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 3p9y_1_A DATA FIRST_RESID -2 DATA SEQUENCE GSHMTDPSKL AVAVVDSSNM NRSMEAHNFL AKKGFNVRSY GTGERVKLPG DATA SEQUENCE MAFDKPNVYE FGTKYEDIYR DLESKDKEFY TQNGLLHMLD RNRRIKKCPE DATA SEQUENCE RFQDTKEQFD IIVTVEERVY DLVVMHMESM ESVDNRPVHV LNVDVVNNAE DATA SEQUENCE DALMGAFVIT DMINMMAKST DLDNDIDELI QEFEERRKRV ILHSVLFY 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 -2 G HA2 0.000 nan 3.960 nan 0.000 0.244 -2 G HA3 0.000 3.942 3.960 -0.030 0.000 0.244 -2 G C 0.000 174.841 174.900 -0.099 0.000 0.946 -2 G CA 0.000 45.072 45.100 -0.047 0.000 0.502 -1 S N -1.157 114.447 115.700 -0.160 0.000 2.496 -1 S HA 0.021 4.315 4.470 -0.294 0.000 0.224 -1 S C -0.105 174.116 174.600 -0.633 0.000 0.996 -1 S CA 0.543 58.512 58.200 -0.385 0.000 0.927 -1 S CB 0.247 63.167 63.200 -0.466 0.000 0.774 -1 S HN 0.317 8.560 8.310 -0.113 0.000 0.524 0 H N -0.314 118.729 119.070 -0.044 0.000 2.928 0 H HA 0.211 4.732 4.556 -0.058 0.000 0.371 0 H C -1.213 174.071 175.328 -0.073 0.000 1.186 0 H CA -0.907 55.106 56.048 -0.058 0.000 1.134 0 H CB 2.151 31.878 29.762 -0.059 0.000 1.824 0 H HN -0.760 7.446 8.280 -0.062 0.037 0.554 1 M N 1.108 120.730 119.600 0.036 0.000 2.240 1 M HA -0.008 4.444 4.480 -0.047 0.000 0.317 1 M C 0.484 176.731 176.300 -0.088 0.000 1.087 1 M CA 1.379 56.650 55.300 -0.049 0.000 1.176 1 M CB 0.839 33.384 32.600 -0.091 0.000 1.439 1 M HN 0.422 8.738 8.290 0.043 0.000 0.452 2 T N 1.915 116.391 114.554 -0.131 0.000 2.921 2 T HA 0.068 4.325 4.350 -0.155 0.000 0.297 2 T C -1.524 173.051 174.700 -0.209 0.000 1.013 2 T CA -0.625 61.388 62.100 -0.145 0.000 0.990 2 T CB 1.424 70.251 68.868 -0.069 0.000 1.023 2 T HN 0.066 8.231 8.240 -0.125 0.000 0.447 3 D N 6.903 127.141 120.400 -0.269 0.000 2.336 3 D HA 0.364 4.850 4.640 -0.258 0.000 0.249 3 D C 0.360 176.624 176.300 -0.060 0.000 1.213 3 D CA -2.941 50.923 54.000 -0.226 0.000 0.870 3 D CB 1.393 42.060 40.800 -0.221 0.000 1.076 3 D HN 0.400 8.611 8.370 -0.264 0.000 0.483 4 P HA 0.010 4.427 4.420 -0.004 0.000 0.223 4 P C -0.042 177.276 177.300 0.030 0.000 1.151 4 P CA 1.348 64.451 63.100 0.005 0.000 0.787 4 P CB 0.304 32.011 31.700 0.012 0.000 0.788 5 S N -2.334 113.399 115.700 0.056 0.000 2.548 5 S HA 0.030 4.536 4.470 0.059 0.000 0.215 5 S C -0.878 173.768 174.600 0.077 0.000 0.976 5 S CA -0.256 57.987 58.200 0.072 0.000 0.908 5 S CB 0.489 63.746 63.200 0.095 0.000 0.781 5 S HN -0.506 8.097 8.310 0.069 -0.251 0.519 6 K N -2.221 118.221 120.400 0.071 0.000 3.012 6 K HA -0.410 3.949 4.320 0.066 0.000 0.259 6 K C -0.559 176.104 176.600 0.105 0.000 0.989 6 K CA 0.554 56.884 56.287 0.072 0.000 0.728 6 K CB -3.134 29.393 32.500 0.044 0.000 1.260 6 K HN -0.532 7.669 8.250 0.056 0.082 0.480 7 L N -2.698 118.615 121.223 0.150 0.000 2.525 7 L HA -0.331 4.234 4.340 0.137 -0.143 0.278 7 L C -0.237 176.737 176.870 0.173 0.000 1.218 7 L CA 0.593 55.529 54.840 0.160 0.000 0.878 7 L CB 0.157 42.319 42.059 0.171 0.000 1.127 7 L HN -0.627 7.884 8.230 0.172 -0.178 0.492 8 A N 3.073 125.997 122.820 0.173 0.000 2.260 8 A HA 0.388 4.838 4.320 0.216 0.000 0.312 8 A C -1.255 176.531 177.584 0.337 0.000 1.321 8 A CA -1.237 50.940 52.037 0.233 0.000 0.928 8 A CB 0.866 19.967 19.000 0.169 0.000 1.158 8 A HN 0.127 8.694 8.150 0.160 -0.322 0.542 9 V N 4.724 124.800 119.914 0.270 0.000 2.581 9 V HA 0.789 5.153 4.120 0.097 -0.186 0.303 9 V C -1.632 174.418 176.094 -0.074 0.000 1.041 9 V CA -2.080 60.278 62.300 0.095 0.000 0.907 9 V CB 3.517 35.319 31.823 -0.035 0.000 0.994 9 V HN 0.390 8.723 8.190 0.239 0.000 0.442 10 A N 4.952 127.539 122.820 -0.389 0.000 2.401 10 A HA 1.153 5.462 4.320 -0.421 -0.242 0.310 10 A C -1.930 175.473 177.584 -0.302 0.000 1.075 10 A CA -2.621 49.082 52.037 -0.557 0.000 0.746 10 A CB 3.829 22.094 19.000 -1.225 0.000 1.277 10 A HN 0.475 8.428 8.150 -0.329 0.000 0.425 11 V N 1.294 121.083 119.914 -0.207 0.000 2.540 11 V HA 0.806 5.026 4.120 -0.146 -0.188 0.302 11 V C -1.217 174.837 176.094 -0.066 0.000 1.035 11 V CA -1.693 60.527 62.300 -0.134 0.000 0.873 11 V CB 2.801 34.561 31.823 -0.105 0.000 0.992 11 V HN 0.062 8.129 8.190 -0.204 0.000 0.428 12 V N 5.325 125.197 119.914 -0.070 0.000 2.638 12 V HA 0.830 5.208 4.120 0.046 -0.230 0.306 12 V C -1.268 174.822 176.094 -0.006 0.000 1.052 12 V CA -1.927 60.354 62.300 -0.033 0.000 0.885 12 V CB 2.790 34.499 31.823 -0.190 0.000 0.999 12 V HN 0.486 8.623 8.190 -0.088 0.000 0.424 13 D N 5.761 126.194 120.400 0.054 0.000 3.035 13 D HA 0.370 5.036 4.640 0.042 0.000 0.248 13 D C -0.274 176.087 176.300 0.103 0.000 1.260 13 D CA -1.556 52.483 54.000 0.065 0.000 1.058 13 D CB 1.238 42.080 40.800 0.070 0.000 1.262 13 D HN 0.208 8.633 8.370 0.093 0.000 0.633 14 S N -1.369 114.403 115.700 0.120 0.000 2.384 14 S HA 0.055 4.616 4.470 0.152 0.000 0.217 14 S C 1.481 176.237 174.600 0.260 0.000 1.041 14 S CA 2.157 60.451 58.200 0.157 0.000 0.948 14 S CB 0.277 63.547 63.200 0.117 0.000 0.872 14 S HN 0.371 8.744 8.310 0.105 0.000 0.512 15 S N -1.035 114.786 115.700 0.202 0.000 2.539 15 S HA 0.043 4.644 4.470 0.219 0.000 0.221 15 S C -1.048 173.660 174.600 0.181 0.000 0.987 15 S CA 0.070 58.368 58.200 0.164 0.000 0.929 15 S CB 0.459 63.685 63.200 0.043 0.000 0.832 15 S HN -0.285 8.115 8.310 0.150 0.000 0.492 16 N N 0.827 119.673 118.700 0.243 0.000 2.725 16 N HA -0.384 4.669 4.740 0.200 -0.193 0.251 16 N C -1.609 174.026 175.510 0.208 0.000 1.031 16 N CA 1.436 54.631 53.050 0.242 0.000 0.720 16 N CB -1.029 37.673 38.487 0.359 0.000 0.930 16 N HN 0.123 8.956 8.380 0.228 -0.316 0.543 17 M N -5.002 114.678 119.600 0.132 0.000 2.902 17 M HA -0.026 4.536 4.480 0.137 0.000 0.225 17 M C -0.134 176.178 176.300 0.021 0.000 1.711 17 M CA 1.796 57.153 55.300 0.094 0.000 1.213 17 M CB 1.248 33.894 32.600 0.077 0.000 1.265 17 M HN -0.726 7.740 8.290 0.113 -0.109 0.577 18 N N -1.120 117.600 118.700 0.033 0.000 2.531 18 N HA -0.132 4.606 4.740 -0.003 0.000 0.223 18 N C 1.825 177.348 175.510 0.021 0.000 1.023 18 N CA 2.264 55.324 53.050 0.017 0.000 1.124 18 N CB 0.520 39.023 38.487 0.028 0.000 1.427 18 N HN -0.094 8.316 8.380 0.050 0.000 0.558 19 R N -0.366 120.154 120.500 0.032 0.000 2.073 19 R HA -0.347 4.007 4.340 0.023 0.000 0.234 19 R C 2.159 178.475 176.300 0.027 0.000 1.134 19 R CA 4.040 60.156 56.100 0.027 0.000 0.952 19 R CB 0.020 30.337 30.300 0.027 0.000 0.850 19 R HN 0.454 8.747 8.270 0.038 0.000 0.433 20 S N -0.844 114.880 115.700 0.040 0.000 2.402 20 S HA -0.225 4.259 4.470 0.024 0.000 0.229 20 S C 2.048 176.688 174.600 0.068 0.000 1.021 20 S CA 3.003 61.230 58.200 0.044 0.000 0.974 20 S CB -0.052 63.186 63.200 0.063 0.000 0.800 20 S HN -0.097 8.565 8.310 0.050 -0.323 0.484 21 M N 1.711 121.340 119.600 0.048 0.000 2.334 21 M HA -0.017 4.499 4.480 0.061 0.000 0.266 21 M C 2.233 178.547 176.300 0.023 0.000 1.082 21 M CA 0.762 56.073 55.300 0.018 0.000 1.141 21 M CB -1.304 31.245 32.600 -0.085 0.000 1.380 21 M HN -0.792 7.498 8.290 0.034 0.020 0.440 22 E N 0.842 121.055 120.200 0.022 0.000 2.051 22 E HA -0.305 4.068 4.350 0.039 0.000 0.192 22 E C 1.851 