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 1r84_1_A DATA FIRST_RESID 1 DATA SEQUENCE QAQITGRPEW IWLALGTALM GLGTLYFLVK GMGVSDPDAK KFYAITTLVP DATA SEQUENCE AIAFTMYLSM LLGYGLTMVP FGGEQNPIYW ARYADWLFTT PLLLLDLALL DATA SEQUENCE VDADQGTILA LVGADGIMIG TGLVGALTKV YSYRFVWWAI STAAMLYILY DATA SEQUENCE VLFFGFTSKA ESMRPEVAST FKVLRNVTVV LWSAYPVVWL IGSEGAGIVP DATA SEQUENCE LNIETLLFMV LDVSAKVGFG LILLRSRAIF GE 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 Q HA 0.000 4.319 4.340 -0.035 0.000 0.214 1 Q C 0.000 175.968 176.000 -0.053 0.000 1.003 1 Q CA 0.000 55.776 55.803 -0.046 0.000 1.022 1 Q CB 0.000 28.708 28.738 -0.050 0.000 1.108 2 A N 2.037 124.811 122.820 -0.076 0.000 1.557 2 A HA -0.338 3.910 4.320 -0.120 0.000 0.226 2 A C -0.579 176.961 177.584 -0.074 0.000 1.168 2 A CA 0.592 52.567 52.037 -0.104 0.000 0.798 2 A CB -0.601 18.314 19.000 -0.142 0.000 1.143 2 A HN 0.028 8.567 8.150 -0.083 -0.440 0.237 3 Q N -1.822 117.950 119.800 -0.047 0.000 2.402 3 Q HA -0.532 3.814 4.340 0.009 0.000 0.370 3 Q C -0.710 175.290 176.000 0.001 0.000 1.334 3 Q CA 0.354 56.150 55.803 -0.011 0.000 1.151 3 Q CB -1.942 26.794 28.738 -0.004 0.000 1.324 3 Q HN 0.310 8.550 8.270 -0.049 0.000 0.332 4 I N -1.962 118.613 120.570 0.008 0.000 2.775 4 I HA -0.327 3.907 4.170 -0.012 -0.072 0.290 4 I C -0.425 175.715 176.117 0.038 0.000 1.203 4 I CA 1.550 62.856 61.300 0.010 0.000 1.433 4 I CB 0.188 38.196 38.000 0.014 0.000 1.354 4 I HN -0.201 8.012 8.210 0.005 0.000 0.579 5 T N 4.676 119.245 114.554 0.025 0.000 2.626 5 T HA 0.121 4.849 4.350 0.118 -0.307 0.279 5 T C 0.522 175.257 174.700 0.059 0.000 0.983 5 T CA -1.935 60.197 62.100 0.054 0.000 1.059 5 T CB 2.537 71.383 68.868 -0.037 0.000 1.396 5 T HN -0.101 8.138 8.240 -0.003 0.000 0.519 6 G N 0.204 109.060 108.800 0.093 0.000 2.189 6 G HA2 -0.307 3.726 3.960 0.121 0.000 0.267 6 G HA3 -0.307 3.674 3.960 0.034 0.000 0.267 6 G C -0.752 174.210 174.900 0.104 0.000 0.975 6 G CA 1.557 46.709 45.100 0.087 0.000 0.644 6 G HN 0.063 8.573 8.290 0.135 -0.139 0.537 7 R N -2.034 118.545 120.500 0.133 0.000 3.730 7 R HA 0.326 4.738 4.340 0.120 0.000 0.089 7 R C -1.245 175.185 176.300 0.215 0.000 0.744 7 R CA 0.784 56.957 56.100 0.122 0.000 1.870 7 R CB -0.811 29.511 30.300 0.036 0.000 1.596 7 R HN -0.565 7.688 8.270 0.147 0.105 0.447 8 P HA -0.181 4.324 4.420 0.141 0.000 0.212 8 P C 0.030 177.354 177.300 0.041 0.000 1.180 8 P CA 2.587 65.764 63.100 0.127 0.000 0.906 8 P CB -0.144 31.609 31.700 0.087 0.000 0.782 9 E N -3.867 116.361 120.200 0.046 0.000 2.515 9 E HA -0.250 3.896 4.350 -0.340 0.000 0.201 9 E C 0.902 177.446 176.600 -0.093 0.000 1.071 9 E CA 0.854 57.231 56.400 -0.039 0.000 0.880 9 E CB -2.283 27.547 29.700 0.217 0.000 