509 103 I N 0.557 120.873 120.570 -0.423 0.000 2.722 103 I HA 0.632 4.837 4.170 -0.236 -0.177 0.295 103 I C -2.831 173.186 176.117 -0.166 0.000 1.161 103 I CA -2.120 58.959 61.300 -0.367 0.000 1.032 103 I CB 3.964 41.542 38.000 -0.704 0.000 1.244 103 I HN -0.594 7.305 8.210 -0.449 0.041 0.421 104 A N 6.699 129.524 122.820 0.009 0.000 2.515 104 A HA 0.905 5.480 4.320 0.227 -0.119 0.296 104 A C -2.404 175.235 177.584 0.091 0.000 1.094 104 A CA -1.832 50.259 52.037 0.090 0.000 0.718 104 A CB 4.154 23.137 19.000 -0.029 0.000 1.307 104 A HN 0.552 8.602 8.150 -0.006 0.096 0.408 105 L N -0.602 120.653 121.223 0.053 0.000 2.365 105 L HA 0.850 5.415 4.340 0.089 -0.172 0.273 105 L C -1.567 175.326 176.870 0.038 0.000 1.000 105 L CA -1.417 53.467 54.840 0.073 0.000 0.819 105 L CB 4.025 46.089 42.059 0.008 0.000 1.284 105 L HN 0.523 8.778 8.230 0.043 0.000 0.418 106 L N 2.025 123.276 121.223 0.047 0.000 2.372 106 L HA 0.678 5.117 4.340 -0.180 -0.207 0.274 106 L C -1.507 175.228 176.870 -0.226 0.000 0.988 106 L CA -0.872 53.885 54.840 -0.137 0.000 0.833 106 L CB 2.408 44.331 42.059 -0.227 0.000 1.236 106 L HN 0.845 9.151 8.230 0.128 0.000 0.410 107 K N 5.353 125.465 120.400 -0.480 0.000 2.258 107 K HA 0.765 4.588 4.320 -1.195 -0.220 0.284 107 K C -0.793 175.504 176.600 -0.504 0.000 1.051 107 K CA -1.182 54.534 56.287 -0.951 0.000 0.923 107 K CB 2.043 33.797 32.500 -1.243 0.000 1.046 107 K HN 0.684 8.608 8.250 -0.352 0.115 0.474 108 I N 1.097 121.385 120.570 -0.470 0.000 2.498 108 I HA 1.021 5.296 4.170 -0.172 -0.209 0.301 108 I C -1.208 174.816 176.117 -0.155 0.000 0.984 108 I CA -2.454 58.675 61.300 -0.285 0.000 1.204 108 I CB 2.479 40.191 38.000 -0.480 0.000 1.362 108 I HN 0.483 8.344 8.210 -0.582 0.000 0.471 109 R N 3.341 123.878 120.500 0.061 0.000 2.725 109 R HA 0.458 4.858 4.340 0.101 0.000 0.277 109 R C -0.432 176.002 176.300 0.223 0.000 0.987 109 R CA -1.944 54.223 56.100 0.111 0.000 0.901 109 R CB 4.191 34.489 30.300 -0.002 0.000 1.207 109 R HN 0.282 8.614 8.270 0.104 0.000 0.463 110 R N 1.512 122.040 120.500 0.045 0.000 2.212 110 R HA -0.339 4.025 4.340 0.040 0.000 0.323 110 R C -1.366 175.026 176.300 0.154 0.000 0.986 110 R CA 1.655 57.798 56.100 0.072 0.000 1.031 110 R CB -0.623 29.716 30.300 0.065 0.000 0.772 110 R HN 0.384 8.686 8.270 0.053 0.000 0.427 111 c N -0.950 117.713 118.600 0.105 0.000 2.548 111 c HA 0.138 4.716 4.570 0.013 0.000 0.412 111 c C 0.450 174.623 174.090 0.138 0.000 1.588 111 c CA -1.526 54.829 56.329 0.043 0.000 1.861 111 c CB 1.386 43.855 42.510 -0.069 0.000 1.983 111 c HN 0.141 8.410 8.230 0.065 0.000 0.497 112 A N 0.246 123.032 122.820 -0.056 0.000 2.425 112 A HA -0.096 4.445 4.320 0.368 0.000 0.242 112 A C -0.895 176.753 177.584 0.105 0.000 1.077 112 A CA 0.643 52.731 52.037 0.085 0.000 0.781 112 A CB 0.805 19.766 19.000 -0.065 0.000 1.020 112 A HN 0.363 8.276 8.150 -0.237 0.095 0.494 113 Q N 0.387 120.270 119.800 0.139 0.000 2.342 113 Q HA 0.369 4.756 4.340 0.077 0.000 0.267 113 Q C -2.463 173.590 176.000 0.088 0.000 1.038 113 Q CA -3.281 52.579 55.803 0.096 0.000 0.832 113 Q CB 0.840 29.632 28.738 0.091 0.000 1.323 113 Q HN -0.138 8.248 8.270 0.194 0.000 0.448 114 P HA -0.032 4.577 4.420 0.076 -0.144 0.267 114 P C -1.070 176.267 177.300 0.061 0.000 1.209 114 P CA 0.040 63.180 63.100 0.068 0.000 0.763 114 P CB 0.623 32.358 31.700 0.059 0.000 0.816 115 S N 5.320 121.056 115.700 0.061 0.000 2.998 115 S HA 0.440 4.936 4.470 0.044 0.000 0.321 115 S C -0.562 174.061 174.600 0.039 0.000 1.171 115 S CA -1.077 57.153 58.200 0.049 0.000 0.882 115 S CB 2.314 65.547 63.200 0.055 0.000 1.301 115 S HN -0.001 8.348 8.310 0.066 0.000 0.629 116 R N -2.489 118.028 120.500 0.028 0.000 2.300 116 R HA 0.154 4.504 4.340 0.016 0.000 0.199 116 R C 0.128 176.427 176.300 -0.002 0.000 0.920 116 R CA 1.355 57.463 56.100 0.014 0.000 1.046 116 R CB 0.334 30.639 30.300 0.009 0.000 0.984 116 R HN 0.299 8.587 8.270 0.030 0.000 0.493 117 T N -3.611 110.950 114.554 0.011 0.000 3.040 117 T HA 0.216 4.543 4.350 -0.038 0.000 0.266 117 T C -0.823 173.886 174.700 0.015 0.000 1.005 117 T CA 0.035 62.134 62.100 -0.001 0.000 0.906 117 T CB 1.458 70.340 68.868 0.024 0.000 1.082 117 T HN -0.482 7.725 8.240 0.028 0.051 0.531 118 I N 2.440 123.034 120.570 0.041 0.000 2.468 118 I HA 0.486 4.911 4.170 0.068 -0.214 0.284 118 I C -2.661 173.508 176.117 0.086 0.000 1.038 118 I CA -0.875 60.469 61.300 0.072 0.000 1.083 118 I CB 1.972 40.035 38.000 0.105 0.000 1.223 118 I HN -0.320 7.807 8.210 0.043 0.109 0.443 119 Q N 7.656 127.530 119.800 0.123 0.000 2.501 119 Q HA 0.431 4.863 4.340 0.154 0.000 0.288 119 Q C -2.365 173.821 176.000 0.310 0.000 1.051 119 Q CA -1.943 53.981 55.803 0.201 0.000 0.788 119 Q CB 4.778 33.657 28.738 0.235 0.000 1.469 119 Q HN 0.556 8.776 8.270 0.117 0.121 0.416 120 T N -1.044 113.669 114.554 0.265 0.000 2.927 120 T HA 0.364 4.978 4.350 0.235 -0.123 0.281 120 T C -0.815 174.000 174.700 0.192 0.000 0.998 120 T CA -2.047 60.181 