178.497 176.600 0.076 0.000 0.991 22 E CA 3.234 59.659 56.400 0.041 0.000 0.799 22 E CB -0.322 29.398 29.700 0.034 0.000 0.748 22 E HN -0.269 8.101 8.360 0.016 0.000 0.449 23 A N -1.259 121.594 122.820 0.054 0.000 1.930 23 A HA -0.317 4.022 4.320 0.033 0.000 0.217 23 A C 1.282 178.931 177.584 0.109 0.000 1.175 23 A CA 3.227 55.292 52.037 0.047 0.000 0.627 23 A CB -0.640 18.355 19.000 -0.009 0.000 0.815 23 A HN -0.558 7.616 8.150 0.040 0.000 0.443 24 H N -0.389 118.682 119.070 0.001 0.000 2.290 24 H HA -0.440 4.114 4.556 -0.003 0.000 0.298 24 H C 1.940 177.281 175.328 0.020 0.000 1.087 24 H CA 3.951 59.998 56.048 -0.003 0.000 1.291 24 H CB 0.265 30.007 29.762 -0.032 0.000 1.369 24 H HN -0.090 8.218 8.280 0.179 0.079 0.492 25 N N -1.506 117.322 118.700 0.213 0.000 2.084 25 N HA -0.387 4.406 4.740 0.087 0.000 0.190 25 N C 1.875 177.453 175.510 0.112 0.000 1.030 25 N CA 3.306 56.422 53.050 0.109 0.000 0.849 25 N CB -0.010 38.497 38.487 0.033 0.000 1.012 25 N HN -0.437 8.042 8.380 0.164 0.000 0.423 26 F N 0.634 120.576 119.950 -0.012 0.000 2.084 26 F HA -0.327 4.152 4.527 -0.080 0.000 0.296 26 F C 1.644 177.443 175.800 -0.003 0.000 1.111 26 F CA 3.945 61.906 58.000 -0.065 0.000 1.224 26 F CB 0.464 39.368 39.000 -0.160 0.000 0.991 26 F HN -0.614 7.853 8.300 0.278 0.000 0.471 27 L N -2.102 119.280 121.223 0.265 0.000 2.043 27 L HA -0.535 4.003 4.340 0.331 0.000 0.212 27 L C 2.181 179.195 176.870 0.240 0.000 1.075 27 L CA 3.319 58.305 54.840 0.244 0.000 0.752 27 L CB -0.449 41.663 42.059 0.087 0.000 0.891 27 L HN -0.124 8.259 8.230 0.255 0.000 0.432 28 A N -1.572 121.338 122.820 0.151 0.000 1.902 28 A HA -0.175 4.372 4.320 0.110 -0.161 0.217 28 A C 2.789 180.382 177.584 0.014 0.000 1.181 28 A CA 2.567 54.666 52.037 0.103 0.000 0.623 28 A CB -0.476 18.610 19.000 0.143 0.000 0.818 28 A HN -0.151 8.095 8.150 0.161 0.000 0.443 29 K N -2.519 117.856 120.400 -0.041 0.000 2.211 29 K HA -0.251 4.018 4.320 -0.085 0.000 0.203 29 K C 1.435 177.958 176.600 -0.130 0.000 1.050 29 K CA 2.624 58.840 56.287 -0.118 0.000 0.945 29 K CB -0.085 32.280 32.500 -0.224 0.000 0.732 29 K HN -0.564 7.662 8.250 -0.040 0.000 0.451 30 K N -5.518 114.827 120.400 -0.092 0.000 2.458 30 K HA 0.028 4.285 4.320 -0.106 0.000 0.194 30 K C 0.022 176.517 176.600 -0.175 0.000 1.024 30 K CA -1.691 54.559 56.287 -0.062 0.000 1.108 30 K CB -0.581 31.989 32.500 0.116 0.000 0.846 30 K HN -0.649 7.460 8.250 -0.040 0.118 0.518 31 G N -2.366 106.347 108.800 -0.145 0.000 2.141 31 G HA2 -0.323 3.546 3.960 -0.153 0.000 0.231 31 G HA3 -0.323 3.598 3.960 -0.288 -0.133 0.231 31 G C -0.523 174.198 174.900 -0.300 0.000 0.984 31 G CA 0.100 45.060 45.100 -0.233 0.000 0.660 31 G HN -0.431 7.636 8.290 -0.067 0.182 0.525 32 F N -0.104 119.839 119.950 -0.012 0.000 2.375 32 F HA 0.018 4.548 4.527 0.004 0.000 0.333 32 F C -0.762 175.033 175.800 -0.008 0.000 1.104 32 F CA 0.122 58.120 58.000 -0.003 0.000 1.149 32 F CB 0.546 39.547 39.000 0.000 0.000 1.190 32 F HN -0.674 7.700 8.300 0.124 0.000 0.533 33 N N 2.960 121.784 118.700 0.207 0.000 2.421 33 N HA 0.020 4.817 4.740 0.096 0.000 0.260 33 N C -2.065 173.522 175.510 0.129 0.000 1.173 33 N CA -0.225 52.905 53.050 0.134 0.000 0.960 33 N CB -0.105 38.454 38.487 0.120 0.000 1.273 33 N HN 0.561 9.083 8.380 0.236 0.000 0.497 34 V N 4.447 124.385 119.914 0.039 0.000 2.735 34 V HA 0.837 5.172 4.120 -0.030 -0.233 0.310 34 V C -2.027 173.908 176.094 -0.264 0.000 1.061 34 V CA -2.979 59.257 62.300 -0.108 0.000 0.913 34 V CB 2.918 34.617 31.823 -0.208 0.000 1.005 34 V HN -0.208 7.998 8.190 0.027 0.000 0.428 35 R N 4.724 125.100 120.500 -0.208 0.000 2.854 35 R HA 0.404 4.588 4.340 -0.260 0.000 0.271 35 R C -1.930 174.148 176.300 -0.370 0.000 0.994 35 R CA -1.729 54.242 56.100 -0.214 0.000 0.945 35 R CB 4.469 34.878 30.300 0.182 0.000 1.194 35 R HN 0.383 8.574 8.270 -0.131 0.000 0.476 36 S N -1.018 114.421 115.700 -0.436 0.000 2.570 36 S HA 1.081 5.630 4.470 -0.215 -0.208 0.286 36 S C -1.814 172.401 174.600 -0.641 0.000 1.099 36 S CA -1.747 56.266 58.200 -0.313 0.000 0.913 36 S CB 2.852 66.090 63.200 0.063 0.000 1.085 36 S HN 0.204 8.273 8.310 -0.401 0.000 0.480 37 Y N -3.371 117.000 120.300 0.118 0.000 2.670 37 Y HA 0.370 5.170 4.550 0.197 -0.132 0.334 37 Y C -0.993 174.996 175.900 0.148 0.000 1.185 37 Y CA -0.955 57.240 58.100 0.158 0.000 1.053 37 Y CB 4.369 42.946 38.460 0.196 0.000 1.298 37 Y HN 0.092 8.440 8.280 0.113 0.000 0.459 38 G N -2.306 106.713 108.800 0.364 0.000 2.511 38 G HA2 0.771 5.087 3.960 0.243 0.000 0.318 38 G HA3 0.771 5.129 3.960 0.473 -0.114 0.318 38 G C -1.410 173.572 174.900 0.137 0.000 1.210 38 G CA -1.769 43.517 45.100 0.310 0.000 0.969 38 G HN 0.192 8.707 8.290 0.376 0.000 0.484 39 T N -2.465 112.165 114.554 0.126 0.000 2.975 39 T HA 0.532 5.062 4.350 -0.013 -0.187 0.257 39 T C 0.732 175.470 174.700 0.062 0.000 1.003 39 T CA -1.879 60.246 62.100 0.042 0.000 0.932 39 T CB 1.571 70.461 68.868 0.037 0.000 1.087 39 T HN -0.224 8.038 8.240 0.166 0.077 0.512 40 G N 1.637 110.551 108.800 0.191 0.000 2.699 40 G HA2 -0.092 3.960 3.960 0.153 0.000 0.246 40 G HA3 -0.092 4.036 3.960 0.280 0.000 0.246 40 G C 0.623 175.680 174.900 0.262 0.000 1.219 40 G CA -0.683 44.554 45.100 0.228 0.000 0.866 40 G HN -0.550 7.899 8.290 0.265 0.000 0.572 41 E N -0.989 119.336 120.200 0.209 0.000 2.152 41 E HA -0.202 4.233 4.350 0.141 0.000 0.192 41 E C 0.065 176.869 176.600 0.340 0.000 0.983 41 E CA 2.642 59.158 56.400 0.193 0.000 0.818 41 E CB 0.271 30.040 29.700 0.114 0.000 0.758 41 E HN 0.474 8.933 8.360 0.165 0.000 0.467 42 R N -5.411 115.285 120.500 0.326 0.000 2.774 42 R HA 0.183 4.659 4.340 0.226 0.000 0.272 42 R C -1.572 174.693 176.300 -0.058 0.000 1.000 42 R CA -1.449 54.752 56.100 0.168 0.000 0.906 42 R CB 3.688 34.025 30.300 0.062 0.000 1.227 42 R HN -0.601 7.814 8.270 0.268 0.016 0.468 43 V N 2.044 121.726 119.914 -0.386 0.000 2.508 43 V HA -0.076 3.831 4.120 -0.355 0.000 0.281 43 V C -1.048 175.010 176.094 -0.060 0.000 1.041 43 V CA 0.613 62.708 62.300 -0.341 0.000 1.016 43 V CB 0.375 31.945 31.823 -0.422 0.000 0.984 43 V HN 0.187 8.121 8.190 -0.427 0.000 0.478 44 K N 7.198 127.587 120.400 -0.018 0.000 2.545 44 K HA 0.429 4.893 4.320 0.007 -0.140 0.252 44 K C -0.922 175.697 176.600 0.032 0.000 0.948 44 K CA -1.089 55.203 56.287 0.008 0.000 0.827 44 K CB 2.347 34.840 32.500 -0.011 0.000 1.128 44 K HN -0.154 8.082 8.250 -0.023 0.000 0.429 45 L N 4.369 125.631 121.223 0.066 0.000 2.330 45 L HA 0.522 4.897 4.340 0.059 0.000 0.271 45 L C -2.408 174.501 176.870 0.066 0.000 1.013 45 L CA -3.165 51.720 54.840 0.075 0.000 0.816 45 L CB 1.072 43.195 42.059 0.106 0.000 1.287 45 L HN 0.341 8.624 8.230 0.088 0.000 0.435 46 P HA 0.011 4.440 4.420 0.014 0.000 0.272 46 P C -1.004 176.425 177.300 0.215 0.000 1.230 46 P CA -0.491 62.661 63.100 0.088 0.000 0.788 46 P CB 0.746 32.502 31.700 0.093 0.000 0.949 47 G N -1.710 107.211 108.800 0.202 0.000 3.212 47 G HA2 0.311 4.569 3.960 0.497 0.000 0.188 47 G HA3 0.311 4.584 3.960 0.195 -0.196 0.188 47 G C -0.823 174.241 174.900 0.274 0.000 