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 2k07_1_A DATA FIRST_RESID 1 DATA SEQUENCE MADEATRRVV SEIPVLKTNA GPRDRELWVQ RLKEEYQSLI RYVENNKNAD DATA SEQUENCE NDWFRLESNK EGTRWFGKCW YIHDLLKYEF DIEFDIPITY PTTAPEIAVP DATA SEQUENCE ELDGKTAKMY RGGKICLTDH FKPLWARNVP KFGLAHLMAL GLGPWLAVEI DATA SEQUENCE PDLIQKGVIQ HKEKCNQLEH HHHHH 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 M HA 0.000 4.486 4.480 0.010 0.000 0.227 1 M C 0.000 176.308 176.300 0.013 0.000 1.140 1 M CA 0.000 55.306 55.300 0.011 0.000 0.988 1 M CB 0.000 32.606 32.600 0.011 0.000 1.302 2 A N -0.134 122.694 122.820 0.014 0.000 2.806 2 A HA 0.287 4.617 4.320 0.017 0.000 0.254 2 A C -1.026 176.570 177.584 0.020 0.000 1.437 2 A CA -0.539 51.508 52.037 0.017 0.000 0.903 2 A CB 1.149 20.158 19.000 0.016 0.000 1.609 2 A HN -0.142 8.015 8.150 0.012 0.000 0.505 3 D N -3.091 117.325 120.400 0.026 0.000 3.041 3 D HA -0.318 4.345 4.640 0.038 0.000 0.220 3 D C -0.002 176.320 176.300 0.036 0.000 1.157 3 D CA 0.995 55.015 54.000 0.033 0.000 0.876 3 D CB -0.076 40.742 40.800 0.031 0.000 1.107 3 D HN 0.149 8.535 8.370 0.026 0.000 0.422 4 E N -1.498 118.721 120.200 0.031 0.000 2.106 4 E HA -0.327 4.039 4.350 0.026 0.000 0.192 4 E C 0.993 177.615 176.600 0.038 0.000 0.984 4 E CA 2.662 59.080 56.400 0.030 0.000 0.806 4 E CB -0.602 29.112 29.700 0.024 0.000 0.750 4 E HN 0.376 8.723 8.360 0.029 0.031 0.458 5 A N -1.089 121.757 122.820 0.044 0.000 1.908 5 A HA -0.216 4.134 4.320 0.050 0.000 0.218 5 A C 2.213 179.838 177.584 0.068 0.000 1.181 5 A CA 3.194 55.264 52.037 0.054 0.000 0.627 5 A CB -0.921 18.113 19.000 0.058 0.000 0.818 5 A HN 0.147 8.322 8.150 0.042 0.000 0.445 6 T N 0.436 115.033 114.554 0.071 0.000 2.684 6 T HA -0.447 3.966 4.350 0.105 0.000 0.267 6 T C 2.116 176.859 174.700 0.072 0.000 1.036 6 T CA 5.219 67.369 62.100 0.083 0.000 1.148 6 T CB -0.507 68.408 68.868 0.079 0.000 0.863 6 T HN -0.018 8.260 8.240 0.064 0.000 0.436 7 R N 0.325 120.857 120.500 0.053 0.000 2.148 7 R HA -0.279 4.084 4.340 0.038 0.000 0.227 7 R C 2.484 178.807 176.300 0.038 0.000 1.103 7 R CA 3.185 59.308 56.100 0.038 0.000 0.983 7 R CB -0.380 29.934 30.300 0.023 0.000 0.874 7 R HN -0.661 7.638 8.270 0.049 0.000 0.451 8 R N -0.239 120.288 120.500 0.045 0.000 2.070 8 R HA -0.309 4.051 4.340 0.033 0.000 0.233 8 R C 2.590 178.927 176.300 0.061 0.000 1.137 8 R CA 3.289 59.416 56.100 0.045 0.000 0.945 8 R CB -0.184 30.143 30.300 0.046 0.000 0.845 8 R HN -0.116 8.074 8.270 0.047 0.108 0.430 9 V N -0.245 119.719 119.914 0.084 0.000 2.343 9 V HA -0.368 4.003 4.120 0.115 -0.183 0.247 9 V C 2.711 178.872 176.094 0.111 0.000 1.051 9 V CA 3.382 65.754 62.300 0.120 0.000 1.036 9 V CB -0.074 31.854 31.823 0.175 0.000 0.654 9 V HN -0.315 7.926 8.190 0.084 0.000 0.451 10 V N -0.000 119.962 119.914 0.081 0.000 2.490 10 V HA -0.401 3.749 4.120 0.050 0.000 0.250 10 V C 2.313 178.445 176.094 0.064 0.000 1.061 10 V CA 3.645 65.984 62.300 0.065 0.000 1.064 10 V CB -1.389 30.467 31.823 0.055 0.000 0.670 10 V HN 0.026 8.263 8.190 0.079 0.000 0.461 11 S N -1.247 114.479 115.700 0.043 0.000 2.447 11 S HA -0.258 4.218 4.470 0.010 0.000 0.233 11 S C 0.765 175.388 174.600 0.039 0.000 1.006 11 S CA 2.827 61.042 58.200 0.026 0.000 0.957 11 S CB -0.506 62.702 63.200 0.014 0.000 0.773 11 S HN -0.296 7.923 8.310 0.045 0.117 0.507 12 E N -1.708 118.525 120.200 0.057 0.000 2.502 12 E HA -0.082 4.295 4.350 0.044 0.000 0.194 12 E C -0.226 176.410 176.600 0.061 0.000 1.062 12 E CA 0.120 56.556 56.400 0.059 0.000 0.867 12 E CB 0.529 30.274 29.700 0.074 0.000 0.888 12 E HN -0.675 7.556 8.360 0.067 0.169 0.510 13 I N 1.058 121.665 120.570 0.061 0.000 2.377 13 I HA 0.317 4.490 4.170 0.005 0.000 0.282 13 I C -2.430 173.752 176.117 0.108 0.000 1.091 13 I CA -2.996 58.319 61.300 0.025 0.000 1.207 13 I CB 0.223 38.168 38.000 -0.091 0.000 1.429 13 I HN -0.647 7.399 8.210 0.071 0.207 0.491 14 P HA -0.080 4.367 4.420 0.045 0.000 0.266 14 P C -1.090 176.290 177.300 0.133 0.000 1.186 14 P CA -0.176 62.964 63.100 0.066 0.000 0.767 14 P CB 0.197 31.913 31.700 0.027 0.000 0.820 15 V N -4.225 115.718 119.914 0.048 0.000 2.686 15 V HA -0.058 4.129 4.120 0.112 0.000 0.295 15 V C -0.513 175.585 176.094 0.005 0.000 1.055 15 V CA -0.942 61.353 62.300 -0.009 0.000 1.050 15 V CB 0.879 32.585 31.823 -0.195 0.000 0.984 15 V HN -0.267 7.919 8.190 -0.006 0.000 0.482 16 L N 4.330 125.567 121.223 0.022 0.000 2.331 16 L HA 0.007 4.353 4.340 0.010 0.000 0.278 16 L C 0.786 177.634 176.870 -0.036 0.000 1.106 16 L CA 0.076 54.919 54.840 0.004 0.000 0.824 16 L CB 0.384 42.458 42.059 0.025 0.000 1.142 16 L HN 0.037 8.298 8.230 0.051 0.000 0.443 17 K N 3.704 124.089 120.400 -0.025 0.000 2.358 17 K HA 0.143 4.431 4.320 -0.052 0.000 0.200 17 K C 0.104 176.694 176.600 -0.017 0.000 1.030 17 K CA 1.277 57.544 56.287 -0.033 0.000 1.097 17 K CB -0.048 32.434 32.500 -0.030 0.000 0.862 17 K HN 0.109 8.589 8.250 -0.012 -0.238 0.534 18 T N 1.158 115.710 114.554 -0.002 0.000 2.866 18 T HA -0.112 4.246 4.350 0.014 0.000 0.250 18 T C -0.197 174.518 174.700 0.024 0.000 1.033 18 T CA 1.444 63.553 62.100 0.015 0.000 1.145 18 T CB 0.547 69.430 68.868 0.026 0.000 0.866 18 T HN -0.752 7.770 8.240 -0.002 -0.283 0.434 19 N N -0.008 118.707 118.700 0.024 0.000 2.556 19 N HA -0.439 4.319 4.740 0.030 0.000 0.288 19 N C -1.844 173.708 175.510 0.070 0.000 1.226 19 N CA 0.883 53.951 53.050 0.029 0.000 0.719 19 N CB -0.377 38.104 38.487 -0.009 0.000 0.923 19 N HN -0.053 8.338 8.380 0.018 0.000 0.544 20 A N 1.782 124.684 122.820 0.136 0.000 2.485 20 A HA 0.218 4.622 4.320 0.140 0.000 0.292 20 A C -2.070 175.714 177.584 0.333 0.000 1.147 20 A CA -1.196 50.959 52.037 0.198 0.000 0.750 20 A CB 3.650 22.777 19.000 0.211 0.000 1.331 20 A HN -0.131 8.106 8.150 0.146 0.000 0.419 21 G N -3.498 105.467 108.800 0.275 0.000 2.552 21 G HA2 0.266 4.552 3.960 0.388 0.000 0.318 21 G HA3 0.266 4.308 3.960 0.137 0.000 0.318 21 G C -1.618 173.335 174.900 0.089 0.000 1.240 21 G CA -2.260 42.990 45.100 0.250 0.000 1.002 21 G HN -0.011 8.393 8.290 0.191 0.000 0.493 22 P HA 0.077 3.455 4.420 -1.738 0.000 0.247 22 P C -0.226 176.831 177.300 -0.404 0.000 1.225 22 