62.100 0.213 0.000 1.019 120 T CB 1.389 70.319 68.868 0.103 0.000 1.061 120 T HN 0.042 8.408 8.240 0.209 0.000 0.518 121 I N -0.200 120.363 120.570 -0.012 0.000 2.863 121 I HA 0.288 4.104 4.170 -0.590 0.000 0.311 121 I C -1.542 174.434 176.117 -0.236 0.000 1.026 121 I CA -2.142 58.904 61.300 -0.424 0.000 1.077 121 I CB 3.659 41.171 38.000 -0.814 0.000 1.262 121 I HN -0.070 8.155 8.210 0.025 0.000 0.461 122 C N 4.621 123.761 119.300 -0.266 0.000 2.362 122 C HA 0.251 4.650 4.460 -0.101 0.000 0.363 122 C C -1.088 173.825 174.990 -0.128 0.000 1.220 122 C CA -0.139 58.790 59.018 -0.148 0.000 2.379 122 C CB 1.280 28.944 27.740 -0.127 0.000 2.351 122 C HN -0.160 7.844 8.230 -0.376 0.000 0.582 123 L N 1.293 122.467 121.223 -0.081 0.000 2.325 123 L HA 0.408 4.711 4.340 -0.061 0.000 0.278 123 L C -1.429 175.411 176.870 -0.049 0.000 1.023 123 L CA -3.303 51.503 54.840 -0.058 0.000 0.811 123 L CB -0.259 41.776 42.059 -0.040 0.000 1.249 123 L HN 0.211 8.400 8.230 -0.068 0.000 0.431 124 P HA 0.084 4.484 4.420 -0.032 0.000 0.274 124 P C -1.466 175.815 177.300 -0.032 0.000 1.260 124 P CA -0.941 62.142 63.100 -0.029 0.000 0.793 124 P CB 1.065 32.758 31.700 -0.012 0.000 1.048 125 S N -1.018 114.667 115.700 -0.025 0.000 2.713 125 S HA 0.092 4.542 4.470 -0.034 0.000 0.283 125 S C 0.245 174.816 174.600 -0.049 0.000 1.161 125 S CA -0.558 57.625 58.200 -0.028 0.000 0.999 125 S CB 1.694 64.889 63.200 -0.009 0.000 1.039 125 S HN 0.128 8.429 8.310 -0.015 0.000 0.548 126 M N 0.838 120.402 119.600 -0.060 0.000 2.301 126 M HA -0.415 3.870 4.480 -0.326 0.000 0.404 126 M C 0.326 176.597 176.300 -0.048 0.000 1.497 126 M CA 1.217 56.442 55.300 -0.124 0.000 0.867 126 M CB -1.533 31.098 32.600 0.052 0.000 2.037 126 M HN 0.298 8.567 8.290 -0.036 0.000 0.496 127 Y N -1.520 118.711 120.300 -0.115 0.000 3.027 127 Y HA -0.505 4.009 4.550 -0.163 -0.062 0.216 127 Y C -1.013 174.892 175.900 0.008 0.000 1.149 127 Y CA 1.142 59.156 58.100 -0.143 0.000 1.127 127 Y CB -3.211 35.084 38.460 -0.274 0.000 1.244 127 Y HN 0.426 8.084 8.280 -1.037 0.000 0.565 128 N N -0.118 118.640 118.700 0.096 0.000 2.417 128 N HA 0.132 4.936 4.740 0.105 0.000 0.274 128 N C -2.125 173.437 175.510 0.087 0.000 0.987 128 N CA -1.048 52.055 53.050 0.088 0.000 0.912 128 N CB 2.377 40.891 38.487 0.045 0.000 1.177 128 N HN -0.707 7.671 8.380 0.028 0.018 0.490 129 D N 4.893 125.351 120.400 0.096 0.000 2.547 129 D HA 0.458 5.132 4.640 0.056 0.000 0.231 129 D C -2.464 173.863 176.300 0.046 0.000 1.099 129 D CA -2.047 51.999 54.000 0.077 0.000 0.901 129 D CB 2.517 43.386 40.800 0.115 0.000 1.478 129 D HN -0.037 8.395 8.370 0.103 0.000 0.471 130 P HA 0.008 4.423 4.420 -0.010 0.000 0.272 130 P C -1.020 176.286 177.300 0.011 0.000 1.240 130 P CA -0.011 63.086 63.100 -0.006 0.000 0.791 130 P CB 1.032 32.712 31.700 -0.033 0.000 0.978 131 Q N -1.803 117.981 119.800 -0.027 0.000 2.317 131 Q HA 0.161 4.548 4.340 0.078 0.000 0.229 131 Q C 1.110 177.071 176.000 -0.066 0.000 0.984 131 Q CA -1.142 54.644 55.803 -0.029 0.000 0.911 131 Q CB 1.342 29.993 28.738 -0.146 0.000 1.217 131 Q HN 0.277 8.514 8.270 -0.055 0.000 0.501 132 F N -2.009 117.929 119.950 -0.019 0.000 2.553 132 F HA -0.450 4.044 4.527 -0.055 0.000 0.356 132 F C 0.314 176.089 175.800 -0.042 0.000 1.142 132 F CA 0.542 58.517 58.000 -0.041 0.000 1.322 132 F CB -0.031 38.943 39.000 -0.043 0.000 1.126 132 F HN -0.057 8.476 8.300 0.389 0.000 0.599 133 G N 3.406 112.130 108.800 -0.126 0.000 2.339 133 G HA2 -0.343 3.560 3.960 -0.095 0.000 0.209 133 G HA3 -0.343 3.408 3.960 -0.349 0.000 0.209 133 G C -0.804 174.009 174.900 -0.145 0.000 1.015 133 G CA -0.032 44.951 45.100 -0.194 0.000 0.635 133 G HN 0.763 8.947 8.290 0.014 0.114 0.499 134 T N 5.134 119.604 114.554 -0.139 0.000 2.946 134 T HA -0.258 4.028 4.350 -0.107 0.000 0.312 134 T C -0.842 173.804 174.700 -0.090 0.000 1.066 134 T CA 2.247 64.284 62.100 -0.105 0.000 1.138 134 T CB 0.433 69.248 68.868 -0.089 0.000 1.014 134 T HN -0.507 7.561 8.240 -0.155 0.078 0.544 135 S N 4.765 120.416 115.700 -0.081 0.000 2.457 135 S HA 0.614 5.205 4.470 -0.085 -0.172 0.289 135 S C -0.309 174.247 174.600 -0.074 0.000 1.163 135 S CA -0.316 57.838 58.200 -0.078 0.000 1.078 135 S CB 0.758 63.918 63.200 -0.067 0.000 0.987 135 S HN 0.097 8.361 8.310 -0.077 0.000 0.482 136 c N 4.686 123.234 118.600 -0.086 0.000 2.771 136 c HA 0.529 5.124 4.570 -0.066 -0.065 0.333 136 c C -1.462 172.585 174.090 -0.072 0.000 1.267 136 c CA -1.627 54.650 56.329 -0.086 0.000 1.721 136 c CB 4.143 46.576 42.510 -0.129 0.000 2.222 136 c HN 1.040 9.212 8.230 -0.096 0.000 0.485 137 E N -1.072 119.100 120.200 -0.046 0.000 2.256 137 E HA 1.018 5.490 4.350 -0.039 -0.145 0.267 137 E C -1.092 175.503 176.600 -0.008 0.000 0.892 137 E CA -2.291 54.094 56.400 -0.024 0.000 0.775 137 E CB 2.890 32.593 29.700 0.005 0.000 1.207 137 E HN 0.670 9.007 8.360 -0.038 0.000 0.420 138 I N -5.058 115.510 120.570 -0.003 0.000 2.740 138 I HA 1.092 5.520 4.170 0.067 -0.218 0.303 138 I