1.254 47 G CA -0.476 44.804 45.100 0.300 0.000 0.957 47 G HN -0.117 8.246 8.290 0.122 0.000 0.596 48 M N -0.589 119.029 119.600 0.030 0.000 2.514 48 M HA 0.030 4.374 4.480 -0.226 0.000 0.258 48 M C -0.195 176.082 176.300 -0.038 0.000 1.119 48 M CA 1.452 56.614 55.300 -0.231 0.000 1.111 48 M CB 0.651 32.895 32.600 -0.594 0.000 1.390 48 M HN 0.347 8.641 8.290 0.006 0.000 0.475 49 A N -2.298 120.538 122.820 0.026 0.000 2.498 49 A HA 0.333 4.712 4.320 0.098 0.000 0.298 49 A C -0.759 176.898 177.584 0.121 0.000 1.075 49 A CA -1.031 51.052 52.037 0.077 0.000 0.714 49 A CB 2.079 21.107 19.000 0.046 0.000 1.299 49 A HN -0.917 7.220 8.150 0.026 0.028 0.407 50 F N 1.166 121.138 119.950 0.037 0.000 2.126 50 F HA -0.351 4.208 4.527 0.052 0.000 0.299 50 F C -0.251 175.568 175.800 0.032 0.000 1.096 50 F CA 2.490 60.514 58.000 0.040 0.000 1.255 50 F CB 0.373 39.393 39.000 0.033 0.000 0.997 50 F HN 0.462 8.949 8.300 0.313 0.000 0.479 51 D N -3.277 117.248 120.400 0.208 0.000 2.319 51 D HA -0.064 4.623 4.640 0.079 0.000 0.230 51 D C -0.428 175.876 176.300 0.006 0.000 1.094 51 D CA 0.233 54.299 54.000 0.109 0.000 0.856 51 D CB -0.925 39.967 40.800 0.154 0.000 0.915 51 D HN 0.201 8.723 8.370 0.252 0.000 0.517 52 K N 0.018 120.406 120.400 -0.019 0.000 2.877 52 K HA 0.526 4.829 4.320 -0.029 0.000 0.176 52 K C -2.577 174.001 176.600 -0.036 0.000 1.075 52 K CA -3.069 53.203 56.287 -0.024 0.000 0.939 52 K CB -0.265 32.232 32.500 -0.005 0.000 1.237 52 K HN -0.396 7.655 8.250 -0.017 0.188 0.607 53 P HA 0.176 4.637 4.420 -0.042 -0.067 0.277 53 P C -0.933 176.323 177.300 -0.072 0.000 1.240 53 P CA -0.964 62.093 63.100 -0.072 0.000 0.798 53 P CB 0.870 32.500 31.700 -0.116 0.000 0.979 54 N N 2.088 120.762 118.700 -0.044 0.000 2.406 54 N HA 0.141 4.744 4.740 -0.229 0.000 0.251 54 N C -1.329 174.013 175.510 -0.280 0.000 1.069 54 N CA 0.085 53.045 53.050 -0.150 0.000 0.947 54 N CB 0.661 39.159 38.487 0.017 0.000 1.111 54 N HN 0.041 8.430 8.380 0.014 0.000 0.497 55 V N 3.723 123.326 119.914 -0.519 0.000 2.459 55 V HA 0.772 4.960 4.120 -0.213 -0.195 0.295 55 V C -0.365 175.322 176.094 -0.678 0.000 1.029 55 V CA -1.119 60.941 62.300 -0.401 0.000 0.874 55 V CB 2.059 33.754 31.823 -0.214 0.000 0.985 55 V HN 0.305 8.172 8.190 -0.538 0.000 0.438 56 Y N 5.270 125.505 120.300 -0.107 0.000 2.609 56 Y HA 0.268 4.768 4.550 -0.082 0.000 0.342 56 Y C -1.275 174.544 175.900 -0.134 0.000 1.058 56 Y CA -1.794 56.238 58.100 -0.114 0.000 1.055 56 Y CB 3.776 42.154 38.460 -0.138 0.000 1.292 56 Y HN 0.659 8.949 8.280 0.017 0.000 0.476 57 E N -1.258 118.987 120.200 0.074 0.000 2.349 57 E HA 0.227 4.618 4.350 0.068 0.000 0.265 57 E C 0.051 176.650 176.600 -0.002 0.000 1.064 57 E CA -1.528 54.905 56.400 0.054 0.000 0.886 57 E CB 1.559 31.305 29.700 0.078 0.000 1.036 57 E HN 0.491 8.916 8.360 0.107 0.000 0.413 58 F N 0.689 120.655 119.950 0.026 0.000 2.563 58 F HA -0.458 4.057 4.527 -0.019 0.000 0.363 58 F C 1.504 177.292 175.800 -0.021 0.000 1.123 58 F CA 2.697 60.697 58.000 -0.000 0.000 1.307 58 F CB 0.346 39.359 39.000 0.022 0.000 1.115 58 F HN 0.235 8.756 8.300 0.368 0.000 0.592 59 G N 3.631 112.486 108.800 0.091 0.000 2.254 59 G HA2 -0.381 3.589 3.960 0.017 0.000 0.225 59 G HA3 -0.381 3.609 3.960 0.050 0.000 0.225 59 G C -0.304 174.560 174.900 -0.061 0.000 1.003 59 G CA -0.305 44.808 45.100 0.021 0.000 0.622 59 G HN 0.143 8.465 8.290 0.053 0.000 0.507 60 T N 5.569 120.065 114.554 -0.096 0.000 2.829 60 T HA -0.224 4.074 4.350 -0.087 0.000 0.293 60 T C -0.341 174.210 174.700 -0.249 0.000 0.970 60 T CA 1.449 63.467 62.100 -0.136 0.000 1.168 60 T CB 0.095 68.886 68.868 -0.129 0.000 0.911 60 T HN -0.534 7.593 8.240 -0.081 0.065 0.535 61 K N 6.677 126.966 120.400 -0.185 0.000 2.485 61 K HA -0.275 4.052 4.320 -0.240 -0.151 0.277 61 K C 1.457 177.925 176.600 -0.219 0.000 0.990 61 K CA 1.113 57.283 56.287 -0.194 0.000 0.994 61 K CB 0.342 32.791 32.500 -0.086 0.000 0.906 61 K HN 0.408 8.583 8.250 -0.125 0.000 0.488 62 Y N 2.930 123.167 120.300 -0.105 0.000 2.256 62 Y HA -0.437 4.020 4.550 -0.155 0.000 0.288 62 Y C 2.022 177.872 175.900 -0.082 0.000 1.155 62 Y CA 4.164 62.195 58.100 -0.116 0.000 1.203 62 Y CB -0.390 38.013 38.460 -0.095 0.000 0.980 62 Y HN -0.053 8.087 8.280 -0.233 0.000 0.530 63 E N -1.262 118.979 120.200 0.067 0.000 2.110 63 E HA -0.416 3.930 4.350 -0.006 0.000 0.193 63 E C 2.016 178.636 176.600 0.033 0.000 0.988 63 E CA 3.396 59.803 56.400 0.013 0.000 0.804 63 E CB -0.509 29.171 29.700 -0.033 0.000 0.745 63 E HN 0.206 8.582 8.360 0.055 0.017 0.458 64 D N -0.648 119.742 120.400 -0.018 0.000 2.149 64 D HA -0.172 4.471 4.640 0.005 0.000 0.201 64 D C 2.547 178.805 176.300 -0.070 0.000 0.972 64 D CA 2.963 56.946 54.000 -0.028 0.000 0.835 64 D CB -0.354 40.418 40.800 -0.047 0.000 0.966 64 D HN -0.770 7.483 8.370 -0.042 0.091 0.476 65 I N 0.241 120.698 120.570 -0.188 0.000 2.315 65 I HA -0.524 3.348 4.170 -0.496 0.000 0.248 65 I C 1.231 177.255 176.117 -0.155 0.000 1.117 65 I CA 3.898 64.967 61.300 -0.384 0.000 1.404 65 I CB -0.069 37.550 38.000 -0.634 0.000 1.071 65 I HN -0.588 7.508 8.210 -0.191 0.000 0.419 66 Y N 0.269 120.481 120.300 -0.146 0.000 2.097 66 Y HA -0.600 3.893 4.550 -0.095 0.000 0.282 66 Y C 1.660 177.523 175.900 -0.061 0.000 1.152 66 Y CA 4.496 62.544 58.100 -0.087 0.000 1.136 66 Y CB 0.109 38.541 38.460 -0.047 0.000 0.975 66 Y HN -0.275 8.078 8.280 0.122 0.000 0.498 67 R N -2.283 118.358 120.500 0.234 0.000 2.081 67 R HA -0.415 4.052 4.340 0.211 0.000 0.235 67 R C 2.269 178.592 176.300 0.039 0.000 1.131 67 R CA 3.446 59.636 56.100 0.151 0.000 0.960 67 R CB -0.300 30.067 30.300 0.112 0.000 0.856 67 R HN -0.467 7.940 8.270 0.229 0.000 0.436 68 D N -0.452 119.953 120.400 0.009 0.000 2.104 68 D HA -0.215 4.446 4.640 0.034 0.000 0.194 68 D C 2.447 178.721 176.300 -0.043 0.000 0.994 68 D CA 3.073 57.081 54.000 0.013 0.000 0.830 68 D CB -0.074 40.772 40.800 0.077 0.000 0.959 68 D HN -0.500 7.872 8.370 0.004 0.000 0.452 69 L N -2.003 119.119 121.223 -0.168 0.000 2.240 69 L HA -0.275 3.851 4.340 -0.356 0.000 0.211 69 L C 1.935 178.737 176.870 -0.114 0.000 1.106 69 L CA 2.486 57.112 54.840 -0.356 0.000 0.793 69 L CB -0.221 41.377 42.059 -0.768 0.000 0.927 69 L HN -0.500 7.617 8.230 -0.189 0.000 0.446 70 E N 0.190 120.318 120.200 -0.121 0.000 2.072 70 E HA -0.457 3.875 4.350 -0.031 0.000 0.191 70 E C 1.997 178.624 176.600 0.046 0.000 0.985 70 E CA 3.386 59.759 56.400 -0.045 0.000 0.801 70 E CB 0.147 29.810 29.700 -0.062 0.000 0.750 70 E HN -0.326 7.829 8.360 -0.160 0.109 0.452 71 S N -1.581 114.144 115.700 0.041 0.000 2.406 71 S HA -0.184 4.319 4.470 0.055 0.000 0.228 71 S C 2.122 176.764 174.600 0.070 0.000 1.020 71 S CA 2.620 60.852 58.200 0.054 0.000 0.965 71 S CB -0.414 62.813 63.200 0.044 0.000 0.798 71 S HN -0.431 7.895 8.310 0.026 0.000 0.488 72 K N 0.835 121.289 120.400 0.090 0.000 1.991 72 K HA -0.197 4.177 4.320 0.090 0.000 0.212 72 K C 0.288 176.982 176.600 0.156 0.000 1.049 72 K CA 2.267 58.633 56.287 0.130 0.000 0.932 72 K CB 0.637 33.253 32.500 0.193 0.000 0.717 72 K