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 1rcf_1_A DATA FIRST_RESID 1 DATA SEQUENCE SKKIGLFYGT QTGKTESVAE IIRDEFGNDV VTLHDVSQAE VTDLNDYQYL DATA SEQUENCE IIGCPTWNIG ELQSDWEGLY SELDDVDFNG KLVAYFGTGD QIGYADNFQD DATA SEQUENCE AIGILEEKIS QRGGKTVGYW STDGYDFNDS KALRNGKFVG LALDEDNQSD DATA SEQUENCE LTDDRIKSWV AQLKSEFGL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 4.421 4.470 -0.082 0.000 0.327 1 S C 0.000 174.510 174.600 -0.151 0.000 1.055 1 S CA 0.000 58.126 58.200 -0.123 0.000 1.107 1 S CB 0.000 63.114 63.200 -0.143 0.000 0.593 2 K N 2.712 123.088 120.400 -0.040 0.000 2.387 2 K HA 0.140 4.468 4.320 0.014 0.000 0.203 2 K C -0.067 176.602 176.600 0.115 0.000 1.030 2 K CA -0.449 55.879 56.287 0.069 0.000 1.099 2 K CB 0.460 33.053 32.500 0.156 0.000 0.863 2 K HN 0.322 8.563 8.250 -0.015 0.000 0.529 3 K N -0.302 120.144 120.400 0.077 0.000 2.237 3 K HA -0.125 4.327 4.320 0.048 -0.103 0.270 3 K C -0.008 176.655 176.600 0.105 0.000 1.015 3 K CA 0.039 56.383 56.287 0.096 0.000 0.949 3 K CB 0.897 33.493 32.500 0.159 0.000 0.976 3 K HN -0.805 7.417 8.250 0.049 0.057 0.472 4 I N 2.209 122.740 120.570 -0.067 0.000 2.331 4 I HA 0.018 4.237 4.170 -0.182 -0.158 0.292 4 I C -0.571 175.348 176.117 -0.330 0.000 0.998 4 I CA -0.541 60.628 61.300 -0.219 0.000 1.267 4 I CB 1.707 39.454 38.000 -0.422 0.000 1.386 4 I HN -0.078 8.069 8.210 -0.105 0.000 0.476 5 G N 6.316 114.739 108.800 -0.629 0.000 2.329 5 G HA2 0.474 3.863 3.960 -0.951 0.000 0.309 5 G HA3 0.474 3.368 3.960 -1.775 0.000 0.309 5 G C -2.643 172.115 174.900 -0.236 0.000 1.110 5 G CA -1.346 43.144 45.100 -1.016 0.000 0.923 5 G HN 0.340 8.346 8.290 -0.474 0.000 0.430 6 L N 6.540 127.683 121.223 -0.132 0.000 2.262 6 L HA 0.761 5.452 4.340 0.238 -0.209 0.288 6 L C -2.446 174.496 176.870 0.120 0.000 1.035 6 L CA -1.600 53.319 54.840 0.131 0.000 0.820 6 L CB 1.737 43.897 42.059 0.169 0.000 1.204 6 L HN 0.382 8.508 8.230 -0.173 0.000 0.424 7 F N 5.401 125.499 119.950 0.245 0.000 2.375 7 F HA 0.783 5.611 4.527 0.158 -0.207 0.361 7 F C -0.655 175.381 175.800 0.392 0.000 1.117 7 F CA -2.160 55.976 58.000 0.227 0.000 1.037 7 F CB 1.138 40.241 39.000 0.172 0.000 1.192 7 F HN 0.541 9.200 8.300 0.598 0.000 0.452 8 Y N 0.818 121.301 120.300 0.305 0.000 2.562 8 Y HA 1.043 6.088 4.550 0.465 -0.216 0.343 8 Y C -1.910 174.086 175.900 0.161 0.000 1.025 8 Y CA -3.568 54.719 58.100 0.312 0.000 1.082 8 Y CB 3.201 41.808 38.460 0.245 0.000 1.264 8 Y HN 0.528 8.783 8.280 -0.042 0.000 0.478 9 G N -2.051 106.963 108.800 0.356 0.000 2.519 9 G HA2 0.373 4.299 3.960 -0.057 0.000 0.307 9 G HA3 0.373 4.587 3.960 0.163 -0.156 0.307 9 G C -2.399 172.709 174.900 0.346 0.000 1.266 9 G CA -1.599 43.602 45.100 0.168 0.000 0.970 9 G HN -0.223 8.415 8.290 0.579 0.000 0.481 10 T N 0.067 114.766 114.554 0.241 0.000 2.932 10 T HA 0.356 4.877 4.350 0.284 0.000 0.318 10 T C -1.172 173.593 174.700 0.108 0.000 1.265 10 T CA -0.844 61.402 62.100 0.244 0.000 1.036 10 T CB 1.916 70.958 68.868 0.291 0.000 1.209 10 T HN 0.196 8.520 8.240 0.141 0.000 0.484 11 Q N 4.611 124.464 119.800 0.089 0.000 2.481 11 Q HA 0.067 4.314 4.340 -0.155 0.000 0.219 11 Q C 0.271 176.266 176.000 -0.007 0.000 0.920 11 Q CA 1.997 57.720 55.803 -0.133 0.000 0.915 11 Q CB 0.709 29.041 28.738 -0.676 0.000 1.057 11 Q HN 0.347 8.757 8.270 0.233 0.000 0.581 12 T N -4.581 110.073 114.554 0.166 0.000 3.176 12 T HA 0.218 4.629 4.350 0.101 0.000 0.263 12 T C 0.809 175.597 174.700 0.146 0.000 1.021 12 T CA -0.646 61.556 62.100 0.171 0.000 0.905 12 T CB 0.014 69.043 68.868 0.267 0.000 1.057 12 T HN -0.379 8.040 8.240 0.298 0.000 0.558 13 G N 2.783 111.667 108.800 0.141 0.000 2.199 13 G HA2 -0.471 3.559 3.960 0.118 0.000 0.254 13 G HA3 -0.471 3.543 3.960 0.090 0.000 0.254 13 G C 0.061 175.020 174.900 0.098 0.000 0.982 13 G CA 0.547 45.715 45.100 0.112 0.000 0.632 13 G HN -0.071 8.251 8.290 0.157 0.061 0.529 14 K N 0.278 120.749 120.400 0.118 0.000 2.097 14 K HA -0.298 4.060 4.320 0.063 0.000 0.205 14 K C 1.377 178.026 176.600 0.082 0.000 1.050 14 K CA 3.242 59.581 56.287 0.087 0.000 0.938 14 K CB -0.233 32.319 32.500 0.086 0.000 0.718 14 K HN 0.150 8.433 8.250 0.152 0.057 0.442 15 T N -0.285 114.344 114.554 0.126 0.000 2.867 15 T HA -0.312 4.155 4.350 0.194 0.000 0.268 15 T C 1.199 175.922 174.700 0.039 0.000 1.057 15 T CA 4.993 67.189 62.100 0.159 0.000 1.136 15 T CB -0.377 68.614 68.868 0.204 0.000 0.874 15 T HN -0.202 8.131 8.240 0.155 0.000 0.466 16 E N 1.107 121.266 120.200 -0.068 0.000 2.072 16 E HA -0.278 3.553 4.350 -0.864 0.000 0.191 16 E C 1.610 178.082 176.600 -0.213 0.000 0.985 16 E CA 2.972 59.160 56.400 -0.353 0.000 0.801 16 E CB -0.347 29.271 29.700 -0.137 0.000 0.750 16 E HN -0.456 7.929 8.360 0.042 0.000 0.452 17 S N -0.742 114.910 115.700 -0.079 0.000 2.370 17 S HA -0.223 4.210 4.470 -0.062 0.000 0.226 17 S C 2.264 176.820 174.600 -0.073 0.000 1.033 17 S CA 3.591 61.757 58.200 -0.057 0.000 1.011 17 S CB -0.161 63.029 63.200 -0.016 0.000 0.852 17 S HN -0.569 7.719 8.310 -0.037 0.000 0.457 18 V N -0.893 118.987 119.914 -0.057 0.000 2.427 18 V HA -0.361 3.696 4.120 -0.106 0.000 0.248 18 V C 1.171 177.148 176.094 -0.196 0.000 1.051 18 V CA 1.938 64.177 62.300 -0.101 0.000 1.048 18 V CB -1.513 30.267 31.823 -0.070 0.000 0.666 18 V HN -0.490 7.686 8.190 -0.023 0.000 0.456 19 A N 0.571 123.294 122.820 -0.162 0.000 1.908 19 A HA -0.407 3.774 4.320 -0.232 0.000 0.218 19 A C 2.086 179.583 177.584 -0.145 0.000 1.181 19 A CA 3.384 55.317 52.037 -0.174 0.000 0.627 19 A CB -0.979 17.877 19.000 -0.241 0.000 0.818 19 A HN -0.139 7.949 8.150 -0.104 0.000 0.445 20 E N -1.588 118.530 120.200 -0.137 0.000 2.110 20 E HA -0.346 3.964 4.350 -0.068 0.000 0.193 20 E C 2.532 179.098 176.600 -0.056 0.000 0.988 20 E CA 3.004 59.355 56.400 -0.082 0.000 0.804 20 E CB -0.026 29.631 29.700 -0.071 0.000 0.745 20 E HN -0.679 7.584 8.360 -0.161 0.000 0.458 21 I N -0.270 120.255 120.570 -0.074 0.000 2.252 21 I HA -0.385 3.763 4.170 -0.037 0.000 0.245 21 I C 2.094 178.188 176.117 -0.038 0.000 1.102 21 I CA 4.112 65.377 61.300 -0.057 0.000 1.385 21 I CB -0.055 37.903 38.000 -0.071 0.000 1.064 21 I HN -0.688 7.382 8.210 -0.094 0.084 0.414 22 I N -0.757 119.774 120.570 -0.066 0.000 2.226 22 I HA -0.603 3.591 4.170 0.041 0.000 0.245 22 I C 1.595 177.813 176.117 0.168 0.000 1.100 22 I CA 4.217 65.537 61.300 0.033 0.000 1.374 22 I CB -0.506 37.461 38.000 -0.055 0.000 1.057 22 I HN -0.300 7.832 8.210 -0.129 0.000 0.413 23 R N -0.474 120.077 120.500 0.085 0.000 2.083 23 R HA -0.449 3.961 4.340 0.117 0.000 0.237 23 R C 1.482 177.849 176.300 0.112 0.000 1.137 23 R CA 3.724 59.880 56.100 0.093 0.000 0.951 23 R CB -0.346 29.965 30.300 0.019 0.000 0.851 23 R HN -0.475 7.808 8.270 0.021 0.000 0.434 24 D N -2.677 117.759 120.400 0.060 0.000 2.117 24 D HA -0.193 4.474 4.640 0.045 0.000 0.197 24 D C 2.497 178.830 176.300 0.055 0.000 0.987 24 D CA 3.063 57.091 54.000 0.046 0.000 0.829 24 D CB 0.164 40.972 40.800 0.014 0.000 0.961 24 D HN -0.541 7.850 8.370 0.035 0.000 0.460 25 E N -0.972 119.256 120.200 0.046 0.000 2.204 25 E HA -0.269 4.072 4.350 -0.016 0.000 0.194 25 E C 2.092 178.668 176.600 -0.040 0.000 0.989 25 E CA 2.073 58.467 56.400 -0.010 0.000 0.824 25 E CB -0.301 29.363 29.700 -0.060 0.000 0.756 25 E HN -0.195 8.195 8.360 0.050 0.000 0.477 26 F N -1.438 118.508 119.950 -0.007 0.000 2.641 26 F HA -0.341 4.185 4.527 -0.003 0.000 0.298 26 F C 0.357 176.159 175.800 0.004 0.000 1.146 26 F CA 1.956 59.955 58.000 -0.000 0.000 1.464 26 F CB 0.297 39.301 39.000 0.006 0.000 1.101 26 F HN -0.715 7.725 8.300 0.280 0.028 0.585 27 G N -0.330 108.548 108.800 0.131 0.000 2.596 27 G HA2 -0.543 3.453 3.960 0.060 0.000 0.304 27 G HA3 -0.543 3.456 3.960 0.064 0.000 0.304 27 G C -0.116 174.838 174.900 0.091 0.000 1.189 27 G CA 1.507 46.656 45.100 0.083 0.000 0.986 27 G HN -0.371 7.811 8.290 0.116 0.177 0.548 28 N N 3.978 122.725 118.700 0.079 0.000 2.398 28 N HA 0.051 4.826 4.740 0.058 0.000 0.188 28 N C -0.809 174.750 175.510 0.082 0.000 1.122 28 N CA 0.128 53.218 53.050 0.067 0.000 0.866 28 N CB -0.055 38.462 38.487 0.050 0.000 0.970 28 N HN 0.190 8.613 8.380 0.072 0.000 0.462 29 D N 1.475 121.951 120.400 0.126 0.000 2.325 29 D HA -0.001 4.698 4.640 0.099 0.000 0.251 29 D C -0.800 175.545 176.300 0.076 0.000 1.196 29 D CA 0.130 54.210 54.000 0.133 0.000 0.866 29 D CB 0.467 41.408 40.800 0.234 0.000 1.101 29 D HN -0.709 7.696 8.370 0.152 0.056 0.476 30 V N 4.632 124.561 119.914 0.024 0.000 2.521 30 V HA -0.130 3.992 4.120 0.004 0.000 0.286 30 V C -1.033 175.006 176.094 -0.092 0.000 1.034 30 V CA 0.079 62.374 62.300 -0.009 0.000 1.045 30 V CB 0.219 32.050 31.823 0.012 0.000 0.974 30 V HN 0.353 8.563 8.190 0.034 0.000 0.480 31 V N 8.585 128.432 119.914 -0.110 0.000 2.487 31 V HA 0.431 4.587 4.120 -0.221 -0.168 0.298 31 V C -0.299 175.741 176.094 -0.089 0.000 1.028 31 V CA -1.409 60.786 62.300 -0.175 0.000 0.860 31 V CB 2.927 34.615 31.823 -0.225 0.000 0.991 31 V HN 0.242 8.394 8.190 -0.062 0.000 0.427 32 T N 9.698 124.200 114.554 -0.088 0.000 2.758 32 T HA 0.233 4.527 4.350 -0.093 0.000 0.285 32 T C -1.732 172.881 174.700 -0.146 0.000 0.981 32 T CA -0.881 61.163 62.100 -0.092 0.000 0.965 32 T CB 1.042 69.924 68.868 0.024 0.000 0.927 32 T HN 0.597 8.769 8.240 -0.112 0.000 0.448 33 L N 6.112 127.230 121.223 -0.174 0.000 2.326 33 L HA 0.185 4.667 4.340 0.028 -0.124 0.278 33 L C 0.112 176.776 176.870 -0.343 0.000 1.092 33 L CA -0.258 54.533 54.840 -0.082 0.000 0.810 33 L CB 0.586 42.705 42.059 0.101 0.000 1.153 33 L HN 0.514 8.646 8.230 -0.164 0.000 0.439 34 H N 4.034 122.947 119.070 -0.262 0.000 2.823 34 H HA 0.231 4.597 4.556 -0.316 0.000 0.332 34 H C -1.776 173.209 175.328 -0.571 0.000 0.980 34 H CA -1.316 54.455 56.048 -0.461 0.000 1.286 34 H CB 3.065 32.233 29.762 -0.990 0.000 1.541 34 H HN 0.498 8.777 8.280 -0.002 0.000 0.521 35 D N 4.836 124.937 120.400 -0.497 0.000 2.317 35 D HA 0.147 4.013 4.640 -1.573 -0.170 0.252 35 D C 1.646 177.671 176.300 -0.457 0.000 1.174 35 D CA -1.008 52.484 54.000 -0.846 0.000 0.866 35 D CB 0.545 41.041 40.800 -0.507 0.000 1.127 35 D HN 0.392 8.577 8.370 -0.308 0.000 0.467 36 V N 4.213 123.822 119.914 -0.508 0.000 3.078 36 V HA -0.164 3.775 4.120 -0.302 0.000 0.265 36 V C 1.043 176.945 176.094 -0.320 0.000 1.122 36 V CA 1.882 63.916 62.300 -0.444 0.000 1.141 36 V CB -1.438 29.860 31.823 -0.876 0.000 0.735 36 V HN 0.295 8.101 8.190 -0.640 0.000 0.498 37 S N 0.993 116.534 115.700 -0.265 0.000 2.447 37 S HA -0.183 4.190 4.470 -0.161 0.000 0.233 37 S C 1.312 175.837 174.600 -0.125 0.000 1.006 37 S CA 2.248 60.347 58.200 -0.169 0.000 0.957 37 S CB -0.089 63.032 63.200 -0.132 0.000 0.773 37 S HN -0.096 8.312 8.310 -0.302 -0.279 0.507 38 Q N -1.062 118.665 119.800 -0.122 0.000 2.217 38 Q HA 0.134 4.436 4.340 -0.063 0.000 0.217 38 Q C -0.967 175.007 176.000 -0.043 0.000 0.844 38 Q CA -0.731 55.027 55.803 -0.074 0.000 0.957 38 Q CB 0.840 29.539 28.738 -0.066 0.000 1.127 38 Q HN -0.448 7.680 8.270 -0.156 0.049 0.503 39 A N -0.247 122.541 122.820 -0.054 0.000 2.269 39 A HA 0.051 4.510 4.320 0.053 -0.107 0.319 39 A C -0.780 176.789 177.584 -0.024 0.000 1.110 39 A CA -1.035 51.008 52.037 0.009 0.000 0.847 39 A CB 1.941 20.983 19.000 0.071 0.000 1.161 39 A HN -0.871 7.102 8.150 -0.101 0.116 0.497 40 E N -1.136 119.065 120.200 0.002 0.000 2.202 40 E HA 0.320 4.649 4.350 -0.035 0.000 0.272 40 E C 1.097 177.672 176.600 -0.042 0.000 0.951 40 E CA -2.690 53.696 56.400 -0.023 0.000 0.813 40 E CB 1.771 31.462 29.700 -0.014 0.000 1.151 40 E HN -0.388 8.271 8.360 0.037 -0.276 0.398 41 V N 3.799 123.680 119.914 -0.055 0.000 2.568 41 V HA -0.314 3.752 4.120 -0.089 0.000 0.253 41 V C 0.985 177.017 176.094 -0.103 0.000 1.072 41 V CA 3.492 65.750 62.300 -0.071 0.000 1.084 41 V CB -0.009 31.795 31.823 -0.032 0.000 0.676 41 V HN 0.704 8.867 8.190 -0.045 0.000 0.469 42 T N -4.128 110.377 114.554 -0.081 0.000 3.072 42 T HA -0.167 4.106 4.350 -0.127 0.000 0.266 42 T C 2.052 176.702 174.700 -0.084 0.000 1.127 42 T CA 2.958 65.002 62.100 -0.095 0.000 1.107 42 T CB -1.356 67.469 68.868 -0.072 0.000 0.910 42 T HN -0.139 8.037 