C -1.097 175.017 176.117 -0.005 0.000 1.044 138 I CA -2.582 58.739 61.300 0.037 0.000 1.064 138 I CB 3.397 41.446 38.000 0.081 0.000 1.249 138 I HN 0.159 8.357 8.210 -0.019 0.000 0.433 139 T N 0.994 115.542 114.554 -0.010 0.000 2.883 139 T HA 0.692 5.053 4.350 -0.210 -0.137 0.301 139 T C -1.372 173.165 174.700 -0.272 0.000 1.158 139 T CA -2.052 59.931 62.100 -0.195 0.000 1.007 139 T CB 2.402 71.123 68.868 -0.245 0.000 1.186 139 T HN -0.253 8.031 8.240 0.072 0.000 0.499 140 G N 2.416 110.900 108.800 -0.526 0.000 2.336 140 G HA2 0.160 3.668 3.960 -0.753 0.000 0.300 140 G HA3 0.160 4.181 3.960 -0.117 -0.131 0.300 140 G C -2.087 172.544 174.900 -0.448 0.000 1.375 140 G CA 0.513 45.338 45.100 -0.458 0.000 0.885 140 G HN 0.101 8.045 8.290 -0.578 0.000 0.599 141 F N 0.193 120.030 119.950 -0.188 0.000 2.641 141 F HA 0.305 4.711 4.527 -0.201 0.000 0.302 141 F C 0.802 176.403 175.800 -0.332 0.000 1.098 141 F CA -1.240 56.590 58.000 -0.283 0.000 1.318 141 F CB 0.402 39.076 39.000 -0.543 0.000 1.035 141 F HN 0.508 8.834 8.300 0.042 0.000 0.551 142 G N 0.148 108.891 108.800 -0.095 0.000 2.716 142 G HA2 -0.066 3.603 3.960 -0.472 0.000 0.251 142 G HA3 -0.066 4.116 3.960 -0.046 -0.249 0.251 142 G C -0.918 174.002 174.900 0.033 0.000 1.224 142 G CA -0.445 44.569 45.100 -0.143 0.000 0.891 142 G HN -0.374 8.047 8.290 -0.049 -0.160 0.561 143 K N -0.612 119.897 120.400 0.181 0.000 2.518 143 K HA -0.330 4.162 4.320 0.285 0.000 0.276 143 K C -0.284 176.383 176.600 0.112 0.000 0.974 143 K CA 1.767 58.185 56.287 0.218 0.000 0.986 143 K CB 0.311 32.942 32.500 0.217 0.000 0.901 143 K HN 0.125 8.399 8.250 0.211 0.103 0.497 144 E N -1.112 119.146 120.200 0.097 0.000 2.452 144 E HA 0.115 4.749 4.350 0.019 -0.272 0.197 144 E C -0.597 176.030 176.600 0.045 0.000 1.022 144 E CA 0.770 57.199 56.400 0.047 0.000 0.890 144 E CB 1.410 31.137 29.700 0.046 0.000 0.918 144 E HN -0.156 8.424 8.360 0.116 -0.150 0.496 145 A N -2.285 120.573 122.820 0.064 0.000 2.459 145 A HA 0.441 4.792 4.320 0.052 0.000 0.296 145 A C -0.991 176.638 177.584 0.075 0.000 1.039 145 A CA -0.748 51.325 52.037 0.060 0.000 0.698 145 A CB 2.172 21.204 19.000 0.054 0.000 1.261 145 A HN -0.728 7.525 8.150 0.082 -0.054 0.405 146 S N 2.533 118.276 115.700 0.072 0.000 2.465 146 S HA -0.241 4.286 4.470 0.096 0.000 0.241 146 S C 1.159 175.810 174.600 0.084 0.000 1.000 146 S CA 2.320 60.569 58.200 0.081 0.000 0.964 146 S CB -0.415 62.827 63.200 0.071 0.000 0.763 146 S HN 0.691 9.038 8.310 0.063 0.000 0.512 147 T N -3.865 110.737 114.554 0.079 0.000 3.100 147 T HA 0.004 4.406 4.350 0.087 0.000 0.253 147 T C 0.468 175.241 174.700 0.123 0.000 1.118 147 T CA -0.301 61.853 62.100 0.089 0.000 1.058 147 T CB -0.144 68.769 68.868 0.074 0.000 0.953 147 T HN -0.453 7.794 8.240 0.071 0.036 0.515 148 D N 3.191 123.653 120.400 0.104 0.000 2.361 148 D HA -0.060 4.638 4.640 0.098 0.000 0.239 148 D C -0.333 176.037 176.300 0.117 0.000 1.200 148 D CA 0.208 54.255 54.000 0.079 0.000 0.915 148 D CB 1.059 41.866 40.800 0.011 0.000 1.170 148 D HN -0.251 8.008 8.370 0.090 0.164 0.444 149 Y N -4.940 115.356 120.300 -0.006 0.000 2.626 149 Y HA 0.219 4.737 4.550 -0.053 0.000 0.248 149 Y C -1.768 174.057 175.900 -0.125 0.000 1.147 149 Y CA -0.786 57.283 58.100 -0.053 0.000 1.219 149 Y CB 0.367 38.804 38.460 -0.037 0.000 1.279 149 Y HN 0.046 8.097 8.280 -0.382 0.000 0.541 150 L N -1.074 119.894 121.223 -0.425 0.000 2.283 150 L HA 0.223 4.332 4.340 -0.386 0.000 0.259 150 L C -0.963 175.808 176.870 -0.165 0.000 1.027 150 L CA -1.394 53.223 54.840 -0.372 0.000 0.828 150 L CB 3.262 45.112 42.059 -0.349 0.000 1.380 150 L HN -0.839 7.163 8.230 -0.381 0.000 0.425 151 Y N -1.018 119.257 120.300 -0.041 0.000 2.487 151 Y HA 0.391 4.958 4.550 0.028 0.000 0.337 151 Y C -1.692 174.204 175.900 -0.007 0.000 1.076 151 Y CA -3.696 54.406 58.100 0.002 0.000 1.115 151 Y CB 0.235 38.697 38.460 0.004 0.000 1.235 151 Y HN 0.023 8.259 8.280 -0.074 0.000 0.468 152 P HA -0.002 4.500 4.420 0.137 0.000 0.270 152 P C -1.377 176.001 177.300 0.130 0.000 1.223 152 P CA -0.542 62.672 63.100 0.190 0.000 0.785 152 P CB 1.255 33.135 31.700 0.300 0.000 0.923 153 E N -2.204 118.037 120.200 0.069 0.000 2.447 153 E HA -0.023 4.268 4.350 -0.098 0.000 0.195 153 E C -0.280 176.374 176.600 0.090 0.000 1.028 153 E CA 0.982 57.376 56.400 -0.011 0.000 0.876 153 E CB 0.648 30.316 29.700 -0.054 0.000 0.885 153 E HN 0.393 8.787 8.360 0.056 0.000 0.500 154 Q N -0.949 118.952 119.800 0.167 0.000 2.309 154 Q HA 0.281 4.880 4.340 0.218 -0.128 0.264 154 Q C -0.373 175.834 176.000 0.346 0.000 1.008 154 Q CA -1.335 54.591 55.803 0.205 0.000 0.853 154 Q CB 1.937 30.612 28.738 -0.105 0.000 1.314 154 Q HN -0.563 7.758 8.270 0.158 0.044 0.448 155 L N 5.806 127.110 121.223 0.135 0.000 2.461 155 L HA 0.013 3.842 4.340 -0.851 0.000 0.272 155 L C -1.178 175.602 176.870 -0.151 0.000 1.197 155 L CA 0.707 55.302 54.840 -0.408 0.000 0.836 155 L CB 1.031 42.747 42.059 -0.573 0.000 1.105 155 L HN 0.110 