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 1c5w_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 4.165 4.170 -0.009 0.000 0.288 16 I C 0.000 176.093 176.117 -0.040 0.000 1.063 16 I CA 0.000 61.277 61.300 -0.039 0.000 1.566 16 I CB 0.000 37.946 38.000 -0.091 0.000 1.214 17 I N 3.941 124.499 120.570 -0.020 0.000 2.353 17 I HA 0.443 4.768 4.170 -0.021 -0.167 0.293 17 I C 0.723 176.811 176.117 -0.048 0.000 0.992 17 I CA -2.565 58.724 61.300 -0.017 0.000 1.268 17 I CB -0.844 37.167 38.000 0.017 0.000 1.387 17 I HN 0.437 8.644 8.210 -0.005 0.000 0.478 18 G N 4.769 113.526 108.800 -0.073 0.000 2.562 18 G HA2 -0.385 3.519 3.960 -0.093 0.000 0.250 18 G HA3 -0.385 3.536 3.960 -0.066 0.000 0.250 18 G C -1.014 173.796 174.900 -0.149 0.000 1.269 18 G CA -0.142 44.902 45.100 -0.093 0.000 0.919 18 G HN 0.298 8.546 8.290 -0.069 0.000 0.574 19 G N 1.848 110.566 108.800 -0.136 0.000 2.698 19 G HA2 -0.408 3.482 3.960 -0.129 0.000 0.225 19 G HA3 -0.408 3.487 3.960 -0.189 -0.049 0.225 19 G C -1.474 173.293 174.900 -0.222 0.000 1.345 19 G CA -0.314 44.685 45.100 -0.168 0.000 0.871 19 G HN -0.109 8.118 8.290 -0.104 0.000 0.540 20 E N -2.258 117.798 120.200 -0.239 0.000 2.410 20 E HA 0.387 4.570 4.350 -0.278 0.000 0.269 20 E C -1.288 175.138 176.600 -0.290 0.000 0.937 20 E CA -2.109 54.151 56.400 -0.234 0.000 0.793 20 E CB 2.916 32.555 29.700 -0.102 0.000 1.314 20 E HN 0.150 8.382 8.360 -0.212 0.000 0.447 21 F N 0.065 119.978 119.950 -0.062 0.000 2.379 21 F HA 0.645 5.264 4.527 -0.098 -0.151 0.332 21 F C 0.780 176.528 175.800 -0.087 0.000 1.096 21 F CA 0.394 58.349 58.000 -0.076 0.000 1.105 21 F CB 2.061 41.032 39.000 -0.048 0.000 1.189 21 F HN 0.276 8.580 8.300 0.007 0.000 0.515 22 T N -2.031 112.570 114.554 0.080 0.000 2.654 22 T HA 0.375 4.731 4.350 0.009 0.000 0.289 22 T C -1.982 172.699 174.700 -0.031 0.000 1.062 22 T CA -2.423 59.669 62.100 -0.012 0.000 1.041 22 T CB 2.665 71.481 68.868 -0.087 0.000 1.417 22 T HN 0.600 8.783 8.240 0.086 0.108 0.510 23 T N -3.242 111.277 114.554 -0.059 0.000 2.916 23 T HA 0.267 4.596 4.350 -0.036 0.000 0.292 23 T C 0.305 174.950 174.700 -0.092 0.000 1.064 23 T CA -1.911 60.158 62.100 -0.052 0.000 1.011 23 T CB 2.396 71.245 68.868 -0.031 0.000 1.152 23 T HN -0.583 7.616 8.240 -0.068 0.000 0.510 24 I N 1.968 122.499 120.570 -0.065 0.000 2.567 24 I HA -0.297 3.795 4.170 -0.131 0.000 0.257 24 I C 1.199 177.238 176.117 -0.131 0.000 1.184 24 I CA 0.914 62.164 61.300 -0.084 0.000 1.451 24 I CB 0.195 38.203 38.000 0.012 0.000 1.089 24 I HN 0.456 8.652 8.210 -0.024 0.000 0.441 25 E N -2.659 117.483 120.200 -0.097 0.000 2.219 25 E HA -0.291 4.140 4.350 -0.103 -0.142 0.198 25 E C 0.590 177.091 176.600 -0.166 0.000 0.998 25 E CA 2.475 58.811 56.400 -0.106 0.000 0.818 25 E CB -0.752 28.910 29.700 -0.063 0.000 0.741 25 E HN 0.531 8.815 8.360 -0.066 0.037 0.477 26 N N -3.712 114.885 118.700 -0.172 0.000 2.463 26 N HA -0.043 4.605 4.740 -0.153 0.000 0.181 26 N C -0.299 175.018 175.510 -0.322 0.000 1.078 26 N CA 1.169 54.106 53.050 -0.189 0.000 0.902 26 N CB 0.932 39.344 38.487 -0.124 0.000 0.970 26 N HN -0.562 7.694 8.380 -0.145 0.037 0.451 27 Q N -2.609 116.915 119.800 -0.460 0.000 3.316 27 Q HA 0.474 4.093 4.340 -1.201 0.000 0.295 27 Q C -1.996 173.465 176.000 -0.899 0.000 0.805 27 Q CA -1.940 53.393 55.803 -0.783 0.000 0.914 27 Q CB 0.317 28.827 28.738 -0.380 0.000 1.514 27 Q HN -0.127 7.737 8.270 -0.359 0.191 0.387 28 P HA 0.065 4.512 4.420 -0.244 -0.173 0.234 28 P C -0.368 176.799 177.300 -0.221 0.000 1.167 28 P CA 1.458 64.297 63.100 -0.435 0.000 0.763 28 P CB 0.091 31.610 31.700 -0.302 0.000 0.835 29 W N -4.543 116.834 121.300 0.128 0.000 3.239 29 W HA 0.398 5.260 4.660 0.092 -0.147 0.348 29 W C -1.394 175.217 176.519 0.154 0.000 1.183 29 W CA -3.587 53.826 57.345 0.114 0.000 1.819 29 W CB -0.955 28.556 29.460 0.086 0.000 1.091 29 W HN -0.699 6.425 8.180 -1.618 0.085 0.629 30 F N 4.134 124.111 119.950 0.044 0.000 2.427 30 F HA 0.427 5.244 4.527 0.235 -0.149 0.352 30 F C -1.995 173.900 175.800 0.157 0.000 1.100 30 F CA -0.595 57.484 58.000 0.133 0.000 1.191 30 F CB 2.077 41.087 39.000 0.017 0.000 1.128 30 F HN -0.288 7.862 8.300 0.031 0.169 0.533 31 A N 6.767 129.282 122.820 -0.510 0.000 2.337 31 A HA 0.758 5.211 4.320 0.005 -0.130 0.329 31 A C -2.503 174.820 177.584 -0.436 0.000 1.146 31 A CA -2.321 49.567 52.037 -0.248 0.000 0.800 31 A CB 3.297 22.228 19.000 -0.114 0.000 1.220 31 A HN 0.510 8.116 8.150 -0.737 0.102 0.472 32 A N 2.274 125.131 122.820 0.062 0.000 2.271 32 A HA 0.462 4.913 4.320 0.218 0.000 0.317 32 A C -1.925 175.816 177.584 0.262 0.000 1.245 32 A CA -1.852 50.360 52.037 0.291 0.000 0.857 32 A CB 1.732 21.111 19.000 0.632 0.000 1.175 32 A HN 0.681 8.975 8.150 0.239 0.000 0.512 33 I N 3.962 124.522 120.570 -0.018 0.000 2.354 33 I HA 0.669 5.181 4.170 0.275 -0.178 0.292 33 I C -1.072 174.968 176.117 -0.130 0.000 0.989 33 I CA -1.089 60.236 61.300 0.041 0.000 1.188 33 I CB 1.421 39.415 38.000 -0.010 0.000 1.342 33 I HN 0.059 8.160 8.210 -0.182 0.000 0.457 34 Y N 5.033 125.470 120.300 0.227 0.000 2.633 34 Y HA 0.688 5.427 4.550 0.147 -0.101 0.339 34 Y C -1.416 174.614 175.900 0.216 0.000 1.045 34 Y CA -2.063 56.169 58.100 0.219 0.000 1.098 34 Y CB 4.610 43.236 38.460 0.277 0.000 1.296 34 Y HN 0.986 9.613 8.280 0.579 0.000 0.494 35 R N -0.732 119.933 120.500 0.274 0.000 2.686 35 R HA 0.720 5.176 4.340 -0.071 -0.159 0.286 35 R C -1.315 175.001 176.300 0.026 0.000 0.969 35 R CA -1.897 54.207 56.100 0.007 0.000 0.898 35 R CB 4.676 34.884 30.300 -0.154 0.000 1.183 35 R HN 0.873 9.322 8.270 0.299 0.000 0.456 36 R N 4.995 125.471 120.500 -0.040 0.000 2.357 36 R HA 0.165 4.519 4.340 0.023 0.000 0.296 36 R C -0.777 175.502 176.300 -0.034 0.000 1.052 36 R CA -0.266 55.827 56.100 -0.013 0.000 0.988 36 R CB 0.737 31.026 30.300 -0.018 0.000 1.025 36 R HN 0.663 8.865 8.270 -0.114 0.000 0.469 37 S N 0.255 115.962 115.700 0.011 0.000 3.576 37 S HA -0.351 4.129 4.470 0.018 0.000 0.486 37 S C -0.773 173.849 174.600 0.036 0.000 1.157 37 S CA 0.943 59.157 58.200 0.022 0.000 0.873 37 S CB 0.271 63.486 63.200 0.026 0.000 0.920 37 S HN 0.143 8.459 8.310 0.010 0.000 0.394 38 V N 3.232 123.178 119.914 0.054 0.000 2.495 38 V HA 0.579 4.970 4.120 0.092 -0.216 0.298 38 V C 0.110 176.306 176.094 0.170 0.000 1.031 38 V CA -0.581 61.778 62.300 0.099 0.000 0.871 38 V CB 2.382 34.244 31.823 0.065 0.000 0.988 38 V HN 0.000 8.217 8.190 0.044 0.000 0.432 39 T N 2.954 117.643 114.554 0.225 0.000 2.924 39 T HA 0.265 4.778 4.350 0.272 0.000 0.291 39 T C -1.712 173.220 174.700 0.387 0.000 1.045 39 T CA -2.098 60.161 62.100 0.266 0.000 1.015 39 T CB 2.350 71.313 68.868 0.159 0.000 1.103 39 T HN 0.394 8.753 8.240 0.198 0.000 0.496 40 Y N 3.073 123.504 120.300 0.218 0.000 2.336 40 Y HA -0.101 4.284 4.550 -0.275 0.000 0.331 40 Y C -1.351 174.598 175.900 0.081 0.000 1.211 40 Y CA 1.162 59.259 58.100 -0.006 0.000 1.346 40 Y CB 1.008 39.454 38.460 -0.024 0.000 1.271 40 Y HN 0.208 8.750 8.280 0.437 0.000 0.538 41 V N 5.272 124.819 119.914 -0.613 0.000 3.240 41 V HA 0.011 4.044 4.120 -0.145 0.000 0.218 41 V C -1.303 174.405 176.094 -0.642 0.000 1.190 41 V CA 0.722 62.786 62.300 -0.393 0.000 1.280 41 V CB 2.122 33.834 31.823 -0.185 0.000 1.244 41 V HN 0.547 8.072 8.190 -1.109 0.000 0.512 42 c N -4.965 113.135 118.600 -0.832 0.000 3.340 42 c HA 0.169 4.489 4.570 -0.415 0.000 0.333 42 c C -1.751 172.087 174.090 -0.421 0.000 1.464 42 c CA -0.715 55.282 56.329 -0.553 0.000 1.337 42 c CB 3.934 46.182 42.510 -0.436 0.000 1.740 42 c HN -0.722 7.025 8.230 -0.804 0.000 0.450 43 G N -1.412 107.340 108.800 -0.079 0.000 2.552 43 G HA2 0.785 4.783 3.960 -0.132 0.000 0.318 43 G HA3 0.785 4.882 3.960 0.227 0.000 0.318 43 G C -2.422 172.378 174.900 -0.166 0.000 1.240 43 G CA -1.422 43.654 45.100 -0.041 0.000 1.002 43 G HN 0.492 8.753 8.290 -0.048 0.000 0.493 44 G N -3.827 104.780 108.800 -0.321 0.000 2.495 44 G HA2 0.549 4.761 3.960 -0.036 0.000 0.294 44 G HA3 0.549 4.445 3.960 -0.108 0.000 0.294 44 G C -2.854 171.983 