8.240 -0.061 0.027 0.513 43 D N 3.473 123.847 120.400 -0.043 0.000 2.264 43 D HA -0.086 4.584 4.640 0.049 0.000 0.208 43 D C 1.908 178.206 176.300 -0.004 0.000 0.966 43 D CA 2.502 56.530 54.000 0.046 0.000 0.864 43 D CB -0.734 40.187 40.800 0.201 0.000 0.933 43 D HN -0.161 8.024 8.370 -0.038 0.163 0.499 44 L N -1.587 119.485 121.223 -0.250 0.000 2.275 44 L HA -0.296 3.737 4.340 -0.512 0.000 0.215 44 L C 1.631 178.403 176.870 -0.164 0.000 1.119 44 L CA 2.227 56.849 54.840 -0.362 0.000 0.790 44 L CB -0.507 41.316 42.059 -0.393 0.000 0.919 44 L HN -0.600 7.439 8.230 -0.251 0.040 0.443 45 N N -1.202 117.393 118.700 -0.175 0.000 2.381 45 N HA -0.162 4.444 4.740 -0.223 0.000 0.182 45 N C 1.281 176.703 175.510 -0.147 0.000 1.025 45 N CA 2.186 55.129 53.050 -0.179 0.000 0.888 45 N CB -0.378 38.009 38.487 -0.167 0.000 0.965 45 N HN -0.550 7.567 8.380 -0.169 0.162 0.438 46 D N -1.336 118.975 120.400 -0.149 0.000 2.371 46 D HA -0.141 4.323 4.640 -0.293 0.000 0.221 46 D C -0.288 175.646 176.300 -0.610 0.000 0.986 46 D CA 1.446 55.233 54.000 -0.354 0.000 0.899 46 D CB 0.256 40.809 40.800 -0.412 0.000 0.902 46 D HN -0.663 7.601 8.370 -0.083 0.057 0.530 47 Y N -2.983 117.275 120.300 -0.070 0.000 2.570 47 Y HA 0.170 4.651 4.550 -0.115 0.000 0.345 47 Y C 0.068 175.878 175.900 -0.149 0.000 1.014 47 Y CA -1.008 57.036 58.100 -0.094 0.000 1.063 47 Y CB 2.862 41.316 38.460 -0.011 0.000 1.272 47 Y HN -0.967 7.263 8.280 0.027 0.066 0.477 48 Q N 1.156 120.880 119.800 -0.127 0.000 2.391 48 Q HA -0.010 4.271 4.340 -0.098 0.000 0.211 48 Q C -1.142 174.756 176.000 -0.170 0.000 0.908 48 Q CA 0.953 56.614 55.803 -0.237 0.000 0.920 48 Q CB 1.234 29.730 28.738 -0.403 0.000 1.056 48 Q HN 0.367 8.521 8.270 -0.193 0.000 0.523 49 Y N -1.350 118.895 120.300 -0.093 0.000 2.328 49 Y HA 0.752 5.282 4.550 -0.315 -0.168 0.333 49 Y C -1.632 174.112 175.900 -0.259 0.000 0.958 49 Y CA -2.592 55.279 58.100 -0.382 0.000 1.167 49 Y CB 0.698 38.605 38.460 -0.922 0.000 1.151 49 Y HN -0.516 7.649 8.280 -0.191 0.000 0.470 50 L N 1.460 122.712 121.223 0.050 0.000 2.370 50 L HA 0.797 5.339 4.340 0.032 -0.182 0.266 50 L C -1.360 175.590 176.870 0.134 0.000 1.002 50 L CA -1.535 53.352 54.840 0.078 0.000 0.818 50 L CB 4.550 46.676 42.059 0.112 0.000 1.325 50 L HN 0.393 8.699 8.230 0.126 0.000 0.418 51 I N 0.950 121.621 120.570 0.168 0.000 2.418 51 I HA 0.497 4.978 4.170 0.190 -0.198 0.287 51 I C -1.392 174.882 176.117 0.263 0.000 1.008 51 I CA -1.098 60.351 61.300 0.248 0.000 1.104 51 I CB 2.777 41.002 38.000 0.375 0.000 1.264 51 I HN 0.410 8.718 8.210 0.164 0.000 0.438 52 I N 6.867 127.475 120.570 0.064 0.000 2.339 52 I HA 0.654 5.142 4.170 0.250 -0.169 0.290 52 I C -0.826 175.188 176.117 -0.172 0.000 0.994 52 I CA -3.151 58.154 61.300 0.007 0.000 1.191 52 I CB 0.638 38.452 38.000 -0.311 0.000 1.343 52 I HN 0.699 8.868 8.210 -0.067 0.000 0.458 53 G N 6.119 114.800 108.800 -0.198 0.000 2.470 53 G HA2 0.622 3.960 3.960 -1.462 0.000 0.320 53 G HA3 0.622 3.751 3.960 -1.386 0.000 0.320 53 G C -2.555 172.174 174.900 -0.285 0.000 1.245 53 G CA -1.077 43.462 45.100 -0.934 0.000 0.935 53 G HN 0.684 9.082 8.290 0.181 0.000 0.476 54 C N 3.869 122.932 119.300 -0.395 0.000 2.811 54 C HA 0.627 5.147 4.460 0.100 0.000 0.352 54 C C -2.617 172.294 174.990 -0.132 0.000 1.098 54 C CA -3.094 55.850 59.018 -0.125 0.000 1.295 54 C CB 3.652 31.209 27.740 -0.305 0.000 1.758 54 C HN 0.174 8.060 8.230 -0.573 0.000 0.488 55 P HA 0.522 5.059 4.420 -0.141 -0.202 0.282 55 P C -1.383 175.890 177.300 -0.044 0.000 1.259 55 P CA -1.052 62.026 63.100 -0.037 0.000 0.826 55 P CB 1.792 33.565 31.700 0.122 0.000 1.064 56 T N 2.332 116.749 114.554 -0.229 0.000 2.799 56 T HA 0.404 4.836 4.350 -0.099 -0.141 0.286 56 T C -0.526 173.930 174.700 -0.406 0.000 0.973 56 T CA 1.105 63.073 62.100 -0.220 0.000 1.035 56 T CB 1.361 70.072 68.868 -0.262 0.000 0.932 56 T HN -0.438 7.620 8.240 -0.303 0.000 0.469 57 W N 5.279 126.482 121.300 -0.162 0.000 2.902 57 W HA 0.231 4.758 4.660 -0.221 0.000 0.346 57 W C -1.329 175.093 176.519 -0.161 0.000 1.139 57 W CA -0.574 56.670 57.345 -0.168 0.000 1.139 57 W CB 3.716 33.120 29.460 -0.094 0.000 1.439 57 W HN 0.325 8.561 8.180 0.094 0.000 0.558 58 N N -0.753 118.037 118.700 0.151 0.000 2.735 58 N HA -0.383 4.431 4.740 0.123 0.000 0.248 58 N C -1.442 174.086 175.510 0.029 0.000 1.083 58 N CA 0.994 54.107 53.050 0.104 0.000 0.703 58 N CB -1.277 37.300 38.487 0.151 0.000 1.005 58 N HN 0.567 9.076 8.380 0.214 0.000 0.550 59 I N -5.615 114.923 120.570 -0.055 0.000 7.141 59 I HA -0.356 3.827 4.170 0.021 0.000 0.126 59 I C 0.089 176.212 176.117 0.009 0.000 1.833 59 I CA 0.739 62.054 61.300 0.025 0.000 2.047 59 I CB -2.013 36.060 38.000 0.122 0.000 3.597 59 I HN -0.164 7.926 8.210 -0.201 0.000 0.172 60 G N -0.468 108.310 108.800 -0.037 0.000 2.141 60 G HA2 -0.338 3.675 3.960 -0.050 0.000 0.242 60 G HA3 -0.338 3.615 3.960 -0.011 0.000 0.242 60 G C -0.242 174.629 174.900 -0.047 0.000 0.982 60 G CA 0.013 45.093 45.100 -0.035 0.000 0.662 60 G HN 0.490 8.727 8.290 -0.088 0.000 0.527 61 E N -0.927 119.255 120.200 -0.030 0.000 2.227 61 E HA 0.406 4.724 4.350 -0.054 0.000 0.268 61 E C -0.485 176.110 176.600 -0.008 0.000 0.990 61 E CA -2.769 53.618 56.400 -0.022 0.000 0.856 61 E CB 1.550 31.260 29.700 0.018 0.000 1.159 61 E HN -0.414 7.933 8.360 -0.021 0.000 0.401 62 L N 0.324 121.525 121.223 -0.037 0.000 2.461 62 L HA -0.084 4.251 4.340 -0.008 0.000 0.272 62 L C 0.211 177.143 176.870 0.103 0.000 1.197 62 L CA 0.403 55.246 54.840 0.005 0.000 0.836 62 L CB 0.173 42.208 42.059 -0.040 0.000 1.105 62 L HN 0.521 8.707 8.230 -0.074 0.000 0.477 63 Q N 1.267 121.177 119.800 0.184 0.000 2.304 63 Q HA -0.277 4.128 4.340 0.108 0.000 0.301 63 Q C 1.063 177.121 176.000 0.098 0.000 1.063 63 Q CA 0.982 56.885 55.803 0.167 0.000 0.947 63 Q CB 1.016 29.909 28.738 0.257 0.000 1.201 63 Q HN -0.020 8.362 8.270 0.187 0.000 0.389 64 S N 6.700 122.391 115.700 -0.016 0.000 2.374 64 S HA -0.394 4.076 4.470 0.000 0.000 0.227 64 S C 1.548 176.152 174.600 0.007 0.000 1.037 64 S CA 