8.438 8.230 0.163 0.000 0.477 156 K N 3.257 123.483 120.400 -0.289 0.000 2.444 156 K HA 0.845 5.216 4.320 -0.168 -0.152 0.252 156 K C -1.798 174.644 176.600 -0.264 0.000 0.993 156 K CA -1.666 54.484 56.287 -0.227 0.000 0.847 156 K CB 4.153 36.500 32.500 -0.255 0.000 1.340 156 K HN -0.175 7.788 8.250 -0.479 0.000 0.446 157 M N -0.001 119.475 119.600 -0.206 0.000 2.569 157 M HA 0.911 5.475 4.480 -0.158 -0.179 0.279 157 M C -2.344 173.881 176.300 -0.124 0.000 1.253 157 M CA -0.696 54.510 55.300 -0.157 0.000 0.867 157 M CB 4.961 37.480 32.600 -0.135 0.000 1.727 157 M HN 0.596 8.762 8.290 -0.206 0.000 0.467 158 T N 0.827 115.329 114.554 -0.087 0.000 2.739 158 T HA 0.411 4.713 4.350 -0.081 0.000 0.303 158 T C -2.404 172.263 174.700 -0.055 0.000 1.389 158 T CA -1.180 60.876 62.100 -0.074 0.000 1.001 158 T CB 2.597 71.422 68.868 -0.070 0.000 1.436 158 T HN 0.027 8.224 8.240 -0.072 0.000 0.500 159 V N 2.639 122.520 119.914 -0.055 0.000 2.604 159 V HA 0.745 5.002 4.120 -0.053 -0.169 0.305 159 V C -1.589 174.467 176.094 -0.065 0.000 1.043 159 V CA -0.785 61.481 62.300 -0.056 0.000 0.888 159 V CB 2.737 34.528 31.823 -0.054 0.000 0.995 159 V HN 0.366 8.520 8.190 -0.059 0.000 0.429 160 V N 6.156 126.026 119.914 -0.073 0.000 3.102 160 V HA 0.336 4.398 4.120 -0.096 0.000 0.312 160 V C -2.402 173.632 176.094 -0.101 0.000 1.135 160 V CA -2.399 59.849 62.300 -0.087 0.000 1.022 160 V CB 5.292 37.080 31.823 -0.058 0.000 1.056 160 V HN 0.955 9.099 8.190 -0.076 0.000 0.436 161 K N 1.922 122.256 120.400 -0.111 0.000 2.203 161 K HA 0.753 5.211 4.320 -0.095 -0.195 0.251 161 K C -0.833 175.715 176.600 -0.085 0.000 0.944 161 K CA -2.235 53.993 56.287 -0.098 0.000 0.829 161 K CB 3.367 35.809 32.500 -0.096 0.000 1.125 161 K HN 0.404 8.469 8.250 -0.128 0.108 0.430 162 L N 0.856 122.039 121.223 -0.068 0.000 2.397 162 L HA 0.220 4.644 4.340 -0.068 -0.126 0.271 162 L C 0.182 177.071 176.870 0.032 0.000 1.148 162 L CA -0.028 54.787 54.840 -0.041 0.000 0.825 162 L CB 0.472 42.516 42.059 -0.026 0.000 1.117 162 L HN 0.363 8.550 8.230 -0.072 0.000 0.456 163 I N -3.653 116.929 120.570 0.019 0.000 2.846 163 I HA 0.478 4.735 4.170 0.145 0.000 0.307 163 I C -1.461 174.618 176.117 -0.064 0.000 1.053 163 I CA -1.903 59.418 61.300 0.035 0.000 1.050 163 I CB 3.128 41.132 38.000 0.007 0.000 1.239 163 I HN 0.303 8.499 8.210 -0.024 0.000 0.439 164 S N 0.335 115.936 115.700 -0.165 0.000 2.608 164 S HA -0.019 4.342 4.470 -0.182 0.000 0.261 164 S C 1.026 175.457 174.600 -0.283 0.000 1.314 164 S CA -0.058 57.981 58.200 -0.268 0.000 0.992 164 S CB 1.417 64.310 63.200 -0.512 0.000 0.935 164 S HN 0.403 8.589 8.310 -0.206 0.000 0.564 165 H N 2.730 121.751 119.070 -0.081 0.000 2.395 165 H HA -0.160 4.388 4.556 -0.014 0.000 0.299 165 H C 2.329 177.608 175.328 -0.082 0.000 1.070 165 H CA 4.502 60.523 56.048 -0.044 0.000 1.356 165 H CB -0.178 29.575 29.762 -0.014 0.000 1.401 165 H HN 0.713 9.019 8.280 0.043 0.000 0.524 166 R N -0.442 120.045 120.500 -0.021 0.000 2.096 166 R HA -0.347 3.973 4.340 -0.033 0.000 0.240 166 R C 2.198 178.398 176.300 -0.165 0.000 1.139 166 R CA 3.190 59.242 56.100 -0.079 0.000 0.952 166 R CB -0.767 29.465 30.300 -0.114 0.000 0.854 166 R HN 0.369 8.631 8.270 -0.014 0.000 0.436 167 E N -1.234 118.821 120.200 -0.241 0.000 2.047 167 E HA -0.293 3.810 4.350 -0.412 0.000 0.191 167 E C 1.988 178.214 176.600 -0.624 0.000 0.987 167 E CA 2.793 58.950 56.400 -0.405 0.000 0.799 167 E CB -0.049 29.463 29.700 -0.314 0.000 0.752 167 E HN -0.660 7.559 8.360 -0.232 0.002 0.449 168 c N -1.176 117.236 118.600 -0.312 0.000 2.432 168 c HA -0.249 4.281 4.570 -0.067 0.000 0.282 168 c C 0.068 174.168 174.090 0.017 0.000 1.388 168 c CA 2.229 58.500 56.329 -0.098 0.000 1.777 168 c CB -0.807 41.742 42.510 0.064 0.000 1.882 168 c HN -0.541 7.559 8.230 -0.216 0.000 0.520 169 Q N -0.269 119.526 119.800 -0.009 0.000 2.835 169 Q HA 0.243 4.856 4.340 0.161 -0.176 0.235 169 Q C 0.451 176.472 176.000 0.035 0.000 1.313 169 Q CA -1.079 54.770 55.803 0.077 0.000 1.053 169 Q CB -1.845 26.946 28.738 0.088 0.000 1.443 169 Q HN 0.046 8.248 8.270 -0.062 0.031 0.576 170 H N -0.686 118.448 119.070 0.108 0.000 2.812 170 H HA -0.442 4.125 4.556 0.018 0.000 0.337 170 H C -0.290 175.068 175.328 0.050 0.000 0.895 170 H CA 1.905 57.996 56.048 0.072 0.000 1.192 170 H CB -1.135 28.659 29.762 0.054 0.000 1.416 170 H HN 0.251 8.896 8.280 0.608 0.000 0.362 171 Y N -1.137 119.019 120.300 -0.241 0.000 2.845 171 Y HA 0.415 4.853 4.550 -0.553 -0.220 0.144 171 Y C 0.689 176.380 175.900 -0.347 0.000 0.890 171 Y CA -0.737 57.102 58.100 -0.435 0.000 1.725 171 Y CB 1.684 39.921 38.460 -0.371 0.000 1.172 171 Y HN -0.474 7.932 8.280 0.210 0.000 0.385 172 Y N -4.797 115.647 120.300 0.240 0.000 2.626 172 Y HA 0.096 4.756 4.550 0.184 0.000 0.248 172 Y C -0.071 175.936 175.900 0.177 0.000 1.147 172 Y CA -0.972 57.255 58.100 0.211 0.000 1.219 172 Y CB 1.046 39.680 38.460 0.291 0.000 1.279 172 Y HN -0.339 8.093 8.280 0.253 0.000 0.541 