HN -0.746 7.547 8.250 0.072 0.000 0.441 73 D N -3.963 116.584 120.400 0.246 0.000 2.684 73 D HA 0.119 4.832 4.640 0.120 0.000 0.233 73 D C -1.351 175.099 176.300 0.250 0.000 1.374 73 D CA 0.092 54.206 54.000 0.189 0.000 0.906 73 D CB 0.296 41.151 40.800 0.091 0.000 1.526 73 D HN -0.448 8.113 8.370 0.318 0.000 0.518 74 K N 4.812 125.308 120.400 0.159 0.000 2.044 74 K HA -0.470 3.923 4.320 0.121 0.000 0.210 74 K C 1.151 177.816 176.600 0.108 0.000 1.049 74 K CA 3.804 60.163 56.287 0.120 0.000 0.927 74 K CB 0.085 32.628 32.500 0.071 0.000 0.713 74 K HN -0.121 8.202 8.250 0.121 0.000 0.443 75 E N -2.062 118.192 120.200 0.091 0.000 2.106 75 E HA -0.286 4.090 4.350 0.042 0.000 0.192 75 E C 1.997 178.626 176.600 0.048 0.000 0.984 75 E CA 2.897 59.334 56.400 0.061 0.000 0.806 75 E CB -0.071 29.662 29.700 0.055 0.000 0.750 75 E HN -0.426 8.067 8.360 0.090 -0.079 0.458 76 F N 0.940 120.823 119.950 -0.112 0.000 2.146 76 F HA -0.344 4.074 4.527 -0.181 0.000 0.298 76 F C 1.696 177.329 175.800 -0.277 0.000 1.096 76 F CA 3.429 61.282 58.000 -0.245 0.000 1.275 76 F CB 0.498 39.248 39.000 -0.417 0.000 1.008 76 F HN -0.716 7.939 8.300 0.183 -0.246 0.480 77 Y N -4.802 115.513 120.300 0.026 0.000 2.529 77 Y HA 0.046 4.663 4.550 -0.188 -0.180 0.290 77 Y C 1.701 177.528 175.900 -0.122 0.000 1.177 77 Y CA 1.419 59.468 58.100 -0.086 0.000 1.305 77 Y CB -1.045 37.413 38.460 -0.003 0.000 1.047 77 Y HN -0.477 7.878 8.280 0.125 0.000 0.522 78 T N 2.609 117.164 114.554 0.003 0.000 2.901 78 T HA -0.220 4.138 4.350 0.014 0.000 0.252 78 T C 1.761 176.426 174.700 -0.059 0.000 1.035 78 T CA 4.181 66.275 62.100 -0.009 0.000 1.142 78 T CB -0.033 68.839 68.868 0.007 0.000 0.869 78 T HN -0.550 7.530 8.240 -0.001 0.160 0.442 79 Q N -0.279 119.448 119.800 -0.122 0.000 2.167 79 Q HA -0.172 4.113 4.340 -0.091 0.000 0.202 79 Q C 1.846 177.737 176.000 -0.181 0.000 0.970 79 Q CA 2.217 57.937 55.803 -0.139 0.000 0.855 79 Q CB -0.174 28.476 28.738 -0.146 0.000 0.911 79 Q HN -0.518 7.668 8.270 -0.140 0.000 0.438 80 N N -3.254 115.272 118.700 -0.289 0.000 2.412 80 N HA -0.051 4.561 4.740 -0.213 0.000 0.184 80 N C 0.528 175.976 175.510 -0.104 0.000 1.101 80 N CA -0.273 52.622 53.050 -0.258 0.000 0.881 80 N CB -0.086 38.121 38.487 -0.468 0.000 0.969 80 N HN -0.592 7.565 8.380 -0.372 0.000 0.459 81 G N -1.743 107.026 108.800 -0.051 0.000 2.176 81 G HA2 -0.304 3.685 3.960 0.048 0.000 0.232 81 G HA3 -0.304 3.675 3.960 0.033 0.000 0.232 81 G C 0.397 175.338 174.900 0.067 0.000 0.986 81 G CA 0.259 45.377 45.100 0.030 0.000 0.643 81 G HN -0.757 7.351 8.290 -0.066 0.142 0.522 82 L N 1.493 122.750 121.223 0.057 0.000 2.093 82 L HA -0.370 3.997 4.340 0.044 0.000 0.208 82 L C 1.156 178.039 176.870 0.021 0.000 1.085 82 L CA 2.916 57.789 54.840 0.055 0.000 0.755 82 L CB -0.394 41.727 42.059 0.105 0.000 0.904 82 L HN -0.550 7.984 8.230 0.054 -0.271 0.435 83 L N -2.684 118.542 121.223 0.005 0.000 2.093 83 L HA -0.483 3.743 4.340 -0.189 0.000 0.208 83 L C 1.900 178.884 176.870 0.190 0.000 1.085 83 L CA 3.572 58.378 54.840 -0.057 0.000 0.755 83 L CB -0.519 41.420 42.059 -0.199 0.000 0.904 83 L HN -0.396 7.849 8.230 0.025 0.000 0.435 84 H N -0.885 118.230 119.070 0.074 0.000 2.357 84 H HA -0.309 4.309 4.556 0.102 0.000 0.301 84 H C 1.620 176.971 175.328 0.037 0.000 1.082 84 H CA 3.327 59.417 56.048 0.071 0.000 1.342 84 H CB -0.080 29.703 29.762 0.036 0.000 1.389 84 H HN -0.445 7.969 8.280 0.224 0.000 0.511 85 M N 0.095 119.635 119.600 -0.100 0.000 2.080 85 M HA -0.438 3.873 4.480 -0.280 0.000 0.260 85 M C 1.665 177.847 176.300 -0.195 0.000 1.068 85 M CA 4.401 59.593 55.300 -0.180 0.000 1.109 85 M CB -0.100 32.465 32.600 -0.060 0.000 1.342 85 M HN -0.521 7.790 8.290 0.034 0.000 0.405 86 L N -2.476 118.707 121.223 -0.068 0.000 2.141 86 L HA -0.372 3.888 4.340 -0.133 0.000 0.209 86 L C 2.205 179.034 176.870 -0.068 0.000 1.094 86 L CA 2.859 57.681 54.840 -0.031 0.000 0.763 86 L CB -0.461 41.687 42.059 0.149 0.000 0.908 86 L HN -0.083 8.144 8.230 -0.005 0.000 0.437 87 D N -0.800 119.591 120.400 -0.015 0.000 2.117 87 D HA -0.268 4.282 4.640 -0.151 0.000 0.198 87 D C 2.046 178.223 176.300 -0.205 0.000 0.982 87 D CA 3.379 57.316 54.000 -0.105 0.000 0.828 87 D CB 0.114 40.910 40.800 -0.006 0.000 0.967 87 D HN -0.353 7.947 8.370 0.052 0.101 0.464 88 R N -1.278 119.041 120.500 -0.301 0.000 2.091 88 R HA -0.374 3.820 4.340 -0.243 0.000 0.238 88 R C 2.137 178.242 176.300 -0.324 0.000 1.136 88 R CA 2.844 58.758 56.100 -0.310 0.000 0.959 88 R CB -0.250 29.814 30.300 -0.393 0.000 0.856 88 R HN -0.250 7.799 8.270 -0.369 0.000 0.437 89 N N -1.437 116.996 118.700 -0.445 0.000 2.120 89 N HA -0.251 4.124 4.740 -0.608 0.000 0.188 89 N C 1.872 177.039 175.510 -0.573 0.000 1.024 89 N CA 2.699 55.319 53.050 -0.717 0.000 0.852 89 N CB -0.582 37.072 38.487 -1.389 0.000 1.003 89 N HN -0.396 7.723 8.380 -0.435 0.000 0.424 90 R N 0.308 120.591 120.500 -0.361 0.000 2.105 90 R HA -0.308 4.173 4.340 0.021 -0.128 0.239 90 R C 1.610 177.841 176.300 -0.115 0.000 1.135 90 R CA 2.838 58.867 56.100 -0.118 0.000 0.967 90 R CB -0.170 30.072 30.300 -0.096 0.000 0.861 90 R HN -0.426 7.639 8.270 -0.341 0.000 0.442 91 R N -4.048 116.358 120.500 -0.156 0.000 2.189 91 R HA -0.160 4.122 4.340 -0.096 0.000 0.223 91 R C 1.551 177.773 176.300 -0.130 0.000 1.092 91 R CA 2.078 58.104 56.100 -0.123 0.000 0.989 91 R CB -0.046 30.184 30.300 -0.117 0.000 0.876 91 R HN -0.615 7.533 8.270 -0.186 0.010 0.457 92 I N -4.182 116.274 120.570 -0.190 0.000 2.429 92 I HA -0.233 3.817 4.170 -0.201 0.000 0.247 92 I C -0.248 175.775 176.117 -0.158 0.000 1.099 92 I CA 1.739 62.898 61.300 -0.234 0.000 1.422 92 I CB 1.012 38.760 38.000 -0.420 0.000 1.112 92 I HN -0.563 7.366 8.210 -0.230 0.144 0.430 93 K N -3.123 117.226 120.400 -0.084 0.000 2.615 93 K HA 0.261 4.586 4.320 0.007 0.000 0.291 93 K C -1.636 175.048 176.600 0.140 0.000 1.017 93 K CA -1.053 55.249 56.287 0.026 0.000 0.882 93 K CB 1.933 34.457 32.500 0.039 0.000 1.522 93 K HN -0.528 7.666 8.250 -0.094 0.000 0.412 94 K N -0.337 120.119 120.400 0.094 0.000 2.026 94 K HA -0.257 4.101 4.320 0.063 0.000 0.208 94 K C -1.155 175.457 176.600 0.019 0.000 1.048 94 K CA 3.144 59.469 56.287 0.063 0.000 0.929 94 K CB 0.207 32.716 32.500 0.016 0.000 0.713 94 K HN 0.428 8.716 8.250 0.064 0.000 0.439 95 C N -7.913 111.340 119.300 -0.078 0.000 3.285 95 C HA 0.430 4.303 4.460 -0.977 0.000 0.325 95 C C -2.964 171.786 174.990 -0.401 0.000 1.304 95 C CA -3.624 55.108 59.018 -0.477 0.000 1.319 95 C CB 1.750 29.335 27.740 -0.258 0.000 1.640 95 C HN -0.689 7.549 8.230 0.014 0.000 0.477 96 P HA -0.061 4.420 4.420 0.102 0.000 0.265 96 P C -1.638 175.814 177.300 0.254 0.000 1.193 96 P CA 0.219 63.271 63.100 -0.080 0.000 0.765 96 P CB 0.397 31.962 31.700 -0.225 0.000 0.823 97 E N 1.611 122.041 120.200 0.384 0.000 2.256 97 E HA 0.286 4.831 4.350 0.325 0.000 0.267 97 E C -1.757 174.999 176.600 0.259 0.000 0.892 97 E CA -1.500 55.114 56.400 0.358 0.000 0.775 97 E CB 4.029 33.915 29.700 0.309 0.000 1.207 97 E HN 0.252 8.821 8.360 0.349 0.000 0.420 98 