4.743 62.931 58.200 -0.020 0.000 1.024 64 S CB -0.292 62.855 63.200 -0.089 0.000 0.861 64 S HN 0.728 8.982 8.310 -0.094 0.000 0.456 65 D N 0.185 120.574 120.400 -0.018 0.000 2.144 65 D HA -0.182 4.417 4.640 -0.068 0.000 0.200 65 D C 2.223 178.492 176.300 -0.050 0.000 0.978 65 D CA 2.996 56.952 54.000 -0.073 0.000 0.833 65 D CB -0.490 40.216 40.800 -0.157 0.000 0.961 65 D HN 0.068 8.545 8.370 -0.027 -0.123 0.470 66 W N -0.268 121.038 121.300 0.010 0.000 2.402 66 W HA -0.371 4.318 4.660 0.050 0.000 0.286 66 W C 1.840 178.398 176.519 0.063 0.000 1.221 66 W CA 2.904 60.273 57.345 0.039 0.000 1.257 66 W CB 0.291 29.771 29.460 0.033 0.000 1.120 66 W HN -0.433 8.104 8.180 0.184 -0.247 0.551 67 E N -0.821 119.535 120.200 0.261 0.000 2.110 67 E HA -0.359 4.100 4.350 0.182 0.000 0.193 67 E C 2.431 179.152 176.600 0.202 0.000 0.988 67 E CA 3.385 59.893 56.400 0.181 0.000 0.804 67 E CB -0.739 29.010 29.700 0.081 0.000 0.745 67 E HN -0.242 8.160 8.360 0.212 0.085 0.458 68 G N -1.220 107.657 108.800 0.129 0.000 2.418 68 G HA2 -0.250 3.760 3.960 0.084 0.000 0.217 68 G HA3 -0.250 3.734 3.960 0.040 0.000 0.217 68 G C 1.739 176.705 174.900 0.109 0.000 1.158 68 G CA 1.876 47.028 45.100 0.086 0.000 0.771 68 G HN -0.612 7.727 8.290 0.100 0.011 0.545 69 L N 2.077 123.375 121.223 0.126 0.000 2.109 69 L HA -0.149 4.235 4.340 0.073 0.000 0.207 69 L C 2.587 179.615 176.870 0.263 0.000 1.086 69 L CA 2.006 56.931 54.840 0.141 0.000 0.760 69 L CB -0.157 41.923 42.059 0.036 0.000 0.910 69 L HN -0.680 7.617 8.230 0.111 0.000 0.437 70 Y N 1.110 121.559 120.300 0.249 0.000 2.139 70 Y HA -0.578 4.095 4.550 0.205 0.000 0.282 70 Y C 2.050 178.018 175.900 0.114 0.000 1.179 70 Y CA 3.730 61.941 58.100 0.185 0.000 1.161 70 Y CB -0.080 38.469 38.460 0.148 0.000 0.970 70 Y HN 0.364 8.959 8.280 0.526 0.000 0.511 71 S N -3.492 112.333 115.700 0.208 0.000 2.440 71 S HA -0.190 4.331 4.470 0.084 0.000 0.238 71 S C 0.899 175.503 174.600 0.007 0.000 1.010 71 S CA 2.897 61.156 58.200 0.098 0.000 0.972 71 S CB -0.398 62.876 63.200 0.123 0.000 0.774 71 S HN -0.535 7.945 8.310 0.305 0.013 0.501 72 E N -1.524 118.683 120.200 0.013 0.000 2.526 72 E HA 0.242 4.589 4.350 -0.005 0.000 0.208 72 E C 0.698 177.299 176.600 0.002 0.000 0.997 72 E CA -0.852 55.550 56.400 0.003 0.000 0.961 72 E CB 0.611 30.320 29.700 0.015 0.000 1.030 72 E HN -0.518 7.694 8.360 0.045 0.175 0.483 73 L N -0.425 120.789 121.223 -0.015 0.000 2.353 73 L HA -0.289 4.131 4.340 0.133 0.000 0.220 73 L C 1.069 177.969 176.870 0.050 0.000 1.133 73 L CA 2.662 57.537 54.840 0.058 0.000 0.798 73 L CB -0.396 41.675 42.059 0.021 0.000 0.922 73 L HN -0.873 7.317 8.230 -0.067 0.000 0.445 74 D N -3.651 116.738 120.400 -0.018 0.000 2.363 74 D HA -0.120 4.529 4.640 0.016 0.000 0.226 74 D C -0.057 176.242 176.300 -0.003 0.000 1.020 74 D CA 1.544 55.541 54.000 -0.004 0.000 0.892 74 D CB -0.905 39.881 40.800 -0.024 0.000 0.900 74 D HN -0.002 8.298 8.370 -0.050 0.040 0.531 75 D N -2.742 117.652 120.400 -0.010 0.000 2.350 75 D HA 0.108 4.731 4.640 -0.028 0.000 0.213 75 D C -0.072 176.191 176.300 -0.061 0.000 1.031 75 D CA 0.672 54.654 54.000 -0.030 0.000 0.861 75 D CB 0.763 41.545 40.800 -0.031 0.000 0.926 75 D HN -0.411 7.768 8.370 -0.005 0.189 0.520 76 V N -1.185 118.687 119.914 -0.071 0.000 2.864 76 V HA 0.127 4.121 4.120 -0.210 0.000 0.314 76 V C -1.652 174.325 176.094 -0.195 0.000 1.073 76 V CA -2.093 60.082 62.300 -0.209 0.000 0.956 76 V CB 2.875 34.472 31.823 -0.376 0.000 1.023 76 V HN -0.739 7.378 8.190 -0.019 0.062 0.435 77 D N 3.159 123.406 120.400 -0.254 0.000 2.349 77 D HA 0.140 4.772 4.640 -0.013 0.000 0.232 77 D C -1.176 174.986 176.300 -0.230 0.000 1.071 77 D CA -1.006 52.917 54.000 -0.128 0.000 0.832 77 D CB 0.561 41.306 40.800 -0.092 0.000 1.086 77 D HN 0.392 8.587 8.370 -0.291 0.000 0.504 78 F N 2.937 122.885 119.950 -0.003 0.000 2.693 78 F HA -0.025 4.502 4.527 -0.000 0.000 0.303 78 F C -0.154 175.659 175.800 0.022 0.000 1.097 78 F CA 0.033 58.038 58.000 0.009 0.000 1.330 78 F CB 0.293 39.306 39.000 0.022 0.000 1.067 78 F HN -0.304 8.181 8.300 0.310 0.000 0.565 79 N N -0.081 118.700 118.700 0.136 0.000 2.458 79 N HA -0.271 4.698 4.740 0.121 -0.157 0.258 79 N C 1.031 176.584 175.510 0.073 0.000 1.219 79 N CA 2.019 55.129 53.050 0.099 0.000 0.902 79 N CB 0.292 38.814 38.487 0.059 0.000 1.076 79 N HN -0.535 8.144 8.380 0.103 -0.238 0.455 80 G N 2.403 111.254 108.800 0.086 0.000 2.176 80 G HA2 -0.352 3.651 3.960 0.072 0.000 0.253 80 G HA3 -0.352 3.632 3.960 0.039 0.000 0.253 80 G C -0.885 174.067 174.900 0.086 0.000 0.979 80 G CA 0.114 45.255 45.100 0.068 0.000 0.641 80 G HN 0.508 8.858 8.290 0.100 0.000 0.530 81 K N 0.167 120.649 120.400 0.136 0.000 2.207 81 K HA 0.402 4.954 4.320 0.136 -0.151 0.255 81 K C -1.269 175.472 176.600 0.236 0.000 0.941 81 K CA -1.165 55.228 56.287 0.176 0.000 0.825 81 K CB 2.808 35.443 32.500 0.225 0.000 1.119 81 K HN -0.633 7.645 8.250 0.152 0.063 0.430 82 L N 2.668 124.079 121.223 0.313 0.000 2.307 82 L HA 0.674 5.357 4.340 0.290 -0.169 0.284 82 L C -1.520 175.572 176.870 0.370 0.000 1.023 82 L CA -1.199 53.862 54.840 0.369 0.000 0.810 82 L CB 1.928 44.297 42.059 0.517 0.000 1.231 82 L HN 0.269 8.699 8.230 0.334 0.000 0.423 83 V N 2.070 122.138 119.914 0.257 0.000 2.577 83 V HA 0.659 5.039 4.120 0.125 -0.185 0.303 83 V C -1.626 174.468 176.094 -0.000 0.000 1.042 83 V CA -2.152 60.201 62.300 0.088 0.000 0.872 83 V CB 2.721 34.513 31.823 -0.053 0.000 0.998 83 V HN 0.364 8.694 8.190 0.232 0.000 0.423 84 A N 7.030 129.823 122.820 -0.045 0.000 2.337 84 A HA 0.734 5.284 4.320 0.128 -0.152 0.331 84 A C -1.968 175.542 177.584 -0.123 0.000 1.137 84 A CA -2.618 49.442 52.037 0.039 0.000 0.807 84 A CB 4.100 23.145 19.000 0.076 0.000 1.250 84 A HN 0.608 8.781 8.150 0.039 0.000 0.468 85 Y N -2.742 117.763 120.300 0.341 0.000 2.499 85 Y HA 0.935 5.751 4.550 0.122 -0.193 0.347 85 Y C -1.238 174.749 175.900 0.145 0.000 0.987 85 Y CA -2.371 55.820 58.100 0.152 0.000 1.044 85 Y CB 3.809 42.228 38.460 -0.068 0.000 1.245 85 Y HN 0.343 8.995 8.280 