173 G N 0.583 109.539 108.800 0.260 0.000 2.594 173 G HA2 -0.484 3.711 3.960 0.146 0.000 0.297 173 G HA3 -0.484 3.574 3.960 0.164 0.000 0.297 173 G C -0.182 174.831 174.900 0.188 0.000 1.273 173 G CA 1.151 46.361 45.100 0.184 0.000 0.974 173 G HN -0.740 7.685 8.290 0.226 0.000 0.552 174 S N 0.501 116.290 115.700 0.147 0.000 2.763 174 S HA 0.031 4.587 4.470 0.143 0.000 0.237 174 S C -0.168 174.528 174.600 0.160 0.000 0.966 174 S CA 0.214 58.496 58.200 0.137 0.000 1.017 174 S CB -0.680 62.575 63.200 0.091 0.000 0.780 174 S HN 0.253 8.637 8.310 0.124 0.000 0.476 175 E N 0.110 120.434 120.200 0.206 0.000 2.250 175 E HA -0.117 4.311 4.350 0.130 0.000 0.192 175 E C -0.772 175.998 176.600 0.283 0.000 0.986 175 E CA 1.068 57.579 56.400 0.184 0.000 0.849 175 E CB 0.631 30.422 29.700 0.153 0.000 0.797 175 E HN -0.288 8.094 8.360 0.244 0.125 0.482 176 V N 0.441 120.551 119.914 0.327 0.000 2.432 176 V HA -0.012 4.330 4.120 0.370 0.000 0.275 176 V C -0.542 175.703 176.094 0.252 0.000 1.043 176 V CA 0.293 62.785 62.300 0.321 0.000 0.925 176 V CB 0.299 32.302 31.823 0.301 0.000 0.985 176 V HN -0.906 7.442 8.190 0.311 0.029 0.466 177 T N 3.193 117.887 114.554 0.234 0.000 2.919 177 T HA 0.386 4.812 4.350 0.127 0.000 0.282 177 T C 0.802 175.550 174.700 0.080 0.000 1.020 177 T CA -2.165 60.029 62.100 0.157 0.000 0.994 177 T CB 2.217 71.199 68.868 0.189 0.000 1.180 177 T HN -0.300 8.092 8.240 0.253 0.000 0.566 178 T N -4.952 109.582 114.554 -0.033 0.000 3.007 178 T HA -0.200 3.867 4.350 -0.472 0.000 0.270 178 T C 0.886 175.487 174.700 -0.164 0.000 1.107 178 T CA 2.725 64.707 62.100 -0.198 0.000 1.118 178 T CB -0.560 68.233 68.868 -0.125 0.000 0.889 178 T HN 0.207 8.445 8.240 -0.004 0.000 0.506 179 K N 0.495 120.880 120.400 -0.025 0.000 2.469 179 K HA 0.185 4.370 4.320 -0.226 0.000 0.201 179 K C -1.357 175.325 176.600 0.137 0.000 1.028 179 K CA -0.693 55.586 56.287 -0.014 0.000 1.170 179 K CB -0.696 31.846 32.500 0.070 0.000 0.874 179 K HN -0.623 7.606 8.250 0.047 0.049 0.507 180 M N -2.406 117.276 119.600 0.138 0.000 2.727 180 M HA 0.758 5.504 4.480 0.186 -0.154 0.300 180 M C -1.738 174.689 176.300 0.213 0.000 1.246 180 M CA -0.943 54.467 55.300 0.183 0.000 0.835 180 M CB 5.562 38.274 32.600 0.188 0.000 1.755 180 M HN -0.544 7.705 8.290 0.110 0.107 0.473 181 L N -3.802 117.507 121.223 0.144 0.000 2.424 181 L HA 0.508 4.831 4.340 -0.028 0.000 0.258 181 L C -1.997 174.910 176.870 0.062 0.000 0.995 181 L CA -1.227 53.650 54.840 0.062 0.000 0.821 181 L CB 5.161 47.253 42.059 0.055 0.000 1.383 181 L HN 0.245 8.555 8.230 0.135 0.000 0.410 182 c N -0.269 118.321 118.600 -0.017 0.000 2.507 182 c HA 1.015 5.857 4.570 0.130 -0.194 0.319 182 c C -1.424 172.701 174.090 0.058 0.000 1.208 182 c CA -1.311 55.054 56.329 0.061 0.000 1.619 182 c CB 2.668 45.201 42.510 0.038 0.000 2.230 182 c HN 0.777 8.928 8.230 -0.132 0.000 0.492 183 A N 2.063 124.966 122.820 0.138 0.000 2.455 183 A HA 1.109 5.567 4.320 -0.023 -0.151 0.300 183 A C -2.566 175.048 177.584 0.050 0.000 1.040 183 A CA -1.138 50.919 52.037 0.033 0.000 0.697 183 A CB 3.512 22.458 19.000 -0.090 0.000 1.265 183 A HN 0.577 8.874 8.150 0.244 0.000 0.407 184 A N 1.203 123.981 122.820 -0.070 0.000 4.431 184 A HA 0.470 4.751 4.320 -0.065 0.000 0.247 184 A C -0.502 176.901 177.584 -0.301 0.000 0.974 184 A CA -0.343 51.583 52.037 -0.185 0.000 0.633 184 A CB 2.014 20.768 19.000 -0.410 0.000 1.698 184 A HN 0.647 8.737 8.150 -0.100 0.000 0.843 185 Q N -0.613 118.996 119.800 -0.319 0.000 2.065 185 Q HA -0.438 3.914 4.340 0.020 0.000 0.304 185 Q C -0.830 175.167 176.000 -0.004 0.000 1.022 185 Q CA 0.645 56.388 55.803 -0.101 0.000 1.010 185 Q CB -1.791 26.932 28.738 -0.025 0.000 1.344 185 Q HN 0.515 8.620 8.270 -0.275 0.000 0.543 186 W N -7.915 113.377 121.300 -0.014 0.000 7.735 186 W HA -0.319 4.329 4.660 -0.021 0.000 0.417 186 W C -0.487 176.021 176.519 -0.018 0.000 1.632 186 W CA 0.015 57.346 57.345 -0.023 0.000 1.240 186 W CB -2.879 26.556 29.460 -0.042 0.000 2.848 186 W HN 0.015 7.590 8.180 -1.008 0.000 1.689 187 K N -2.967 117.475 120.400 0.070 0.000 2.287 187 K HA 0.190 4.555 4.320 0.075 0.000 0.199 187 K C 0.271 176.888 176.600 0.030 0.000 1.061 187 K CA 0.210 56.526 56.287 0.049 0.000 0.976 187 K CB 1.832 34.339 32.500 0.011 0.000 0.898 187 K HN -0.386 8.122 8.250 -0.017 -0.269 0.492 188 T N -2.459 112.100 114.554 0.007 0.000 2.930 188 T HA 0.351 4.845 4.350 0.004 -0.141 0.290 188 T C -2.257 172.456 174.700 0.022 0.000 1.052 188 T CA -1.507 60.592 62.100 -0.001 0.000 1.017 188 T CB 2.573 71.421 68.868 -0.033 0.000 1.137 188 T HN -0.523 7.709 8.240 -0.014 0.000 0.511 189 D N 1.022 121.441 120.400 0.030 0.000 2.808 189 D HA 0.210 4.891 4.640 0.068 0.000 0.294 189 D C -1.951 174.385 176.300 0.060 0.000 1.278 189 D CA -0.685 53.353 54.000 0.063 0.000 0.756 189 D CB 2.424 43.281 40.800 0.094 0.000 1.271 189 D HN -0.261 8.117 8.370 0.014 0.000 0.425 190 S N -1.680 114.069 115.700 0.082 0.000 2.681 190 S HA 0.206 4.708 