174.900 -0.105 0.000 1.397 44 G CA 0.377 45.399 45.100 -0.131 0.000 0.790 44 G HN -0.527 7.301 8.290 -0.770 0.000 0.486 45 S N -0.909 114.800 115.700 0.015 0.000 2.541 45 S HA 0.945 5.739 4.470 0.161 -0.227 0.280 45 S C -1.424 173.232 174.600 0.093 0.000 1.112 45 S CA -0.896 57.371 58.200 0.112 0.000 0.925 45 S CB 4.353 67.639 63.200 0.144 0.000 1.067 45 S HN 0.493 8.814 8.310 0.019 0.000 0.479 46 L N 4.451 125.759 121.223 0.141 0.000 2.313 46 L HA 0.181 4.691 4.340 0.059 -0.134 0.282 46 L C -0.976 175.955 176.870 0.101 0.000 1.092 46 L CA 0.090 54.992 54.840 0.103 0.000 0.831 46 L CB 0.710 42.839 42.059 0.117 0.000 1.159 46 L HN 0.337 8.705 8.230 0.230 0.000 0.442 47 M N 5.844 125.495 119.600 0.085 0.000 2.556 47 M HA 0.102 4.600 4.480 0.030 0.000 0.264 47 M C 0.088 176.428 176.300 0.066 0.000 1.163 47 M CA 2.308 57.643 55.300 0.059 0.000 1.186 47 M CB 1.592 34.221 32.600 0.049 0.000 1.321 47 M HN 0.554 8.903 8.290 0.098 0.000 0.485 48 S N -4.144 111.619 115.700 0.105 0.000 2.671 48 S HA 0.445 4.962 4.470 0.077 0.000 0.277 48 S C -1.684 172.968 174.600 0.086 0.000 1.165 48 S CA -2.066 56.199 58.200 0.108 0.000 0.822 48 S CB 1.039 64.330 63.200 0.152 0.000 1.150 48 S HN -0.813 7.578 8.310 0.135 0.000 0.479 49 P HA -0.229 4.189 4.420 -0.003 0.000 0.216 49 P C -0.067 177.174 177.300 -0.097 0.000 1.154 49 P CA 2.633 65.732 63.100 -0.001 0.000 0.865 49 P CB 0.096 31.807 31.700 0.018 0.000 0.789 50 c N -8.364 110.184 118.600 -0.088 0.000 3.038 50 c HA 0.281 4.632 4.570 -0.366 0.000 0.279 50 c C -1.021 172.794 174.090 -0.459 0.000 1.276 50 c CA -0.816 55.323 56.329 -0.317 0.000 1.697 50 c CB -0.807 41.469 42.510 -0.390 0.000 2.032 50 c HN 0.141 8.376 8.230 0.035 0.016 0.636 51 W N -1.407 119.817 121.300 -0.127 0.000 2.702 51 W HA 0.490 5.238 4.660 -0.135 -0.169 0.331 51 W C -1.587 174.866 176.519 -0.110 0.000 1.049 51 W CA -1.065 56.209 57.345 -0.119 0.000 1.230 51 W CB 2.888 32.292 29.460 -0.093 0.000 1.408 51 W HN -0.420 7.730 8.180 0.144 0.116 0.492 52 V N 2.017 122.006 119.914 0.126 0.000 2.715 52 V HA 0.797 5.138 4.120 0.057 -0.187 0.310 52 V C -1.887 174.256 176.094 0.081 0.000 1.054 52 V CA -1.663 60.667 62.300 0.049 0.000 0.928 52 V CB 3.894 35.692 31.823 -0.042 0.000 1.007 52 V HN 0.783 9.044 8.190 0.118 0.000 0.437 53 I N 5.369 125.976 120.570 0.062 0.000 2.569 53 I HA 0.871 5.256 4.170 0.076 -0.168 0.296 53 I C -2.212 173.930 176.117 0.041 0.000 1.028 53 I CA -2.548 58.791 61.300 0.065 0.000 1.082 53 I CB 2.952 40.994 38.000 0.071 0.000 1.264 53 I HN 0.639 8.880 8.210 0.053 0.000 0.429 54 S N 6.453 122.178 115.700 0.042 0.000 3.341 54 S HA 0.545 5.225 4.470 0.015 -0.201 0.326 54 S C -2.079 172.521 174.600 0.001 0.000 1.178 54 S CA -1.821 56.400 58.200 0.034 0.000 1.002 54 S CB 2.160 65.424 63.200 0.106 0.000 1.385 54 S HN 0.644 8.880 8.310 0.052 0.105 0.710 55 A N -1.187 121.604 122.820 -0.048 0.000 2.350 55 A HA 0.544 4.929 4.320 -0.134 -0.145 0.324 55 A C 0.569 178.058 177.584 -0.159 0.000 1.118 55 A CA -1.516 50.423 52.037 -0.163 0.000 0.783 55 A CB 2.091 20.901 19.000 -0.316 0.000 1.236 55 A HN 0.241 8.359 8.150 -0.053 0.000 0.457 56 T N 5.758 120.191 114.554 -0.201 0.000 2.777 56 T HA -0.353 4.008 4.350 0.019 0.000 0.266 56 T C 1.192 175.624 174.700 -0.446 0.000 1.040 56 T CA 4.874 66.823 62.100 -0.252 0.000 1.141 56 T CB -0.090 68.534 68.868 -0.408 0.000 0.868 56 T HN 0.434 8.566 8.240 -0.205 -0.014 0.444 57 H N -0.684 118.032 119.070 -0.591 0.000 2.518 57 H HA -0.276 3.962 4.556 -0.531 0.000 0.292 57 H C 0.796 175.888 175.328 -0.393 0.000 1.068 57 H CA 2.661 58.402 56.048 -0.510 0.000 1.275 57 H CB -0.758 28.639 29.762 -0.608 0.000 1.375 57 H HN 0.091 8.474 8.280 -0.460 -0.380 0.563 58 c N -1.843 116.304 118.600 -0.755 0.000 2.464 58 c HA -0.165 4.056 4.570 -0.582 0.000 0.278 58 c C -0.106 173.387 174.090 -0.996 0.000 1.375 58 c CA 1.960 57.743 56.329 -0.910 0.000 1.761 58 c CB -1.453 40.306 42.510 -1.252 0.000 1.944 58 c HN -0.806 6.895 8.230 -0.792 0.053 0.509 59 F N -1.622 118.192 119.950 -0.226 0.000 2.457 59 F HA 0.395 4.879 4.527 -0.071 0.000 0.330 59 F C -0.862 174.903 175.800 -0.058 0.000 1.069 59 F CA -2.425 55.483 58.000 -0.153 0.000 1.009 59 F CB 0.583 39.428 39.000 -0.259 0.000 1.276 59 F HN -0.529 7.298 8.300 -0.564 0.135 0.492 60 P HA 0.330 4.920 4.420 0.282 0.000 0.439 60 P C -1.552 175.871 177.300 0.205 0.000 1.315 60 P CA -0.221 63.010 63.100 0.220 0.000 1.657 60 P CB 0.378 32.156 31.700 0.130 0.000 2.142 61 K N 0.803 121.360 120.400 0.262 0.000 2.168 61 K HA 0.252 4.644 4.320 0.121 0.000 0.239 61 K C 0.865 177.612 176.600 0.244 0.000 0.999 61 K CA -1.298 55.090 56.287 0.168 0.000 0.900 61 K CB 0.961 33.510 32.500 0.081 0.000 1.111 61 K HN -0.340 8.111 8.250 0.336 0.000 0.452 62 E N -1.726 118.534 120.200 0.100 0.000 3.520 62 E HA -0.386 3.992 4.350 0.048 0.000 0.263 62 E C 1.647 178.266 176.600 0.031 0.000 0.708 62 E CA 2.745 59.177 56.400 0.052 0.000 0.884 62 E CB -0.301 29.414 29.700 0.024 0.000 1.469 62 E HN 0.821 9.232 8.360 0.085 0.000 0.446 63 D N -2.644 117.754 120.400 -0.003 0.000 2.349 63 D HA 0.122 4.719 4.640 -0.072 0.000 0.214 63 D C -1.481 174.703 176.300 -0.193 0.000 1.063 63 D CA -0.058 53.864 54.000 -0.131 0.000 0.847 63 D CB 0.767 41.422 40.800 -0.241 0.000 0.933 63 D HN 0.195 8.477 8.370 0.038 0.110 0.513 64 Y N -1.900 118.443 120.300 0.072 0.000 2.457 64 Y HA 0.530 5.326 4.550 0.135 -0.165 0.333 64 Y C -0.691 175.261 175.900 0.088 0.000 1.119 64 Y CA -0.361 57.804 58.100 0.109 0.000 1.143 64 Y CB 2.719 41.261 38.460 0.137 0.000 1.230 64 Y HN -0.488 7.761 8.280 0.219 0.162 0.469 65 I N -0.823 119.926 120.570 0.298 0.000 2.608 65 I HA 0.434 4.795 4.170 0.089 -0.138 0.295 65 I C -1.521 174.748 176.117 0.253 0.000 1.049 65 I CA -2.549 58.850 61.300 0.166 0.000 1.063 65 I CB 3.327 41.381 38.000 0.090 0.000 1.248 65 I HN 0.664 9.006 8.210 0.395 0.104 0.424 66 V N 5.682 125.673 119.914 0.128 0.000 2.604 66 V HA 0.650 5.183 4.120 0.346 -0.205 0.305 66 V C -1.579 174.611 176.094 0.160 0.000 1.043 66 V CA -1.664 60.770 62.300 0.223 0.000 0.888 66 V CB 2.820 34.735 31.823 0.154 0.000 0.995 66 V HN 0.274 8.482 8.190 0.030 0.000 0.429 67 Y N 4.572 125.086 120.300 0.357 0.000 2.446 67 Y HA 0.837 5.781 4.550 0.283 -0.223 0.345 67 Y C -0.992 175.091 175.900 0.305 0.000 0.984 67 Y CA -1.930 56.359 58.100 0.315 0.000 1.058 67 Y CB 4.202 42.840 38.460 0.297 0.000 1.220 67 Y HN 0.803 9.425 8.280 0.570 0.000 0.455 68 L N -1.060 120.434 121.223 0.452 0.000 2.341 68 L HA 0.540 5.056 4.340 0.294 0.000 0.267 68 L C 0.636 177.683 176.870 0.294 0.000 1.009 68 L CA -1.487 53.554 54.840 0.335 0.000 0.819 68 L CB 3.844 46.095 42.059 0.321 0.000 1.323 68 L HN 0.568 9.070 8.230 0.453 0.000 0.425 69 G N -1.157 107.780 108.800 0.229 0.000 2.246 69 G HA2 -0.452 3.732 3.960 0.126 0.000 0.273 69 G HA3 -0.452 3.599 3.960 0.152 0.000 0.273 69 G C -1.513 173.498 174.900 0.185 0.000 1.055 69 G CA 0.333 45.534 45.100 0.169 0.000 0.851 69 G HN 0.524 8.943 8.290 0.215 0.000 0.500 70 R N -1.680 118.971 120.500 0.252 0.000 2.310 70 R HA 0.086 4.533 4.340 0.179 0.000 0.324 70 R C -1.548 174.928 176.300 0.295 0.000 0.955 70 R CA -0.806 55.453 56.100 0.265 0.000 0.830 70 R CB 1.245 31.755 30.300 0.351 0.000 1.154 70 R HN -0.227 8.223 8.270 0.301 0.000 0.458 71 S N 3.628 119.451 115.700 0.205 0.000 2.492 71 S HA 0.001 4.544 4.470 0.121 0.000 0.218 71 S C -0.458 174.328 174.600 0.309 0.000 1.016 71 S CA 1.516 59.820 58.200 0.173 0.000 0.916 71 S CB 1.362 64.603 63.200 0.069 0.000 0.791 71 S HN 0.459 8.856 8.310 0.146 0.000 0.513 72 R N -0.907 119.748 120.500 0.260 0.000 2.832 72 R HA 0.617 5.325 4.340 0.284 -0.198 0.271 72 R C -0.377 175.857 176.300 -0.110 0.000 0.996 72 R CA -1.290 54.900 56.100 0.150 0.000 0.977 72 R CB 2.909 33.220 30.300 0.019 0.000 1.168 72 R HN -1.021 7.359 8.270 0.184 0.000 0.482 73 L N 0.835 121.798 121.223 -0.434 0.000 2.068 73 L HA -0.080 3.619 4.340 -1.069 0.000 0.204 73 L C 0.724 177.458 176.870 -0.227 0.000 1.076 73 L CA 2.102 56.524 54.840 -0.698 0.000 