R N 1.932 122.342 120.500 -0.151 0.000 2.312 98 R HA 0.381 4.491 4.340 -0.675 -0.175 0.311 98 R C 1.488 177.682 176.300 -0.177 0.000 1.004 98 R CA -0.633 55.147 56.100 -0.533 0.000 0.902 98 R CB 1.161 30.936 30.300 -0.875 0.000 1.073 98 R HN 0.449 8.660 8.270 -0.098 0.000 0.457 99 F N 8.388 128.169 119.950 -0.281 0.000 2.171 99 F HA -0.323 3.754 4.527 -0.750 0.000 0.300 99 F C 1.065 176.546 175.800 -0.532 0.000 1.090 99 F CA 3.661 61.385 58.000 -0.460 0.000 1.293 99 F CB 0.527 39.335 39.000 -0.321 0.000 1.013 99 F HN 0.502 8.823 8.300 0.034 0.000 0.486 100 Q N -4.344 115.088 119.800 -0.614 0.000 2.437 100 Q HA -0.222 2.929 4.340 -1.983 0.000 0.210 100 Q C -0.130 175.538 176.000 -0.555 0.000 0.972 100 Q CA 2.340 57.544 55.803 -0.999 0.000 0.903 100 Q CB -0.451 27.957 28.738 -0.549 0.000 0.967 100 Q HN 0.373 8.401 8.270 -0.379 0.015 0.486 101 D N -3.547 116.616 120.400 -0.395 0.000 2.398 101 D HA 0.228 4.774 4.640 -0.156 0.000 0.210 101 D C -0.674 175.510 176.300 -0.194 0.000 1.094 101 D CA 0.466 54.338 54.000 -0.213 0.000 0.839 101 D CB 1.456 42.170 40.800 -0.143 0.000 0.963 101 D HN -0.553 7.514 8.370 -0.409 0.058 0.506 102 T N 1.691 116.048 114.554 -0.327 0.000 2.909 102 T HA -0.042 4.241 4.350 -0.112 0.000 0.289 102 T C -0.033 174.544 174.700 -0.205 0.000 1.005 102 T CA 0.237 62.191 62.100 -0.243 0.000 1.084 102 T CB 0.462 69.090 68.868 -0.399 0.000 0.975 102 T HN -0.593 7.344 8.240 -0.505 0.000 0.509 103 K N 2.738 123.065 120.400 -0.121 0.000 2.358 103 K HA 0.238 4.487 4.320 -0.118 0.000 0.200 103 K C -0.011 176.483 176.600 -0.178 0.000 1.030 103 K CA -0.780 55.434 56.287 -0.121 0.000 1.097 103 K CB -0.125 32.325 32.500 -0.085 0.000 0.862 103 K HN 0.239 8.441 8.250 -0.080 0.000 0.534 104 E N 1.369 121.459 120.200 -0.185 0.000 2.404 104 E HA -0.038 4.104 4.350 -0.346 0.000 0.261 104 E C -1.022 175.193 176.600 -0.642 0.000 1.074 104 E CA 0.586 56.766 56.400 -0.366 0.000 0.917 104 E CB 0.574 30.117 29.700 -0.261 0.000 0.965 104 E HN -0.679 7.612 8.360 -0.116 0.000 0.433 105 Q N -0.772 118.484 119.800 -0.907 0.000 2.351 105 Q HA 0.179 3.987 4.340 -0.886 0.000 0.273 105 Q C -1.054 174.335 176.000 -1.019 0.000 1.077 105 Q CA -1.027 54.147 55.803 -1.049 0.000 0.843 105 Q CB 2.510 30.515 28.738 -1.222 0.000 1.367 105 Q HN 0.216 8.013 8.270 -0.788 0.000 0.449 106 F N -0.580 119.410 119.950 0.068 0.000 2.613 106 F HA 0.198 4.782 4.527 0.094 0.000 0.314 106 F C -1.144 174.779 175.800 0.205 0.000 1.075 106 F CA -0.686 57.410 58.000 0.160 0.000 0.945 106 F CB 3.172 42.296 39.000 0.208 0.000 1.310 106 F HN -0.149 8.301 8.300 0.249 0.000 0.467 107 D N -1.532 119.064 120.400 0.326 0.000 2.240 107 D HA 0.079 4.842 4.640 0.204 0.000 0.206 107 D C -0.337 176.099 176.300 0.225 0.000 0.963 107 D CA 2.376 56.514 54.000 0.230 0.000 0.863 107 D CB 2.084 42.992 40.800 0.180 0.000 0.973 107 D HN 0.050 8.613 8.370 0.320 0.000 0.501 108 I N -2.690 118.009 120.570 0.215 0.000 2.569 108 I HA 0.544 4.997 4.170 0.154 -0.191 0.290 108 I C -2.206 173.942 176.117 0.051 0.000 1.088 108 I CA -0.763 60.614 61.300 0.128 0.000 1.047 108 I CB 4.137 42.165 38.000 0.047 0.000 1.237 108 I HN -0.781 7.577 8.210 0.246 0.000 0.421 109 I N 6.200 126.775 120.570 0.008 0.000 2.410 109 I HA 0.439 4.664 4.170 -0.194 -0.171 0.286 109 I C -1.177 174.879 176.117 -0.101 0.000 1.009 109 I CA -1.200 60.032 61.300 -0.114 0.000 1.111 109 I CB 2.064 39.978 38.000 -0.143 0.000 1.262 109 I HN 0.514 8.751 8.210 0.044 0.000 0.443 110 V N 8.979 128.813 119.914 -0.133 0.000 2.407 110 V HA 0.773 5.089 4.120 -0.070 -0.238 0.278 110 V C -0.258 175.779 176.094 -0.095 0.000 1.037 110 V CA -1.408 60.831 62.300 -0.101 0.000 0.900 110 V CB 1.150 32.898 31.823 -0.124 0.000 0.983 110 V HN 0.602 8.694 8.190 -0.163 0.000 0.459 111 T N 1.002 115.532 114.554 -0.040 0.000 2.940 111 T HA 0.906 5.425 4.350 -0.054 -0.201 0.288 111 T C 0.781 175.472 174.700 -0.015 0.000 1.033 111 T CA -2.887 59.199 62.100 -0.023 0.000 1.033 111 T CB 2.852 71.746 68.868 0.045 0.000 1.079 111 T HN 0.592 8.829 8.240 -0.005 0.000 0.496 112 V N -5.948 113.963 119.914 -0.006 0.000 3.427 112 V HA 0.691 5.031 4.120 -0.018 -0.231 0.305 112 V C -1.355 174.741 176.094 0.004 0.000 1.412 112 V CA -1.587 60.709 62.300 -0.006 0.000 1.086 112 V CB 1.165 32.988 31.823 0.001 0.000 0.964 112 V HN -0.067 8.124 8.190 0.001 0.000 0.439 113 E N -3.081 117.128 120.200 0.015 0.000 2.392 113 E HA 0.350 4.907 4.350 -0.001 -0.207 0.281 113 E C -1.134 175.493 176.600 0.045 0.000 1.088 113 E CA -1.187 55.224 56.400 0.018 0.000 0.850 113 E CB 2.429 32.146 29.700 0.028 0.000 1.267 113 E HN -0.791 7.623 8.360 0.027 -0.038 0.438 114 E N 2.247 122.467 120.200 0.033 0.000 2.153 114 E HA -0.369 4.034 4.350 0.090 0.000 0.194 114 E C 1.442 178.124 176.600 0.135 0.000 0.988 114 E CA 3.720 60.166 56.400 0.077 0.000 0.811 114 E CB 0.052 29.771 29.700 0.032 0.000 0.746 114 E HN 0.652 9.020 8.360 0.014 0.000 0.466 115 R N -2.308 118.244 120.500 0.087 0.000 2.096 115 R HA -0.272 4.115 4.340 0.079 0.000 0.235 115 R C 2.370 178.716 176.300 0.075 0.000 1.127 115 R CA 3.163 59.310 56.100 0.077 0.000 0.968 115 R CB -0.156 30.181 30.300 0.061 0.000 0.861 115 R HN 0.149 8.446 8.270 0.068 0.013 0.440 116 V N 0.460 120.418 119.914 0.074 0.000 2.379 116 V HA -0.442 3.697 4.120 0.031 0.000 0.245 116 V C 1.626 177.743 176.094 0.039 0.000 1.044 116 V CA 3.645 65.972 62.300 0.044 0.000 1.036 116 V CB 0.108 31.950 31.823 0.031 0.000 0.664 116 V HN -0.560 7.675 8.190 0.074 0.000 0.453 117 Y N 0.755 121.024 120.300 -0.052 0.000 2.069 117 Y HA -0.644 3.853 4.550 -0.089 0.000 0.278 117 Y C 1.481 177.356 175.900 -0.041 0.000 1.175 117 Y CA 4.047 62.112 58.100 -0.059 0.000 1.134 117 Y CB -0.221 38.217 38.460 -0.037 0.000 0.965 117 Y HN -0.111 8.296 8.280 0.213 0.000 0.498 118 D N -1.362 119.054 120.400 0.026 0.000 2.117 118 D HA -0.299 4.253 4.640 -0.147 0.000 0.197 118 D C 2.631 178.892 176.300 -0.066 0.000 0.987 118 D CA 3.526 57.494 54.000 -0.053 0.000 0.829 118 D CB -0.494 40.335 40.800 0.048 0.000 0.961 118 D HN -0.211 8.251 8.370 0.154 0.000 0.460 119 L N -0.643 120.568 121.223 -0.020 0.000 2.056 119 L HA -0.323 4.034 4.340 0.028 0.000 0.207 119 L C 2.166 179.051 176.870 0.024 0.000 1.078 119 L CA 3.116 57.963 54.840 0.012 0.000 0.749 119 L CB -0.020 42.055 42.059 0.026 0.000 0.901 119 L HN -0.700 7.530 8.230 -0.001 0.000 0.433 120 V N -0.430 119.440 119.914 -0.073 0.000 2.295 120 V HA -0.563 3.577 4.120 0.034 0.000 0.246 120 V C 1.882 177.956 176.094 -0.033 0.000 1.049 120 V CA 4.878 67.112 62.300 -0.109 0.000 1.024 120 V CB -0.147 31.433 31.823 -0.406 0.000 0.648 120 V HN -0.217 7.903 8.190 -0.117 0.000 0.447 121 V N -0.530 119.262 119.914 -0.203 0.000 2.358 121 V HA -0.575 3.428 4.120 -0.196 0.000 0.246 121 V C 1.680 177.720 176.094 -0.089 0.000 1.047 121 V CA 4.478 66.648 62.300 -0.217 0.000 1.035 121 V CB -0.106 31.472 31.823 -0.408 0.000 0.658 121 V HN -0.318 7.694 8.190 -0.296 0.000 0.452 122 M N 0.267 119.837 119.600 -0.050 0.000 2.108 122 M HA -0.439 4.023 4.480 -0.031 0.000 0.261 122 M C 