4.470 0.053 0.000 0.270 190 S C -1.469 173.162 174.600 0.052 0.000 1.209 190 S CA -0.264 57.975 58.200 0.065 0.000 0.988 190 S CB 1.529 64.774 63.200 0.075 0.000 1.006 190 S HN 0.287 8.660 8.310 0.105 0.000 0.558 191 c N -2.011 116.621 118.600 0.054 0.000 3.254 191 c HA 0.152 4.765 4.570 0.071 0.000 0.374 191 c C -1.618 172.528 174.090 0.092 0.000 1.710 191 c CA -0.521 55.853 56.329 0.074 0.000 1.149 191 c CB 2.615 45.175 42.510 0.083 0.000 2.019 191 c HN 0.023 8.474 8.230 0.052 -0.190 0.427 192 Q N 1.884 121.761 119.800 0.129 0.000 2.330 192 Q HA -0.130 4.304 4.340 0.156 0.000 0.279 192 Q C 0.879 176.994 176.000 0.192 0.000 1.024 192 Q CA 2.081 57.990 55.803 0.176 0.000 0.900 192 Q CB 0.859 29.718 28.738 0.201 0.000 1.221 192 Q HN 0.555 8.901 8.270 0.127 0.000 0.396 193 G N 5.315 114.207 108.800 0.153 0.000 2.195 193 G HA2 -0.319 3.671 3.960 0.051 0.000 0.246 193 G HA3 -0.319 3.367 3.960 -0.456 0.000 0.246 193 G C -0.380 174.519 174.900 -0.001 0.000 0.984 193 G CA 0.691 45.761 45.100 -0.050 0.000 0.633 193 G HN 0.684 9.076 8.290 0.169 0.000 0.525 194 D N -0.238 120.195 120.400 0.055 0.000 2.379 194 D HA 0.079 4.800 4.640 0.134 0.000 0.208 194 D C 0.066 176.423 176.300 0.095 0.000 1.065 194 D CA 0.329 54.384 54.000 0.091 0.000 0.848 194 D CB 0.801 41.642 40.800 0.069 0.000 0.949 194 D HN -0.135 8.200 8.370 0.072 0.078 0.509 195 S N -0.727 115.010 115.700 0.063 0.000 2.561 195 S HA -0.508 4.119 4.470 0.051 -0.127 0.294 195 S C 1.079 175.641 174.600 -0.064 0.000 1.294 195 S CA 3.293 61.502 58.200 0.014 0.000 1.055 195 S CB 0.205 63.413 63.200 0.013 0.000 0.819 195 S HN -0.392 7.911 8.310 0.077 0.053 0.503 196 G N 4.099 112.852 108.800 -0.079 0.000 2.304 196 G HA2 -0.477 3.495 3.960 -0.080 0.000 0.252 196 G HA3 -0.477 3.526 3.960 -0.119 -0.115 0.252 196 G C -0.088 174.834 174.900 0.037 0.000 1.014 196 G CA 0.343 45.404 45.100 -0.066 0.000 0.619 196 G HN 0.634 8.887 8.290 -0.061 0.000 0.525 197 G N 0.881 109.754 108.800 0.121 0.000 2.616 197 G HA2 0.341 4.429 3.960 0.213 0.000 0.268 197 G HA3 0.341 4.519 3.960 0.362 0.000 0.268 197 G C -2.757 172.281 174.900 0.230 0.000 1.213 197 G CA -1.864 43.383 45.100 0.245 0.000 0.926 197 G HN -0.527 7.724 8.290 0.111 0.106 0.523 198 P HA 0.525 5.174 4.420 0.155 -0.136 0.285 198 P C -1.894 175.497 177.300 0.153 0.000 1.269 198 P CA -1.449 61.770 63.100 0.199 0.000 0.844 198 P CB 2.154 33.989 31.700 0.226 0.000 1.094 199 L N 2.426 123.680 121.223 0.051 0.000 2.388 199 L HA 0.469 4.903 4.340 -0.089 -0.147 0.267 199 L C -2.119 174.701 176.870 -0.084 0.000 0.995 199 L CA -0.798 53.978 54.840 -0.106 0.000 0.864 199 L CB 1.705 43.539 42.059 -0.374 0.000 1.216 199 L HN -0.026 8.231 8.230 0.044 0.000 0.430 200 V N 7.706 127.590 119.914 -0.050 0.000 2.435 200 V HA 0.841 5.122 4.120 -0.107 -0.224 0.290 200 V C -0.989 175.063 176.094 -0.070 0.000 1.030 200 V CA -1.490 60.768 62.300 -0.069 0.000 0.881 200 V CB 2.005 33.813 31.823 -0.026 0.000 0.983 200 V HN 0.659 8.837 8.190 -0.020 0.000 0.445 201 c N 5.012 123.561 118.600 -0.086 0.000 3.080 201 c HA 0.433 4.967 4.570 -0.060 0.000 0.307 201 c C -1.450 172.599 174.090 -0.068 0.000 1.311 201 c CA -1.692 54.594 56.329 -0.071 0.000 1.533 201 c CB 4.114 46.578 42.510 -0.076 0.000 1.970 201 c HN 0.842 9.010 8.230 -0.103 0.000 0.467 202 S N 1.370 117.038 115.700 -0.053 0.000 2.457 202 S HA 0.840 5.508 4.470 -0.057 -0.233 0.289 202 S C -0.757 173.816 174.600 -0.045 0.000 1.163 202 S CA -0.570 57.601 58.200 -0.048 0.000 1.078 202 S CB 0.595 63.775 63.200 -0.033 0.000 0.987 202 S HN 0.389 8.669 8.310 -0.050 0.000 0.482 203 L N 4.431 125.627 121.223 -0.045 0.000 2.381 203 L HA 0.264 4.586 4.340 -0.030 0.000 0.274 203 L C -0.691 176.162 176.870 -0.029 0.000 0.988 203 L CA -0.530 54.290 54.840 -0.034 0.000 0.824 203 L CB 2.513 44.553 42.059 -0.031 0.000 1.263 203 L HN 0.883 8.981 8.230 -0.052 0.101 0.410 204 Q N 4.194 123.981 119.800 -0.022 0.000 2.411 204 Q HA -0.432 3.898 4.340 -0.015 0.000 0.305 204 Q C -0.294 175.696 176.000 -0.018 0.000 1.273 204 Q CA 0.834 56.627 55.803 -0.017 0.000 0.895 204 Q CB -1.647 27.082 28.738 -0.014 0.000 1.198 204 Q HN 0.949 9.206 8.270 -0.021 0.000 0.470 205 G N -5.571 103.217 108.800 -0.020 0.000 2.268 205 G HA2 -0.392 3.559 3.960 -0.014 0.000 0.240 205 G HA3 -0.392 3.560 3.960 -0.013 0.000 0.240 205 G C -0.849 174.039 174.900 -0.020 0.000 1.010 205 G CA -0.295 44.796 45.100 -0.016 0.000 0.618 205 G HN 0.020 8.287 8.290 -0.022 0.010 0.516 206 R N 0.199 120.681 120.500 -0.031 0.000 2.720 206 R HA 0.322 4.641 4.340 -0.034 0.000 0.272 206 R C -1.096 175.160 176.300 -0.072 0.000 0.991 206 R CA -1.659 54.413 56.100 -0.046 0.000 1.010 206 R CB 1.757 32.023 30.300 -0.056 0.000 1.141 206 R HN 0.171 8.249 8.270 -0.032 0.173 0.494 207 M N 2.000 121.538 119.600 -0.102 0.000 2.108 207 M HA 0.285 4.835 4.480 -0.109 -0.135 0.347 207 M C -0.237 175.916 176.300 -0.246 0.000 1.326 207 M CA -1.494 53.712 55.300 -0.157 0.000 1.126 207 M CB -0.895 31.597 