0.753 73 L CB 1.184 42.770 42.059 -0.788 0.000 0.910 73 L HN 0.521 8.493 8.230 -0.246 0.110 0.439 74 N N -2.904 115.697 118.700 -0.165 0.000 2.291 74 N HA 0.079 4.723 4.740 -0.160 0.000 0.244 74 N C -1.000 174.431 175.510 -0.133 0.000 1.216 74 N CA 0.311 53.284 53.050 -0.127 0.000 0.879 74 N CB 1.302 39.747 38.487 -0.069 0.000 1.167 74 N HN -0.111 8.481 8.380 -0.165 -0.311 0.515 75 S N 0.379 115.999 115.700 -0.132 0.000 2.548 75 S HA 0.304 4.712 4.470 -0.103 0.000 0.286 75 S C -1.345 173.186 174.600 -0.115 0.000 1.098 75 S CA -1.279 56.859 58.200 -0.103 0.000 0.930 75 S CB 2.383 65.540 63.200 -0.071 0.000 1.070 75 S HN -0.409 7.818 8.310 -0.137 0.000 0.480 76 N N 2.146 120.786 118.700 -0.101 0.000 2.424 76 N HA -0.017 4.772 4.740 -0.136 -0.130 0.257 76 N C -0.633 174.853 175.510 -0.040 0.000 1.250 76 N CA 0.307 53.303 53.050 -0.089 0.000 0.946 76 N CB 1.099 39.546 38.487 -0.066 0.000 1.175 76 N HN 0.166 8.494 8.380 -0.086 0.000 0.477 77 T N 1.173 115.718 114.554 -0.015 0.000 2.863 77 T HA 0.202 4.556 4.350 0.007 0.000 0.285 77 T C -1.272 173.441 174.700 0.021 0.000 1.009 77 T CA -0.554 61.555 62.100 0.015 0.000 0.989 77 T CB 2.089 70.984 68.868 0.046 0.000 1.004 77 T HN 0.083 8.642 8.240 -0.019 -0.330 0.455 78 Q N 5.259 125.070 119.800 0.017 0.000 2.314 78 Q HA -0.094 4.257 4.340 0.018 0.000 0.258 78 Q C 0.863 176.883 176.000 0.032 0.000 0.954 78 Q CA 1.099 56.913 55.803 0.019 0.000 0.890 78 Q CB 0.361 29.106 28.738 0.011 0.000 1.210 78 Q HN 0.328 8.606 8.270 0.013 0.000 0.410 79 G N 4.417 113.240 108.800 0.038 0.000 2.195 79 G HA2 -0.290 3.695 3.960 0.041 0.000 0.224 79 G HA3 -0.290 3.698 3.960 0.047 0.000 0.224 79 G C -0.873 174.072 174.900 0.075 0.000 0.990 79 G CA -0.464 44.665 45.100 0.049 0.000 0.639 79 G HN 0.357 8.666 8.290 0.032 0.000 0.514 80 E N 0.191 120.445 120.200 0.089 0.000 2.408 80 E HA 0.103 4.705 4.350 0.168 -0.152 0.259 80 E C -0.648 176.030 176.600 0.129 0.000 1.110 80 E CA -0.318 56.171 56.400 0.148 0.000 0.929 80 E CB 0.796 30.605 29.700 0.182 0.000 0.971 80 E HN -0.709 7.633 8.360 0.072 0.061 0.438 81 M N 1.087 120.781 119.600 0.157 0.000 2.464 81 M HA 0.287 4.692 4.480 -0.124 0.000 0.308 81 M C -1.811 174.378 176.300 -0.185 0.000 1.127 81 M CA -0.588 54.679 55.300 -0.056 0.000 0.913 81 M CB 4.656 37.257 32.600 0.001 0.000 1.689 81 M HN 0.302 8.740 8.290 0.248 0.000 0.445 82 K N 3.170 123.238 120.400 -0.554 0.000 2.221 82 K HA 0.736 4.722 4.320 -0.834 -0.165 0.258 82 K C -1.531 174.527 176.600 -0.902 0.000 0.944 82 K CA -1.023 54.820 56.287 -0.740 0.000 0.823 82 K CB 2.471 34.600 32.500 -0.619 0.000 1.113 82 K HN 0.334 8.249 8.250 -0.558 0.000 0.431 83 F N 2.732 122.522 119.950 -0.267 0.000 2.629 83 F HA 0.453 4.999 4.527 -0.134 -0.099 0.316 83 F C -1.157 174.559 175.800 -0.139 0.000 1.081 83 F CA -1.188 56.717 58.000 -0.158 0.000 0.954 83 F CB 4.572 43.501 39.000 -0.118 0.000 1.337 83 F HN 0.681 8.834 8.300 -0.245 0.000 0.474 84 E N -1.641 118.624 120.200 0.108 0.000 2.249 84 E HA 0.461 4.835 4.350 0.040 0.000 0.263 84 E C -1.023 175.593 176.600 0.028 0.000 0.950 84 E CA -1.898 54.526 56.400 0.041 0.000 0.827 84 E CB 3.802 33.507 29.700 0.008 0.000 1.220 84 E HN 0.763 9.111 8.360 0.158 0.107 0.411 85 V N 1.403 121.320 119.914 0.005 0.000 2.348 85 V HA 0.069 4.269 4.120 -0.111 -0.147 0.270 85 V C -0.729 175.319 176.094 -0.078 0.000 1.037 85 V CA 0.067 62.329 62.300 -0.063 0.000 0.872 85 V CB -0.579 31.213 31.823 -0.051 0.000 1.002 85 V HN 0.686 8.896 8.190 0.033 0.000 0.464 86 E N 7.652 127.773 120.200 -0.131 0.000 2.112 86 E HA -0.283 4.020 4.350 -0.078 0.000 0.190 86 E C -1.205 175.319 176.600 -0.126 0.000 0.979 86 E CA 2.214 58.539 56.400 -0.124 0.000 0.814 86 E CB 1.330 30.930 29.700 -0.166 0.000 0.762 86 E HN 0.613 8.769 8.360 -0.177 0.098 0.460 87 N N -3.837 114.755 118.700 -0.180 0.000 2.264 87 N HA 0.178 4.871 4.740 -0.079 0.000 0.288 87 N C -2.377 173.046 175.510 -0.145 0.000 1.094 87 N CA -0.385 52.587 53.050 -0.129 0.000 0.817 87 N CB 3.691 42.118 38.487 -0.100 0.000 1.604 87 N HN -0.668 7.567 8.380 -0.243 0.000 0.473 88 L N 3.120 124.275 121.223 -0.113 0.000 2.404 88 L HA 0.608 4.933 4.340 -0.262 -0.141 0.272 88 L C -1.284 175.525 176.870 -0.103 0.000 0.980 88 L CA -0.576 54.147 54.840 -0.195 0.000 0.836 88 L CB 2.419 44.334 42.059 -0.239 0.000 1.238 88 L HN 0.347 8.535 8.230 -0.069 0.000 0.408 89 I N 8.164 128.685 120.570 -0.081 0.000 2.382 89 I HA 0.286 4.457 4.170 0.001 0.000 0.286 89 I C -1.492 174.654 176.117 0.050 0.000 1.002 89 I CA -0.836 60.453 61.300 -0.018 0.000 1.135 89 I CB 1.626 39.568 38.000 -0.097 0.000 1.288 89 I HN 0.931 9.074 8.210 -0.112 0.000 0.448 90 L N 5.284 126.555 121.223 0.080 0.000 2.358 90 L HA 0.392 4.784 4.340 0.088 0.000 0.268 90 L C -1.088 175.912 176.870 0.216 0.000 1.032 90 L CA -1.793 53.108 54.840 0.103 0.000 0.805 90 L CB 2.180 44.263 42.059 0.041 0.000 1.253 90 L HN 0.420 8.688 8.230 0.063 0.000 0.452 91 H N 1.223 120.310 119.070 0.028 0.000 2.646 91 H HA -0.017 4.589 4.556 0.083 0.000 0.325 91 H C -0.401 174.976 175.328 0.082 0.000 1.075 91 H CA 0.437 56.454 56.048 -0.053 0.000 1.421 91 H CB 1.582 31.121 29.762 -0.372 0.000 1.461 91 H HN -0.049 8.289 8.280 0.097 0.000 0.525 92 K N 7.526 127.885 120.400 -0.068 0.000 2.276 92 K HA 0.001 4.388 4.320 0.113 0.000 0.283 92 K C -1.481 175.178 176.600 0.099 0.000 1.044 92 K CA 0.347 56.662 56.287 0.046 0.000 0.944 92 K CB -0.485 32.038 32.500 0.039 0.000 1.012 92 K HN 0.359 8.434 8.250 -0.292 0.000 0.472 93 D N -4.840 115.661 120.400 0.168 0.000 2.895 93 D HA -0.342 4.364 4.640 0.111 0.000 0.197 93 D C -1.881 174.543 176.300 0.207 0.000 0.971 93 D CA 0.927 55.035 54.000 0.181 0.000 0.997 93 D CB -2.528 38.408 40.800 0.226 0.000 1.049 93 D HN 0.344 8.805 8.370 0.152 0.000 0.450 94 Y N 0.883 121.268 120.300 0.142 0.000 2.526 94 Y HA -0.242 4.564 4.550 0.102 -0.195 0.330 94 Y C -0.750 175.214 175.900 0.108 0.000 1.156 94 Y CA 1.162 59.329 58.100 0.113 0.000 1.419 94 Y CB 0.437 38.954 38.460 0.094 0.000 1.250 94 Y HN -0.740 7.688 8.280 0.332 0.051 0.540 95 S N 7.344 122.595 115.700 -0.747 0.000 2.595 95 S HA 0.289 4.451 4.470 -0.513 0.000 0.281 95 S C -1.889 172.340 174.600 -0.618 0.000 1.117 95 S CA -0.977 56.888 58.200 -0.559 0.000 0.873 95 S CB 3.966 67.025 63.200 -0.235 0.000 1.108 95 S HN -0.084 7.875 8.310 -0.584 0.000 0.477 96 A N 0.999 123.591 122.820 -0.380 0.000 2.527 96 A HA 0.812 5.092 4.320 -0.396 -0.198 0.293 96 A C 0.751 178.189 177.584 -0.244 0.000 1.117 96 A CA -1.487 50.362 52.037 -0.314 0.000 0.723 96 A CB 1.748 20.661 19.000 -0.144 0.000 1.313 96 A HN 0.259 8.238 8.150 -0.284 0.000 0.411 97 L N 0.098 121.051 121.223 -0.450 0.000 2.403 97 L HA -0.472 3.613 4.340 -0.424 0.000 0.237 97 L C 0.060 176.140 176.870 -1.317 0.000 1.138 97 L CA 2.370 56.826 54.840 -0.641 0.000 0.841 97 L CB -0.013 41.705 42.059 -0.569 0.000 0.979 97 L HN 0.611 8.544 8.230 -0.495 0.000 0.435 98 A N -4.650 117.191 122.820 -1.632 0.000 2.304 98 A HA 0.071 1.946 4.320 -4.076 0.000 0.271 98 A C -1.581 175.168 177.584 -1.392 0.000 1.091 98 A CA -0.790 49.881 52.037 -2.277 0.000 0.812 98 A CB 1.659 19.689 19.000 -1.616 0.000 1.056 98 A HN -0.300 7.178 8.150 -1.121 0.000 0.489 99 H N -0.952 117.543 119.070 -0.957 0.000 2.538 99 H HA 0.726 5.224 4.556 -0.393 -0.177 0.353 99 H C -0.571 174.526 175.328 -0.385 0.000 1.109 99 H CA -1.259 54.557 56.048 -0.385 0.000 1.192 99 H CB 2.794 32.578 29.762 0.036 0.000 1.555 99 H HN 0.182 7.745 8.280 -1.196 0.000 0.518 100 H N 2.078 121.108 119.070 -0.066 0.000 2.529 100 H HA 0.286 4.893 4.556 0.085 0.000 0.348 100 H C 0.068 175.423 175.328 0.045 0.000 1.152 100 H CA -0.886 55.163 56.048 0.002 0.000 1.202 100 H CB 3.465 33.185 29.762 -0.069 0.000 1.562 100 H HN 0.774 8.865 8.280 -0.133 0.109 0.515 101 N N -0.714 118.067 118.700 0.134 0.000 2.714 101 N HA -0.366 4.181 4.740 -0.322 0.000 0.252 101 N C -1.273 174.101 175.510 -0.226 0.000 1.014 101 N CA 1.083 54.015 53.050 -0.197 0.000 0.735 101 N CB -0.854 37.506 38.487 -0.211 0.000 0.924 101 N HN 0.616 