0.619 0.000 0.461 86 F N -2.491 117.446 119.950 -0.022 0.000 2.613 86 F HA 0.958 5.372 4.527 -0.472 -0.170 0.310 86 F C -2.027 173.640 175.800 -0.222 0.000 1.085 86 F CA -2.685 55.130 58.000 -0.308 0.000 0.945 86 F CB 3.795 42.529 39.000 -0.443 0.000 1.298 86 F HN 0.580 8.836 8.300 -0.073 0.000 0.455 87 G N -1.320 107.312 108.800 -0.280 0.000 2.660 87 G HA2 0.359 4.176 3.960 -0.375 0.000 0.294 87 G HA3 0.359 4.241 3.960 -0.390 -0.155 0.294 87 G C -2.598 172.171 174.900 -0.218 0.000 1.369 87 G CA -1.034 43.868 45.100 -0.330 0.000 0.912 87 G HN 0.245 8.372 8.290 -0.271 0.000 0.479 88 T N -1.422 113.031 114.554 -0.167 0.000 2.888 88 T HA 0.830 5.336 4.350 -0.118 -0.227 0.284 88 T C -0.424 174.156 174.700 -0.201 0.000 1.017 88 T CA -2.860 59.167 62.100 -0.121 0.000 1.022 88 T CB 2.264 71.119 68.868 -0.023 0.000 1.013 88 T HN -0.033 8.108 8.240 -0.164 0.000 0.465 89 G N 0.941 109.667 108.800 -0.123 0.000 2.550 89 G HA2 0.066 3.914 3.960 -0.187 0.000 0.293 89 G HA3 0.066 3.929 3.960 -0.161 0.000 0.293 89 G C -3.687 171.331 174.900 0.197 0.000 1.402 89 G CA -0.053 44.999 45.100 -0.080 0.000 0.784 89 G HN -0.392 7.874 8.290 -0.040 0.000 0.482 90 D N -1.088 119.472 120.400 0.266 0.000 2.469 90 D HA 0.250 5.143 4.640 0.183 -0.143 0.251 90 D C 0.231 176.656 176.300 0.208 0.000 1.173 90 D CA -1.644 52.497 54.000 0.235 0.000 0.882 90 D CB 1.226 42.157 40.800 0.218 0.000 1.129 90 D HN -0.057 8.452 8.370 0.233 0.000 0.549 91 Q N 5.003 124.720 119.800 -0.139 0.000 2.297 91 Q HA -0.168 3.835 4.340 -0.562 0.000 0.204 91 Q C 0.871 176.773 176.000 -0.162 0.000 0.962 91 Q CA 2.400 57.897 55.803 -0.510 0.000 0.879 91 Q CB 0.486 28.634 28.738 -0.984 0.000 0.947 91 Q HN 0.170 8.673 8.270 -0.112 -0.301 0.462 92 I N -1.182 119.336 120.570 -0.088 0.000 2.429 92 I HA -0.226 3.900 4.170 -0.074 0.000 0.247 92 I C 2.055 178.102 176.117 -0.118 0.000 1.099 92 I CA 1.863 63.117 61.300 -0.077 0.000 1.422 92 I CB 0.192 38.157 38.000 -0.058 0.000 1.112 92 I HN -0.504 7.796 8.210 -0.065 -0.128 0.430 93 G N -1.239 107.470 108.800 -0.152 0.000 2.511 93 G HA2 -0.154 3.568 3.960 -0.398 0.000 0.217 93 G HA3 -0.154 3.487 3.960 -0.532 0.000 0.217 93 G C 0.057 174.445 174.900 -0.853 0.000 1.133 93 G CA 1.135 45.954 45.100 -0.468 0.000 0.792 93 G HN -0.362 8.355 8.290 -0.066 -0.466 0.539 94 Y N -1.566 118.743 120.300 0.015 0.000 2.473 94 Y HA 0.219 4.791 4.550 0.037 0.000 0.345 94 Y C -0.984 174.971 175.900 0.092 0.000 0.932 94 Y CA -2.333 55.794 58.100 0.046 0.000 1.124 94 Y CB -1.164 37.317 38.460 0.036 0.000 1.162 94 Y HN -0.659 7.635 8.280 0.024 0.000 0.629 95 A N 1.613 124.493 122.820 0.100 0.000 2.070 95 A HA -0.240 4.260 4.320 0.167 -0.080 0.220 95 A C 0.541 178.260 177.584 0.225 0.000 1.159 95 A CA 2.465 54.588 52.037 0.143 0.000 0.656 95 A CB -0.377 18.659 19.000 0.060 0.000 0.800 95 A HN 0.512 8.667 8.150 0.008 0.000 0.453 96 D N -4.617 115.892 120.400 0.181 0.000 2.339 96 D HA -0.027 4.721 4.640 0.181 0.000 0.217 96 D C -0.125 176.290 176.300 0.192 0.000 1.050 96 D CA 1.612 55.716 54.000 0.172 0.000 0.856 96 D CB -0.360 40.506 40.800 0.109 0.000 0.922 96 D HN 0.360 8.779 8.370 0.152 0.042 0.518 97 N N -1.431 117.406 118.700 0.228 0.000 2.475 97 N HA 0.092 5.117 4.740 0.129 -0.208 0.272 97 N C -1.816 173.789 175.510 0.157 0.000 1.482 97 N CA -0.160 52.987 53.050 0.162 0.000 0.863 97 N CB 1.772 40.336 38.487 0.128 0.000 1.400 97 N HN -0.634 7.743 8.380 0.267 0.163 0.489 98 F N 4.236 124.211 119.950 0.041 0.000 2.502 98 F HA -0.083 4.406 4.527 -0.063 0.000 0.371 98 F C -0.841 174.838 175.800 -0.202 0.000 1.083 98 F CA 1.351 59.306 58.000 -0.075 0.000 1.174 98 F CB 0.588 39.535 39.000 -0.088 0.000 1.096 98 F HN -0.835 7.693 8.300 0.380 0.000 0.545 99 Q N -0.035 119.357 119.800 -0.681 0.000 2.489 99 Q HA -0.490 3.460 4.340 -0.651 0.000 0.259 99 Q C -0.334 175.426 176.000 -0.399 0.000 0.934 99 Q CA 1.525 56.896 55.803 -0.720 0.000 1.131 99 Q CB -3.134 24.934 28.738 -1.115 0.000 1.472 99 Q HN 0.676 8.626 8.270 -0.532 0.000 0.560 100 D N -0.313 119.942 120.400 -0.241 0.000 2.149 100 D HA -0.339 4.218 4.640 -0.139 0.000 0.198 100 D C 1.137 177.318 176.300 -0.198 0.000 0.990 100 D CA 3.316 57.217 54.000 -0.164 0.000 0.839 100 D CB -0.220 40.523 40.800 -0.096 0.000 0.948 100 D HN -0.594 7.619 8.370 -0.211 0.031 0.460 101 A N -0.808 121.880 122.820 -0.220 0.000 1.892 101 A HA -0.314 3.883 4.320 -0.205 0.000 0.218 101 A C 1.720 179.141 177.584 -0.271 0.000 1.188 101 A CA 3.456 55.358 52.037 -0.224 0.000 0.631 101 A CB -0.522 18.363 19.000 -0.191 0.000 0.822 101 A HN -0.300 7.696 8.150 -0.227 0.018 0.447 102 I N -5.451 114.936 120.570 -0.304 0.000 2.394 102 I HA -0.379 3.605 4.170 -0.310 0.000 0.251 102 I C 1.689 177.589 176.117 -0.361 0.000 1.136 102 I CA 2.320 63.428 61.300 -0.320 0.000 1.425 102 I CB -0.873 36.950 38.000 -0.296 0.000 1.079 102 I HN -0.812 7.206 8.210 -0.320 0.000 0.425 103 G N 0.703 109.334 108.800 -0.282 0.000 2.402 103 G HA2 -0.326 3.475 3.960 -0.265 0.000 0.216 103 G HA3 -0.326 3.601 3.960 -0.167 -0.067 0.216 103 G C 0.834 175.613 174.900 -0.202 0.000 1.162 103 G CA 2.064 47.026 45.100 -0.230 0.000 0.777 103 G HN -0.680 7.438 8.290 -0.264 0.014 0.539 104 I N 2.871 123.333 120.570 -0.180 0.000 2.226 104 I HA -0.479 3.638 4.170 -0.088 0.000 0.245 104 I C 1.908 177.976 176.117 -0.081 0.000 1.100 104 I CA 3.866 65.087 61.300 -0.132 0.000 1.374 104 I CB 0.020 37.902 38.000 -0.197 0.000 1.057 104 I HN -0.441 7.653 8.210 -0.193 0.000 0.413 105 L N -1.797 119.327 121.223 -0.165 0.000 2.027 105 L HA -0.443 3.910 4.340 0.023 0.000 0.206 105 L C 1.969 178.737 176.870 -0.169 0.000 1.074 105 L CA 3.491 58.252 54.840 -0.132 0.000 0.745 105 L CB -0.460 41.417 42.059 -0.302 0.000 0.898 105 L HN -0.391 7.701 8.230 -0.229 0.000 0.433 106 E N -0.314 119.641 120.200 -0.408 0.000 2.150 106 E HA -0.371 3.721 4.350 -0.430 0.000 0.193 106 E C 2.329 178.787 176.600 -0.238 0.000 0.985 106 E CA 2.910 58.979 56.400 -0.552 0.000 0.814 106 E CB -0.333 28.735 29.700 -1.054 0.000 0.752 106 E HN -0.358 7.713 8.360 -0.482 0.000 0.466 