32.600 -0.179 0.000 1.606 207 M HN 0.410 8.644 8.290 -0.093 0.000 0.462 208 T N 5.844 120.284 114.554 -0.190 0.000 2.888 208 T HA 0.350 4.714 4.350 -0.211 -0.141 0.284 208 T C -1.454 173.134 174.700 -0.186 0.000 1.017 208 T CA -0.470 61.521 62.100 -0.181 0.000 1.022 208 T CB 2.287 71.091 68.868 -0.106 0.000 1.013 208 T HN 0.979 9.133 8.240 -0.142 0.000 0.465 209 L N 5.763 126.878 121.223 -0.180 0.000 2.363 209 L HA 0.037 4.289 4.340 -0.147 0.000 0.286 209 L C -0.637 176.193 176.870 -0.068 0.000 1.106 209 L CA 0.208 54.968 54.840 -0.133 0.000 0.859 209 L CB -0.154 41.840 42.059 -0.108 0.000 1.223 209 L HN 0.284 8.408 8.230 -0.177 0.000 0.446 210 T N 6.502 121.017 114.554 -0.066 0.000 2.976 210 T HA 0.160 4.502 4.350 -0.014 0.000 0.257 210 T C 0.092 174.785 174.700 -0.011 0.000 1.051 210 T CA 2.964 65.041 62.100 -0.039 0.000 1.141 210 T CB 1.200 70.027 68.868 -0.068 0.000 0.881 210 T HN 0.508 8.696 8.240 -0.086 0.000 0.461 211 G N -2.237 106.546 108.800 -0.028 0.000 2.695 211 G HA2 0.663 4.876 3.960 0.094 0.000 0.290 211 G HA3 0.663 4.639 3.960 0.027 0.000 0.290 211 G C -3.411 171.575 174.900 0.143 0.000 1.410 211 G CA -0.607 44.528 45.100 0.057 0.000 0.844 211 G HN -0.458 7.795 8.290 -0.061 0.000 0.478 212 I N -1.174 119.531 120.570 0.225 0.000 2.433 212 I HA 0.571 5.056 4.170 0.190 -0.201 0.292 212 I C -0.210 176.064 176.117 0.261 0.000 1.001 212 I CA -1.415 60.000 61.300 0.192 0.000 1.119 212 I CB 3.755 41.791 38.000 0.061 0.000 1.289 212 I HN -0.371 8.052 8.210 0.225 -0.078 0.438 213 V N 7.005 127.048 119.914 0.215 0.000 2.540 213 V HA -0.275 3.481 4.120 -0.607 0.000 0.297 213 V C -1.014 175.033 176.094 -0.078 0.000 1.024 213 V CA 2.212 64.458 62.300 -0.089 0.000 1.105 213 V CB -0.766 31.077 31.823 0.032 0.000 0.938 213 V HN 0.440 8.767 8.190 0.227 0.000 0.482 214 S N 7.191 122.793 115.700 -0.164 0.000 3.148 214 S HA 0.380 4.985 4.470 0.225 0.000 0.246 214 S C -1.436 173.336 174.600 0.286 0.000 1.041 214 S CA 0.576 58.858 58.200 0.137 0.000 0.813 214 S CB 2.077 65.385 63.200 0.181 0.000 0.813 214 S HN -0.060 7.963 8.310 -0.477 0.000 0.546 215 W N -2.840 118.402 121.300 -0.097 0.000 2.923 215 W HA 0.271 4.899 4.660 -0.053 0.000 0.373 215 W C -2.716 173.714 176.519 -0.148 0.000 1.205 215 W CA -1.191 56.100 57.345 -0.090 0.000 1.180 215 W CB 0.867 30.271 29.460 -0.093 0.000 1.477 215 W HN -0.433 7.515 8.180 -0.388 0.000 0.581 216 G N -3.295 105.630 108.800 0.209 0.000 2.411 216 G HA2 0.164 4.081 3.960 -0.071 0.000 0.295 216 G HA3 0.164 4.148 3.960 0.039 0.000 0.295 216 G C -2.409 172.641 174.900 0.249 0.000 1.542 216 G CA 0.415 45.574 45.100 0.098 0.000 0.814 216 G HN -0.104 8.426 8.290 0.399 0.000 0.557 220 c N 0.780 119.424 118.600 0.072 0.000 2.481 220 c HA 0.189 4.926 4.570 0.087 -0.115 0.324 220 c C -0.184 173.952 174.090 0.076 0.000 1.170 220 c CA -0.723 55.653 56.329 0.078 0.000 1.361 220 c CB 1.005 43.560 42.510 0.075 0.000 1.977 220 c HN 0.316 8.583 8.230 0.061 0.000 0.459 221 A N 3.785 126.665 122.820 0.101 0.000 2.846 221 A HA -0.395 4.037 4.320 0.187 0.000 0.287 221 A C -1.684 175.967 177.584 0.112 0.000 1.469 221 A CA 0.941 53.057 52.037 0.132 0.000 0.757 221 A CB -1.512 17.546 19.000 0.097 0.000 1.033 221 A HN 0.667 9.218 8.150 0.109 -0.335 0.516 222 L N -2.587 118.674 121.223 0.062 0.000 2.718 222 L HA -0.044 4.258 4.340 -0.064 0.000 0.166 222 L C 1.053 177.752 176.870 -0.284 0.000 1.893 222 L CA -0.937 53.859 54.840 -0.075 0.000 2.845 222 L CB 0.567 42.572 42.059 -0.091 0.000 2.993 222 L HN -0.511 7.762 8.230 0.084 0.008 0.684 223 D N -3.954 115.074 120.400 -2.287 0.000 3.146 223 D HA -0.355 2.985 4.640 -2.167 0.000 0.200 223 D C -1.146 174.317 176.300 -1.395 0.000 1.153 223 D CA 2.037 54.897 54.000 -1.899 0.000 0.659 223 D CB -1.398 38.564 40.800 -1.397 0.000 1.072 223 D HN 0.224 6.128 8.370 -4.111 0.000 0.402 224 K N -3.237 116.626 120.400 -0.896 0.000 2.687 224 K HA 0.543 4.305 4.320 -0.929 0.000 0.197 224 K C -2.526 174.055 176.600 -0.032 0.000 1.049 224 K CA -3.946 52.032 56.287 -0.515 0.000 1.030 224 K CB 0.296 32.648 32.500 -0.246 0.000 1.261 224 K HN -0.647 7.028 8.250 -0.958 0.000 0.565 225 P HA -0.076 4.582 4.420 0.396 0.000 0.274 225 P C -1.094 176.348 177.300 0.237 0.000 1.260 225 P CA -0.344 62.945 63.100 0.314 0.000 0.793 225 P CB 1.069 32.958 31.700 0.315 0.000 1.048 226 G N -2.422 106.466 108.800 0.146 0.000 2.389 226 G HA2 0.554 4.434 3.960 -0.134 0.000 0.317 226 G HA3 0.554 4.482 3.960 -0.054 0.000 0.317 226 G C -2.086 172.689 174.900 -0.208 0.000 1.137 226 G CA -1.025 44.031 45.100 -0.073 0.000 0.870 226 G HN -0.192 8.217 8.290 0.198 0.000 0.496 227 V N 2.932 122.444 119.914 -0.670 0.000 2.513 227 V HA 0.739 4.854 4.120 -0.278 -0.161 0.299 227 V C -0.931 174.745 176.094 -0.696 0.000 1.035 227 V CA -1.121 60.747 62.300 -0.720 0.000 0.889 227 V CB 2.110 32.930 31.823 -1.672 0.000 0.988 227 V HN 0.640 8.353 8.190 -0.795 0.000 0.440 228 Y N 4.493 124.673 120.300 -0.199 0.000 2.570 228 Y HA 0.632 