9.129 8.380 0.221 0.000 0.540 102 D N -1.273 119.068 120.400 -0.098 0.000 2.619 102 D HA 0.028 4.720 4.640 0.088 0.000 0.224 102 D C -1.914 174.233 176.300 -0.255 0.000 1.133 102 D CA -0.326 53.663 54.000 -0.019 0.000 1.017 102 D CB -0.805 40.104 40.800 0.182 0.000 1.077 102 D HN 0.086 8.419 8.370 -0.057 0.002 0.503 103 I N 0.739 121.061 120.570 -0.414 0.000 2.686 103 I HA 0.652 4.850 4.170 -0.233 -0.168 0.295 103 I C -2.768 173.248 176.117 -0.168 0.000 1.114 103 I CA -2.129 58.944 61.300 -0.378 0.000 1.038 103 I CB 3.945 41.487 38.000 -0.762 0.000 1.238 103 I HN -0.459 7.440 8.210 -0.444 0.045 0.420 104 A N 6.876 129.712 122.820 0.028 0.000 2.556 104 A HA 0.919 5.524 4.320 0.278 -0.118 0.294 104 A C -2.410 175.254 177.584 0.132 0.000 1.091 104 A CA -1.792 50.323 52.037 0.129 0.000 0.704 104 A CB 4.164 23.177 19.000 0.022 0.000 1.300 104 A HN 0.690 8.753 8.150 0.014 0.095 0.406 105 L N -0.764 120.514 121.223 0.091 0.000 2.362 105 L HA 0.910 5.497 4.340 0.108 -0.183 0.271 105 L C -1.550 175.336 176.870 0.026 0.000 1.002 105 L CA -1.472 53.424 54.840 0.094 0.000 0.818 105 L CB 4.096 46.194 42.059 0.066 0.000 1.298 105 L HN 0.463 8.741 8.230 0.080 0.000 0.420 106 L N 1.576 122.815 121.223 0.027 0.000 2.372 106 L HA 0.639 5.047 4.340 -0.207 -0.192 0.274 106 L C -1.637 175.083 176.870 -0.249 0.000 0.988 106 L CA -0.785 53.957 54.840 -0.162 0.000 0.833 106 L CB 2.820 44.734 42.059 -0.242 0.000 1.236 106 L HN 0.871 9.171 8.230 0.116 0.000 0.410 107 K N 5.213 125.310 120.400 -0.504 0.000 2.227 107 K HA 0.755 4.555 4.320 -1.199 -0.200 0.280 107 K C -0.824 175.460 176.600 -0.526 0.000 1.041 107 K CA -1.227 54.480 56.287 -0.966 0.000 0.905 107 K CB 2.133 33.864 32.500 -1.281 0.000 1.068 107 K HN 0.671 8.577 8.250 -0.384 0.114 0.470 108 I N 1.267 121.542 120.570 -0.491 0.000 2.577 108 I HA 1.051 5.311 4.170 -0.198 -0.208 0.305 108 I C -1.179 174.823 176.117 -0.190 0.000 0.986 108 I CA -2.466 58.646 61.300 -0.314 0.000 1.189 108 I CB 2.611 40.307 38.000 -0.507 0.000 1.355 108 I HN 0.509 8.361 8.210 -0.596 0.000 0.476 109 R N 3.153 123.671 120.500 0.031 0.000 2.725 109 R HA 0.471 4.858 4.340 0.078 0.000 0.277 109 R C -0.367 176.079 176.300 0.242 0.000 0.987 109 R CA -1.934 54.224 56.100 0.096 0.000 0.901 109 R CB 4.173 34.468 30.300 -0.008 0.000 1.207 109 R HN 0.369 8.690 8.270 0.086 0.000 0.463 110 R N 1.167 121.697 120.500 0.049 0.000 2.212 110 R HA -0.337 4.028 4.340 0.042 0.000 0.323 110 R C -1.066 175.327 176.300 0.155 0.000 0.986 110 R CA 1.437 57.582 56.100 0.075 0.000 1.031 110 R CB -0.366 29.977 30.300 0.070 0.000 0.772 110 R HN 0.394 8.695 8.270 0.052 0.000 0.427 111 c N -0.974 117.687 118.600 0.101 0.000 2.576 111 c HA 0.108 4.661 4.570 -0.029 0.000 0.394 111 c C 0.442 174.611 174.090 0.132 0.000 1.876 111 c CA -1.488 54.858 56.329 0.027 0.000 1.858 111 c CB 1.366 43.834 42.510 -0.071 0.000 1.943 111 c HN 0.132 8.401 8.230 0.064 0.000 0.479 112 A N 0.227 123.016 122.820 -0.052 0.000 2.445 112 A HA -0.065 4.495 4.320 0.400 0.000 0.242 112 A C -0.852 176.800 177.584 0.114 0.000 1.075 112 A CA 0.529 52.631 52.037 0.108 0.000 0.777 112 A CB 0.866 19.849 19.000 -0.029 0.000 1.013 112 A HN 0.343 8.258 8.150 -0.227 0.098 0.493 113 Q N 0.679 120.567 119.800 0.147 0.000 2.309 113 Q HA 0.375 4.763 4.340 0.081 0.000 0.264 113 Q C -2.382 173.673 176.000 0.093 0.000 1.008 113 Q CA -3.347 52.516 55.803 0.100 0.000 0.853 113 Q CB 0.698 29.491 28.738 0.092 0.000 1.314 113 Q HN -0.159 8.232 8.270 0.203 0.000 0.448 114 P HA -0.027 4.574 4.420 0.080 -0.133 0.271 114 P C -1.108 176.230 177.300 0.063 0.000 1.226 114 P CA -0.030 63.112 63.100 0.071 0.000 0.765 114 P CB 0.589 32.326 31.700 0.062 0.000 0.835 115 S N 5.219 120.957 115.700 0.062 0.000 2.880 115 S HA 0.438 4.935 4.470 0.044 0.000 0.308 115 S C -0.584 174.039 174.600 0.039 0.000 1.195 115 S CA -1.223 57.007 58.200 0.049 0.000 0.866 115 S CB 2.414 65.646 63.200 0.054 0.000 1.254 115 S HN 0.035 8.386 8.310 0.069 0.000 0.571 116 R N -2.534 117.982 120.500 0.028 0.000 2.276 116 R HA 0.091 4.440 4.340 0.014 0.000 0.196 116 R C 0.159 176.458 176.300 -0.002 0.000 0.961 116 R CA 1.601 57.709 56.100 0.013 0.000 1.024 116 R CB 0.166 30.472 30.300 0.009 0.000 0.940 116 R HN 0.338 8.626 8.270 0.029 0.000 0.480 117 T N -4.014 110.547 114.554 0.013 0.000 3.040 117 T HA 0.215 4.546 4.350 -0.031 0.000 0.266 117 T C -0.894 173.819 174.700 0.022 0.000 1.005 117 T CA 0.021 62.123 62.100 0.005 0.000 0.906 117 T CB 1.409 70.294 68.868 0.029 0.000 1.082 117 T HN -0.319 7.891 8.240 0.030 0.048 0.531 118 I N 1.960 122.558 120.570 0.045 0.000 2.478 118 I HA 0.561 4.988 4.170 0.078 -0.211 0.287 118 I C -2.614 173.558 176.117 0.091 0.000 1.042 118 I CA -0.878 60.470 61.300 0.080 0.000 1.067 118 I CB 2.640 40.709 38.000 0.114 0.000 1.233 118 I HN -0.386 7.736 8.210 0.045 0.114 0.431 119 Q N 7.229 127.107 119.800 0.130 0.000 2.511 119 Q HA 0.406 4.841 4.340 0.158 0.000 0.289 119 Q C -2.455 173.731 176.000 0.310 0.000 1.021 119 Q CA -1.632 54.294 55.803 0.204 0.000 0.785 119 Q CB 4.805 33.682 28.738 0.232 0.000 1.472 119 Q HN 0.525 8.771 8.270 0.132 0.103 0.411 120 T N -1.106 113.611 114.554 0.272 0.000 2.927 120 T HA 0.422 5.043 4.350 0.242 -0.125 0.281 120 T C -0.831 173.985 174.700 0.194 0.000 0.998 120 T CA -2.222 60.011 62.100 0.221 0.000 1.019 120 T CB 1.493 70.429 68.868 0.113 0.000 1.061 120 T HN 0.042 8.413 8.240 0.218 0.000 0.518 121 I N 0.023 120.589 120.570 -0.007 0.000 2.750 121 I HA 0.291 4.129 4.170 -0.553 0.000 0.308 121 I C -1.500 174.485 176.117 -0.219 0.000 1.016 121 I CA -2.097 58.966 61.300 -0.395 0.000 1.098 121 I CB 3.711 41.258 38.000 -0.756 0.000 1.279 121 I HN -0.035 8.193 8.210 0.029 0.000 0.454 122 C N 5.524 124.676 119.300 -0.247 0.000 2.398 122 C HA 0.244 4.650 4.460 -0.090 0.000 0.364 122 C C -0.939 173.980 174.990 -0.118 0.000 1.219 122 C CA -0.119 58.818 59.018 -0.135 0.000 2.312 122 C CB 0.738 28.410 27.740 -0.113 0.000 2.428 122 C HN -0.123 7.895 8.230 -0.353 0.000 0.564 123 L N 1.603 122.783 121.223 -0.072 0.000 2.360 123 L HA 0.355 4.663 4.340 -0.053 0.000 0.271 123 L C -0.837 176.007 176.870 -0.043 0.000 1.057 123 L CA -2.887 51.923 54.840 -0.050 0.000 0.803 123 L CB -0.180 41.859 42.059 -0.032 0.000 1.207 123 L HN 0.217 8.410 8.230 -0.060 0.000 0.445 124 P HA 0.062 4.466 4.420 -0.026 0.000 0.275 124 P C -1.407 175.879 177.300 -0.025 0.000 1.266 124 P CA -0.835 62.252 63.100 -0.022 0.000 0.793 124 P CB 0.959 32.656 31.700 -0.005 0.000 1.074 125 S N -1.502 114.187 115.700 -0.018 0.000 2.687 125 S HA 0.124 4.578 4.470 -0.027 0.000 0.283 125 S C 0.435 175.013 174.600 -0.036 0.000 1.170 125 S CA -0.589 57.599 58.200 -0.020 0.000 1.008 125 S CB 1.677 64.876 63.200 -0.002 0.000 1.026 125 S HN 0.150 8.455 8.310 -0.008 0.000 0.541 126 M N 1.619 121.188 119.600 -0.050 0.000 2.330 126 M HA -0.456 3.827 4.480 -0.328 0.000 0.436 126 M C -0.549 175.744 176.300 -0.012 0.000 1.536 126 M CA 1.289 56.522 55.300 -0.112 0.000 0.842 126 M CB -1.864 30.771 32.600 0.059 0.000 2.060 126 M HN 0.281 8.553 8.290 -0.031 0.000 0.511 127 Y N -2.825 117.424 120.300 -0.085 0.000 3.305 127 Y HA -0.501 4.048 4.550 -0.089 -0.053 0.214 127 Y C -1.109 174.806 175.900 0.025 0.000 1.185 127 Y CA 1.168 59.202 58.100 -0.110 0.000 1.326 127 Y CB -3.078 35.221 38.460 -0.269 0.000 1.367 127 Y HN 0.317 8.000 8.280 -0.867 0.077 0.588 128 N N 0.265 119.034 118.700 0.115 0.000 2.424 128 N HA 0.103 4.910 4.740 0.112 0.000 0.271 128 N C -2.047 173.519 175.510 0.092 0.000 0.985 128 N CA -0.750 52.358 53.050 0.096 0.000 0.921 128 N CB 1.837 40.356 38.487 0.053 0.000 1.149 128 N HN -0.544 7.839 8.380 0.049 0.027 0.492 129 D N 4.987 125.447 120.400 0.100 0.000 2.523 129 D HA 0.455 5.130 4.640 0.059 0.000 0.236 129 D C -2.450 173.880 176.300 0.050 0.000 1.094 129 D CA -2.056 51.992 54.000 0.081 0.000 0.942 129 D CB 2.487 43.358 40.800 0.119 0.000 1.447 129 D HN -0.070 8.365 8.370 0.107 0.000 0.479 130 P HA -0.003 4.414 4.420 -0.004 0.000 0.273 130 P C -1.027 176.284 177.300 0.018 0.000 1.250 