P CA 0.365 62.910 63.100 -0.925 0.000 0.768 22 P CB 0.089 31.243 31.700 -0.911 0.000 1.020 23 R N -3.270 117.134 120.500 -0.160 0.000 2.066 23 R HA -0.013 4.268 4.340 -0.097 0.000 0.224 23 R C 0.006 176.295 176.300 -0.018 0.000 1.122 23 R CA 0.706 56.762 56.100 -0.074 0.000 0.974 23 R CB -0.069 30.215 30.300 -0.027 0.000 0.871 23 R HN -0.161 7.935 8.270 -0.099 0.115 0.435 24 D N 0.635 121.060 120.400 0.042 0.000 2.468 24 D HA 0.100 4.777 4.640 0.062 0.000 0.218 24 D C -0.172 176.227 176.300 0.164 0.000 1.155 24 D CA -1.120 52.933 54.000 0.089 0.000 0.924 24 D CB 0.503 41.364 40.800 0.101 0.000 1.029 24 D HN -0.533 7.872 8.370 0.058 0.000 0.515 25 R N 4.655 125.235 120.500 0.132 0.000 2.127 25 R HA -0.427 4.109 4.340 0.326 0.000 0.238 25 R C 1.900 178.350 176.300 0.250 0.000 1.134 25 R CA 3.597 59.830 56.100 0.222 0.000 0.975 25 R CB 0.014 30.396 30.300 0.137 0.000 0.865 25 R HN -0.052 8.263 8.270 0.076 0.000 0.447 26 E N 0.839 121.135 120.200 0.161 0.000 2.031 26 E HA -0.218 4.201 4.350 0.114 0.000 0.193 26 E C 2.503 179.184 176.600 0.135 0.000 0.994 26 E CA 2.984 59.458 56.400 0.124 0.000 0.800 26 E CB -0.428 29.323 29.700 0.084 0.000 0.752 26 E HN -0.369 8.105 8.360 0.129 -0.036 0.447 27 L N -1.420 119.894 121.223 0.151 0.000 2.217 27 L HA -0.224 4.174 4.340 0.098 0.000 0.211 27 L C 1.856 178.847 176.870 0.200 0.000 1.107 27 L CA 2.443 57.369 54.840 0.143 0.000 0.783 27 L CB -0.404 41.733 42.059 0.129 0.000 0.919 27 L HN 0.234 8.982 8.230 0.148 -0.429 0.442 28 W N 0.521 121.865 121.300 0.073 0.000 2.355 28 W HA -0.374 4.355 4.660 0.116 0.000 0.309 28 W C 1.354 177.939 176.519 0.109 0.000 1.206 28 W CA 3.181 60.587 57.345 0.102 0.000 1.284 28 W CB 0.413 29.935 29.460 0.102 0.000 1.145 28 W HN 0.599 8.823 8.180 0.394 0.192 0.502 29 V N -1.745 118.220 119.914 0.085 0.000 2.490 29 V HA -0.576 3.446 4.120 -0.162 0.000 0.250 29 V C 2.447 178.504 176.094 -0.063 0.000 1.061 29 V CA 3.952 66.229 62.300 -0.040 0.000 1.064 29 V CB -0.948 30.911 31.823 0.059 0.000 0.670 29 V HN 0.241 8.480 8.190 0.267 0.111 0.461 30 Q N -1.085 118.709 119.800 -0.011 0.000 2.046 30 Q HA -0.320 4.014 4.340 -0.010 0.000 0.200 30 Q C 2.363 178.342 176.000 -0.034 0.000 0.975 30 Q CA 3.492 59.290 55.803 -0.009 0.000 0.836 30 Q CB -0.290 28.460 28.738 0.021 0.000 0.896 30 Q HN -0.648 7.531 8.270 0.039 0.114 0.428 31 R N 0.245 120.713 120.500 -0.053 0.000 2.120 31 R HA -0.230 4.329 4.340 -0.022 -0.232 0.234 31 R C 2.569 178.799 176.300 -0.117 0.000 1.123 31 R CA 3.043 59.103 56.100 -0.067 0.000 0.975 31 R CB 0.022 30.296 30.300 -0.045 0.000 0.866 31 R HN 0.003 8.256 8.270 -0.027 0.000 0.446 32 L N -0.942 120.134 121.223 -0.244 0.000 2.012 32 L HA -0.179 4.083 4.340 -0.131 0.000 0.210 32 L C 1.574 178.484 176.870 0.067 0.000 1.073 32 L CA 3.552 58.292 54.840 -0.166 0.000 0.748 32 L CB -0.528 41.340 42.059 -0.319 0.000 0.891 32 L HN 0.442 8.379 8.230 -0.318 0.102 0.431 33 K N -2.776 117.628 120.400 0.007 0.000 2.155 33 K HA -0.303 4.064 4.320 0.078 0.000 0.203 33 K C 2.262 178.909 176.600 0.078 0.000 1.052 33 K CA 3.206 59.519 56.287 0.045 0.000 0.948 33 K CB -0.559 31.935 32.500 -0.010 0.000 0.728 33 K HN -0.579 7.642 8.250 -0.048 0.000 0.448 34 E N 0.598 120.822 120.200 0.041 0.000 2.051 34 E HA -0.379 3.991 4.350 0.033 0.000 0.192 34 E C 2.259 178.887 176.600 0.047 0.000 0.991 34 E CA 3.261 59.682 56.400 0.035 0.000 0.799 34 E CB -0.373 29.336 29.700 0.016 0.000 0.748 34 E HN -0.252 8.116 8.360 0.014 0.000 0.449 35 E N 0.346 120.580 120.200 0.057 0.000 2.072 35 E HA -0.287 4.048 4.350 -0.025 0.000 0.191 35 E C 2.309 178.950 176.600 0.067 0.000 0.985 35 E CA 2.765 59.184 56.400 0.032 0.000 0.801 35 E CB -0.050 29.671 29.700 0.035 0.000 0.750 35 E HN 0.173 8.454 8.360 0.052 0.110 0.452 36 Y N 0.108 120.455 120.300 0.079 0.000 2.145 36 Y HA -0.504 4.154 4.550 0.180 0.000 0.286 36 Y C 2.386 178.319 175.900 0.054 0.000 1.145 36 Y CA 4.381 62.547 58.100 0.110 0.000 1.148 36 Y CB 0.087 38.604 38.460 0.094 0.000 0.981 36 Y HN 0.270 8.648 8.280 0.339 0.106 0.507 37 Q N -2.082 117.832 119.800 0.190 0.000 2.124 37 Q HA -0.377 4.033 4.340 0.118 0.000 0.202 37 Q C 2.900 178.933 176.000 0.055 0.000 0.977 37 Q CA 3.051 58.916 55.803 0.105 0.000 0.850 37 Q CB -0.876 27.904 28.738 0.069 0.000 0.901 37 Q HN -0.066 8.320 8.270 0.194 0.000 0.429 38 S N 1.085 116.795 115.700 0.017 0.000 2.382 38 S HA -0.295 4.157 4.470 -0.030 0.000 0.228 38 S C 2.199 176.787 174.600 -0.019 0.000 1.027 38 S CA 4.183 62.356 58.200 -0.045 0.000 0.991 38 S CB -0.464 62.644 63.200 -0.152 0.000 0.823 38 S HN -0.289 7.950 8.310 0.025 0.086 0.469 39 L N 1.275 122.494 121.223 -0.007 0.000 2.027 39 L HA -0.365 4.052 4.340 0.129 0.000 0.206 39 L C 1.721 178.611 176.870 0.032 0.000 1.074 39 L CA 3.326 58.194 54.840 0.047 0.000 0.745 39 L CB -0.336 41.713 42.059 -0.016 0.000 0.898 39 L HN -0.183 7.951 8.230 -0.016 0.086 0.433 40 I N -1.382 119.206 120.570 0.029 0.000 2.226 40 I HA -0.585 3.572 4.170 -0.022 0.000 0.245 40 I C 1.789 177.922 176.117 0.027 0.000 1.100 40 I CA 4.224 65.538 61.300 0.023 0.000 1.374 40 I CB -0.412 37.629 38.000 0.067 0.000 1.057 40 I HN 0.277 8.520 8.210 0.054 0.000 0.413 41 R N -0.065 120.465 120.500 0.049 0.000 2.083 41 R HA -0.386 3.977 4.340 0.039 0.000 0.237 41 R C 1.722 178.071 176.300 0.082 0.000 1.137 41 R CA 2.479 58.612 56.100 0.055 0.000 0.951 41 R CB -1.053 29.279 30.300 0.053 0.000 0.851 41 R HN 0.254 8.445 8.270 0.051 0.109 0.434 42 Y N 0.026 120.303 120.300 -0.039 0.000 2.163 42 Y HA -0.324 4.210 4.550 -0.027 0.000 0.288 42 Y C 1.851 177.738 175.900 -0.021 0.000 1.136 42 Y CA 3.214 61.292 58.100 -0.036 0.000 1.147 42 Y CB 0.026 38.453 38.460 -0.054 0.000 0.987 42 Y HN -0.398 7.993 8.280 0.184 0.000 0.509 43 V N -0.666 119.209 119.914 -0.065 0.000 2.295 43 V HA -0.585 3.417 4.120 -0.196 0.000 0.246 43 V C 2.093 178.132 176.094 -0.092 0.000 1.049 43 V CA 4.594 66.798 62.300 -0.161 0.000 1.024 43 V CB -0.894 30.786 31.823 -0.238 0.000 0.648 43 V HN 0.168 8.370 8.190 0.019 0.000 0.447 44 E N 0.368 120.538 120.200 -0.050 0.000 2.038 44 E HA -0.486 3.856 4.350 -0.012 0.000 0.195 44 E C 2.111 178.693 176.600 -0.029 