5.281 4.550 -0.054 -0.132 0.345 228 Y C 0.236 176.133 175.900 -0.004 0.000 1.014 228 Y CA -2.170 55.888 58.100 -0.070 0.000 1.063 228 Y CB 3.843 42.280 38.460 -0.038 0.000 1.272 228 Y HN 1.143 9.392 8.280 0.126 0.107 0.477 229 T N 3.391 118.051 114.554 0.176 0.000 2.884 229 T HA -0.026 4.429 4.350 0.174 0.000 0.298 229 T C -0.758 174.056 174.700 0.191 0.000 0.998 229 T CA 1.785 63.967 62.100 0.136 0.000 1.124 229 T CB 0.563 69.408 68.868 -0.040 0.000 0.931 229 T HN 0.418 8.758 8.240 0.167 0.000 0.531 230 R N 7.908 128.566 120.500 0.264 0.000 2.608 230 R HA 0.118 4.546 4.340 0.147 0.000 0.277 230 R C 0.968 177.475 176.300 0.346 0.000 1.341 230 R CA -0.804 55.419 56.100 0.205 0.000 1.199 230 R CB -0.440 29.874 30.300 0.024 0.000 1.156 230 R HN -0.167 8.312 8.270 0.348 0.000 0.558 231 V N 7.599 127.665 119.914 0.254 0.000 2.278 231 V HA -0.597 3.721 4.120 0.331 0.000 0.251 231 V C 1.338 177.568 176.094 0.226 0.000 1.062 231 V CA 4.129 66.580 62.300 0.251 0.000 1.038 231 V CB -0.132 31.759 31.823 0.113 0.000 0.646 231 V HN 0.065 8.357 8.190 0.170 0.000 0.447 232 S N -0.857 114.939 115.700 0.161 0.000 2.462 232 S HA -0.408 4.043 4.470 -0.033 0.000 0.243 232 S C 1.077 175.576 174.600 -0.168 0.000 1.003 232 S CA 3.327 61.557 58.200 0.050 0.000 0.970 232 S CB -0.292 62.990 63.200 0.138 0.000 0.762 232 S HN 0.333 8.739 8.310 0.160 0.000 0.510 233 H N 0.541 119.483 119.070 -0.214 0.000 2.575 233 H HA 0.055 4.146 4.556 -0.775 0.000 0.267 233 H C 0.335 175.344 175.328 -0.532 0.000 0.966 233 H CA 1.697 57.481 56.048 -0.440 0.000 1.165 233 H CB 0.438 30.031 29.762 -0.282 0.000 1.433 233 H HN -0.418 7.860 8.280 0.312 0.190 0.544 234 F N -2.908 117.056 119.950 0.024 0.000 2.678 234 F HA 0.045 4.651 4.527 0.131 0.000 0.305 234 F C 0.363 176.241 175.800 0.129 0.000 1.090 234 F CA 0.716 58.778 58.000 0.103 0.000 1.272 234 F CB 0.832 39.895 39.000 0.104 0.000 1.060 234 F HN -0.006 8.253 8.300 0.230 0.179 0.576 235 L N 1.079 122.360 121.223 0.097 0.000 2.034 235 L HA -0.344 4.048 4.340 0.086 0.000 0.217 235 L C -0.792 176.124 176.870 0.076 0.000 1.077 235 L CA 5.417 60.285 54.840 0.047 0.000 0.769 235 L CB -3.423 38.584 42.059 -0.087 0.000 0.890 235 L HN -0.430 7.726 8.230 -0.036 0.052 0.435 236 P HA -0.262 4.183 4.420 0.041 0.000 0.213 236 P C 1.495 178.897 177.300 0.170 0.000 1.170 236 P CA 3.332 66.490 63.100 0.098 0.000 0.902 236 P CB -0.553 31.212 31.700 0.109 0.000 0.789 237 W N -1.757 119.624 121.300 0.135 0.000 2.318 237 W HA -0.236 4.560 4.660 0.227 0.000 0.313 237 W C 2.281 178.927 176.519 0.212 0.000 1.221 237 W CA 3.576 61.063 57.345 0.236 0.000 1.266 237 W CB -0.243 29.459 29.460 0.404 0.000 1.150 237 W HN -0.799 7.648 8.180 0.446 0.000 0.496 238 I N -1.184 119.521 120.570 0.225 0.000 2.099 238 I HA -0.714 3.253 4.170 -0.338 0.000 0.239 238 I C 2.565 178.552 176.117 -0.218 0.000 1.066 238 I CA 4.607 65.852 61.300 -0.091 0.000 1.324 238 I CB -0.414 37.607 38.000 0.035 0.000 1.037 238 I HN 0.003 8.475 8.210 0.437 0.000 0.401 239 R N -0.151 120.278 120.500 -0.119 0.000 2.122 239 R HA -0.426 3.803 4.340 -0.185 0.000 0.236 239 R C 2.840 179.003 176.300 -0.227 0.000 1.129 239 R CA 3.655 59.661 56.100 -0.157 0.000 0.925 239 R CB -0.196 30.052 30.300 -0.087 0.000 0.850 239 R HN 0.414 8.665 8.270 -0.031 0.000 0.431 240 S N -2.057 113.506 115.700 -0.228 0.000 2.520 240 S HA -0.131 4.172 4.470 -0.278 0.000 0.249 240 S C 0.749 174.966 174.600 -0.640 0.000 0.983 240 S CA 2.428 60.405 58.200 -0.373 0.000 0.958 240 S CB -0.625 62.359 63.200 -0.360 0.000 0.750 240 S HN 0.128 8.352 8.310 -0.144 0.000 0.527 241 H N -2.278 116.509 119.070 -0.472 0.000 3.255 241 H HA 0.286 4.617 4.556 -0.374 0.000 0.256 241 H C -0.813 174.097 175.328 -0.697 0.000 1.049 241 H CA 0.427 56.144 56.048 -0.551 0.000 1.202 241 H CB 2.111 31.416 29.762 -0.763 0.000 1.497 241 H HN -0.216 7.617 8.280 -0.389 0.214 0.503 242 T N 2.219 116.398 114.554 -0.626 0.000 2.928 242 T HA 0.111 3.701 4.350 -1.267 0.000 0.284 242 T C -1.426 173.098 174.700 -0.293 0.000 1.008 242 T CA 0.487 62.114 62.100 -0.788 0.000 1.057 242 T CB 1.232 69.613 68.868 -0.813 0.000 1.018 242 T HN -0.373 7.468 8.240 -0.489 0.106 0.493 243 K N 1.371 121.726 120.400 -0.075 0.000 2.578 243 K HA 0.109 4.408 4.320 -0.034 0.000 0.287 243 K C -0.953 175.712 176.600 0.110 0.000 1.010 243 K CA -0.863 55.435 56.287 0.020 0.000 0.889 243 K CB 2.028 34.551 32.500 0.038 0.000 1.514 243 K HN -0.096 8.188 8.250 0.057 0.000 0.424 244 E N 1.074 121.312 120.200 0.064 0.000 3.771 244 E HA -0.420 3.953 4.350 0.039 0.000 0.271 244 E C -0.689 175.960 176.600 0.081 0.000 1.545 244 E CA 1.603 58.040 56.400 0.062 0.000 2.358 244 E CB -0.692 29.042 29.700 0.058 0.000 2.055 244 E HN 0.175 8.555 8.360 0.033 0.000 0.431 245 E N 0.000 120.239 120.200 0.065 0.000 2.725 245 E HA 0.000 4.395 4.350 0.075 0.000 0.291 245 E CA 0.000 56.435 56.400 0.059 0.000 0.976 245 E CB 0.000 29.723 29.700 0.038 0.000 0.812 245 E HN 0.000 8.390 8.360 0.051 0.000 0.440