130 P CA -0.078 63.021 63.100 -0.001 0.000 0.793 130 P CB 1.012 32.694 31.700 -0.030 0.000 1.011 131 Q N -1.954 117.836 119.800 -0.017 0.000 2.312 131 Q HA 0.181 4.579 4.340 0.096 0.000 0.236 131 Q C 1.141 177.110 176.000 -0.051 0.000 0.965 131 Q CA -1.224 54.573 55.803 -0.010 0.000 0.894 131 Q CB 1.348 30.013 28.738 -0.121 0.000 1.225 131 Q HN 0.298 8.539 8.270 -0.047 0.000 0.478 132 F N -1.536 118.401 119.950 -0.021 0.000 2.553 132 F HA -0.497 3.994 4.527 -0.059 0.000 0.356 132 F C 0.388 176.161 175.800 -0.045 0.000 1.142 132 F CA 0.745 58.718 58.000 -0.044 0.000 1.322 132 F CB -0.021 38.951 39.000 -0.046 0.000 1.126 132 F HN -0.038 8.538 8.300 0.460 0.000 0.599 133 G N 3.132 111.852 108.800 -0.133 0.000 2.349 133 G HA2 -0.361 3.534 3.960 -0.109 0.000 0.213 133 G HA3 -0.361 3.379 3.960 -0.368 0.000 0.213 133 G C -0.789 174.020 174.900 -0.151 0.000 1.044 133 G CA -0.011 44.965 45.100 -0.207 0.000 0.633 133 G HN 0.870 9.051 8.290 0.013 0.117 0.506 134 T N 5.180 119.647 114.554 -0.146 0.000 2.946 134 T HA -0.270 4.014 4.350 -0.110 0.000 0.312 134 T C -0.794 173.850 174.700 -0.094 0.000 1.066 134 T CA 2.244 64.279 62.100 -0.108 0.000 1.138 134 T CB 0.397 69.210 68.868 -0.091 0.000 1.014 134 T HN -0.543 7.517 8.240 -0.165 0.081 0.544 135 S N 4.542 120.191 115.700 -0.085 0.000 2.480 135 S HA 0.655 5.253 4.470 -0.090 -0.182 0.286 135 S C -0.332 174.222 174.600 -0.077 0.000 1.180 135 S CA -0.296 57.855 58.200 -0.081 0.000 1.075 135 S CB 0.905 64.064 63.200 -0.070 0.000 0.996 135 S HN 0.086 8.348 8.310 -0.080 0.000 0.487 136 c N 4.162 122.709 118.600 -0.089 0.000 2.848 136 c HA 0.508 5.101 4.570 -0.066 -0.063 0.317 136 c C -1.513 172.533 174.090 -0.073 0.000 1.260 136 c CA -1.540 54.737 56.329 -0.087 0.000 1.656 136 c CB 4.276 46.708 42.510 -0.130 0.000 2.174 136 c HN 1.078 9.142 8.230 -0.099 0.106 0.479 137 E N -0.576 119.598 120.200 -0.043 0.000 2.207 137 E HA 1.041 5.524 4.350 -0.039 -0.157 0.270 137 E C -0.953 175.644 176.600 -0.006 0.000 0.927 137 E CA -2.307 54.079 56.400 -0.022 0.000 0.799 137 E CB 2.609 32.313 29.700 0.008 0.000 1.172 137 E HN 0.777 9.118 8.360 -0.033 0.000 0.404 138 I N -4.782 115.785 120.570 -0.005 0.000 2.740 138 I HA 1.092 5.518 4.170 0.070 -0.215 0.303 138 I C -1.097 175.010 176.117 -0.017 0.000 1.044 138 I CA -2.595 58.726 61.300 0.035 0.000 1.064 138 I CB 3.451 41.500 38.000 0.081 0.000 1.249 138 I HN 0.441 8.638 8.210 -0.023 0.000 0.433 139 T N 1.339 115.876 114.554 -0.029 0.000 2.883 139 T HA 0.772 5.144 4.350 -0.232 -0.161 0.301 139 T C -1.357 173.151 174.700 -0.320 0.000 1.158 139 T CA -1.969 59.999 62.100 -0.221 0.000 1.007 139 T CB 2.406 71.113 68.868 -0.268 0.000 1.186 139 T HN -0.215 8.057 8.240 0.053 0.000 0.499 140 G N 2.681 111.138 108.800 -0.571 0.000 2.336 140 G HA2 0.149 3.616 3.960 -0.821 0.000 0.300 140 G HA3 0.149 4.175 3.960 -0.127 -0.142 0.300 140 G C -2.104 172.514 174.900 -0.470 0.000 1.375 140 G CA 0.473 45.280 45.100 -0.489 0.000 0.885 140 G HN -0.081 7.844 8.290 -0.609 0.000 0.599 141 F N 0.085 119.919 119.950 -0.194 0.000 2.639 141 F HA 0.270 4.674 4.527 -0.205 0.000 0.300 141 F C 0.727 176.309 175.800 -0.364 0.000 1.109 141 F CA -1.208 56.614 58.000 -0.297 0.000 1.335 141 F CB 0.335 38.991 39.000 -0.573 0.000 1.014 141 F HN 0.511 8.845 8.300 0.056 0.000 0.537 142 G N -0.033 108.689 108.800 -0.130 0.000 2.651 142 G HA2 0.014 3.601 3.960 -0.622 0.000 0.260 142 G HA3 0.014 4.160 3.960 -0.084 -0.237 0.260 142 G C -0.985 173.926 174.900 0.020 0.000 1.216 142 G CA -0.524 44.458 45.100 -0.196 0.000 0.913 142 G HN -0.625 7.770 8.290 -0.072 -0.148 0.535 143 K N -0.686 119.823 120.400 0.182 0.000 2.559 143 K HA -0.343 4.150 4.320 0.288 0.000 0.279 143 K C -0.297 176.369 176.600 0.110 0.000 0.967 143 K CA 1.821 58.241 56.287 0.222 0.000 1.000 143 K CB 0.249 32.882 32.500 0.222 0.000 0.890 143 K HN -0.090 8.291 8.250 0.217 0.000 0.501 144 E N -1.130 119.127 120.200 0.095 0.000 2.460 144 E HA 0.140 4.792 4.350 0.017 -0.292 0.200 144 E C -0.612 176.013 176.600 0.042 0.000 1.011 144 E CA 0.703 57.130 56.400 0.044 0.000 0.912 144 E CB 1.417 31.142 29.700 0.043 0.000 0.953 144 E HN -0.101 8.465 8.360 0.114 -0.137 0.494 145 A N -2.325 120.531 122.820 0.061 0.000 2.488 145 A HA 0.443 4.793 4.320 0.049 0.000 0.298 145 A C -0.888 176.740 177.584 0.073 0.000 1.044 145 A CA -0.800 51.271 52.037 0.056 0.000 0.693 145 A CB 2.226 21.256 19.000 0.050 0.000 1.272 145 A HN -0.773 7.476 8.150 0.078 -0.053 0.402 146 S N 2.245 117.988 115.700 0.070 0.000 2.469 146 S HA -0.217 4.311 4.470 0.096 0.000 0.238 146 S C 1.241 175.892 174.600 0.086 0.000 0.998 146 S CA 2.277 60.526 58.200 0.082 0.000 0.957 146 S CB -0.465 62.777 63.200 0.070 0.000 0.764 146 S HN 0.661 9.007 8.310 0.061 0.000 0.514 147 T N -3.426 111.176 114.554 0.080 0.000 3.081 147 T HA -0.030 4.375 4.350 0.091 0.000 0.255 147 T C 0.495 175.272 174.700 0.128 0.000 1.113 147 T CA 0.049 62.205 62.100 0.093 0.000 1.082 147 T CB -0.168 68.746 68.868 0.077 0.000 0.939 147 T HN -0.410 7.837 8.240 0.071 0.035 0.506 148 D N 3.011 123.472 120.400 0.102 0.000 2.361 148 D HA -0.080 4.612 4.640 0.087 0.000 0.239 148 D C -0.286 176.079 176.300 0.109 0.000 1.200 148 D CA 0.289 54.328 54.000 0.066 0.000 0.915 148 D CB 1.001 41.797 40.800 -0.006 0.000 1.170 148 D HN -0.480 7.788 8.370 0.087 0.154 0.444 149 Y N -4.705 115.594 120.300 -0.001 0.000 2.588 149 Y HA 0.203 4.727 4.550 -0.044 0.000 0.247 149 Y C -1.714 174.112 175.900 -0.122 0.000 1.157 149 Y CA -0.767 57.305 58.100 -0.046 0.000 1.215 149 Y CB 0.419 38.859 38.460 -0.033 0.000 1.245 149 Y HN 0.035 8.037 8.280 -0.464 0.000 0.534 150 L N -1.121 119.849 121.223 -0.421 0.000 2.309 150 L HA 0.222 4.336 4.340 -0.378 0.000 0.261 150 L C -0.947 175.834 176.870 -0.149 0.000 1.021 150 L CA -1.389 53.236 54.840 -0.359 0.000 0.823 150 L CB 3.178 45.038 42.059 -0.331 0.000 1.366 150 L HN -0.847 7.080 8.230 -0.407 0.059 0.423 151 Y N -0.896 119.386 120.300 -0.030 0.000 2.420 151 Y HA 0.388 4.959 4.550 0.036 0.000 0.334 151 Y C -1.655 174.250 175.900 0.008 0.000 1.094 151 Y CA -3.810 54.298 58.100 0.013 0.000 1.126 151 Y CB 0.166 38.636 38.460 0.017 0.000 1.217 151 Y HN 0.035 8.267 8.280 -0.080 0.000 0.462 152 P HA 0.003 4.510 4.420 0.145 0.000 0.270 152 P C -1.335 176.063 177.300 0.163 0.000 1.223 152 P CA -0.518 62.705 63.100 0.205 0.000 0.785 152 P CB 1.208 33.096 31.700 0.312 0.000 0.923 153 E N -2.064 118.190 120.200 0.089 0.000 2.400 153 E HA -0.034 4.282 4.350 -0.057 0.000 0.195 153 E C -0.220 176.451 176.600 0.118 0.000 1.012 153 E CA 1.148 57.559 56.400 0.017 0.000 0.875 153 E CB 0.652 30.327 29.700 -0.041 0.000 0.859 153 E HN 0.405 8.803 8.360 0.063 0.000 0.498 154 Q N -1.028 118.870 119.800 0.164 0.000 2.309 154 Q HA 0.307 4.914 4.340 0.214 -0.138 0.264 154 Q C -0.215 175.973 176.000 0.314 0.000 1.008 154 Q CA -1.334 54.579 55.803 0.184 0.000 0.853 154 Q CB 1.819 30.463 28.738 -0.156 0.000 1.314 154 Q HN -0.554 7.757 8.270 0.134 0.040 0.448 155 L N 5.938 127.218 121.223 0.095 0.000 2.461 155 L HA 0.008 3.793 4.340 -0.925 0.000 0.272 155 L C -1.177 175.597 176.870 -0.160 0.000 1.197 155 L CA 0.772 55.346 54.840 -0.444 0.000 0.836 155 L CB 1.129 42.825 42.059 -0.606 0.000 1.105 155 L HN 0.160 8.473 8.230 0.137 0.000 0.477 156 K N 2.650 122.864 120.400 -0.310 0.000 2.444 156 K HA 0.835 5.197 4.320 -0.182 -0.151 0.252 156 K C -1.714 174.721 176.600 -0.275 0.000 0.993 156 K CA -1.667 54.473 56.287 -0.244 0.000 0.847 156 K CB 4.067 36.402 32.500 -0.274 0.000 1.340 156 K HN -0.229 7.717 8.250 -0.507 0.000 0.446 157 M N -0.073 119.398 119.600 -0.216 0.000 2.569 157 M HA 0.873 5.429 4.480 -0.170 -0.177 0.279 157 M C -2.409 173.811 176.300 -0.132 0.000 1.253 157 M CA -0.585 54.615 55.300 -0.166 0.000 0.867 157 M CB 4.947 37.462 32.600 -0.143 0.000 1.727 157 M HN 0.670 8.829 8.290 -0.218 0.000 0.467 158 T N 1.047 115.544 114.554 -0.095 0.000 2.739 158 T HA 0.415 4.713 4.350 -0.086 0.000 0.303 158 T C -2.399 172.265 174.700 -0.059 0.000 1.389 158 T CA -1.198 60.854 62.100 -0.080 