0.000 1.000 44 E CA 3.654 60.042 56.400 -0.021 0.000 0.803 44 E CB -0.062 29.637 29.700 -0.002 0.000 0.750 44 E HN 0.442 8.672 8.360 -0.036 0.108 0.448 45 N N -1.236 117.439 118.700 -0.042 0.000 2.094 45 N HA -0.302 4.430 4.740 -0.013 0.000 0.191 45 N C 2.251 177.720 175.510 -0.068 0.000 1.023 45 N CA 2.999 56.023 53.050 -0.042 0.000 0.857 45 N CB -0.136 38.333 38.487 -0.030 0.000 1.013 45 N HN -0.035 8.325 8.380 -0.033 0.000 0.426 46 N N -0.095 118.523 118.700 -0.137 0.000 2.142 46 N HA -0.240 4.462 4.740 -0.064 0.000 0.186 46 N C 2.027 177.536 175.510 -0.001 0.000 1.023 46 N CA 2.881 55.882 53.050 -0.082 0.000 0.852 46 N CB -0.108 38.322 38.487 -0.095 0.000 0.998 46 N HN 0.030 8.200 8.380 -0.201 0.090 0.424 47 K N 0.101 120.503 120.400 0.003 0.000 2.147 47 K HA -0.335 4.014 4.320 0.047 0.000 0.205 47 K C 2.430 179.040 176.600 0.017 0.000 1.049 47 K CA 3.279 59.582 56.287 0.026 0.000 0.936 47 K CB -0.190 32.327 32.500 0.028 0.000 0.722 47 K HN 0.129 8.292 8.250 -0.021 0.074 0.446 48 N N -0.393 118.311 118.700 0.007 0.000 2.166 48 N HA -0.215 4.532 4.740 0.010 0.000 0.186 48 N C 1.288 176.804 175.510 0.011 0.000 1.019 48 N CA 2.529 55.585 53.050 0.009 0.000 0.856 48 N CB -0.534 37.957 38.487 0.006 0.000 0.993 48 N HN 0.072 8.437 8.380 -0.002 0.014 0.426 49 A N -2.945 119.882 122.820 0.012 0.000 2.238 49 A HA 0.033 4.362 4.320 0.015 0.000 0.208 49 A C -0.617 176.977 177.584 0.016 0.000 1.177 49 A CA 0.066 52.112 52.037 0.016 0.000 0.804 49 A CB -0.234 18.780 19.000 0.022 0.000 0.823 49 A HN -0.485 7.556 8.150 0.007 0.113 0.482 50 D N -5.013 115.398 120.400 0.019 0.000 3.077 50 D HA -0.397 4.340 4.640 0.021 -0.084 0.212 50 D C -1.424 174.891 176.300 0.025 0.000 1.125 50 D CA 1.264 55.275 54.000 0.018 0.000 0.970 50 D CB -0.852 39.952 40.800 0.007 0.000 1.110 50 D HN -0.200 7.948 8.370 0.019 0.233 0.419 51 N N -0.782 117.943 118.700 0.042 0.000 2.706 51 N HA 0.134 4.900 4.740 0.043 0.000 0.240 51 N C -1.569 174.011 175.510 0.117 0.000 1.039 51 N CA -0.606 52.479 53.050 0.059 0.000 0.888 51 N CB 1.268 39.785 38.487 0.050 0.000 1.128 51 N HN -0.426 7.916 8.380 0.040 0.062 0.512 52 D N 4.920 125.419 120.400 0.165 0.000 2.341 52 D HA 0.063 4.821 4.640 0.197 0.000 0.245 52 D C -1.369 175.113 176.300 0.303 0.000 1.106 52 D CA 0.033 54.191 54.000 0.264 0.000 0.905 52 D CB 1.365 42.385 40.800 0.367 0.000 1.202 52 D HN -0.064 8.393 8.370 0.146 0.000 0.426 53 W N 2.249 123.571 121.300 0.037 0.000 3.008 53 W HA 0.086 4.789 4.660 0.071 0.000 0.273 53 W C -1.505 174.742 176.519 -0.453 0.000 1.012 53 W CA 1.109 58.452 57.345 -0.003 0.000 1.885 53 W CB 3.474 33.088 29.460 0.257 0.000 1.150 53 W HN 0.165 8.519 8.180 0.289 0.000 0.564 54 F N -8.080 111.700 119.950 -0.284 0.000 2.773 54 F HA 0.507 4.092 4.527 -1.691 -0.072 0.314 54 F C -1.924 173.661 175.800 -0.358 0.000 1.160 54 F CA -1.617 55.987 58.000 -0.660 0.000 0.920 54 F CB 2.350 41.337 39.000 -0.022 0.000 1.323 54 F HN -0.826 7.403 8.300 -0.119 0.000 0.457 55 R N 0.054 120.384 120.500 -0.283 0.000 2.502 55 R HA 0.429 4.620 4.340 -0.249 0.000 0.300 55 R C -2.538 173.877 176.300 0.191 0.000 0.984 55 R CA -1.267 54.806 56.100 -0.045 0.000 0.882 55 R CB 2.999 33.400 30.300 0.169 0.000 1.180 55 R HN 0.499 8.557 8.270 -0.354 0.000 0.444 56 L N 4.530 125.889 121.223 0.227 0.000 2.409 56 L HA 0.369 4.836 4.340 0.212 0.000 0.272 56 L C -0.949 176.021 176.870 0.167 0.000 0.980 56 L CA -0.660 54.350 54.840 0.283 0.000 0.826 56 L CB 2.694 45.035 42.059 0.470 0.000 1.268 56 L HN 0.515 8.801 8.230 0.094 0.000 0.407 57 E N 2.430 122.583 120.200 -0.078 0.000 2.410 57 E HA 0.566 4.830 4.350 -0.142 0.000 0.269 57 E C -1.960 174.187 176.600 -0.755 0.000 0.937 57 E CA -1.628 54.591 56.400 -0.302 0.000 0.793 57 E CB 4.514 34.046 29.700 -0.280 0.000 1.314 57 E HN 0.279 8.516 8.360 -0.205 0.000 0.447 58 S N -1.479 113.719 115.700 -0.836 0.000 2.740 58 S HA 0.680 4.812 4.470 -0.802 -0.144 0.300 58 S C -0.689 173.706 174.600 -0.341 0.000 1.147 58 S CA -1.695 55.966 58.200 -0.898 0.000 0.871 58 S CB 2.651 64.841 63.200 -1.683 0.000 1.173 58 S HN -0.220 7.769 8.310 -0.534 0.000 0.510 59 N N 0.386 119.014 118.700 -0.121 0.000 2.366 59 N HA 0.168 4.966 4.740 0.098 0.000 0.277 59 N C 1.482 176.977 175.510 -0.025 0.000 1.275 59 N CA -0.265 52.803 53.050 0.030 0.000 0.964 59 N CB 0.513 39.048 38.487 0.081 0.000 1.167 59 N HN -0.144 8.130 8.380 -0.175 0.000 0.568 60 K N -2.675 117.734 120.400 0.015 0.000 2.209 60 K HA -0.195 4.119 4.320 -0.010 0.000 0.204 60 K C 0.614 177.250 176.600 0.060 0.000 1.048 60 K CA 2.344 58.641 56.287 0.016 0.000 0.940 60 K CB -0.509 32.005 32.500 0.022 0.000 0.729 60 K HN 0.334 8.604 8.250 0.032 0.000 0.451 61 E N -2.486 117.769 120.200 0.092 0.000 2.447 61 E HA 0.104 4.585 4.350 0.218 0.000 0.195 61 E C 0.148 176.975 176.600 0.379 0.000 1.028 61 E CA -0.456 56.057 56.400 0.189 0.000 0.876 61 E CB 0.455 30.218 29.700 0.105 0.000 0.885 61 E HN 0.010 8.727 8.360 0.063 -0.320 0.500 62 G N -1.195 107.723 108.800 0.196 0.000 2.155 62 G HA2 -0.382 3.425 3.960 -0.255 0.000 0.257 62 G HA3 -0.382 3.816 3.960 0.397 0.000 0.257 62 G C 0.197 175.351 174.900 0.422 0.000 0.983 62 G CA 1.114 46.331 45.100 0.195 0.000 0.676 62 G HN 0.169 8.400 8.290 0.059 0.094 0.528 63 T N -3.561 111.140 114.554 0.245 0.000 3.067 63 T HA -0.264 4.233 4.350 0.245 0.000 0.261 63 T C -1.129 173.672 174.700 0.168 0.000 1.110 63 T CA 1.606 63.817 62.100 0.185 0.000 1.113 63 T CB 0.632 69.525 68.868 0.040 0.000 0.917 63 T HN -0.581 7.851 8.240 0.155 -0.100 0.499 64 R N 1.154 121.700 120.500 0.078 0.000 2.515 64 R HA 0.311 4.819 4.340 0.103 -0.106 0.291 64 R C -2.767 173.508 176.300 -0.042 0.000 1.046 64 R CA -0.644 55.494 56.100 0.064 0.000 0.914 64 R CB 2.494 32.837 30.300 0.072 0.000 1.191 64 R HN -0.932 7.292 8.270 -0.000 0.046 0.435 65 W N 5.496 126.588 121.300 -0.347 0.000 2.469 65 W HA 0.364 5.000 4.660 -0.285 -0.146 0.320 65 W C -1.238 175.093 176.519 -0.314 0.000 1.086 65 W CA -1.281 55.780 57.345 -0.474 0.000 1.211 65 W CB 1.969 30.919 29.460 -0.850 0.000 1.298 65 W HN 0.756 8.840 8.180 -0.162 0.000 0.525 66 F N -3.255 116.693 119.950 -0.004 0.000 2.619 66 F HA 