1.616 177.933 176.300 0.028 0.000 1.066 122 M CA 3.642 58.936 55.300 -0.009 0.000 1.107 122 M CB 0.008 32.615 32.600 0.011 0.000 1.356 122 M HN -0.028 8.223 8.290 -0.064 0.000 0.406 123 H N 0.142 119.217 119.070 0.008 0.000 2.353 123 H HA -0.310 4.248 4.556 0.005 0.000 0.300 123 H C 2.036 177.371 175.328 0.011 0.000 1.090 123 H CA 3.894 59.959 56.048 0.028 0.000 1.327 123 H CB 0.289 30.111 29.762 0.100 0.000 1.383 123 H HN -0.350 8.054 8.280 0.207 0.000 0.508 124 M N -3.246 116.379 119.600 0.041 0.000 2.159 124 M HA -0.342 4.091 4.480 -0.079 0.000 0.263 124 M C 2.654 178.882 176.300 -0.120 0.000 1.063 124 M CA 2.072 57.338 55.300 -0.057 0.000 1.110 124 M CB -1.128 31.449 32.600 -0.037 0.000 1.374 124 M HN -0.336 8.038 8.290 0.140 0.000 0.411 125 E N -2.239 117.906 120.200 -0.092 0.000 2.152 125 E HA -0.255 4.055 4.350 -0.066 0.000 0.192 125 E C 1.348 177.896 176.600 -0.088 0.000 0.983 125 E CA 2.277 58.631 56.400 -0.076 0.000 0.818 125 E CB -0.011 29.655 29.700 -0.058 0.000 0.758 125 E HN -0.336 7.980 8.360 -0.073 0.000 0.467 126 S N -3.093 112.534 115.700 -0.122 0.000 2.507 126 S HA -0.158 4.260 4.470 -0.087 0.000 0.235 126 S C 0.275 174.789 174.600 -0.142 0.000 0.988 126 S CA 1.538 59.663 58.200 -0.125 0.000 0.944 126 S CB 0.379 63.493 63.200 -0.142 0.000 0.762 126 S HN -0.559 7.650 8.310 -0.137 0.019 0.526 127 M N 2.839 122.339 119.600 -0.166 0.000 2.157 127 M HA 0.058 4.461 4.480 -0.128 0.000 0.354 127 M C -0.657 175.600 176.300 -0.072 0.000 1.170 127 M CA -0.491 54.729 55.300 -0.134 0.000 1.060 127 M CB 0.643 33.146 32.600 -0.162 0.000 1.615 127 M HN -0.836 7.182 8.290 -0.177 0.166 0.460 128 E N 4.509 124.678 120.200 -0.051 0.000 2.351 128 E HA -0.119 4.211 4.350 -0.033 0.000 0.266 128 E C -0.191 176.403 176.600 -0.010 0.000 1.031 128 E CA 0.315 56.696 56.400 -0.031 0.000 0.911 128 E CB 0.278 29.960 29.700 -0.029 0.000 0.986 128 E HN 0.124 8.452 8.360 -0.054 0.000 0.446 129 S N 3.729 119.428 115.700 -0.001 0.000 2.548 129 S HA -0.079 4.513 4.470 0.059 -0.086 0.277 129 S C 0.350 174.961 174.600 0.018 0.000 1.315 129 S CA -0.200 58.020 58.200 0.033 0.000 1.050 129 S CB 0.497 63.730 63.200 0.056 0.000 0.918 129 S HN 0.131 8.435 8.310 -0.010 0.000 0.497 130 V N -1.249 118.690 119.914 0.041 0.000 3.329 130 V HA 0.438 4.559 4.120 0.003 0.000 0.317 130 V C -0.892 175.220 176.094 0.030 0.000 1.495 130 V CA -0.138 62.174 62.300 0.020 0.000 1.105 130 V CB 1.452 33.283 31.823 0.013 0.000 0.985 130 V HN -0.026 8.102 8.190 0.072 0.105 0.475 131 D N -0.479 119.958 120.400 0.061 0.000 2.399 131 D HA 0.064 4.729 4.640 0.041 0.000 0.269 131 D C -0.859 175.490 176.300 0.083 0.000 1.105 131 D CA 0.372 54.413 54.000 0.068 0.000 0.844 131 D CB 0.748 41.601 40.800 0.089 0.000 1.372 131 D HN -0.090 8.330 8.370 0.084 0.000 0.517 132 N N -2.066 116.694 118.700 0.100 0.000 2.714 132 N HA -0.285 4.503 4.740 0.081 0.000 0.250 132 N C -0.812 174.881 175.510 0.305 0.000 1.117 132 N CA 0.802 53.920 53.050 0.113 0.000 0.719 132 N CB -1.263 37.203 38.487 -0.036 0.000 1.081 132 N HN -0.215 8.224 8.380 0.097 0.000 0.557 133 R N 0.251 120.929 120.500 0.296 0.000 2.242 133 R HA 0.250 4.717 4.340 0.212 0.000 0.334 133 R C -2.406 174.032 176.300 0.230 0.000 1.071 133 R CA -1.673 54.582 56.100 0.259 0.000 0.922 133 R CB 0.524 30.957 30.300 0.222 0.000 1.023 133 R HN -0.197 8.194 8.270 0.268 0.039 0.458 134 P HA 0.228 4.282 4.420 -0.892 -0.170 0.271 134 P C -1.634 175.471 177.300 -0.325 0.000 1.216 134 P CA -0.414 62.448 63.100 -0.397 0.000 0.776 134 P CB 0.723 32.230 31.700 -0.321 0.000 0.881 135 V N 1.383 120.994 119.914 -0.505 0.000 2.709 135 V HA 0.288 4.444 4.120 -0.154 -0.128 0.308 135 V C -2.333 173.528 176.094 -0.388 0.000 1.062 135 V CA -2.366 59.764 62.300 -0.282 0.000 0.901 135 V CB 3.381 35.142 31.823 -0.104 0.000 1.003 135 V HN 0.347 8.115 8.190 -0.704 0.000 0.425 136 H N 7.873 126.948 119.070 0.009 0.000 2.556 136 H HA 0.457 5.214 4.556 0.090 -0.147 0.310 136 H C -0.377 174.997 175.328 0.076 0.000 1.057 136 H CA -1.239 54.858 56.048 0.082 0.000 1.264 136 H CB 1.091 30.921 29.762 0.114 0.000 1.404 136 H HN 0.108 8.406 8.280 0.030 0.000 0.462 137 V N 5.907 125.934 119.914 0.190 0.000 2.407 137 V HA 0.382 4.746 4.120 0.086 -0.192 0.278 137 V C -1.367 174.909 176.094 0.303 0.000 1.037 137 V CA -0.367 62.021 62.300 0.146 0.000 0.900 137 V CB 0.793 32.615 31.823 -0.001 0.000 0.983 137 V HN 0.453 8.737 8.190 0.156 0.000 0.459 138 L N 6.395 127.726 121.223 0.180 0.000 2.381 138 L HA 0.800 5.455 4.340 0.143 -0.229 0.274 138 L C -1.586 175.303 176.870 0.032 0.000 0.988 138 L CA -1.835 53.062 54.840 0.094 0.000 0.824 138 L CB 2.923 44.951 42.059 -0.053 0.000 1.263 138 L HN 0.739 9.030 8.230 0.103 0.000 0.410 139 N N 3.111 121.759 118.700 -0.086 0.000 2.419 139 N HA 0.415 5.302 4.740 -0.053 -0.179 0.277 139 N C -1.518 173.912 175.510 -0.133 0.000 1.006 139 N CA -0.705 52.258 53.050 -0.144 0.000 0.923 139 N CB 2.669 40.918 38.487 -0.396 0.000 1.140 139 N HN 0.354 8.636 8.380 -0.162 0.000 0.488 140 V N 6.314 126.177 119.914 -0.086 0.000 2.409 140 V HA 0.242 4.329 4.120 -0.055 0.000 0.290 140 V C -1.654 174.418 176.094 -0.037 0.000 1.017 140 V CA -1.239 61.026 62.300 -0.059 0.000 0.841 140 V CB 2.289 34.077 31.823 -0.058 0.000 1.003 140 V HN 0.449 8.597 8.190 -0.070 0.000 0.426 141 D N 8.639 129.020 120.400 -0.030 0.000 2.450 141 D HA -0.160 4.640 4.640 -0.018 -0.171 0.247 141 D C -0.761 175.536 176.300 -0.004 0.000 1.162 141 D CA 1.514 55.504 54.000 -0.017 0.000 0.879 141 D CB -0.078 40.712 40.800 -0.016 0.000 1.163 141 D HN 0.468 8.819 8.370 -0.033 0.000 0.472 142 V N 3.861 123.775 119.914 0.000 0.000 2.407 142 V HA 0.279 4.402 4.120 0.006 0.000 0.291 142 V C -0.800 175.302 176.094 0.013 0.000 1.018 142 V CA -1.367 60.936 62.300 0.006 0.000 0.842 142 V CB 2.692 34.518 31.823 0.005 0.000 0.996 142 V HN -0.008 8.182 8.190 0.001 0.000 0.426 143 V N 7.106 127.029 119.914 0.014 0.000 2.673 143 V HA -0.248 3.885 4.120 0.022 0.000 0.303 143 V C -0.172 175.938 176.094 0.025 0.000 1.046 143 V CA 0.633 62.945 62.300 0.020 0.000 1.126 143 V CB 0.719 32.552 31.823 0.017 0.000 0.934 143 V HN 0.230 8.427 8.190 0.012 0.000 0.487 144 N N 7.427 126.147 118.700 0.032 0.000 3.124 144 N HA 0.024 4.785 4.740 0.034 0.000 0.284 144 N C -1.791 173.742 175.510 0.038 0.000 1.209 144 N CA -0.268 52.804 53.050 0.037 0.000 1.149 144 N CB -1.116 37.397 38.487 0.044 0.000 1.434 144 N HN 0.326 8.727 8.380 0.035 0.000 0.529 145 N N 1.941 120.661 118.700 0.033 0.000 2.853 145 N HA 0.110 4.871 4.740 0.035 0.000 0.258 145 N C -0.853 174.677 175.510 0.033 0.000 1.444 145 N CA -1.123 51.947 53.050 0.033 0.000 0.837 145 N CB 2.077 40.582 38.487 0.030 0.000 1.489 145 N HN -0.674 7.678 8.380 0.031 0.047 0.529 146 A N -0.554 122.287 122.820 0.035 0.000 1.902 146 A HA -0.184 4.163 4.320 0.045 0.000 0.217 146 A C 1.728 179.340 177.584 0.047 0.000 1.181 146 A CA 2.914 54.978 52.037 0.045 0.000 0.623 146 A CB -0.078 18.954 19.000 0.053 0.000 0.818 146 A HN 0.632 8.802 8.150 0.033 0.000 0.443 147 E N -1.702 118.520 120.200 