107 E N -0.066 120.037 120.200 -0.162 0.000 2.110 107 E HA -0.338 3.971 4.350 -0.069 0.000 0.193 107 E C 2.218 178.790 176.600 -0.047 0.000 0.988 107 E CA 3.011 59.368 56.400 -0.073 0.000 0.804 107 E CB -0.130 29.548 29.700 -0.037 0.000 0.745 107 E HN -0.524 7.713 8.360 -0.178 0.016 0.458 108 K N -0.448 119.932 120.400 -0.032 0.000 2.031 108 K HA -0.160 4.130 4.320 -0.051 0.000 0.205 108 K C 2.368 178.889 176.600 -0.132 0.000 1.049 108 K CA 1.920 58.167 56.287 -0.066 0.000 0.939 108 K CB -0.551 31.890 32.500 -0.097 0.000 0.717 108 K HN -0.897 7.347 8.250 -0.010 0.000 0.438 109 I N -1.597 118.846 120.570 -0.211 0.000 2.252 109 I HA -0.467 3.342 4.170 -0.601 0.000 0.245 109 I C 1.625 177.604 176.117 -0.231 0.000 1.102 109 I CA 4.095 65.133 61.300 -0.437 0.000 1.385 109 I CB -0.165 37.484 38.000 -0.585 0.000 1.064 109 I HN -0.213 7.894 8.210 -0.172 0.000 0.414 110 S N 0.123 115.763 115.700 -0.100 0.000 2.402 110 S HA -0.244 4.410 4.470 0.006 -0.180 0.229 110 S C 2.471 177.072 174.600 0.002 0.000 1.021 110 S CA 2.593 60.783 58.200 -0.018 0.000 0.974 110 S CB -0.191 63.012 63.200 0.005 0.000 0.800 110 S HN -0.060 8.189 8.310 -0.102 0.000 0.484 111 Q N 3.078 122.871 119.800 -0.012 0.000 2.135 111 Q HA -0.261 4.089 4.340 0.016 0.000 0.204 111 Q C 1.476 177.496 176.000 0.034 0.000 0.981 111 Q CA 2.549 58.357 55.803 0.009 0.000 0.856 111 Q CB -0.060 28.676 28.738 -0.003 0.000 0.902 111 Q HN -0.450 7.801 8.270 -0.032 0.000 0.425 112 R N -3.744 116.788 120.500 0.052 0.000 2.356 112 R HA 0.107 4.512 4.340 0.109 0.000 0.234 112 R C -0.151 176.263 176.300 0.191 0.000 0.929 112 R CA -1.693 54.490 56.100 0.139 0.000 1.084 112 R CB -0.172 30.284 30.300 0.259 0.000 1.105 112 R HN -0.568 7.585 8.270 0.016 0.126 0.515 113 G N -2.396 106.483 108.800 0.131 0.000 2.179 113 G HA2 -0.312 3.710 3.960 0.103 0.000 0.220 113 G HA3 -0.312 3.838 3.960 0.144 -0.103 0.220 113 G C -0.177 174.817 174.900 0.157 0.000 0.990 113 G CA -0.269 44.912 45.100 0.135 0.000 0.646 113 G HN -0.319 7.838 8.290 0.090 0.188 0.517 114 G N 0.403 109.293 108.800 0.150 0.000 2.483 114 G HA2 -0.003 4.232 3.960 0.213 0.000 0.248 114 G HA3 -0.003 4.008 3.960 0.086 0.000 0.248 114 G C -1.966 173.011 174.900 0.128 0.000 1.248 114 G CA -0.626 44.564 45.100 0.149 0.000 0.838 114 G HN -0.388 7.966 8.290 0.105 0.000 0.566 115 K N 3.664 124.158 120.400 0.158 0.000 2.293 115 K HA 0.325 4.732 4.320 0.146 0.000 0.267 115 K C -0.880 175.824 176.600 0.174 0.000 1.010 115 K CA -1.316 55.066 56.287 0.159 0.000 0.875 115 K CB 1.928 34.523 32.500 0.159 0.000 1.106 115 K HN -0.052 8.304 8.250 0.177 0.000 0.450 116 T N 10.113 124.771 114.554 0.173 0.000 2.870 116 T HA 0.489 5.184 4.350 0.189 -0.231 0.300 116 T C 0.010 174.766 174.700 0.093 0.000 0.989 116 T CA 0.655 62.837 62.100 0.138 0.000 1.139 116 T CB 0.289 69.173 68.868 0.025 0.000 0.920 116 T HN 0.378 8.723 8.240 0.174 0.000 0.537 117 V N 0.811 120.740 119.914 0.026 0.000 3.001 117 V HA 0.364 4.559 4.120 0.069 -0.034 0.314 117 V C -0.424 175.625 176.094 -0.074 0.000 1.099 117 V CA -2.923 59.364 62.300 -0.022 0.000 0.989 117 V CB 2.611 34.364 31.823 -0.118 0.000 1.040 117 V HN 0.138 8.359 8.190 0.052 0.000 0.434 118 G N 1.104 109.903 108.800 -0.000 0.000 2.140 118 G HA2 -0.379 3.713 3.960 0.088 0.000 0.211 118 G HA3 -0.379 3.667 3.960 0.144 0.000 0.211 118 G C -0.619 174.559 174.900 0.462 0.000 1.013 118 G CA 0.133 45.333 45.100 0.167 0.000 0.705 118 G HN -0.027 8.830 8.290 0.048 -0.539 0.508 119 Y N -0.863 119.651 120.300 0.358 0.000 2.702 119 Y HA -0.176 4.726 4.550 0.373 -0.128 0.336 119 Y C 0.220 176.411 175.900 0.485 0.000 1.235 119 Y CA 1.477 59.793 58.100 0.359 0.000 1.492 119 Y CB 0.497 39.083 38.460 0.211 0.000 1.308 119 Y HN -0.422 8.088 8.280 0.384 0.000 0.589 120 W N 4.873 126.397 121.300 0.374 0.000 2.883 120 W HA 0.282 5.122 4.660 0.300 0.000 0.335 120 W C -1.954 174.734 176.519 0.281 0.000 1.083 120 W CA -1.271 56.256 57.345 0.304 0.000 1.233 120 W CB 4.205 33.793 29.460 0.214 0.000 1.412 120 W HN 0.277 8.858 8.180 0.669 0.000 0.490 121 S N 5.561 121.033 115.700 -0.380 0.000 2.572 121 S HA -0.049 4.358 4.470 -0.106 0.000 0.279 121 S C 0.511 175.093 174.600 -0.030 0.000 1.341 121 S CA 0.766 58.827 58.200 -0.232 0.000 1.043 121 S CB 1.107 64.108 63.200 -0.332 0.000 0.887 121 S HN 0.391 8.240 8.310 -0.768 0.000 0.516 122 T N 0.330 114.883 114.554 -0.002 0.000 3.129 122 T HA 0.150 4.649 4.350 0.248 0.000 0.251 122 T C 0.121 175.049 174.700 0.379 0.000 1.117 122 T CA -0.085 62.094 62.100 0.133 0.000 1.034 122 T CB 0.132 68.939 68.868 -0.101 0.000 0.968 122 T HN 0.393 8.593 8.240 -0.066 0.000 0.526 123 D N 3.404 123.919 120.400 0.193 0.000 2.424 123 D HA -0.120 4.592 4.640 0.119 0.000 0.244 123 D C 0.945 177.336 176.300 0.151 0.000 1.134 123 D CA 1.961 56.039 54.000 0.131 0.000 0.881 123 D CB 0.219 41.024 40.800 0.010 0.000 1.191 123 D HN -0.624 7.726 8.370 0.083 0.070 0.445 124 G N 1.601 110.447 108.800 0.077 0.000 2.157 124 G HA2 -0.340 3.586 3.960 -0.057 0.000 0.239 124 G HA3 -0.340 3.521 3.960 -0.166 0.000 0.239 124 G C -1.262 173.518 174.900 -0.200 0.000 0.982 124 G CA 0.172 45.221 45.100 -0.085 0.000 0.650 124 G HN 0.400 8.745 8.290 0.092 0.000 0.527 125 Y N -2.010 118.425 120.300 0.225 0.000 2.485 125 Y HA 0.451 5.244 4.550 0.167 -0.142 0.345 125 Y C -1.082 174.963 175.900 0.241 0.000 0.998 125 Y CA -1.141 57.119 58.100 0.268 0.000 1.059 125 Y CB 2.369 41.131 38.460 0.502 0.000 1.234 125 Y HN -0.869 7.604 8.280 0.410 0.052 0.461 126 D N 4.207 124.784 120.400 0.295 0.000 2.454 126 D HA 0.271 4.965 4.640 0.089 0.000 0.247 126 D C -1.985 174.414 176.300 0.165 0.000 1.129 126 D CA -1.287 52.796 54.000 0.138 0.000 0.877 126 D CB 0.902 41.724 40.800 0.037 0.000 1.082 126 D HN 0.252 9.125 8.370 0.231 -0.364 0.537 127 F N 0.046 119.985 119.950 -0.017 0.000 2.711 127 F HA 0.445 4.936 4.527 -0.061 0.000 0.313 127 F C -2.320 173.499 175.800 0.031 0.000 1.141 127 F CA -1.974 56.014 58.000 -0.020 0.000 0.941 127 F CB 1.740 40.742 39.000 0.003 0.000 1.349 127 F HN -0.479 7.756 8.300 -0.108 