0.875 5.564 4.527 0.058 -0.127 0.308 66 F C -1.624 174.263 175.800 0.145 0.000 1.097 66 F CA -2.286 55.747 58.000 0.055 0.000 0.953 66 F CB 3.187 42.206 39.000 0.031 0.000 1.287 66 F HN 0.945 8.947 8.300 -0.497 0.000 0.446 67 G N -0.263 108.720 108.800 0.305 0.000 2.399 67 G HA2 0.396 4.525 3.960 0.282 0.000 0.256 67 G HA3 0.396 4.631 3.960 0.206 -0.151 0.256 67 G C -3.244 171.840 174.900 0.307 0.000 1.236 67 G CA 0.839 46.098 45.100 0.265 0.000 0.914 67 G HN 0.283 8.789 8.290 0.361 0.000 0.482 68 K N -2.720 117.862 120.400 0.302 0.000 2.542 68 K HA 1.015 5.663 4.320 0.321 -0.135 0.259 68 K C -2.059 174.630 176.600 0.148 0.000 0.932 68 K CA -1.224 55.257 56.287 0.323 0.000 0.820 68 K CB 4.377 37.142 32.500 0.443 0.000 1.345 68 K HN 0.483 8.898 8.250 0.276 0.000 0.432 69 C N -1.209 118.193 119.300 0.171 0.000 2.507 69 C HA 0.599 4.777 4.460 -0.470 0.000 0.319 69 C C -1.769 173.266 174.990 0.075 0.000 1.208 69 C CA -2.378 56.618 59.018 -0.037 0.000 1.619 69 C CB 2.848 30.711 27.740 0.205 0.000 2.230 69 C HN 0.449 8.860 8.230 0.301 0.000 0.492 70 W N -0.298 121.085 121.300 0.138 0.000 2.702 70 W HA 0.691 5.544 4.660 -0.048 -0.222 0.331 70 W C -2.611 173.875 176.519 -0.055 0.000 1.049 70 W CA -2.822 54.523 57.345 -0.001 0.000 1.230 70 W CB 1.800 31.241 29.460 -0.032 0.000 1.408 70 W HN 0.946 8.544 8.180 -0.969 0.000 0.492 71 Y N 2.827 123.143 120.300 0.028 0.000 2.328 71 Y HA 0.387 4.783 4.550 -0.256 0.000 0.336 71 Y C -1.963 174.000 175.900 0.104 0.000 0.960 71 Y CA -1.996 56.071 58.100 -0.055 0.000 1.134 71 Y CB 3.063 41.503 38.460 -0.033 0.000 1.166 71 Y HN 0.711 9.015 8.280 0.256 0.129 0.464 72 I N 9.350 129.656 120.570 -0.442 0.000 2.371 72 I HA 0.396 4.616 4.170 -0.258 -0.205 0.290 72 I C -0.731 174.999 176.117 -0.645 0.000 1.028 72 I CA -1.377 59.685 61.300 -0.396 0.000 1.345 72 I CB -0.490 37.375 38.000 -0.223 0.000 1.407 72 I HN 0.521 8.519 8.210 -0.354 0.000 0.501 73 H N 8.522 127.350 119.070 -0.403 0.000 2.934 73 H HA 0.190 4.560 4.556 -0.311 0.000 0.340 73 H C -0.616 174.677 175.328 -0.060 0.000 1.008 73 H CA 0.058 55.963 56.048 -0.238 0.000 1.317 73 H CB 3.597 33.331 29.762 -0.048 0.000 1.670 73 H HN 0.785 8.994 8.280 -0.118 0.000 0.516 74 D N 5.116 125.378 120.400 -0.229 0.000 4.516 74 D HA -0.371 4.185 4.640 -0.140 0.000 0.194 74 D C -0.725 175.549 176.300 -0.043 0.000 0.740 74 D CA 2.703 56.664 54.000 -0.066 0.000 1.703 74 D CB -0.520 40.382 40.800 0.169 0.000 1.032 74 D HN 0.521 8.595 8.370 -0.494 0.000 0.438 75 L N -1.675 119.567 121.223 0.031 0.000 3.520 75 L HA 0.234 4.554 4.340 -0.032 0.000 0.323 75 L C -0.781 176.057 176.870 -0.053 0.000 1.246 75 L CA -0.242 54.611 54.840 0.021 0.000 1.085 75 L CB 2.051 44.204 42.059 0.156 0.000 1.477 75 L HN -0.136 8.137 8.230 0.072 0.000 0.624 76 L N -0.821 120.319 121.223 -0.139 0.000 2.330 76 L HA 0.325 4.507 4.340 -0.263 0.000 0.271 76 L C -1.405 175.195 176.870 -0.449 0.000 1.013 76 L CA -1.128 53.511 54.840 -0.335 0.000 0.816 76 L CB 2.607 44.352 42.059 -0.524 0.000 1.287 76 L HN -0.079 7.991 8.230 -0.082 0.111 0.435 77 K N 0.675 120.762 120.400 -0.521 0.000 2.323 77 K HA 0.377 4.684 4.320 -0.313 -0.175 0.259 77 K C -0.973 175.215 176.600 -0.686 0.000 0.947 77 K CA -0.938 55.091 56.287 -0.429 0.000 0.819 77 K CB 2.248 34.609 32.500 -0.232 0.000 1.109 77 K HN 0.235 8.214 8.250 -0.453 0.000 0.429 78 Y N 5.311 125.414 120.300 -0.329 0.000 2.464 78 Y HA 0.169 3.997 4.550 -1.203 0.000 0.326 78 Y C -1.037 174.425 175.900 -0.729 0.000 0.969 78 Y CA -1.839 55.828 58.100 -0.722 0.000 1.270 78 Y CB 0.914 39.077 38.460 -0.495 0.000 1.103 78 Y HN 0.908 9.041 8.280 -0.045 0.120 0.491 79 E N 3.560 123.451 120.200 -0.514 0.000 2.216 79 E HA 0.577 5.151 4.350 0.024 -0.210 0.279 79 E C -1.453 174.897 176.600 -0.417 0.000 0.997 79 E CA -1.699 54.593 56.400 -0.181 0.000 0.817 79 E CB 1.279 31.086 29.700 0.178 0.000 1.096 79 E HN 0.181 8.223 8.360 -0.530 0.000 0.393 80 F N 1.783 121.871 119.950 0.229 0.000 2.520 80 F HA 0.214 4.850 4.527 0.182 0.000 0.322 80 F C -1.315 174.612 175.800 0.212 0.000 1.103 80 F CA -1.247 56.865 58.000 0.187 0.000 0.926 80 F CB 3.174 42.254 39.000 0.133 0.000 1.154 80 F HN 0.859 9.197 8.300 0.244 0.108 0.453 81 D N 3.439 124.061 120.400 0.370 0.000 2.280 81 D HA 0.383 5.340 4.640 0.316 -0.128 0.243 81 D C -0.709 175.760 176.300 0.282 0.000 1.129 81 D CA -0.265 53.917 54.000 0.303 0.000 0.848 81 D CB 1.512 42.460 40.800 0.246 0.000 1.107 81 D HN 0.313 8.901 8.370 0.363 0.000 0.471 82 I N -0.587 120.154 120.570 0.285 0.000 3.042 82 I HA 0.901 5.323 4.170 0.235 -0.112 0.310 82 I C -2.700 173.596 176.117 0.300 0.000 1.117 82 I CA -2.277 59.186 61.300 0.272 0.000 1.003 82 I CB 4.339 42.502 38.000 0.271 0.000 1.228 82 I HN 0.501 8.891 8.210 0.301 0.000 0.443 83 E N -1.512 118.872 120.200 0.307 0.000 2.392 83 E HA 0.886 5.536 4.350 0.256 -0.146 0.279 83 E C -1.844 174.979 176.600 0.371 0.000 0.964 83 E CA -1.365 55.204 56.400 0.281 0.000 0.777 83 E CB 4.036 33.853 29.700 0.196 0.000 1.249 83 E HN 0.043 8.573 8.360 0.283 0.000 0.449 84 F N -3.423 116.615 119.950 0.147 0.000 2.799 84 F HA 0.451 5.010 4.527 0.053 0.000 0.316 84 F C -3.061 172.823 175.800 0.140 0.000 1.155 84 F CA -0.199 57.850 58.000 0.082 0.000 0.916 84 F CB 1.858 40.852 39.000 -0.010 0.000 1.294 84 F HN 0.623 8.858 8.300 -0.108 0.000 0.447 85 D N -2.149 118.385 120.400 0.223 0.000 2.525 85 D HA 0.206 4.989 4.640 0.122 -0.070 0.249 85 D C -1.474 174.964 176.300 0.230 0.000 1.072 85 D CA -1.361 52.737 54.000 0.164 0.000 1.067 85 D CB 3.039 43.903 40.800 0.107 0.000 1.282 85 D HN 0.128 8.660 8.370 0.270 0.000 0.587 86 I N -0.816 119.880 120.570 0.209 0.000 2.442 86 I HA 0.396 4.636 4.170 0.117 0.000 0.279 86 I C -1.926 174.272 176.117 0.135 0.000 1.081 86 I CA -4.503 56.923 61.300 0.209 0.000 1.197 86 I CB -0.824 37.439 38.000 0.439 0.000 1.394 86 I HN 0.028 8.350 8.210 0.187 0.000 0.488 87 P HA 0.156 4.601 4.420 0.042 0.000 0.271 87 P C 0.719 178.079 177.300 0.100 0.000 1.244 87 P CA -0.724 62.421 63.100 0.075 0.000 0.793 87 P CB 0.873 32.608 31.700 0.058 0.000 0.984 88 I N -0.506 120.094 120.570 0.051 0.000 2.567 88 I HA -0.375 3.812 4.170 