0.037 0.000 2.047 147 E HA -0.314 4.062 4.350 0.043 0.000 0.191 147 E C 2.425 179.044 176.600 0.031 0.000 0.987 147 E CA 3.416 59.836 56.400 0.034 0.000 0.799 147 E CB -0.199 29.512 29.700 0.019 0.000 0.752 147 E HN -0.449 8.047 8.360 0.031 -0.118 0.449 148 D N -0.661 119.754 120.400 0.024 0.000 2.269 148 D HA -0.145 4.504 4.640 0.014 0.000 0.208 148 D C 2.048 178.363 176.300 0.025 0.000 0.963 148 D CA 2.843 56.855 54.000 0.019 0.000 0.864 148 D CB -0.143 40.666 40.800 0.015 0.000 0.936 148 D HN -0.361 8.333 8.370 0.024 -0.310 0.505 149 A N 0.560 123.399 122.820 0.032 0.000 1.902 149 A HA -0.278 4.056 4.320 0.023 0.000 0.217 149 A C 1.587 179.193 177.584 0.037 0.000 1.181 149 A CA 3.285 55.340 52.037 0.030 0.000 0.623 149 A CB -0.366 18.653 19.000 0.032 0.000 0.818 149 A HN -0.168 7.983 8.150 0.034 0.019 0.443 150 L N -1.558 119.703 121.223 0.063 0.000 2.056 150 L HA -0.252 4.139 4.340 0.086 0.000 0.207 150 L C 1.821 178.778 176.870 0.146 0.000 1.078 150 L CA 3.015 57.919 54.840 0.108 0.000 0.749 150 L CB -0.106 42.047 42.059 0.157 0.000 0.901 150 L HN -0.760 7.508 8.230 0.065 0.000 0.433 151 M N -2.836 116.820 119.600 0.093 0.000 2.117 151 M HA -0.338 4.182 4.480 0.068 0.000 0.262 151 M C 2.556 178.889 176.300 0.055 0.000 1.065 151 M CA 2.700 58.037 55.300 0.061 0.000 1.114 151 M CB -1.302 31.296 32.600 -0.003 0.000 1.361 151 M HN -0.500 7.829 8.290 0.064 0.000 0.408 152 G N -2.261 106.553 108.800 0.023 0.000 2.422 152 G HA2 -0.343 3.622 3.960 0.008 0.000 0.218 152 G HA3 -0.343 3.615 3.960 -0.003 0.000 0.218 152 G C 0.333 175.205 174.900 -0.047 0.000 1.146 152 G CA 1.986 47.085 45.100 -0.001 0.000 0.769 152 G HN 0.187 8.491 8.290 0.023 0.000 0.547 153 A N 2.190 124.953 122.820 -0.096 0.000 1.898 153 A HA -0.288 3.929 4.320 -0.172 0.000 0.216 153 A C 1.620 178.883 177.584 -0.535 0.000 1.181 153 A CA 2.727 54.610 52.037 -0.257 0.000 0.620 153 A CB -0.536 18.307 19.000 -0.262 0.000 0.819 153 A HN -0.418 7.586 8.150 -0.056 0.113 0.442 154 F N -1.690 117.884 119.950 -0.627 0.000 2.095 154 F HA -0.391 3.562 4.527 -0.957 0.000 0.298 154 F C 2.014 177.673 175.800 -0.235 0.000 1.104 154 F CA 4.940 62.582 58.000 -0.596 0.000 1.232 154 F CB -0.059 38.726 39.000 -0.358 0.000 0.987 154 F HN -0.677 7.532 8.300 -0.151 0.000 0.475 155 V N -0.146 119.808 119.914 0.066 0.000 2.307 155 V HA -0.494 3.742 4.120 0.192 0.000 0.245 155 V C 2.127 178.273 176.094 0.088 0.000 1.045 155 V CA 3.943 66.322 62.300 0.131 0.000 1.024 155 V CB 0.010 31.908 31.823 0.124 0.000 0.651 155 V HN -0.598 7.624 8.190 0.053 0.000 0.449 156 I N -0.317 120.234 120.570 -0.031 0.000 2.286 156 I HA -0.526 3.561 4.170 -0.139 0.000 0.248 156 I C 1.787 177.822 176.117 -0.137 0.000 1.115 156 I CA 4.425 65.659 61.300 -0.110 0.000 1.392 156 I CB -0.306 37.624 38.000 -0.117 0.000 1.065 156 I HN 0.139 8.321 8.210 -0.047 0.000 0.418 157 T N 2.546 117.039 114.554 -0.102 0.000 2.777 157 T HA -0.429 3.838 4.350 -0.138 0.000 0.266 157 T C 1.909 176.620 174.700 0.017 0.000 1.040 157 T CA 5.521 67.591 62.100 -0.050 0.000 1.141 157 T CB -0.313 68.621 68.868 0.110 0.000 0.868 157 T HN -0.373 7.784 8.240 -0.124 0.008 0.444 158 D N 1.977 122.436 120.400 0.098 0.000 2.123 158 D HA -0.274 4.482 4.640 0.193 0.000 0.196 158 D C 1.928 178.310 176.300 0.137 0.000 0.992 158 D CA 3.347 57.463 54.000 0.194 0.000 0.833 158 D CB -0.465 40.517 40.800 0.304 0.000 0.954 158 D HN -0.410 8.019 8.370 0.099 0.000 0.455 159 M N 0.313 119.868 119.600 -0.075 0.000 2.099 159 M HA -0.386 3.721 4.480 -0.622 0.000 0.262 159 M C 1.563 177.686 176.300 -0.296 0.000 1.067 159 M CA 3.808 58.816 55.300 -0.486 0.000 1.124 159 M CB 0.273 32.370 32.600 -0.837 0.000 1.353 159 M HN -0.621 7.539 8.290 -0.070 0.088 0.410 160 I N -1.914 118.489 120.570 -0.279 0.000 2.252 160 I HA -0.447 3.550 4.170 -0.288 0.000 0.245 160 I C 1.925 177.929 176.117 -0.189 0.000 1.102 160 I CA 2.343 63.443 61.300 -0.332 0.000 1.385 160 I CB -1.529 36.105 38.000 -0.611 0.000 1.064 160 I HN -0.216 7.828 8.210 -0.276 0.000 0.414 161 N N 0.012 118.681 118.700 -0.051 0.000 2.104 161 N HA -0.365 4.621 4.740 0.409 0.000 0.190 161 N C 2.221 177.808 175.510 0.128 0.000 1.024 161 N CA 3.186 56.356 53.050 0.200 0.000 0.853 161 N CB 0.026 38.655 38.487 0.236 0.000 1.008 161 N HN -0.141 8.196 8.380 -0.072 0.000 0.424 162 M N -0.387 119.254 119.600 0.068 0.000 2.086 162 M HA -0.387 4.143 4.480 0.083 0.000 0.261 162 M C 2.390 178.703 176.300 0.022 0.000 1.067 162 M CA 3.748 59.084 55.300 0.060 0.000 1.116 162 M CB 0.130 32.776 32.600 0.077 0.000 1.348 162 M HN -0.617 7.701 8.290 0.047 0.000 0.407 163 M N -1.867 117.714 119.600 -0.032 0.000 2.319 163 M HA -0.256 4.193 4.480 -0.051 0.000 0.265 163 M C 2.256 178.565 176.300 0.015 0.000 1.068 163 M CA 3.125 58.398 55.300 -0.046 0.000 1.118 163 M CB -0.111 32.420 32.600 -0.115 0.000 1.395 163 M HN -0.542 7.707 8.290 -0.067 0.000 0.435 164 A N -2.131 120.732 122.820 0.071 0.000 2.067 164 A HA -0.182 4.214 4.320 0.127 0.000 0.219 164 A C 0.455 178.099 177.584 0.100 0.000 1.158 164 A CA 2.054 54.174 52.037 0.138 0.000 0.661 164 A CB -0.649 18.535 19.000 0.307 0.000 0.801 164 A HN -0.308 7.867 8.150 0.076 0.021 0.452 165 K N -3.752 116.696 120.400 0.080 0.000 2.459 165 K HA -0.079 4.278 4.320 0.061 0.000 0.193 165 K C -0.038 176.588 176.600 0.044 0.000 1.030 165 K CA 0.147 56.470 56.287 0.061 0.000 1.026 165 K CB 0.002 32.538 32.500 0.060 0.000 0.809 165 K HN -0.690 7.575 8.250 0.078 0.032 0.504 166 S N -0.945 114.777 115.700 0.037 0.000 2.528 166 S HA -0.032 4.453 4.470 0.025 0.000 0.277 166 S C 1.253 175.873 174.600 0.034 0.000 1.297 166 S CA 0.361 58.577 58.200 0.026 0.000 1.052 166 S CB 0.729 63.935 63.200 0.009 0.000 0.917 166 S HN -0.721 7.452 8.310 0.037 0.159 0.492 167 T N 1.373 115.946 114.554 0.031 0.000 3.129 167 T HA 0.070 4.442 4.350 0.037 0.000 0.251 167 T C 0.289 175.012 174.700 0.037 0.000 1.117 167 T CA 0.132 62.252 62.100 0.034 0.000 1.034 167 T CB 0.444 69.329 68.868 0.030 0.000 0.968 167 T HN 0.434 8.691 8.240 0.028 0.000 0.526 168 D N 1.832 122.254 120.400 0.037 0.000 2.668 168 D HA 0.158 4.829 4.640 0.053 0.000 0.247 168 D C -0.961 175.364 176.300 0.042 0.000 1.268 168 D CA -0.312 53.715 54.000 0.045 0.000 0.842 168 D CB 0.583 41.409 40.800 0.043 0.000 1.399 168 D HN -0.721 7.627 8.370 0.031 0.041 0.530 169 L N 4.155 125.406 121.223 0.046 0.000 2.043 169 L HA -0.256 4.073 4.340 -0.018 0.000 0.212 169 L C 0.724 177.602 176.870 0.013 0.000 1.075 169 L CA 2.403 57.251 54.840 0.013 0.000 0.752 169 L CB 0.170 42.247 42.059 0.030 0.000 0.891 169 L HN 0.386 8.650 8.230 0.057 0.000 0.432 170 D N -3.193 117.277 120.400 0.116 0.000 2.149 170 D HA -0.272 4.534 4.640 0.276 0.000 0.198 170 D C 1.437 177.800 176.300 0.105 0.000 0.990 170 D CA 2.946 57.055 54.000 0.181 0.000 0.839 170 D CB -0.566 40.352 40.800 0.195 0.000 0.948 170 D HN 0.088 8.536 8.370 0.130 0.000 0.460 171 N N -4.763 113.977 118.700 0.068 0.000 2.373 171 N HA 0.033 4.811 4.740 0.063 0.000 0.181 171 N C -0.003 175.523 175.510 0.026 0.000 1.082 171 N CA 0.550 