0.000 0.464 128 N N -0.188 118.529 118.700 0.029 0.000 2.508 128 N HA 0.182 4.802 4.740 -0.199 0.000 0.186 128 N C -1.036 174.492 175.510 0.031 0.000 1.034 128 N CA 0.986 53.997 53.050 -0.065 0.000 0.885 128 N CB 1.544 40.038 38.487 0.012 0.000 1.135 128 N HN 0.510 8.921 8.380 0.234 0.109 0.435 129 D N -0.913 119.675 120.400 0.313 0.000 2.602 129 D HA 0.257 5.075 4.640 0.297 0.000 0.236 129 D C -2.475 174.090 176.300 0.442 0.000 1.209 129 D CA -0.644 53.549 54.000 0.322 0.000 0.831 129 D CB 3.550 44.450 40.800 0.166 0.000 1.478 129 D HN -0.193 8.408 8.370 0.386 0.000 0.438 130 S N -0.897 115.006 115.700 0.339 0.000 2.562 130 S HA 0.305 5.022 4.470 0.170 -0.145 0.274 130 S C 0.313 174.988 174.600 0.125 0.000 1.160 130 S CA -0.689 57.645 58.200 0.224 0.000 0.933 130 S CB 1.677 65.029 63.200 0.253 0.000 1.100 130 S HN 0.055 8.540 8.310 0.292 0.000 0.468 131 K N 6.422 126.848 120.400 0.043 0.000 2.525 131 K HA -0.102 4.234 4.320 0.026 0.000 0.192 131 K C 0.341 176.934 176.600 -0.011 0.000 1.029 131 K CA 1.491 57.782 56.287 0.008 0.000 1.029 131 K CB -0.090 32.391 32.500 -0.031 0.000 0.814 131 K HN 0.537 9.135 8.250 0.022 -0.336 0.503 132 A N -1.386 121.437 122.820 0.004 0.000 2.251 132 A HA 0.064 4.350 4.320 -0.056 0.000 0.209 132 A C -1.289 176.377 177.584 0.137 0.000 1.187 132 A CA -0.313 51.733 52.037 0.015 0.000 0.823 132 A CB 0.145 19.108 19.000 -0.062 0.000 0.846 132 A HN -0.258 7.827 8.150 0.017 0.075 0.486 133 L N -1.622 119.677 121.223 0.126 0.000 2.416 133 L HA 0.144 4.688 4.340 0.056 -0.170 0.272 133 L C 0.380 177.290 176.870 0.067 0.000 1.161 133 L CA 0.440 55.327 54.840 0.079 0.000 0.845 133 L CB 0.402 42.500 42.059 0.065 0.000 1.119 133 L HN -0.988 7.251 8.230 0.116 0.061 0.464 134 R N 4.178 124.720 120.500 0.071 0.000 2.576 134 R HA 0.214 4.582 4.340 0.046 0.000 0.283 134 R C -0.673 175.624 176.300 -0.005 0.000 1.493 134 R CA -1.879 54.259 56.100 0.063 0.000 1.170 134 R CB 0.059 30.460 30.300 0.168 0.000 1.189 134 R HN 0.557 8.867 8.270 0.066 0.000 0.542 135 N N 3.642 122.330 118.700 -0.020 0.000 2.725 135 N HA -0.301 4.418 4.740 -0.035 0.000 0.251 135 N C 0.078 175.556 175.510 -0.053 0.000 1.031 135 N CA 0.800 53.824 53.050 -0.043 0.000 0.720 135 N CB -0.918 37.528 38.487 -0.069 0.000 0.930 135 N HN 0.821 9.197 8.380 -0.007 0.000 0.543 136 G N -6.827 101.944 108.800 -0.049 0.000 2.176 136 G HA2 -0.428 3.491 3.960 -0.070 0.000 0.253 136 G HA3 -0.428 3.494 3.960 -0.063 0.000 0.253 136 G C -1.595 173.251 174.900 -0.090 0.000 0.979 136 G CA -0.019 45.041 45.100 -0.067 0.000 0.641 136 G HN 0.278 8.544 8.290 -0.039 0.000 0.530 137 K N -0.794 119.570 120.400 -0.060 0.000 2.350 137 K HA 0.498 4.773 4.320 -0.075 0.000 0.241 137 K C -1.440 175.177 176.600 0.028 0.000 0.994 137 K CA -1.653 54.623 56.287 -0.017 0.000 0.839 137 K CB 3.409 35.964 32.500 0.092 0.000 1.244 137 K HN -0.817 7.348 8.250 -0.037 0.062 0.443 138 F N -0.654 119.392 119.950 0.160 0.000 2.389 138 F HA 0.180 4.890 4.527 0.040 -0.159 0.337 138 F C 1.989 177.903 175.800 0.190 0.000 1.112 138 F CA 0.252 58.312 58.000 0.101 0.000 1.192 138 F CB 0.597 39.610 39.000 0.021 0.000 1.185 138 F HN 0.475 8.878 8.300 0.171 0.000 0.552 139 V N 1.771 121.851 119.914 0.277 0.000 2.867 139 V HA -0.281 3.890 4.120 0.084 0.000 0.260 139 V C -1.047 175.036 176.094 -0.019 0.000 1.099 139 V CA 1.039 63.363 62.300 0.040 0.000 1.122 139 V CB 0.206 31.930 31.823 -0.165 0.000 0.708 139 V HN 0.088 8.426 8.190 0.246 0.000 0.490 140 G N -4.568 104.286 108.800 0.090 0.000 2.570 140 G HA2 0.054 4.389 3.960 0.280 0.000 0.310 140 G HA3 0.054 4.293 3.960 0.140 -0.195 0.310 140 G C -2.211 172.553 174.900 -0.226 0.000 1.266 140 G CA -0.946 44.217 45.100 0.104 0.000 0.825 140 G HN -0.962 7.344 8.290 0.089 0.037 0.483 141 L N 0.637 121.368 121.223 -0.819 0.000 2.477 141 L HA 0.078 3.528 4.340 -1.483 0.000 0.272 141 L C -1.512 174.856 176.870 -0.836 0.000 1.157 141 L CA 0.125 54.160 54.840 -1.342 0.000 0.889 141 L CB 1.460 42.173 42.059 -2.244 0.000 1.158 141 L HN -0.203 7.488 8.230 -0.899 0.000 0.473 142 A N 6.889 129.270 122.820 -0.731 0.000 2.249 142 A HA 0.346 4.246 4.320 -0.699 0.000 0.314 142 A C -1.814 175.634 177.584 -0.227 0.000 1.290 142 A CA -1.435 50.207 52.037 -0.657 0.000 0.893 142 A CB 0.598 18.863 19.000 -1.225 0.000 1.165 142 A HN 0.063 7.782 8.150 -0.719 0.000 0.530 143 L N 2.192 123.302 121.223 -0.189 0.000 2.331 143 L HA 0.208 4.571 4.340 0.038 0.000 0.275 143 L C -1.668 175.244 176.870 0.069 0.000 1.022 143 L CA -0.670 54.154 54.840 -0.028 0.000 0.812 143 L CB 2.472 44.487 42.059 -0.073 0.000 1.257 143 L HN 0.238 8.304 8.230 -0.273 0.000 0.435 144 D N 0.505 120.987 120.400 0.137 0.000 2.358 144 D HA 0.293 5.180 4.640 0.143 -0.162 0.253 144 D C -0.362 175.985 176.300 0.079 0.000 1.288 144 D CA -1.567 52.526 54.000 0.155 0.000 0.950 144 D CB 0.989 41.940 40.800 0.252 0.000 1.197 144 D HN 0.439 8.881 8.370 0.120 0.000 0.550 145 E N 3.588 123.819 120.200 0.051 0.000 2.435 145 E HA -0.084 4.283 4.350 0.029 0.000 0.195 145 E C 0.426 177.046 176.600 0.033 0.000 1.029 145 E CA 1.602 58.022 56.400 0.034 0.000 0.865 145 E CB 0.076 29.793 29.700 0.028 0.000 0.833 145 E HN 0.391 8.779 8.360 0.047 0.000 0.510 146 D N -1.316 119.108 120.400 0.039 0.000 2.183 146 D HA -0.050 4.608 4.640 0.031 0.000 0.205 146 D C 0.768 177.085 176.300 0.029 0.000 0.962 146 D CA 2.367 56.388 54.000 0.034 0.000 0.849 146 D CB 0.531 41.355 40.800 0.039 0.000 0.978 146 D HN -0.443 8.043 8.370 0.048 -0.087 0.488 147 N N -2.433 116.286 118.700 0.031 0.000 2.382 147 N HA 0.126 4.873 4.740 0.011 0.000 0.200 147 N C -0.144 175.373 175.510 0.012 0.000 1.122 147 N CA 0.880 53.940 53.050 0.016 0.000 0.870 147 N CB 1.994 40.485 38.487 0.006 0.000 1.176 147 N HN -0.146 8.576 8.380 0.043 -0.315 0.474 148 Q N -0.271 119.543 119.800 0.022 0.000 2.215 148 Q HA 0.320 4.660 4.340 0.000 0.000 0.337 148 Q C 0.194 176.202 176.000 0.014 0.000 0.887 148 Q CA -0.956 54.854 55.803 0.011 0.000 1.134 148 Q CB 0.754 29.495 28.738 0.005 0.000 1.303 148 Q HN -0.373 7.918 8.270 0.035 