0.027 0.000 0.257 88 I C 1.198 177.368 176.117 0.089 0.000 1.184 88 I CA 2.671 63.999 61.300 0.045 0.000 1.451 88 I CB -0.528 37.481 38.000 0.014 0.000 1.089 88 I HN 0.255 8.483 8.210 0.029 0.000 0.441 89 T N -0.990 113.623 114.554 0.098 0.000 2.962 89 T HA -0.269 4.128 4.350 0.078 0.000 0.270 89 T C -0.195 174.610 174.700 0.175 0.000 1.088 89 T CA 1.645 63.806 62.100 0.102 0.000 1.127 89 T CB -0.317 68.589 68.868 0.062 0.000 0.883 89 T HN -0.525 7.722 8.240 0.083 0.043 0.493 90 Y N 4.074 124.430 120.300 0.092 0.000 2.299 90 Y HA 0.253 5.084 4.550 0.162 -0.184 0.326 90 Y C -1.862 174.172 175.900 0.225 0.000 1.164 90 Y CA -1.366 56.830 58.100 0.160 0.000 1.234 90 Y CB 2.580 41.142 38.460 0.171 0.000 1.219 90 Y HN -0.471 7.816 8.280 0.297 0.171 0.497 91 P HA 0.295 3.613 4.420 -1.837 0.000 0.263 91 P C -1.079 176.187 177.300 -0.058 0.000 1.448 91 P CA -0.371 62.245 63.100 -0.808 0.000 0.983 91 P CB 0.573 31.774 31.700 -0.831 0.000 1.481 92 T N 1.280 115.879 114.554 0.074 0.000 2.821 92 T HA -0.218 4.220 4.350 0.147 0.000 0.267 92 T C 0.442 175.349 174.700 0.345 0.000 1.046 92 T CA 3.494 65.695 62.100 0.167 0.000 1.139 92 T CB 0.233 69.165 68.868 0.108 0.000 0.871 92 T HN -0.550 7.638 8.240 0.057 0.086 0.454 93 T N 2.200 116.896 114.554 0.236 0.000 2.876 93 T HA 0.254 4.634 4.350 0.050 0.000 0.289 93 T C -1.982 172.618 174.700 -0.167 0.000 1.014 93 T CA -1.437 60.680 62.100 0.029 0.000 0.986 93 T CB 2.850 71.694 68.868 -0.041 0.000 1.021 93 T HN 0.090 8.325 8.240 0.182 0.114 0.458 94 A N 4.492 126.787 122.820 -0.875 0.000 2.425 94 A HA 0.183 4.234 4.320 -0.449 0.000 0.249 94 A C -1.604 175.735 177.584 -0.408 0.000 1.084 94 A CA -1.779 49.766 52.037 -0.820 0.000 0.781 94 A CB -0.723 17.464 19.000 -1.355 0.000 1.019 94 A HN 0.356 7.675 8.150 -1.385 0.000 0.490 95 P HA 0.188 4.487 4.420 -0.202 0.000 0.310 95 P C -1.895 175.198 177.300 -0.344 0.000 1.309 95 P CA -1.082 61.851 63.100 -0.279 0.000 0.769 95 P CB 1.237 32.781 31.700 -0.260 0.000 1.327 96 E N -0.850 119.193 120.200 -0.262 0.000 2.133 96 E HA 0.134 4.267 4.350 -0.362 0.000 0.274 96 E C -1.046 175.407 176.600 -0.246 0.000 0.930 96 E CA -0.940 55.294 56.400 -0.276 0.000 0.770 96 E CB 1.269 30.852 29.700 -0.195 0.000 1.104 96 E HN 0.150 8.404 8.360 -0.176 0.000 0.403 97 I N 4.644 125.006 120.570 -0.347 0.000 2.371 97 I HA -0.086 3.968 4.170 -0.193 0.000 0.290 97 I C -1.243 174.809 176.117 -0.108 0.000 1.028 97 I CA -0.510 60.622 61.300 -0.281 0.000 1.345 97 I CB 0.759 38.495 38.000 -0.440 0.000 1.407 97 I HN 0.448 8.408 8.210 -0.416 0.000 0.501 98 A N 7.579 130.426 122.820 0.044 0.000 2.269 98 A HA 0.888 5.545 4.320 0.012 -0.330 0.302 98 A C -1.042 176.595 177.584 0.088 0.000 1.266 98 A CA -1.842 50.230 52.037 0.058 0.000 0.894 98 A CB 1.015 20.071 19.000 0.093 0.000 1.147 98 A HN 0.374 8.615 8.150 0.152 0.000 0.537 99 V N 5.214 125.166 119.914 0.063 0.000 2.250 99 V HA 0.564 4.761 4.120 0.129 0.000 0.268 99 V C -1.703 174.450 176.094 0.097 0.000 1.043 99 V CA -3.600 58.756 62.300 0.094 0.000 0.814 99 V CB 1.205 33.073 31.823 0.076 0.000 1.072 99 V HN -0.177 8.032 8.190 0.031 0.000 0.451 100 P HA -0.028 4.441 4.420 0.082 0.000 0.234 100 P C 0.182 177.551 177.300 0.114 0.000 1.167 100 P CA 1.919 65.079 63.100 0.100 0.000 0.763 100 P CB 0.105 31.865 31.700 0.099 0.000 0.835 101 E N -2.023 118.265 120.200 0.147 0.000 2.076 101 E HA -0.189 4.264 4.350 0.172 0.000 0.190 101 E C 1.357 178.039 176.600 0.137 0.000 0.979 101 E CA 1.704 58.215 56.400 0.184 0.000 0.807 101 E CB -0.322 29.570 29.700 0.320 0.000 0.761 101 E HN 0.075 8.451 8.360 0.155 0.077 0.454 102 L N -2.899 118.373 121.223 0.082 0.000 2.202 102 L HA -0.084 4.275 4.340 0.033 0.000 0.205 102 L C 0.562 177.467 176.870 0.058 0.000 1.083 102 L CA 0.757 55.619 54.840 0.035 0.000 0.790 102 L CB 0.502 42.547 42.059 -0.024 0.000 0.942 102 L HN -0.833 7.445 8.230 0.080 0.000 0.452 103 D N -1.868 118.574 120.400 0.070 0.000 2.487 103 D HA -0.302 4.376 4.640 0.064 0.000 0.243 103 D C 0.635 176.966 176.300 0.053 0.000 1.154 103 D CA 2.490 56.528 54.000 0.062 0.000 0.876 103 D CB 0.736 41.572 40.800 0.059 0.000 1.161 103 D HN -0.767 7.649 8.370 0.076 0.000 0.478 104 G N 4.927 113.753 108.800 0.043 0.000 2.284 104 G HA2 -0.363 3.614 3.960 0.029 0.000 0.230 104 G HA3 -0.363 3.620 3.960 0.039 0.000 0.230 104 G C 0.309 175.229 174.900 0.035 0.000 1.021 104 G CA 0.866 45.988 45.100 0.036 0.000 0.619 104 G HN 0.449 8.764 8.290 0.042 0.000 0.510 105 K N 0.327 120.751 120.400 0.040 0.000 2.404 105 K HA 0.102 4.442 4.320 0.034 0.000 0.194 105 K C -1.348 175.264 176.600 0.020 0.000 1.023 105 K CA -0.117 56.191 56.287 0.035 0.000 1.094 105 K CB 0.922 33.451 32.500 0.049 0.000 0.841 105 K HN -0.223 7.849 8.250 0.045 0.205 0.523 106 T N -3.055 111.511 114.554 0.020 0.000 2.889 106 T HA 0.166 4.519 4.350 0.005 0.000 0.315 106 T C -1.259 173.453 174.700 0.020 0.000 1.291 106 T CA -1.741 60.367 62.100 0.012 0.000 1.028 106 T CB 2.112 70.982 68.868 0.002 0.000 1.235 106 T HN -0.853 7.332 8.240 0.028 0.072 0.491 107 A N 5.109 127.937 122.820 0.015 0.000 2.072 107 A HA 0.088 4.416 4.320 0.013 0.000 0.216 107 A C 0.037 177.634 177.584 0.022 0.000 1.156 107 A CA 1.022 53.068 52.037 0.014 0.000 0.701 107 A CB 0.160 19.165 19.000 0.008 0.000 0.816 107 A HN 0.520 8.675 8.150 0.009 0.000 0.458 108 K N 1.269 121.689 120.400 0.034 0.000 2.142 108 K HA 0.077 4.423 4.320 0.043 0.000 0.250 108 K C -1.870 174.782 176.600 0.087 0.000 1.148 108 K CA -0.520 55.800 56.287 0.055 0.000 1.040 108 K CB -0.751 31.785 32.500 0.060 0.000 1.569 108 K HN -0.650 7.583 8.250 0.028 0.034 0.361 109 M N 4.575 124.216 119.600 0.068 0.000 2.386 109 M HA 0.222 4.773 4.480 0.117 0.000 0.293 109 M C -0.998 175.345 176.300 0.072 0.000 1.120 109 M CA -1.367 53.983 55.300 0.083 0.000 0.909 109 M CB 2.606 35.244 32.600 0.064 0.000 1.661 109 M HN -0.481 7.803 8.290 0.041 0.032 0.452 110 Y N 6.788 127.064 120.300 -0.041 0.000 2.114 110 Y HA -0.268 4.253 4.550 -0.049 0.000 0.284 110 Y C -0.569 175.303 175.900 -0.046 0.000 1.143 110 Y CA 2.274 60.338 58.100 -0.059 0.000 1.135 110 Y CB 1.119 39.517 38.460 -0.103 0.000 0.980 110 Y HN 0.172 