53.632 53.050 0.052 0.000 0.885 171 N CB 0.587 39.104 38.487 0.050 0.000 0.977 171 N HN -0.642 7.763 8.380 0.064 0.013 0.462 172 D N -0.725 119.676 120.400 0.003 0.000 2.388 172 D HA 0.188 4.826 4.640 -0.003 0.000 0.208 172 D C 0.791 177.059 176.300 -0.053 0.000 1.035 172 D CA 1.227 55.218 54.000 -0.015 0.000 0.875 172 D CB 1.537 42.329 40.800 -0.014 0.000 0.984 172 D HN -0.683 7.574 8.370 0.001 0.114 0.508 173 I N 0.292 120.798 120.570 -0.107 0.000 2.315 173 I HA -0.468 3.580 4.170 -0.203 0.000 0.248 173 I C -0.071 175.939 176.117 -0.179 0.000 1.117 173 I CA 3.635 64.805 61.300 -0.217 0.000 1.404 173 I CB 0.087 37.814 38.000 -0.456 0.000 1.071 173 I HN -0.207 7.945 8.210 -0.097 0.000 0.419 174 D N -0.944 119.408 120.400 -0.080 0.000 2.104 174 D HA -0.347 4.279 4.640 -0.024 0.000 0.194 174 D C 2.493 178.780 176.300 -0.020 0.000 0.994 174 D CA 3.973 57.962 54.000 -0.018 0.000 0.830 174 D CB -0.987 39.844 40.800 0.051 0.000 0.959 174 D HN 0.415 8.760 8.370 -0.042 0.000 0.452 175 E N -0.288 119.904 120.200 -0.013 0.000 2.106 175 E HA -0.229 4.126 4.350 0.007 0.000 0.192 175 E C 2.678 179.276 176.600 -0.004 0.000 0.984 175 E CA 2.525 58.924 56.400 -0.001 0.000 0.806 175 E CB -0.079 29.624 29.700 0.006 0.000 0.750 175 E HN -0.640 7.712 8.360 -0.012 0.000 0.458 176 L N -0.793 120.414 121.223 -0.026 0.000 2.093 176 L HA -0.321 4.029 4.340 0.016 0.000 0.208 176 L C 2.290 179.159 176.870 -0.001 0.000 1.085 176 L CA 3.105 57.937 54.840 -0.014 0.000 0.755 176 L CB -0.258 41.771 42.059 -0.050 0.000 0.904 176 L HN -0.417 7.786 8.230 -0.045 0.000 0.435 177 I N -1.063 119.469 120.570 -0.063 0.000 2.179 177 I HA -0.594 3.533 4.170 -0.071 0.000 0.242 177 I C 1.944 178.085 176.117 0.041 0.000 1.088 177 I CA 4.347 65.613 61.300 -0.056 0.000 1.357 177 I CB -0.200 37.719 38.000 -0.134 0.000 1.051 177 I HN 0.048 8.198 8.210 -0.099 0.000 0.409 178 Q N 0.146 119.962 119.800 0.027 0.000 2.079 178 Q HA -0.268 4.324 4.340 0.040 -0.228 0.200 178 Q C 2.110 178.140 176.000 0.050 0.000 0.974 178 Q CA 2.686 58.512 55.803 0.038 0.000 0.840 178 Q CB -0.514 28.239 28.738 0.024 0.000 0.898 178 Q HN -0.507 7.769 8.270 0.009 0.000 0.430 179 E N 0.556 120.788 120.200 0.055 0.000 2.077 179 E HA -0.295 4.071 4.350 0.026 0.000 0.193 179 E C 1.955 178.595 176.600 0.067 0.000 0.989 179 E CA 2.700 59.129 56.400 0.050 0.000 0.800 179 E CB -0.558 29.172 29.700 0.050 0.000 0.746 179 E HN -0.531 7.858 8.360 0.048 0.000 0.452 180 F N -0.169 119.760 119.950 -0.034 0.000 2.134 180 F HA -0.386 4.124 4.527 -0.028 0.000 0.299 180 F C 1.798 177.578 175.800 -0.033 0.000 1.097 180 F CA 3.892 61.870 58.000 -0.035 0.000 1.264 180 F CB 0.394 39.365 39.000 -0.048 0.000 1.001 180 F HN -0.345 8.105 8.300 0.250 0.000 0.479 181 E N -0.500 119.798 120.200 0.164 0.000 2.077 181 E HA -0.389 4.185 4.350 0.101 -0.163 0.193 181 E C 2.782 179.371 176.600 -0.018 0.000 0.989 181 E CA 3.014 59.459 56.400 0.075 0.000 0.800 181 E CB -0.164 29.577 29.700 0.068 0.000 0.746 181 E HN -0.247 8.226 8.360 0.188 0.000 0.452 182 E N -1.353 118.834 120.200 -0.021 0.000 2.107 182 E HA -0.296 4.034 4.350 -0.032 0.000 0.191 182 E C 2.197 178.750 176.600 -0.078 0.000 0.982 182 E CA 2.737 59.114 56.400 -0.039 0.000 0.809 182 E CB -0.030 29.658 29.700 -0.021 0.000 0.756 182 E HN -0.366 7.994 8.360 -0.000 0.000 0.459 183 R N -1.273 119.152 120.500 -0.126 0.000 2.100 183 R HA -0.149 4.121 4.340 -0.117 0.000 0.220 183 R C 2.244 178.410 176.300 -0.223 0.000 1.091 183 R CA 2.455 58.457 56.100 -0.163 0.000 0.986 183 R CB 0.237 30.430 30.300 -0.180 0.000 0.888 183 R HN -0.542 7.648 8.270 -0.132 0.000 0.444 184 R N -4.099 116.202 120.500 -0.332 0.000 2.334 184 R HA 0.165 4.332 4.340 -0.289 0.000 0.212 184 R C -0.928 175.264 176.300 -0.180 0.000 0.897 184 R CA -1.287 54.605 56.100 -0.346 0.000 1.056 184 R CB 0.388 30.274 30.300 -0.690 0.000 1.046 184 R HN -0.349 7.702 8.270 -0.365 0.000 0.513 185 K N -4.813 115.512 120.400 -0.126 0.000 3.096 185 K HA -0.364 4.003 4.320 -0.053 -0.078 0.266 185 K C -0.765 175.812 176.600 -0.038 0.000 1.043 185 K CA 0.934 57.181 56.287 -0.066 0.000 0.758 185 K CB -3.517 28.947 32.500 -0.060 0.000 1.260 185 K HN -0.367 7.761 8.250 -0.133 0.043 0.481 186 R N -2.807 117.684 120.500 -0.014 0.000 2.686 186 R HA 0.238 4.582 4.340 0.007 0.000 0.283 186 R C -1.872 174.453 176.300 0.042 0.000 0.978 186 R CA -1.978 54.136 56.100 0.023 0.000 0.897 186 R CB 3.148 33.486 30.300 0.064 0.000 1.192 186 R HN -0.782 7.478 8.270 -0.017 0.000 0.457 187 V N 3.018 122.941 119.914 0.016 0.000 2.530 187 V HA -0.135 3.992 4.120 0.012 0.000 0.282 187 V C -1.113 174.973 176.094 -0.013 0.000 1.048 187 V CA -0.119 62.182 62.300 0.002 0.000 0.997 187 V CB 0.664 32.475 31.823 -0.020 0.000 0.987 187 V HN 0.258 8.451 8.190 0.005 0.000 0.477 188 I N 6.335 126.895 120.570 -0.018 0.000 2.378 188 I HA 0.380 4.706 4.170 -0.086 -0.208 0.291 188 I C -0.460 175.601 176.117 -0.093 0.000 0.992 188 I CA -1.850 59.412 61.300 -0.064 0.000 1.154 188 I CB 1.978 39.942 38.000 -0.061 0.000 1.315 188 I HN -0.330 8.175 8.210 -0.002 -0.295 0.448 189 L N 6.539 127.636 121.223 -0.209 0.000 2.326 189 L HA 0.229 4.469 4.340 -0.167 0.000 0.278 189 L C -1.578 175.244 176.870 -0.080 0.000 1.092 189 L CA -0.815 53.846 54.840 -0.299 0.000 0.810 189 L CB 0.924 42.462 42.059 -0.867 0.000 1.153 189 L HN -0.211 7.861 8.230 -0.265 0.000 0.439 190 H N 4.581 123.645 119.070 -0.011 0.000 2.759 190 H HA 0.787 5.650 4.556 0.135 -0.226 0.354 190 H C -1.209 174.229 175.328 0.184 0.000 1.074 190 H CA -2.002 54.108 56.048 0.103 0.000 1.226 190 H CB 2.926 32.709 29.762 0.035 0.000 1.648 190 H HN 0.242 8.605 8.280 0.139 0.000 0.529 191 S N 5.873 121.542 115.700 -0.052 0.000 2.541 191 S HA 0.308 4.588 4.470 -0.316 0.000 0.280 191 S C -2.050 172.361 174.600 -0.315 0.000 1.112 191 S CA -0.723 57.335 58.200 -0.237 0.000 0.925 191 S CB 2.891 66.034 63.200 -0.095 0.000 1.067 191 S HN 0.323 8.753 8.310 0.199 0.000 0.479 192 V N 4.467 124.180 119.914 -0.335 0.000 2.347 192 V HA 0.355 4.431 4.120 -0.339 -0.159 0.280 192 V C -0.702 175.140 176.094 -0.420 0.000 1.021 192 V CA -0.758 61.332 62.300 -0.350 0.000 0.847 192 V CB 0.574 32.222 31.823 -0.292 0.000 0.990 192 V HN 0.416 8.420 8.190 -0.310 0.000 0.444 193 L N 5.426 126.330 121.223 -0.532 0.000 2.260 193 L HA 0.472 4.656 4.340 -0.260 0.000 0.265 193 L C -1.522 174.867 176.870 -0.801 0.000 1.015 193 L CA -1.593 52.973 54.840 -0.456 0.000 0.826 193 L CB 3.277 45.161 42.059 -0.292 0.000 1.373 193 L HN 0.192 8.111 8.230 -0.518 0.000 0.450 194 F N -4.858 114.952 119.950 -0.234 0.000 2.569 194 F HA 0.629 5.251 4.527 -0.173 -0.199 0.312 194 F C -0.221 175.440 175.800 -0.232 0.000 1.109 194 F CA -1.144 56.743 58.000 -0.189 0.000 0.919 194 F CB 3.831 42.777 39.000 -0.091 0.000 1.211 194 F HN -0.062 8.208 8.300 -0.050 0.000 0.446 195 Y N 0.000 120.380 120.300 0.133 0.000 2.660 195 Y HA 0.000 4.577 4.550 0.046 0.000 0.201 195 Y CA 0.000 58.139 58.100 0.065 0.000 1.940 195 Y CB 0.000 38.475 38.460 0.025 0.000 1.050 195 Y HN 0.000 8.404 8.280 0.207 0.000 0.758