0.000 0.421 149 S N 2.304 118.012 115.700 0.014 0.000 2.400 149 S HA -0.264 4.356 4.470 0.012 -0.143 0.232 149 S C 1.416 176.018 174.600 0.004 0.000 1.025 149 S CA 2.751 60.958 58.200 0.010 0.000 0.993 149 S CB -0.645 62.562 63.200 0.011 0.000 0.808 149 S HN 0.368 8.687 8.310 0.015 0.000 0.478 150 D N 0.749 121.151 120.400 0.003 0.000 2.310 150 D HA -0.084 4.557 4.640 0.001 0.000 0.212 150 D C 0.964 177.265 176.300 0.002 0.000 0.965 150 D CA 2.012 56.013 54.000 0.001 0.000 0.879 150 D CB -0.749 40.051 40.800 -0.000 0.000 0.921 150 D HN 0.222 8.561 8.370 0.003 0.033 0.510 151 L N -3.890 117.335 121.223 0.003 0.000 2.529 151 L HA 0.196 4.544 4.340 0.013 0.000 0.223 151 L C 1.080 177.957 176.870 0.012 0.000 1.113 151 L CA 0.271 55.117 54.840 0.010 0.000 0.861 151 L CB 0.057 42.117 42.059 0.002 0.000 1.012 151 L HN -0.502 7.575 8.230 0.001 0.154 0.461 152 T N 2.905 117.458 114.554 -0.002 0.000 2.684 152 T HA -0.418 3.912 4.350 -0.034 0.000 0.267 152 T C 1.229 175.909 174.700 -0.034 0.000 1.036 152 T CA 6.122 68.207 62.100 -0.025 0.000 1.148 152 T CB -0.411 68.439 68.868 -0.029 0.000 0.863 152 T HN -0.576 7.612 8.240 -0.001 0.051 0.436 153 D N -0.512 119.877 120.400 -0.019 0.000 2.117 153 D HA -0.237 4.384 4.640 -0.032 0.000 0.197 153 D C 1.776 178.075 176.300 -0.002 0.000 0.987 153 D CA 3.791 57.780 54.000 -0.018 0.000 0.829 153 D CB -0.757 40.037 40.800 -0.011 0.000 0.961 153 D HN 0.285 8.647 8.370 -0.013 0.000 0.460 154 D N -0.461 119.951 120.400 0.019 0.000 2.117 154 D HA -0.236 4.429 4.640 0.041 0.000 0.197 154 D C 2.306 178.659 176.300 0.087 0.000 0.987 154 D CA 3.353 57.383 54.000 0.049 0.000 0.829 154 D CB -0.390 40.444 40.800 0.057 0.000 0.961 154 D HN 0.096 8.476 8.370 0.017 0.000 0.460 155 R N -0.315 120.233 120.500 0.079 0.000 2.073 155 R HA -0.289 4.220 4.340 0.282 0.000 0.234 155 R C 2.599 178.861 176.300 -0.065 0.000 1.134 155 R CA 3.388 59.537 56.100 0.081 0.000 0.952 155 R CB 0.006 30.302 30.300 -0.007 0.000 0.850 155 R HN -0.565 7.737 8.270 0.054 0.000 0.433 156 I N -0.020 120.501 120.570 -0.082 0.000 2.179 156 I HA -0.548 3.580 4.170 -0.070 0.000 0.242 156 I C 1.675 177.795 176.117 0.005 0.000 1.088 156 I CA 4.129 65.393 61.300 -0.059 0.000 1.357 156 I CB -0.429 37.520 38.000 -0.086 0.000 1.051 156 I HN -0.024 8.143 8.210 -0.072 0.000 0.409 157 K N -0.219 120.183 120.400 0.005 0.000 2.032 157 K HA -0.352 3.940 4.320 -0.046 0.000 0.209 157 K C 2.733 179.352 176.600 0.033 0.000 1.048 157 K CA 3.572 59.856 56.287 -0.004 0.000 0.927 157 K CB -0.251 32.253 32.500 0.006 0.000 0.712 157 K HN -0.232 8.020 8.250 0.004 0.000 0.441 158 S N -0.436 115.341 115.700 0.128 0.000 2.356 158 S HA -0.220 4.342 4.470 0.154 0.000 0.223 158 S C 1.720 176.480 174.600 0.266 0.000 1.032 158 S CA 3.566 61.900 58.200 0.224 0.000 1.005 158 S CB -0.301 63.127 63.200 0.380 0.000 0.867 158 S HN -0.536 7.857 8.310 0.139 0.000 0.449 159 W N 3.003 124.306 121.300 0.006 0.000 2.388 159 W HA -0.145 4.578 4.660 0.106 0.000 0.294 159 W C 1.914 178.353 176.519 -0.134 0.000 1.212 159 W CA 3.794 61.099 57.345 -0.067 0.000 1.271 159 W CB -0.012 29.234 29.460 -0.356 0.000 1.126 159 W HN -0.212 8.129 8.180 0.269 0.000 0.535 160 V N 0.007 119.828 119.914 -0.154 0.000 2.343 160 V HA -0.645 3.043 4.120 -0.719 0.000 0.247 160 V C 1.938 177.760 176.094 -0.453 0.000 1.051 160 V CA 4.549 66.527 62.300 -0.537 0.000 1.036 160 V CB -0.690 30.735 31.823 -0.664 0.000 0.654 160 V HN -0.054 8.125 8.190 -0.018 0.000 0.451 161 A N -1.381 121.300 122.820 -0.232 0.000 1.908 161 A HA -0.459 3.757 4.320 -0.174 0.000 0.218 161 A C 1.376 178.878 177.584 -0.138 0.000 1.181 161 A CA 3.460 55.407 52.037 -0.150 0.000 0.627 161 A CB -0.782 18.181 19.000 -0.062 0.000 0.818 161 A HN -0.647 7.407 8.150 -0.160 0.000 0.445 162 Q N -1.109 118.618 119.800 -0.122 0.000 2.079 162 Q HA -0.280 4.017 4.340 -0.072 0.000 0.200 162 Q C 2.377 178.218 176.000 -0.264 0.000 0.974 162 Q CA 2.886 58.616 55.803 -0.121 0.000 0.840 162 Q CB -0.012 28.718 28.738 -0.014 0.000 0.898 162 Q HN -0.799 7.420 8.270 -0.085 0.000 0.430 163 L N -1.365 119.591 121.223 -0.445 0.000 2.083 163 L HA -0.305 3.587 4.340 -0.747 0.000 0.209 163 L C 2.543 179.218 176.870 -0.324 0.000 1.083 163 L CA 2.860 57.343 54.840 -0.595 0.000 0.752 163 L CB -0.421 41.227 42.059 -0.685 0.000 0.899 163 L HN -0.146 7.792 8.230 -0.487 0.000 0.433 164 K N -1.655 118.654 120.400 -0.153 0.000 2.147 164 K HA -0.382 4.039 4.320 0.169 0.000 0.205 164 K C 2.401 178.986 176.600 -0.026 0.000 1.049 164 K CA 3.727 60.023 56.287 0.014 0.000 0.936 164 K CB -0.541 31.951 32.500 -0.013 0.000 0.722 164 K HN -0.162 7.951 8.250 -0.229 0.000 0.446 165 S N -1.006 114.645 115.700 -0.082 0.000 2.371 165 S HA -0.174 4.281 4.470 -0.025 0.000 0.224 165 S C 2.539 177.094 174.600 -0.075 0.000 1.029 165 S CA 2.872 61.039 58.200 -0.056 0.000 0.978 165 S CB -0.508 62.660 63.200 -0.054 0.000 0.833 165 S HN -0.565 7.670 8.310 -0.111 0.009 0.466 166 E N 1.169 121.268 120.200 -0.168 0.000 2.274 166 E HA -0.220 4.073 4.350 -0.096 0.000 0.194 166 E C 1.804 178.305 176.600 -0.166 0.000 0.996 166 E CA 2.450 58.736 56.400 -0.191 0.000 0.840 166 E CB 0.085 29.618 29.700 -0.278 0.000 0.772 166 E HN -0.639 7.588 8.360 -0.221 0.000 0.491 167 F N -3.861 115.945 119.950 -0.241 0.000 2.765 167 F HA 0.098 4.256 4.527 -0.615 0.000 0.302 167 F C 0.218 175.796 175.800 -0.370 0.000 1.111 167 F CA -0.983 56.700 58.000 -0.528 0.000 1.359 167 F CB -0.017 38.538 39.000 -0.741 0.000 1.097 167 F HN -0.444 7.710 8.300 -0.201 0.025 0.577 168 G N -0.518 108.290 108.800 0.014 0.000 2.221 168 G HA2 -0.466 3.521 3.960 0.045 0.000 0.265 168 G HA3 -0.466 3.539 3.960 0.075 0.000 0.265 168 G C -0.519 174.424 174.900 0.071 0.000 1.041 168 G CA 0.531 45.662 45.100 0.051 0.000 0.807 168 G HN -0.659 7.454 8.290 0.002 0.178 0.502 169 L N 0.000 121.266 121.223 0.072 0.000 2.949 169 L HA 0.000 4.404 4.340 0.107 0.000 0.249 169 L CA 0.000 54.897 54.840 0.095 0.000 0.813 169 L CB 0.000 42.137 42.059 0.130 0.000 0.961 169 L HN 0.000 8.270 8.230 0.067 0.000 0.502