8.557 8.280 0.175 0.000 0.499 111 R N -4.778 115.750 120.500 0.047 0.000 2.690 111 R HA 0.211 4.490 4.340 -0.102 0.000 0.269 111 R C -1.551 174.770 176.300 0.036 0.000 1.037 111 R CA -1.016 55.063 56.100 -0.035 0.000 0.877 111 R CB 2.648 32.912 30.300 -0.061 0.000 1.255 111 R HN -0.810 7.569 8.270 0.182 0.000 0.467 112 G N 1.457 110.263 108.800 0.011 0.000 2.230 112 G HA2 -0.330 3.890 3.960 0.025 0.000 0.282 112 G HA3 -0.330 3.640 3.960 0.016 0.000 0.282 112 G C -0.484 174.438 174.900 0.037 0.000 0.999 112 G CA 1.472 46.586 45.100 0.023 0.000 1.326 112 G HN 0.381 8.663 8.290 -0.013 0.000 0.397 113 G N 4.782 113.607 108.800 0.042 0.000 2.278 113 G HA2 -0.348 3.640 3.960 0.046 0.000 0.210 113 G HA3 -0.348 3.636 3.960 0.041 0.000 0.210 113 G C -1.061 173.851 174.900 0.020 0.000 1.000 113 G CA -0.228 44.896 45.100 0.040 0.000 0.635 113 G HN 0.265 8.894 8.290 0.044 -0.313 0.495 114 K N 2.595 123.012 120.400 0.029 0.000 2.183 114 K HA 0.510 4.777 4.320 -0.089 0.000 0.274 114 K C 0.411 176.958 176.600 -0.088 0.000 1.009 114 K CA -1.525 54.746 56.287 -0.027 0.000 0.888 114 K CB 0.855 33.396 32.500 0.068 0.000 1.078 114 K HN -0.027 8.075 8.250 0.063 0.186 0.459 115 I N -1.780 118.620 120.570 -0.284 0.000 3.211 115 I HA 0.153 4.131 4.170 -0.320 0.000 0.297 115 I C 0.048 175.824 176.117 -0.568 0.000 1.095 115 I CA -0.059 60.922 61.300 -0.531 0.000 1.239 115 I CB 1.214 38.603 38.000 -1.019 0.000 1.455 115 I HN -0.520 7.502 8.210 -0.313 0.000 0.630 116 C N 2.615 121.486 119.300 -0.715 0.000 2.242 116 C HA 0.102 4.367 4.460 -0.325 0.000 0.317 116 C C -0.709 173.885 174.990 -0.660 0.000 1.087 116 C CA -1.071 57.690 59.018 -0.429 0.000 1.535 116 C CB -0.154 27.569 27.740 -0.029 0.000 1.893 116 C HN 0.248 7.868 8.230 -1.017 0.000 0.426 117 L N 3.725 124.595 121.223 -0.588 0.000 2.464 117 L HA 0.042 3.995 4.340 -0.645 0.000 0.264 117 L C 0.457 177.212 176.870 -0.193 0.000 1.199 117 L CA -0.154 54.397 54.840 -0.482 0.000 0.818 117 L CB 0.418 42.224 42.059 -0.422 0.000 1.102 117 L HN 0.015 7.919 8.230 -0.545 0.000 0.473 118 T N 0.055 114.562 114.554 -0.077 0.000 2.898 118 T HA 0.014 4.408 4.350 0.073 0.000 0.301 118 T C 1.202 175.968 174.700 0.109 0.000 1.049 118 T CA -0.350 61.793 62.100 0.072 0.000 1.095 118 T CB 1.271 70.223 68.868 0.139 0.000 0.976 118 T HN -0.080 8.077 8.240 -0.140 0.000 0.539 119 D N 5.591 126.059 120.400 0.113 0.000 2.219 119 D HA -0.188 4.455 4.640 0.006 0.000 0.205 119 D C 0.885 177.189 176.300 0.006 0.000 0.970 119 D CA 2.387 56.405 54.000 0.029 0.000 0.851 119 D CB -0.462 40.321 40.800 -0.028 0.000 0.943 119 D HN 0.505 8.962 8.370 0.144 0.000 0.488 120 H N -0.753 118.366 119.070 0.081 0.000 2.502 120 H HA -0.046 4.545 4.556 0.058 0.000 0.283 120 H C 1.146 176.553 175.328 0.132 0.000 1.015 120 H CA 2.596 58.697 56.048 0.089 0.000 1.298 120 H CB 0.283 30.098 29.762 0.089 0.000 1.411 120 H HN -0.557 7.899 8.280 0.362 0.041 0.556 121 F N 0.566 120.577 119.950 0.103 0.000 2.259 121 F HA -0.244 4.352 4.527 0.114 0.000 0.298 121 F C 0.975 176.811 175.800 0.059 0.000 1.088 121 F CA 2.723 60.766 58.000 0.071 0.000 1.358 121 F CB 0.420 39.421 39.000 0.001 0.000 1.040 121 F HN -0.461 7.892 8.300 0.353 0.160 0.505 122 K N -0.498 119.906 120.400 0.007 0.000 2.002 122 K HA -0.192 4.018 4.320 -0.182 0.000 0.209 122 K C -0.974 175.583 176.600 -0.071 0.000 1.048 122 K CA 5.425 61.656 56.287 -0.094 0.000 0.930 122 K CB -1.948 30.513 32.500 -0.065 0.000 0.714 122 K HN -0.348 7.940 8.250 0.097 0.020 0.438 123 P HA -0.123 4.288 4.420 -0.015 0.000 0.219 123 P C 1.355 178.649 177.300 -0.009 0.000 1.150 123 P CA 2.289 65.377 63.100 -0.020 0.000 0.814 123 P CB -0.357 31.329 31.700 -0.024 0.000 0.787 124 L N -1.050 120.163 121.223 -0.015 0.000 2.017 124 L HA -0.285 4.061 4.340 0.011 0.000 0.208 124 L C 1.760 178.612 176.870 -0.031 0.000 1.073 124 L CA 3.295 58.127 54.840 -0.013 0.000 0.745 124 L CB -0.362 41.711 42.059 0.023 0.000 0.894 124 L HN -0.622 7.604 8.230 -0.006 0.000 0.432 125 W N -1.059 120.008 121.300 -0.388 0.000 2.333 125 W HA -0.495 4.037 4.660 -0.214 0.000 0.316 125 W C 1.378 177.836 176.519 -0.103 0.000 1.215 125 W CA 3.476 60.580 57.345 -0.401 0.000 1.278 125 W CB 0.115 29.096 29.460 -0.797 0.000 1.154 125 W HN 0.237 8.182 8.180 -0.216 0.105 0.486 126 A N -2.986 119.918 122.820 0.140 0.000 1.978 126 A HA -0.351 4.065 4.320 0.160 0.000 0.220 126 A C 2.007 179.605 177.584 0.022 0.000 1.170 126 A CA 2.364 54.461 52.037 0.099 0.000 0.636 126 A CB -0.476 18.562 19.000 0.064 0.000 0.810 126 A HN -0.401 7.823 8.150 0.123 0.000 0.448 127 R N -3.999 116.500 120.500 -0.002 0.000 2.115 127 R HA -0.225 4.097 4.340 -0.030 0.000 0.230 127 R C 1.728 177.980 176.300 -0.081 0.000 1.111 127 R CA 2.086 58.165 56.100 -0.034 0.000 0.976 127 R CB 0.206 30.487 30.300 -0.032 0.000 0.870 127 R HN -0.345 7.908 8.270 0.006 0.021 0.445 128 N N -2.744 115.894 118.700 -0.104 0.000 2.388 128 N HA -0.036 4.545 4.740 -0.265 0.000 0.176 128 N C 0.284 175.584 175.510 -0.350 0.000 1.062 128 N CA 0.784 53.663 53.050 -0.285 0.000 0.895 128 N CB 1.387 39.588 38.487 -0.476 0.000 1.018 128 N HN -0.600 7.612 8.380 -0.037 0.146 0.456 129 V N 3.693 123.549 119.914 -0.096 0.000 2.625 129 V HA -0.309 3.812 4.120 0.002 0.000 0.305 129 V C -1.175 174.843 176.094 -0.127 0.000 1.055 129 V CA 0.586 62.854 62.300 -0.052 0.000 1.209 129 V CB -0.310 31.527 31.823 0.022 0.000 0.877 129 V HN -0.574 7.612 8.190 -0.006 0.000 0.489 130 P HA 0.272 4.690 4.420 -0.003 0.000 0.307 130 P C -1.603 175.466 177.300 -0.385 0.000 1.371 130 P CA -0.753 62.265 63.100 -0.136 0.000 0.850 130 P CB 1.220 32.875 31.700 -0.074 0.000 2.144 131 K N -6.360 113.870 120.400 -0.283 0.000 3.281 131 K HA -0.403 4.043 4.320 -0.206 -0.250 0.295 131 K C -0.332 175.981 176.600 -0.478 0.000 1.233 131 K CA 1.145 57.222 56.287 -0.350 0.000 0.866 131 K CB -1.968 30.283 32.500 -0.415 0.000 1.265 131 K HN -0.025 8.219 8.250 -0.161 -0.091 0.482 132 F N -1.436 118.329 119.950 -0.309 0.000 2.321 132 F HA 0.079 4.362 4.527 -0.407 0.000 0.318 132 F C -0.086 175.718 175.800 0.007 0.000 1.129 132 F CA 0.347 58.167 58.000 -0.300 0.000 1.074 132 F CB 2.376 41.025 39.000 -0.586 0.000 1.432 132 F HN -0.852 7.524 8.300 -0.116 -0.146 0.502 133 G N -4.697 104.383 108.800 0.466 0.000 2.519 133 G HA2 0.074 4.267 3.960 0.183 0.000 0.292 133 G HA3 0.074 4.137 3.960 0.171 0.000 0.292 133 G C -1.635 173.399 174.900 0.225 0.000 1.507 133 G CA 0.113 45.371 45.100 0.263 0.000 0.806 133 G HN -0.541 8.110 8.290 0.602 0.000 0.523 134 L N 1.969 123.254 121.223 0.103 0.000 2.043 134 L HA -0.262 4.116 4.340 0.064 0.000 0.212 134 L C 1.604 178.355 176.870 -0.198 0.000 1.075 134 L CA 3.099 57.899 54.840 -0.067 0.000 0.752 134 L CB -0.042 41.788 42.059 -0.382 0.000 0.891 134 L HN 0.883 9.637 8.230 0.080 -0.476 0.432 135 A N -2.947 119.707 122.820 -0.276 0.000 1.940 135 A HA -0.411 3.667 4.320 -0.404 0.000 0.219 135 A C 2.287 179.612 177.584 -0.431 0.000 1.176 135 A CA 3.207 55.000 52.037 -0.406 0.000 0.631 135 A CB -1.021 17.724 19.000 -0.426 0.000 0.814 135 A HN 0.391 8.382 8.150 -0.252 0.008 0.446 136 H N -1.212 117.793 119.070 -0.109 0.000 2.333 136 H HA -0.269 4.218 4.556 -0.115 0.000 0.302 136 H C 2.238 177.605 175.328 0.065 0.000 1.075 136 H CA 3.677 59.713 56.048 -0.021 0.000 1.348 136 H CB 0.152 29.982 29.762 0.112 0.000 1.393 136 H HN -0.529 7.458 8.280 -0.293 0.117 0.509 137 L N 0.340 121.724 121.223 0.268 0.000 2.012 137 L HA -0.340 4.341 4.340 0.569 0.000 0.210 137 L C 1.736 178.557 176.870 -0.081 0.000 1.073 137 L CA 3.097 58.096 54.840 0.264 0.000 0.748 137 L CB -0.261 41.935 42.059 0.229 0.000 0.891 137 L HN 0.114 8.441 8.230 0.270 0.065 0.431 138 M N -1.157 118.287 119.600 -0.261 0.000 2.086 138 M HA -0.415 3.838 4.480 -0.379 0.000 0.261 138 M C 1.708 177.756 176.300 -0.420 0.000 1.067 138 M CA 3.009 58.052 55.300 -0.428 0.000 1.116 138 M CB -0.667 31.535 32.600 -0.663 0.000 1.348 138 M HN 0.430 8.569 8.290 -0.252 0.000 0.407 139 A N -1.246 121.292 122.820 -0.470 0.000 1.929 139 A HA -0.179 3.869 4.320 -0.455 0.000 0.216 139 A C 2.443 179.949 177.584 -0.130 0.000 1.176 139 A CA 2.711 54.504 52.037 -0.407 0.000 0.628 139 A CB -0.347 18.308 19.000 -0.575 0.000 0.816 139 A HN -0.469 7.394 8.150 -0.478 0.000 0.444 140 L N -5.825 115.376 121.223 -0.038 0.000 2.446 140 L HA -0.139 4.256 4.340 0.091 0.000 0.219 140 L C 0.746 177.535 176.870 -0.135 0.000 1.116 140 L CA 1.362 56.259 54.840 0.096 0.000 0.844 140 L CB 0.245 42.540 42.059 0.392 0.000 0.970 140 L HN 0.072 8.286 8.230 -0.028 0.000 0.457 141 G N -3.142 105.437 108.800 -0.369 0.000 2.797 141 G HA2 0.211 3.561 3.960 -1.016 0.000 0.211 141 G HA3 0.211 3.627 3.960 -0.978 -0.043 0.211 141 G C 0.050 174.750 174.900 -0.334 0.000 1.236 141 G CA 0.760 45.417 45.100 -0.738 0.000 0.833 141 G HN -0.390 7.717 8.290 -0.242 0.038 0.624 142 L N 2.934 124.021 121.223 -0.225 0.000 2.056 142 L HA -0.111 4.264 4.340 0.059 0.000 0.207 142 L C 1.877 178.837 176.870 0.150 0.000 1.078 142 L CA 1.901 56.739 54.840 -0.002 0.000 0.749 142 L CB -0.246 41.801 42.059 -0.020 0.000 0.901 142 L HN -0.761 7.297 8.230 -0.287 0.000 0.433 143 G N -1.607 107.293 108.800 0.166 0.000 2.545 143 G HA2 -0.252 4.075 3.960 0.612 0.000 0.217 143 G HA3 -0.252 3.898 3.960 0.317 0.000 0.217 143 G C -1.473 173.509 174.900 0.137 0.000 1.218 143 G CA 3.207 48.503 45.100 0.327 0.000 0.787 143 G HN 0.455 8.760 8.290 0.024 0.000 0.571 144 P HA -0.085 4.359 4.420 0.041 0.000 0.219 144 P C 0.490 177.804 177.300 0.025 0.000 1.150 144 P CA 1.357 64.484 63.100 0.045 0.000 0.814 144 P CB -0.304 31.423 31.700 0.046 0.000 0.787 145 W N -0.289 120.919 121.300 -0.153 0.000 2.374 145 W HA -0.304 4.263 4.660 -0.155 0.000 0.288 145 W C 0.906 177.298 176.519 -0.212 0.000 1.218 145 W CA 4.026 61.262 57.345 -0.181 0.000 1.245 145 W CB -0.052 29.277 29.460 -0.219 0.000 1.126 145 W HN -0.671 7.580 8.180 0.154 0.021 0.545 146 L N -2.266 118.753 121.223 -0.340 0.000 2.042 146 L HA -0.499 3.328 4.340 -0.855 0.000 0.210 146 L C 2.297 178.806 176.870 -0.601 0.000 1.076 146 L CA 2.989 57.453 54.840 -0.626 0.000 0.749 146 L CB -0.775 40.913 42.059 -0.619 0.000 0.893 146 L HN -0.149 8.010 8.230 -0.099 0.012 0.432 147 A N -5.320 117.262 122.820 -0.396 0.000 2.235 147 A HA -0.125 4.028 4.320 -0.278 0.000 0.208 147 A C 0.303 177.750 177.584 -0.227 0.000 1.172 147 A CA 1.673 53.556 52.037 -0.255 0.000 0.786 147 A CB -0.609 18.334 19.000 -0.094 0.000 0.804 147 A HN -0.397 7.476 8.150 -0.293 0.101 0.479 148 V N -2.271 117.455 119.914 -0.313 0.000 2.599 148 V HA -0.044 3.981 4.120 -0.158 0.000 0.237 148 V C 1.511 177.395 176.094 -0.349 0.000 1.081 148 V CA 3.046 65.196 62.300 -0.251 0.000 1.107 148 V CB 1.217 32.959 31.823 -0.135 0.000 0.808 148 V HN -0.445 7.261 8.190 -0.422 0.231 0.486 149 E N -2.074 117.737 120.200 -0.647 0.000 2.251 149 E HA -0.054 4.090 4.350 -0.344 0.000 0.194 149 E C 2.119 178.384 176.600 -0.557 0.000 0.964 149 E CA 1.227 57.266 56.400 -0.602 0.000 0.868 149 E CB 0.722 29.910 29.700 -0.854 0.000 0.828 149 E HN -0.126 7.665 8.360 -0.949 0.000 0.481 150 I N 0.762 120.927 120.570 -0.675 0.000 2.208 150 I HA -0.246 3.608 4.170 -0.527 0.000 0.245 150 I C -1.212 174.672 176.117 -0.390 0.000 1.097 150 I CA 4.064 65.038 61.300 -0.543 0.000 1.363 150 I CB -3.423 34.231 38.000 -0.578 0.000 1.051 150 I HN -0.516 7.210 8.210 -0.807 0.000 0.413 151 P HA -0.287 3.972 4.420 -0.269 0.000 0.216 151 P C 1.647 178.837 177.300 -0.183 0.000 1.154 151 P CA 3.484 66.434 63.100 -0.251 0.000 0.865 151 P CB -0.839 30.743 31.700 -0.197 0.000 0.789 152 D N -1.635 118.656 120.400 -0.182 0.000 2.097 152 D HA -0.265 4.320 4.640 -0.092 0.000 0.195 152 D C 1.989 178.224 176.300 -0.109 0.000 0.989 152 D CA 3.380 57.306 54.000 -0.124 0.000 0.827 152 D CB 0.057 40.787 40.800 -0.117 0.000 0.966 152 D HN -0.428 7.702 8.370 -0.224 0.106 0.456 153 L N -1.409 119.727 121.223 -0.146 0.000 2.046 153 L HA -0.291 4.013 4.340 -0.060 0.000 0.208 153 L C 2.326 179.157 176.870 -0.064 0.000 1.077 153 L CA 2.943 57.725 54.840 -0.098 0.000 0.747 153 L CB -0.878 41.106 42.059 -0.124 0.000 0.896 153 L HN -0.743 7.291 8.230 -0.209 0.071 0.432 154 I N -1.670 118.829 120.570 -0.118 0.000 2.163 154 I HA -0.647 3.512 4.170 -0.019 0.000 0.240 154 I C 2.092 178.193 176.117 -0.027 0.000 1.081 154 I CA 4.007 