0.000 1.001 158 T CB 2.745 71.567 68.868 -0.077 0.000 1.436 158 T HN 0.240 8.433 8.240 -0.079 0.000 0.500 159 V N 2.659 122.537 119.914 -0.059 0.000 2.604 159 V HA 0.783 5.051 4.120 -0.056 -0.181 0.305 159 V C -1.627 174.425 176.094 -0.070 0.000 1.043 159 V CA -0.769 61.495 62.300 -0.060 0.000 0.888 159 V CB 2.775 34.564 31.823 -0.057 0.000 0.995 159 V HN 0.373 8.525 8.190 -0.063 0.000 0.429 160 V N 6.106 125.972 119.914 -0.080 0.000 3.141 160 V HA 0.359 4.417 4.120 -0.102 0.000 0.312 160 V C -2.424 173.604 176.094 -0.110 0.000 1.157 160 V CA -2.523 59.720 62.300 -0.095 0.000 1.041 160 V CB 5.282 37.063 31.823 -0.071 0.000 1.071 160 V HN 1.049 9.190 8.190 -0.082 0.000 0.441 161 K N 1.377 121.705 120.400 -0.120 0.000 2.267 161 K HA 0.747 5.200 4.320 -0.103 -0.194 0.246 161 K C -0.890 175.653 176.600 -0.095 0.000 0.954 161 K CA -2.277 53.946 56.287 -0.107 0.000 0.824 161 K CB 3.438 35.875 32.500 -0.104 0.000 1.167 161 K HN 0.348 8.517 8.250 -0.135 0.000 0.431 162 L N 0.795 121.973 121.223 -0.075 0.000 2.371 162 L HA 0.212 4.628 4.340 -0.081 -0.125 0.272 162 L C 0.161 177.047 176.870 0.026 0.000 1.124 162 L CA -0.089 54.722 54.840 -0.049 0.000 0.816 162 L CB 0.359 42.398 42.059 -0.033 0.000 1.129 162 L HN 0.336 8.519 8.230 -0.079 0.000 0.448 163 I N -3.138 117.440 120.570 0.012 0.000 2.910 163 I HA 0.468 4.728 4.170 0.150 0.000 0.310 163 I C -1.268 174.818 176.117 -0.051 0.000 1.043 163 I CA -1.898 59.426 61.300 0.040 0.000 1.053 163 I CB 2.806 40.815 38.000 0.014 0.000 1.242 163 I HN 0.455 8.647 8.210 -0.031 0.000 0.452 164 S N -0.187 115.418 115.700 -0.159 0.000 2.624 164 S HA -0.018 4.342 4.470 -0.184 0.000 0.263 164 S C 0.976 175.419 174.600 -0.262 0.000 1.287 164 S CA -0.107 57.931 58.200 -0.270 0.000 0.990 164 S CB 1.306 64.184 63.200 -0.536 0.000 0.950 164 S HN 0.413 8.605 8.310 -0.197 0.000 0.561 165 H N 2.586 121.607 119.070 -0.081 0.000 2.395 165 H HA -0.159 4.393 4.556 -0.007 0.000 0.299 165 H C 2.334 177.616 175.328 -0.078 0.000 1.070 165 H CA 4.538 60.563 56.048 -0.039 0.000 1.356 165 H CB -0.149 29.606 29.762 -0.011 0.000 1.401 165 H HN 0.709 9.015 8.280 0.043 0.000 0.524 166 R N -0.738 119.751 120.500 -0.017 0.000 2.103 166 R HA -0.345 3.977 4.340 -0.031 0.000 0.242 166 R C 1.548 177.751 176.300 -0.162 0.000 1.142 166 R CA 3.121 59.175 56.100 -0.078 0.000 0.960 166 R CB -0.703 29.528 30.300 -0.115 0.000 0.858 166 R HN 0.325 8.578 8.270 -0.016 0.007 0.439 167 E N -1.915 118.143 120.200 -0.238 0.000 2.072 167 E HA -0.265 3.834 4.350 -0.419 0.000 0.190 167 E C 2.004 178.226 176.600 -0.631 0.000 0.982 167 E CA 2.600 58.752 56.400 -0.412 0.000 0.803 167 E CB -0.041 29.462 29.700 -0.329 0.000 0.755 167 E HN -0.660 7.556 8.360 -0.227 0.008 0.453 168 c N -1.182 117.244 118.600 -0.290 0.000 2.446 168 c HA -0.252 4.334 4.570 0.027 0.000 0.279 168 c C 0.017 174.127 174.090 0.033 0.000 1.366 168 c CA 1.619 57.912 56.329 -0.059 0.000 1.763 168 c CB -1.021 41.538 42.510 0.081 0.000 1.929 168 c HN -0.445 7.666 8.230 -0.197 0.000 0.509 169 Q N -0.286 119.517 119.800 0.006 0.000 2.681 169 Q HA 0.223 4.831 4.340 0.165 -0.169 0.222 169 Q C 0.461 176.484 176.000 0.039 0.000 1.258 169 Q CA -1.068 54.785 55.803 0.084 0.000 1.014 169 Q CB -1.790 27.004 28.738 0.094 0.000 1.384 169 Q HN 0.011 8.235 8.270 -0.042 0.021 0.570 170 H N -0.251 118.883 119.070 0.106 0.000 2.590 170 H HA -0.430 4.140 4.556 0.023 0.000 0.337 170 H C -0.607 174.759 175.328 0.063 0.000 0.901 170 H CA 1.683 57.776 56.048 0.075 0.000 1.152 170 H CB -1.146 28.651 29.762 0.059 0.000 1.429 170 H HN 0.332 8.983 8.280 0.618 0.000 0.391 171 Y N -1.352 118.789 120.300 -0.266 0.000 2.710 171 Y HA 0.480 4.911 4.550 -0.588 -0.234 0.117 171 Y C 0.524 176.218 175.900 -0.344 0.000 0.875 171 Y CA -1.108 56.717 58.100 -0.457 0.000 1.795 171 Y CB 1.809 40.039 38.460 -0.383 0.000 1.154 171 Y HN -0.504 7.882 8.280 0.176 0.000 0.308 172 Y N -4.195 116.243 120.300 0.229 0.000 2.641 172 Y HA 0.099 4.753 4.550 0.174 0.000 0.248 172 Y C -0.075 175.929 175.900 0.174 0.000 1.170 172 Y CA -1.078 57.144 58.100 0.203 0.000 1.201 172 Y CB 0.528 39.160 38.460 0.285 0.000 1.232 172 Y HN -0.228 8.194 8.280 0.235 0.000 0.537 173 G N 0.461 109.416 108.800 0.260 0.000 2.582 173 G HA2 -0.494 3.699 3.960 0.145 0.000 0.300 173 G HA3 -0.494 3.563 3.960 0.162 0.000 0.300 173 G C 0.059 175.071 174.900 0.187 0.000 1.300 173 G CA 1.192 46.402 45.100 0.183 0.000 0.959 173 G HN -0.718 7.707 8.290 0.224 0.000 0.548 174 S N 0.467 116.253 115.700 0.143 0.000 2.803 174 S HA -0.033 4.520 4.470 0.139 0.000 0.228 174 S C 0.085 174.776 174.600 0.152 0.000 0.953 174 S CA 0.546 58.825 58.200 0.132 0.000 0.983 174 S CB -0.684 62.567 63.200 0.086 0.000 0.784 174 S HN 0.269 8.650 8.310 0.119 0.000 0.498 175 E N 0.106 120.420 120.200 0.191 0.000 2.299 175 E HA -0.154 4.260 4.350 0.105 0.000 0.193 175 E C -0.696 176.056 176.600 0.253 0.000 0.998 175 E CA 1.218 57.713 56.400 0.159 0.000 0.851 175 E CB 0.515 30.288 29.700 0.121 0.000 0.795 175 E HN -0.207 8.169 8.360 0.229 0.121 0.492 176 V N 0.084 120.189 119.914 0.319 0.000 2.432 176 V HA 0.008 4.361 4.120 0.388 0.000 0.275 176 V C -0.715 175.528 176.094 0.249 0.000 1.043 176 V CA 0.291 62.788 62.300 0.329 0.000 0.925 176 V CB 0.520 32.536 31.823 0.323 0.000 0.985 176 V HN -0.921 7.412 8.190 0.302 0.038 0.466 177 T N 2.530 117.223 114.554 0.231 0.000 2.919 177 T HA 0.383 4.809 4.350 0.127 0.000 0.282 177 T C 0.797 175.547 174.700 0.084 0.000 1.020 177 T CA -2.312 59.882 62.100 0.156 0.000 0.994 177 T CB 2.416 71.397 68.868 0.188 0.000 1.180 177 T HN -0.512 7.878 8.240 0.250 0.000 0.566 178 T N -5.017 109.520 114.554 -0.028 0.000 3.051 178 T HA -0.186 3.885 4.350 -0.464 0.000 0.269 178 T C 0.860 175.463 174.700 -0.161 0.000 1.127 178 T CA 2.530 64.517 62.100 -0.189 0.000 1.107 178 T CB -0.578 68.223 68.868 -0.112 0.000 0.898 178 T HN 0.229 8.468 8.240 -0.001 0.000 0.517 179 K N 0.448 120.834 120.400 -0.023 0.000 2.437 179 K HA 0.188 4.363 4.320 -0.242 0.000 0.198 179 K C -1.363 175.311 176.600 0.123 0.000 1.024 179 K CA -0.625 55.649 56.287 -0.022 0.000 1.148 179 K CB -0.533 32.010 32.500 0.071 0.000 0.860 179 K HN -0.578 7.641 8.250 0.049 0.061 0.515 180 M N -2.175 117.508 119.600 0.138 0.000 2.727 180 M HA 0.698 5.432 4.480 0.187 -0.142 0.300 180 M C -1.779 174.648 176.300 0.212 0.000 1.246 180 M CA -0.901 54.511 55.300 0.187 0.000 0.835 180 M CB 5.490 38.212 32.600 0.203 0.000 1.755 180 M HN -0.393 7.786 8.290 0.120 0.183 0.473 181 L N -3.564 117.743 121.223 0.140 0.000 2.434 181 L HA 0.498 4.802 4.340 -0.060 0.000 0.260 181 L C -2.013 174.890 176.870 0.056 0.000 0.983 181 L CA -1.167 53.701 54.840 0.047 0.000 0.820 181 L CB 4.952 47.035 42.059 0.040 0.000 1.361 181 L HN 0.298 8.612 8.230 0.140 0.000 0.410 182 c N 0.381 118.965 118.600 -0.026 0.000 2.456 182 c HA 1.041 5.903 4.570 0.138 -0.209 0.325 182 c C -1.298 172.812 174.090 0.034 0.000 1.217 182 c CA -1.394 54.970 56.329 0.058 0.000 1.687 182 c CB 2.521 45.059 42.510 0.047 0.000 2.270 182 c HN 0.845 8.987 8.230 -0.146 0.000 0.499 183 A N 2.351 125.233 122.820 0.104 0.000 2.455 183 A HA 1.147 5.602 4.320 -0.045 -0.162 0.300 183 A C -2.508 175.099 177.584 0.038 0.000 1.040 183 A CA -1.186 50.850 52.037 -0.003 0.000 0.697 183 A CB 3.500 22.401 19.000 -0.164 0.000 1.265 183 A HN 0.545 8.831 8.150 0.228 0.000 0.407 184 A N 1.529 124.304 122.820 -0.074 0.000 4.208 184 A HA 0.474 4.760 4.320 -0.057 0.000 0.243 184 A C -0.434 176.967 177.584 -0.306 0.000 0.946 184 A CA -0.492 51.435 52.037 -0.182 0.000 0.652 184 A CB 2.050 20.814 19.000 -0.392 0.000 1.617 184 A HN 0.482 8.567 8.150 -0.109 0.000 0.824 185 Q N -0.714 118.900 119.800 -0.311 0.000 2.053 185 Q HA -0.425 3.936 4.340 0.036 0.000 0.284 185 Q C -0.795 175.225 176.000 0.033 0.000 0.998 185 Q CA 0.885 56.638 55.803 -0.084 0.000 0.968 185 Q CB -1.536 27.190 28.738 -0.020 0.000 1.391 185 Q HN 0.515 8.622 8.270 -0.271 0.000 0.582 186 W N -7.908 113.382 121.300 -0.016 0.000 7.168 186 W HA -0.300 4.345 4.660 -0.025 0.000 0.415 186 W C -0.547 175.959 176.519 -0.021 0.000 1.614 186 W CA 0.016 57.346 57.345 -0.026 0.000 1.165 186 W CB -2.909 26.524 29.460 -0.044 0.000 2.824 186 W HN 0.021 7.686 8.180 -0.859 0.000 1.619 187 K N -3.281 117.163 120.400 0.072 0.000 2.313 187 K HA 0.194 4.558 4.320 0.072 0.000 0.197 187 K C 0.069 176.684 176.600 0.025 0.000 1.061 187 K CA 0.075 56.390 56.287 0.047 0.000 0.980 187 K CB 1.949 34.455 32.500 0.009 0.000 0.888 187 K HN -0.491 7.990 8.250 -0.015 -0.239 0.502 188 T N -2.842 111.715 114.554 0.005 0.000 2.916 188 T HA 0.288 4.769 4.350 -0.000 -0.131 0.292 188 T C -2.276 172.435 174.700 0.019 0.000 1.055 188 T CA -1.457 60.641 62.100 -0.004 0.000 1.009 188 T CB 2.390 71.236 68.868 -0.037 0.000 1.118 188 T HN -0.505 7.728 8.240 -0.013 0.000 0.497 189 D N 1.281 121.697 120.400 0.027 0.000 2.808 189 D HA 0.237 4.917 4.640 0.067 0.000 0.294 189 D C -1.966 174.367 176.300 0.055 0.000 1.278 189 D CA -0.743 53.294 54.000 0.061 0.000 0.756 189 D CB 2.567 43.422 40.800 0.092 0.000 1.271 189 D HN -0.297 8.078 8.370 0.009 0.000 0.425 190 S N -1.596 114.151 115.700 0.078 0.000 2.669 190 S HA 0.173 4.671 4.470 0.046 0.000 0.270 190 S C -1.517 173.110 174.600 0.044 0.000 1.225 190 S CA -0.227 58.008 58.200 0.060 0.000 0.991 190 S CB 1.452 64.694 63.200 0.070 0.000 0.987 190 S HN 0.294 8.667 8.310 0.105 0.000 0.552 191 c N -1.692 116.935 118.600 0.045 0.000 3.276 191 c HA 0.201 4.809 4.570 0.063 0.000 0.370 191 c C -1.486 172.655 174.090 0.085 0.000 1.624 191 c CA -0.708 55.661 56.329 0.066 0.000 1.179 191 c CB 2.833 45.389 42.510 0.076 0.000 1.909 191 c HN 0.148 8.627 8.230 0.042 -0.224 0.434 192 Q N 1.932 121.806 119.800 0.123 0.000 2.300 192 Q HA -0.174 4.258 4.340 0.154 0.000 0.280 192 Q C 0.798 176.907 176.000 0.182 0.000 1.033 192 Q CA 2.230 58.136 55.803 0.171 0.000 0.903 192 Q CB 0.770 29.629 28.738 0.202 0.000 1.195 192 Q HN 0.548 8.891 8.270 0.122 0.000 0.386 193 G N 5.892 114.773 108.800 0.135 0.000 2.213 193 G HA2 -0.370 3.601 3.960 0.018 0.000 0.236 193 G HA3 -0.370 3.259 3.960 -0.552 0.000 0.236 193 G C 0.182 175.080 174.900 -0.004 0.000 0.991 193 G CA 0.830 45.876 45.100 -0.090 0.000 0.629 193 G HN 0.616 9.003 8.290 0.161 0.000 0.517 194 D N 0.107 120.535 120.400 0.047 0.000 2.354 194 D HA 0.088 4.806 4.640 0.131 0.000 0.209 194 D C 0.216 176.572 176.300 0.093 0.000 1.015 194 D CA 0.704 54.756 54.000 0.087 0.000 0.867 194 D CB 0.629 41.465 40.800 0.060 0.000 0.933 194 D HN 0.049 8.366 8.370 0.060 0.089 0.520 195 S N -0.847 114.890 115.700 0.062 0.000 2.571 195 S HA -0.544 4.088 4.470 0.045 -0.135 0.298 195 S C 1.021 175.585 174.600 -0.060 0.000 1.280 195 S CA 3.345 61.553 58.200 0.013 0.000 1.052 195 S CB 0.178 63.377 63.200 -0.001 0.000 0.799 195 S HN -0.388 7.928 8.310 0.078 0.041 0.501 196 G N 4.098 112.856 108.800 -0.071 0.000 2.304 196 G HA2 -0.478 3.500 3.960 -0.068 0.000 0.252 196 G HA3 -0.478 3.538 3.960 -0.107 -0.120 0.252 196 G C -0.196 174.733 174.900 0.048 0.000 1.014 196 G CA 0.371 45.438 45.100 -0.055 0.000 0.619 196 G HN 0.796 8.954 8.290 -0.053 0.100 0.525 197 G N 0.676 109.556 108.800 0.134 0.000 2.580 197 G HA2 0.421 4.520 3.960 0.233 0.000 0.278 197 G HA3 0.421 4.622 3.960 0.403 0.000 0.278 197 G C -2.823 172.225 174.900 0.247 0.000 1.212 197 G CA -2.083 43.176 45.100 0.265 0.000 0.939 197 G HN -0.518 7.741 8.290 0.122 0.104 0.513 198 P HA 0.583 5.260 4.420 0.171 -0.155 0.285 198 P C -1.925 175.477 177.300 0.169 0.000 1.269 198 P CA -1.509 61.716 63.100 0.209 0.000 0.844 198 P CB 2.254 34.084 31.700 0.218 0.000 1.094 199 L N 2.481 123.749 121.223 0.075 0.000 2.345 199 L HA 0.493 4.941 4.340 -0.062 -0.145 0.274 199 L C -2.060 174.772 176.870 -0.063 0.000 0.999 199 L CA -0.920 53.873 54.840 -0.077 0.000 0.849 199 L CB 1.871 43.735 42.059 -0.324 0.000 1.220 199 L HN 0.116 8.386 8.230 0.067 0.000 0.422 200 V N 8.133 128.024 119.914 -0.039 0.000 2.513 200 V HA 0.845 5.118 4.120 -0.097 -0.211 0.299 200 V C -1.135 174.921 176.094 -0.063 0.000 1.035 200 V CA -1.461 60.803 62.300 -0.060 0.000 0.889 200 V CB 2.465 34.279 31.823 -0.016 0.000 0.988 200 V HN 0.727 8.908 8.190 -0.014 0.000 0.440 201 c N 4.640 123.192 118.600 -0.080 0.000 3.080 201 c HA 0.440 4.977 4.570 -0.056 0.000 0.307 201 c C -1.416 172.636 174.090 -0.063 0.000 1.311 201 c CA -1.607 54.682 56.329 -0.067 0.000 1.533 201 c CB 4.126 46.593 42.510 -0.072 0.000 1.970 201 c HN 0.987 9.158 8.230 -0.097 0.000 0.467 202 S N 1.408 117.079 115.700 -0.049 0.000 2.475 202 S HA 0.870 5.543 4.470 -0.051 -0.234 0.281 202 S C -0.780 173.796 174.600 -0.041 0.000 1.198 202 S CA -0.518 57.656 58.200 -0.043 0.000 1.063 202 S CB 0.683 63.866 63.200 -0.029 0.000 0.972 202 S HN 0.403 8.685 8.310 -0.046 0.000 0.486 203 L N 4.057 125.256 121.223 -0.040 0.000 2.381 203 L HA 0.276 4.600 4.340 -0.027 0.000 0.274 203 L C -0.691 176.164 176.870 -0.025 0.000 0.988 203 L CA -0.401 54.421 54.840 -0.030 0.000 0.824 203 L CB 2.818 44.861 42.059 -0.027 0.000 1.263 203 L HN 0.866 8.965 8.230 -0.047 0.103 0.410 204 Q N 4.056 123.845 119.800 -0.018 0.000 2.408 204 Q HA -0.427 3.905 4.340 -0.012 0.000 0.290 204 Q C -0.308 175.684 176.000 -0.015 0.000 1.221 204 Q CA 0.876 56.670 55.803 -0.014 0.000 0.895 204 Q CB -1.567 27.165 28.738 -0.011 0.000 1.241 204 Q HN 0.935 9.194 8.270 -0.018 0.000 0.494 205 G N -5.788 103.002 108.800 -0.017 0.000 2.241 205 G HA2 -0.388 3.566 3.960 -0.011 0.000 0.244 205 G HA3 -0.388 3.567 3.960 -0.010 0.000 0.244 205 G C -0.824 174.066 174.900 -0.016 0.000 0.998 205 G CA -0.305 44.787 45.100 -0.013 0.000 0.621 205 G HN 0.015 8.277 8.290 -0.019 0.017 0.519 206 R N 0.320 120.804 120.500 -0.027 0.000 2.643 206 R HA 0.281 4.604 4.340 -0.028 0.000 0.272 206 R C -1.301 174.961 176.300 -0.064 0.000 0.995 206 R CA -1.686 54.389 56.100 -0.041 0.000 1.032 206 R CB 1.703 31.972 30.300 -0.051 0.000 1.126 206 R HN 0.078 8.160 8.270 -0.028 0.172 0.505 207 M N 1.552 121.095 119.600 -0.095 0.000 2.105 207 M HA 0.275 4.826 4.480 -0.098 -0.131 0.350 207 M C -0.467 175.691 176.300 -0.236 0.000 1.308 207 M CA -1.672 53.540 55.300 -0.147 0.000 1.108 207 M CB -0.808 31.691 32.600 -0.169 0.000 1.622 207 M HN 0.688 8.927 8.290 -0.086 0.000 0.468 208 T N 5.567 120.010 114.554 -0.186 0.000 2.885 208 T HA 0.451 4.836 4.350 -0.209 -0.160 0.285 208 T C -1.408 173.184 174.700 -0.180 0.000 1.019 208 T CA -0.764 61.230 62.100 -0.177 0.000 1.010 208 T CB 2.611 71.419 68.868 -0.100 0.000 1.022 208 T HN 1.055 9.103 8.240 -0.139 0.109 0.466 209 L N 5.939 127.057 121.223 -0.174 0.000 2.407 209 L HA 0.031 4.392 4.340 -0.134 -0.101 0.282 209 L C -0.680 176.154 176.870 -0.059 0.000 1.110 209 L CA 0.216 54.983 54.840 -0.123 0.000 0.863 209 L CB -0.047 41.955 42.059 -0.096 0.000 1.207 209 L HN 0.155 8.281 8.230 -0.173 0.000 0.454 210 T N 6.576 121.097 114.554 -0.054 0.000 3.010 210 T HA 0.204 4.551 4.350 -0.006 0.000 0.252 210 T C 0.032 174.733 174.700 0.003 0.000 1.047 210 T CA 2.734 64.818 62.100 -0.028 0.000 1.140 210 T CB 1.382 70.216 68.868 -0.057 0.000 0.885 210 T HN 0.585 8.781 8.240 -0.073 0.000 0.464 211 G N -1.971 106.826 108.800 -0.006 0.000 2.694 211 G HA2 0.693 4.929 3.960 0.113 0.000 0.290 211 G HA3 0.693 4.691 3.960 0.064 0.000 0.290 211 G C -3.361 171.640 174.900 0.168 0.000 1.386 211 G CA -0.722 44.428 45.100 0.084 0.000 0.872 211 G HN -0.532 7.736 8.290 -0.037 0.000 0.475 212 I N -1.076 119.637 120.570 0.238 0.000 2.465 212 I HA 0.524 4.998 4.170 0.196 -0.187 0.291 212 I C -0.388 175.861 176.117 0.220 0.000 1.014 212 I CA -1.339 60.076 61.300 0.192 0.000 1.093 212 I CB 3.905 41.946 38.000 0.069 0.000 1.267 212 I HN -0.399 8.033 8.210 0.240 -0.078 0.431 213 V N 7.108 127.121 119.914 0.165 0.000 2.540 213 V HA -0.255 3.460 4.120 -0.675 0.000 0.297 213 V C -1.059 174.979 176.094 -0.093 0.000 1.024 213 V CA 2.084 64.298 62.300 -0.143 0.000 1.105 213 V CB -0.869 30.948 31.823 -0.010 0.000 0.938 213 V HN 0.715 8.919 8.190 0.202 0.107 0.482 214 S N 7.303 122.899 115.700 -0.174 0.000 3.249 214 S HA 0.392 4.997 4.470 0.226 0.000 0.237 214 S C -1.405 