65.259 61.300 -0.080 0.000 1.353 154 I CB -0.200 37.690 38.000 -0.184 0.000 1.054 154 I HN 0.241 8.340 8.210 -0.185 0.000 0.407 155 Q N -1.200 118.572 119.800 -0.047 0.000 2.119 155 Q HA -0.306 4.035 4.340 0.002 0.000 0.201 155 Q C 2.329 178.326 176.000 -0.005 0.000 0.972 155 Q CA 2.637 58.429 55.803 -0.018 0.000 0.847 155 Q CB 0.023 28.744 28.738 -0.029 0.000 0.903 155 Q HN 0.047 8.157 8.270 -0.084 0.110 0.433 156 K N -3.100 117.292 120.400 -0.013 0.000 2.365 156 K HA -0.179 4.141 4.320 -0.000 0.000 0.199 156 K C 0.152 176.760 176.600 0.013 0.000 1.045 156 K CA 0.323 56.609 56.287 -0.002 0.000 0.962 156 K CB 0.407 32.901 32.500 -0.010 0.000 0.759 156 K HN -0.161 8.056 8.250 -0.031 0.015 0.469 157 G N -2.170 106.643 108.800 0.022 0.000 2.136 157 G HA2 -0.294 3.763 3.960 0.051 0.000 0.242 157 G HA3 -0.294 3.687 3.960 0.035 0.000 0.242 157 G C 0.492 175.421 174.900 0.047 0.000 0.989 157 G CA 0.680 45.803 45.100 0.039 0.000 0.682 157 G HN -0.406 7.735 8.290 0.015 0.158 0.522 158 V N -5.568 114.374 119.914 0.047 0.000 3.235 158 V HA 0.068 4.219 4.120 0.052 0.000 0.259 158 V C 0.049 176.200 176.094 0.095 0.000 1.133 158 V CA 0.691 63.026 62.300 0.058 0.000 1.128 158 V CB 0.292 32.141 31.823 0.045 0.000 0.757 158 V HN -0.711 7.464 8.190 0.034 0.035 0.469 159 I N 1.249 121.892 120.570 0.122 0.000 2.396 159 I HA -0.119 4.192 4.170 0.235 0.000 0.289 159 I C -0.745 175.498 176.117 0.210 0.000 1.056 159 I CA -0.216 61.212 61.300 0.213 0.000 1.365 159 I CB -0.136 38.017 38.000 0.256 0.000 1.407 159 I HN -0.867 7.372 8.210 0.093 0.027 0.509 160 Q N 9.280 129.189 119.800 0.183 0.000 3.184 160 Q HA -0.027 4.334 4.340 0.035 0.000 0.288 160 Q C -0.772 175.153 176.000 -0.125 0.000 1.412 160 Q CA 0.384 56.205 55.803 0.029 0.000 0.991 160 Q CB -1.300 27.416 28.738 -0.038 0.000 1.688 160 Q HN 0.669 9.065 8.270 0.210 0.000 0.554 161 H N 1.228 120.326 119.070 0.047 0.000 3.237 161 H HA 0.184 4.695 4.556 -0.075 0.000 0.224 161 H C -0.750 174.566 175.328 -0.021 0.000 1.370 161 H CA -0.053 55.984 56.048 -0.019 0.000 1.112 161 H CB 1.019 30.763 29.762 -0.029 0.000 2.482 161 H HN -0.113 8.226 8.280 0.199 0.061 0.561 162 K N -0.264 120.178 120.400 0.071 0.000 2.283 162 K HA -0.246 4.121 4.320 0.078 0.000 0.202 162 K C -0.540 176.063 176.600 0.005 0.000 1.048 162 K CA 2.430 58.751 56.287 0.057 0.000 0.948 162 K CB 0.524 33.066 32.500 0.071 0.000 0.742 162 K HN 0.323 8.597 8.250 0.041 0.000 0.458 163 E N -3.883 116.303 120.200 -0.024 0.000 2.456 163 E HA 0.183 4.535 4.350 0.003 0.000 0.276 163 E C -1.239 175.317 176.600 -0.074 0.000 0.981 163 E CA -1.294 55.093 56.400 -0.021 0.000 0.814 163 E CB 2.785 32.482 29.700 -0.005 0.000 1.382 163 E HN -0.586 7.720 8.360 -0.033 0.034 0.459 164 K N -2.166 118.199 120.400 -0.058 0.000 2.474 164 K HA 0.170 4.435 4.320 -0.092 0.000 0.204 164 K C 0.087 176.648 176.600 -0.064 0.000 1.220 164 K CA 1.298 57.541 56.287 -0.074 0.000 0.966 164 K CB 0.681 33.138 32.500 -0.072 0.000 1.049 164 K HN 0.485 8.722 8.250 -0.021 0.000 0.554 165 C N -0.226 119.040 119.300 -0.057 0.000 3.296 165 C HA 0.142 4.567 4.460 -0.058 0.000 0.561 165 C C -1.465 173.471 174.990 -0.090 0.000 1.292 165 C CA 0.466 59.449 59.018 -0.059 0.000 2.601 165 C CB 3.150 30.872 27.740 -0.031 0.000 3.617 165 C HN 0.225 8.845 8.230 -0.052 -0.421 0.502 166 N N 1.489 120.103 118.700 -0.144 0.000 2.408 166 N HA -0.310 4.186 4.740 -0.408 0.000 0.293 166 N C -0.072 175.317 175.510 -0.201 0.000 1.433 166 N CA 1.096 54.007 53.050 -0.233 0.000 0.637 166 N CB -0.416 37.986 38.487 -0.142 0.000 0.941 166 N HN 0.203 8.900 8.380 -0.132 -0.396 0.499 167 Q N -4.134 115.498 119.800 -0.280 0.000 2.414 167 Q HA -0.451 3.839 4.340 -0.083 0.000 0.150 167 Q C -0.599 175.371 176.000 -0.049 0.000 1.083 167 Q CA 2.735 58.468 55.803 -0.117 0.000 1.241 167 Q CB -1.883 26.819 28.738 -0.059 0.000 1.177 167 Q HN 0.551 8.523 8.270 -0.495 0.000 0.985 168 L N -1.373 119.820 121.223 -0.050 0.000 1.937 168 L HA -0.183 4.148 4.340 -0.015 0.000 0.213 168 L C 1.348 178.221 176.870 0.006 0.000 1.077 168 L CA 2.390 57.218 54.840 -0.020 0.000 0.758 168 L CB 0.046 42.090 42.059 -0.025 0.000 0.888 168 L HN -0.166 7.888 8.230 -0.074 0.131 0.433 169 E N -1.618 118.593 120.200 0.018 0.000 2.022 169 E HA -0.145 4.240 4.350 0.058 0.000 0.193 169 E C -0.746 175.943 176.600 0.149 0.000 0.969 169 E CA 0.545 56.984 56.400 0.066 0.000 0.834 169 E CB 0.929 30.663 29.700 0.058 0.000 0.798 169 E HN -0.567 7.793 8.360 -0.000 0.000 0.467 170 H N -2.365 116.717 119.070 0.021 0.000 3.060 170 H HA 0.189 4.817 4.556 0.119 0.000 0.330 170 H C -1.845 173.540 175.328 0.096 0.000 1.305 170 H CA -0.701 55.395 56.048 0.079 0.000 1.209 170 H CB 1.976 31.776 29.762 0.065 0.000 1.913 170 H HN -0.225 8.127 8.280 0.121 0.000 0.534 171 H N 0.783 119.842 119.070 -0.017 0.000 2.757 171 H HA -0.045 4.697 4.556 0.103 -0.125 0.370 171 H C 0.390 175.866 175.328 0.245 0.000 1.172 171 H CA 0.932 57.032 56.048 0.088 0.000 1.426 171 H CB 1.101 30.852 29.762 -0.019 0.000 1.438 171 H HN 0.325 8.586 8.280 -0.031 0.000 0.612 172 H N 0.536 119.760 119.070 0.256 0.000 3.412 172 H HA -0.109 4.575 4.556 0.214 0.000 0.240 172 H C -0.886 174.625 175.328 0.306 0.000 1.213 172 H CA 0.653 56.834 56.048 0.222 0.000 1.497 172 H CB -1.160 28.678 29.762 0.126 0.000 1.619 172 H HN 0.675 9.643 8.280 0.439 -0.424 0.508 173 H N 6.677 125.843 119.070 0.160 0.000 3.394 173 H HA 0.099 4.670 4.556 0.026 0.000 0.354 173 H C -2.127 173.303 175.328 0.169 0.000 1.495 173 H CA -0.024 56.085 56.048 0.102 0.000 1.652 173 H CB 1.597 31.397 29.762 0.063 0.000 2.204 173 H HN -0.392 8.115 8.280 0.378 0.000 0.494 174 H N 5.353 124.426 119.070 0.006 0.000 2.544 174 H HA 0.034 4.541 4.556 -0.082 0.000 0.269 174 H C -0.129 175.171 175.328 -0.047 0.000 0.970 174 H CA 0.967 56.967 56.048 -0.080 0.000 1.219 174 H CB 0.609 30.311 29.762 -0.099 0.000 1.421 174 H HN 0.519 8.934 8.280 0.224 0.000 0.555 175 H N 0.000 118.972 119.070 -0.164 0.000 2.539 175 H HA 0.000 4.446 4.556 -0.184 0.000 0.296 175 H CA 0.000 55.919 56.048 -0.214 0.000 1.023 175 H CB 0.000 29.740 29.762 -0.037 0.000 1.292 175 H HN 0.000 8.209 8.280 -0.060 0.035 0.496