173.353 174.600 0.264 0.000 1.007 214 S CA 0.651 58.927 58.200 0.127 0.000 0.811 214 S CB 2.030 65.336 63.200 0.176 0.000 0.832 214 S HN -0.083 7.934 8.310 -0.488 0.000 0.573 215 W N -2.748 118.496 121.300 -0.093 0.000 2.923 215 W HA 0.271 4.896 4.660 -0.057 0.000 0.373 215 W C -2.731 173.701 176.519 -0.145 0.000 1.205 215 W CA -1.198 56.095 57.345 -0.088 0.000 1.180 215 W CB 0.989 30.398 29.460 -0.086 0.000 1.477 215 W HN -0.394 7.537 8.180 -0.415 0.000 0.581 216 G N -3.288 105.596 108.800 0.139 0.000 2.411 216 G HA2 0.146 3.997 3.960 -0.183 0.000 0.295 216 G HA3 0.146 4.103 3.960 -0.006 0.000 0.295 216 G C -2.399 172.620 174.900 0.199 0.000 1.542 216 G CA 0.388 45.503 45.100 0.026 0.000 0.814 216 G HN -0.118 8.373 8.290 0.335 0.000 0.557 220 c N 0.855 119.495 118.600 0.067 0.000 2.431 220 c HA 0.157 4.775 4.570 0.080 0.000 0.321 220 c C -0.178 173.955 174.090 0.071 0.000 1.202 220 c CA -0.699 55.674 56.329 0.073 0.000 1.398 220 c CB 0.792 43.345 42.510 0.070 0.000 2.047 220 c HN 0.337 8.601 8.230 0.057 0.000 0.465 221 A N 3.938 126.816 122.820 0.097 0.000 2.846 221 A HA -0.393 4.040 4.320 0.188 0.000 0.287 221 A C -1.684 175.966 177.584 0.110 0.000 1.469 221 A CA 0.915 53.031 52.037 0.131 0.000 0.757 221 A CB -1.547 17.509 19.000 0.095 0.000 1.033 221 A HN 0.577 9.096 8.150 0.106 -0.305 0.516 222 L N -2.620 118.635 121.223 0.053 0.000 2.664 222 L HA -0.047 4.249 4.340 -0.073 0.000 0.166 222 L C 0.984 177.657 176.870 -0.328 0.000 1.824 222 L CA -0.943 53.843 54.840 -0.090 0.000 3.021 222 L CB 0.549 42.547 42.059 -0.100 0.000 2.992 222 L HN -0.539 7.726 8.230 0.074 0.009 0.755 223 D N -4.071 114.971 120.400 -2.263 0.000 3.146 223 D HA -0.357 2.942 4.640 -2.235 0.000 0.200 223 D C -1.086 174.358 176.300 -1.427 0.000 1.153 223 D CA 2.010 54.870 54.000 -1.899 0.000 0.659 223 D CB -1.506 38.485 40.800 -1.348 0.000 1.072 223 D HN 0.232 6.181 8.370 -4.036 0.000 0.402 224 K N -3.337 116.483 120.400 -0.966 0.000 2.753 224 K HA 0.540 4.302 4.320 -0.930 0.000 0.185 224 K C -2.513 174.054 176.600 -0.055 0.000 1.071 224 K CA -3.960 52.010 56.287 -0.528 0.000 0.999 224 K CB 0.187 32.537 32.500 -0.250 0.000 1.244 224 K HN -0.589 7.003 8.250 -1.097 0.000 0.594 225 P HA -0.049 4.611 4.420 0.400 0.000 0.274 225 P C -1.046 176.390 177.300 0.226 0.000 1.260 225 P CA -0.264 63.016 63.100 0.300 0.000 0.793 225 P CB 1.056 32.938 31.700 0.302 0.000 1.048 226 G N -2.460 106.437 108.800 0.161 0.000 2.377 226 G HA2 0.538 4.429 3.960 -0.115 0.000 0.299 226 G HA3 0.538 4.515 3.960 0.027 0.000 0.299 226 G C -2.059 172.758 174.900 -0.138 0.000 1.150 226 G CA -0.939 44.145 45.100 -0.027 0.000 0.847 226 G HN -0.143 8.274 8.290 0.212 0.000 0.501 227 V N 3.376 122.926 119.914 -0.607 0.000 2.513 227 V HA 0.749 4.912 4.120 -0.206 -0.167 0.299 227 V C -0.969 174.739 176.094 -0.644 0.000 1.035 227 V CA -1.165 60.748 62.300 -0.645 0.000 0.889 227 V CB 2.257 33.134 31.823 -1.576 0.000 0.988 227 V HN 0.605 8.341 8.190 -0.757 0.000 0.440 228 Y N 4.618 124.804 120.300 -0.189 0.000 2.570 228 Y HA 0.637 5.297 4.550 -0.045 -0.137 0.345 228 Y C 0.218 176.121 175.900 0.005 0.000 1.014 228 Y CA -2.222 55.841 58.100 -0.062 0.000 1.063 228 Y CB 3.728 42.168 38.460 -0.033 0.000 1.272 228 Y HN 1.108 9.485 8.280 0.162 0.000 0.477 229 T N 3.518 118.176 114.554 0.174 0.000 2.884 229 T HA -0.020 4.439 4.350 0.182 0.000 0.298 229 T C -0.779 174.041 174.700 0.199 0.000 0.998 229 T CA 1.808 63.996 62.100 0.145 0.000 1.124 229 T CB 0.584 69.437 68.868 -0.024 0.000 0.931 229 T HN 0.369 8.703 8.240 0.156 0.000 0.531 230 R N 7.968 128.628 120.500 0.266 0.000 2.419 230 R HA 0.115 4.540 4.340 0.143 0.000 0.305 230 R C 0.962 177.465 176.300 0.337 0.000 1.242 230 R CA -0.758 55.458 56.100 0.194 0.000 1.105 230 R CB -0.388 29.912 30.300 -0.001 0.000 1.116 230 R HN -0.096 8.378 8.270 0.341 0.000 0.523 231 V N 7.693 127.765 119.914 0.262 0.000 2.278 231 V HA -0.594 3.751 4.120 0.376 0.000 0.251 231 V C 1.363 177.596 176.094 0.231 0.000 1.062 231 V CA 4.122 66.584 62.300 0.270 0.000 1.038 231 V CB -0.177 31.723 31.823 0.129 0.000 0.646 231 V HN 0.082 8.380 8.190 0.179 0.000 0.447 232 S N -0.572 115.223 115.700 0.159 0.000 2.462 232 S HA -0.394 4.060 4.470 -0.027 0.000 0.243 232 S C 1.298 175.805 174.600 -0.154 0.000 1.003 232 S CA 3.391 61.621 58.200 0.051 0.000 0.970 232 S CB -0.290 62.991 63.200 0.135 0.000 0.762 232 S HN 0.362 8.766 8.310 0.156 0.000 0.510 233 H N -0.010 118.918 119.070 -0.237 0.000 2.575 233 H HA 0.099 4.178 4.556 -0.795 0.000 0.267 233 H C 0.375 175.347 175.328 -0.594 0.000 0.966 233 H CA 1.381 57.146 56.048 -0.472 0.000 1.165 233 H CB 0.416 29.994 29.762 -0.308 0.000 1.433 233 H HN -0.441 7.831 8.280 0.285 0.180 0.544 234 F N -3.041 116.929 119.950 0.033 0.000 2.678 234 F HA 0.078 4.689 4.527 0.141 0.000 0.305 234 F C 0.193 176.076 175.800 0.138 0.000 1.090 234 F CA 0.462 58.528 58.000 0.110 0.000 1.272 234 F CB 0.621 39.685 39.000 0.107 0.000 1.060 234 F HN -0.006 8.216 8.300 0.179 0.185 0.576 235 L N 1.260 122.543 121.223 0.101 0.000 2.051 235 L HA -0.369 4.032 4.340 0.101 0.000 0.214 235 L C -1.165 175.756 176.870 0.085 0.000 1.076 235 L CA 5.914 60.787 54.840 0.057 0.000 0.758 235 L CB -2.923 39.088 42.059 -0.080 0.000 0.890 235 L HN -0.345 7.802 8.230 -0.048 0.054 0.433 236 P HA -0.245 4.204 4.420 0.048 0.000 0.215 236 P C 1.234 178.640 177.300 0.178 0.000 1.157 236 P CA 3.221 66.385 63.100 0.106 0.000 0.874 236 P CB -0.532 31.236 31.700 0.114 0.000 0.790 237 W N -1.290 120.095 121.300 0.141 0.000 2.354 237 W HA -0.197 4.603 4.660 0.233 0.000 0.315 237 W C 2.269 178.919 176.519 0.218 0.000 1.206 237 W CA 3.684 61.173 57.345 0.240 0.000 1.290 237 W CB -0.163 29.537 29.460 0.399 0.000 1.152 237 W HN -0.861 7.587 8.180 0.448 0.000 0.489 238 I N -0.900 119.827 120.570 0.261 0.000 2.118 238 I HA -0.719 3.245 4.170 -0.343 0.000 0.241 238 I C 2.598 178.593 176.117 -0.204 0.000 1.070 238 I CA 4.659 65.914 61.300 -0.075 0.000 1.327 238 I CB -0.430 37.606 38.000 0.060 0.000 1.034 238 I HN 0.043 8.555 8.210 0.504 0.000 0.405 239 R N -0.306 120.130 120.500 -0.106 0.000 2.122 239 R HA -0.423 3.809 4.340 -0.180 0.000 0.236 239 R C 2.844 179.014 176.300 -0.217 0.000 1.129 239 R CA 3.615 59.626 56.100 -0.149 0.000 0.925 239 R CB -0.206 30.046 30.300 -0.080 0.000 0.850 239 R HN 0.312 8.573 8.270 -0.016 0.000 0.431 240 S N -1.871 113.701 115.700 -0.213 0.000 2.520 240 S HA -0.136 4.171 4.470 -0.271 0.000 0.249 240 S C 0.817 175.048 174.600 -0.614 0.000 0.983 240 S CA 2.510 60.494 58.200 -0.359 0.000 0.958 240 S CB -0.559 62.427 63.200 -0.358 0.000 0.750 240 S HN 0.214 8.343 8.310 -0.126 0.105 0.527 241 H N -1.525 117.261 119.070 -0.473 0.000 3.058 241 H HA 0.259 4.591 4.556 -0.374 0.000 0.258 241 H C -0.465 174.441 175.328 -0.702 0.000 1.015 241 H CA 0.597 56.314 56.048 -0.550 0.000 1.210 241 H CB 1.938 31.248 29.762 -0.752 0.000 1.481 241 H HN -0.085 7.766 8.280 -0.372 0.206 0.492 242 T N 2.428 116.594 114.554 -0.646 0.000 2.928 242 T HA 0.113 3.639 4.350 -1.374 0.000 0.284 242 T C -1.416 173.087 174.700 -0.328 0.000 1.008 242 T CA 0.507 62.105 62.100 -0.837 0.000 1.057 242 T CB 1.117 69.484 68.868 -0.836 0.000 1.018 242 T HN -0.358 7.482 8.240 -0.502 0.099 0.493 243 K N 0.803 121.132 120.400 -0.119 0.000 2.615 243 K HA 0.086 4.376 4.320 -0.049 0.000 0.291 243 K C -1.103 175.556 176.600 0.097 0.000 1.017 243 K CA -0.756 55.532 56.287 0.001 0.000 0.882 243 K CB 1.987 34.503 32.500 0.027 0.000 1.522 243 K HN -0.142 8.094 8.250 -0.024 0.000 0.412 244 E N 1.161 121.395 120.200 0.057 0.000 3.901 244 E HA -0.391 3.981 4.350 0.037 0.000 0.244 244 E C -0.712 175.937 176.600 0.082 0.000 1.541 244 E CA 1.571 58.007 56.400 0.060 0.000 2.460 244 E CB -0.644 29.091 29.700 0.058 0.000 2.111 244 E HN 0.183 8.559 8.360 0.026 0.000 0.428 245 E N 0.000 120.240 120.200 0.066 0.000 2.725 245 E HA 0.000 4.397 4.350 0.078 0.000 0.291 245 E CA 0.000 56.437 56.400 0.062 0.000 0.976 245 E CB 0.000 29.724 29.700 0.041 0.000 0.812 245 E HN 0.000 8.391 8.360 0.052 0.000 0.440