0.828 9 E HN 0.363 8.803 8.360 0.134 0.000 0.540 10 W N -0.016 121.233 121.300 -0.085 0.000 2.321 10 W HA -0.362 4.294 4.660 -0.007 0.000 0.306 10 W C 0.506 176.977 176.519 -0.080 0.000 1.217 10 W CA 2.714 60.026 57.345 -0.056 0.000 1.257 10 W CB -1.215 28.213 29.460 -0.053 0.000 1.145 10 W HN -0.753 7.479 8.180 0.267 0.108 0.509 11 I N 0.014 119.466 120.570 -1.864 0.000 2.179 11 I HA -0.535 2.387 4.170 -2.080 0.000 0.242 11 I C 1.179 176.912 176.117 -0.640 0.000 1.088 11 I CA 3.845 64.088 61.300 -1.762 0.000 1.357 11 I CB -0.421 36.530 38.000 -1.749 0.000 1.051 11 I HN -0.802 6.146 8.210 -2.104 0.000 0.409 12 W N -2.276 118.814 121.300 -0.351 0.000 2.333 12 W HA -0.391 4.186 4.660 -0.138 0.000 0.316 12 W C 1.994 178.484 176.519 -0.047 0.000 1.215 12 W CA 1.828 59.084 57.345 -0.148 0.000 1.278 12 W CB -0.345 29.072 29.460 -0.072 0.000 1.154 12 W HN -0.502 7.162 8.180 -0.859 0.000 0.486 13 L N -1.839 119.496 121.223 0.187 0.000 1.989 13 L HA -0.564 4.002 4.340 0.377 0.000 0.211 13 L C 2.498 179.487 176.870 0.199 0.000 1.071 13 L CA 3.332 58.288 54.840 0.193 0.000 0.749 13 L CB -0.799 41.270 42.059 0.017 0.000 0.890 13 L HN 0.401 8.692 8.230 0.101 0.000 0.431 14 A N -0.823 122.048 122.820 0.085 0.000 1.903 14 A HA -0.363 4.044 4.320 0.144 0.000 0.219 14 A C 2.154 179.780 177.584 0.069 0.000 1.191 14 A CA 3.070 55.159 52.037 0.087 0.000 0.638 14 A CB -0.700 18.329 19.000 0.048 0.000 0.823 14 A HN 0.436 8.476 8.150 0.005 0.113 0.451 15 L N -1.652 119.588 121.223 0.028 0.000 2.056 15 L HA -0.283 4.073 4.340 0.025 0.000 0.207 15 L C 2.072 178.957 176.870 0.025 0.000 1.078 15 L CA 2.221 57.085 54.840 0.039 0.000 0.749 15 L CB -0.662 41.445 42.059 0.080 0.000 0.901 15 L HN 0.209 8.321 8.230 -0.021 0.106 0.433 16 G N -2.050 106.765 108.800 0.024 0.000 2.553 16 G HA2 -0.490 3.313 3.960 -0.261 0.000 0.218 16 G HA3 -0.490 3.267 3.960 -0.338 0.000 0.218 16 G C 0.914 175.729 174.900 -0.143 0.000 1.195 16 G CA 2.742 47.725 45.100 -0.196 0.000 0.779 16 G HN 0.530 8.890 8.290 0.118 0.000 0.577 17 T N 5.179 119.779 114.554 0.077 0.000 2.624 17 T HA -0.507 3.987 4.350 0.241 0.000 0.268 17 T C 1.984 176.811 174.700 0.212 0.000 1.041 17 T CA 5.321 67.540 62.100 0.198 0.000 1.159 17 T CB -0.511 68.478 68.868 0.202 0.000 0.863 17 T HN 0.140 8.489 8.240 0.182 0.000 0.434 18 A N 1.107 124.002 122.820 0.125 0.000 1.859 18 A HA -0.300 4.078 4.320 0.098 0.000 0.217 18 A C 1.909 179.502 177.584 0.014 0.000 1.198 18 A CA 3.134 55.216 52.037 0.075 0.000 0.629 18 A CB -0.935 18.096 19.000 0.051 0.000 0.830 18 A HN 0.040 8.148 8.150 0.107 0.106 0.446 19 L N -2.380 118.831 121.223 -0.020 0.000 2.012 19 L HA -0.529 3.768 4.340 -0.071 0.000 0.210 19 L C 2.540 179.363 176.870 -0.078 0.000 1.073 19 L CA 3.198 57.999 54.840 -0.064 0.000 0.748 19 L CB -0.274 41.738 42.059 -0.079 0.000 0.891 19 L HN 0.005 8.226 8.230 -0.015 0.000 0.431 20 M N -1.932 117.636 119.600 -0.054 0.000 2.080 20 M HA -0.449 4.002 4.480 -0.048 0.000 0.260 20 M C 2.514 178.798 176.300 -0.028 0.000 1.068 20 M CA 4.376 59.665 55.300 -0.019 0.000 1.109 20 M CB -0.419 32.197 32.600 0.027 0.000 1.342 20 M HN 0.420 8.675 8.290 -0.058 0.000 0.405 21 G N -0.461 108.319 108.800 -0.034 0.000 2.480 21 G HA2 -0.365 3.255 3.960 -0.566 0.000 0.216 21 G HA3 -0.365 3.370 3.960 -0.373 0.000 0.216 21 G C 0.870 175.633 174.900 -0.228 0.000 1.200 21 G CA 2.071 46.981 45.100 -0.316 0.000 0.782 21 G HN 0.160 8.505 8.290 0.091 0.000 0.554 22 L N 1.660 122.798 121.223 -0.142 0.000 2.012 22 L HA -0.471 3.811 4.340 -0.095 0.000 0.210 22 L C 2.522 179.310 176.870 -0.137 0.000 1.073 22 L CA 2.536 57.309 54.840 -0.112 0.000 0.748 22 L CB -0.534 41.474 42.059 -0.085 0.000 0.891 22 L HN 0.430 8.599 8.230 -0.102 0.000 0.431 23 G N -2.421 106.253 108.800 -0.209 0.000 2.469 23 G HA2 -0.392 3.282 3.960 -0.478 0.000 0.219 23 G HA3 -0.392 3.334 3.960 -0.390 0.000 0.219 23 G C 0.970 175.585 174.900 -0.475 0.000 1.150 23 G CA 2.552 47.411 45.100 -0.401 0.000 0.763 23 G HN 0.521 8.598 8.290 -0.173 0.109 0.561 24 T N 5.501 119.921 114.554 -0.223 0.000 2.643 24 T HA -0.348 4.006 4.350 0.007 0.000 0.264 24 T C 1.690 176.363 174.700 -0.044 0.000 1.045 24 T CA 5.402 67.452 62.100 -0.083 0.000 1.155 24 T CB -0.279 68.551 68.868 -0.063 0.000 0.863 24 T HN -0.226 7.822 8.240 -0.183 0.083 0.420 25 L N 1.139 122.313 121.223 -0.081 0.000 2.043 25 L HA -0.392 3.929 4.340 -0.032 0.000 0.212 25 L C 1.682 178.557 176.870 0.009 0.000 1.075 25 L CA 3.411 58.226 54.840 -0.040 0.000 0.752 25 L CB -1.326 40.696 42.059 -0.062 0.000 0.891 25 L HN 0.211 8.359 8.230 -0.136 0.000 0.432 26 Y N 0.537 120.770 120.300 -0.111 0.000 2.070 26 Y HA -0.465 4.077 4.550 -0.012 0.000 0.280 26 Y C 1.276 177.243 175.900 0.111 0.000 1.148 26 Y CA 3.769 61.828 58.100 -0.068 0.000 1.125 26 Y CB -0.063 38.274 38.460 -0.205 0.000 0.975 26 Y HN 0.222 8.410 8.280 0.037 0.115 0.492 27 F N -4.700 115.285 119.950 0.058 0.000 2.161 27 F HA -0.306 4.183 4.527 -0.063 0.000 0.300 27 F C 2.071 177.895 175.800 0.040 0.000 1.089 27 F CA 1.446 59.462 58.000 0.027 0.000 1.282 27 F CB -0.678 38.390 39.000 0.114 0.000 1.010 27 F HN -0.508 7.757 8.300 -0.058 0.000 0.485 28 L N -0.670 120.675 121.223 0.203 0.000 1.943 28 L HA -0.347 4.074 4.340 0.136 0.000 0.215 28 L C 2.347 179.243 176.870 0.044 0.000 1.074 28 L CA 3.332 58.238 54.840 0.109 0.000 0.759 28 L CB 0.003 42.099 42.059 0.062 0.000 0.888 28 L HN 0.309 8.647 8.230 0.181 0.000 0.433 29 V N -6.057 113.851 119.914 -0.011 0.000 3.299 29 V HA -0.188 3.916 4.120 -0.027 0.000 0.369 29 V C -0.732 175.298 176.094 -0.107 0.000 1.245 29 V CA 1.307 63.579 62.300 -0.046 0.000 1.459 29 V CB -2.337 29.462 31.823 -0.040 0.000 1.203 29 V HN 0.072 8.255 8.190 -0.012 0.000 0.451 30 K N 0.486 120.845 120.400 -0.069 0.000 2.770 30 K HA 0.181 4.459 4.320 -0.070 0.000 0.195 30 K C 0.884 177.543 176.600 0.097 0.000 1.515 30 K CA 0.780 57.044 56.287 -0.040 0.000 1.199 30 K CB 2.304 34.694 32.500 -0.183 0.000 1.681 30 K HN 0.016 8.103 8.250 0.002 0.164 0.586 31 G N 1.888 110.782 108.800 0.157 0.000 3.186 31 G HA2 0.017 3.592 3.960 -0.642 0.000 0.214 31 G HA3 0.017 3.934 3.960 -0.071 0.000 0.214 31 G C -0.068 174.718 174.900 -0.190 0.000 1.222 31 G CA 0.809 45.808 45.100 -0.170 0.000 0.921 31 G HN -0.078 8.337 8.290 0.209 0.000 0.504 32 M N -1.006 118.535 119.600 -0.098 0.000 2.108 32 M HA -0.122 4.322 4.480 -0.060 0.000 0.261 32 M C 1.101 177.343 176.300 -0.097 0.000 1.066 32 M CA 1.756 57.010 55.300 -0.076 0.000 1.107 32 M CB -0.999 31.573 32.600 -0.046 0.000 1.356 32 M HN -0.274 7.841 8.290 -0.056 0.142 0.406 33 G N -2.338 106.392 108.800 -0.116 0.000 2.670 33 G HA2 0.033 3.950 3.960 -0.072 0.000 0.219 33 G HA3 0.033 3.946 3.960 -0.079 0.000 0.219 33 G C -0.709 174.112 174.900 -0.132 0.000 1.342 33 G CA -0.570 44.471 45.100 -0.098 0.000 0.902 33 G HN -0.271 7.944 8.290 -0.124 0.000 0.553 34 V N -0.390 119.421 119.914 -0.172 0.000 5.791 34 V HA -0.426 3.601 4.120 -0.155 0.000 0.239 34 V C -0.131 175.884 176.094 -0.132 0.000 0.714 34 V CA 0.286 62.461 62.300 -0.209 0.000 0.851 34 V CB -0.941 30.608 31.823 -0.457 0.000 0.957 34 V HN -0.002 8.092 8.190 -0.161 0.000 0.419 35 S N 3.999 119.653 115.700 -0.075 0.000 2.348 35 S HA -0.183 4.252 4.470 -0.057 0.000 0.219 35 S C 0.520 175.095 174.600 -0.041 0.000 1.033 35 S CA 1.415 59.584 58.200 -0.051 0.000 0.974 35 S CB 0.250 63.431 63.200 -0.032 0.000 0.868 35 S HN 0.009 8.283 8.310 -0.060 0.000 0.459 36 D N 3.036 123.424 120.400 -0.019 0.000 2.570 36 D HA 0.034 4.665 4.640 -0.014 0.000 0.243 36 D C -0.194 176.099 176.300 -0.012 0.000 1.171 36 D CA -1.592 52.408 54.000 -0.001 0.000 0.879 36 D CB 0.666 41.496 40.800 0.051 0.000 1.143 36 D HN -0.120 8.243 8.370 -0.011 0.000 0.511 37 P HA -0.213 4.179 4.420 -0.046 0.000 0.219 37 P C 0.695 177.967 177.300 -0.046 0.000 1.146 37 P CA 1.920 64.994 63.100 -0.044 0.000 0.808 37 P CB 0.243 31.910 31.700 -0.054 0.000 0.779 38 D N -0.803 119.585 120.400 -0.020 0.000 2.075 38 D HA -0.205 4.377 4.640 -0.097 0.000 0.196 38 D C 2.176 178.492 176.300 0.025 0.000 0.985 38 D CA 2.681 56.675 54.000 -0.010 0.000 0.834 38 D CB -0.218 40.630 40.800 0.080 0.000 0.987 38 D HN -0.725 7.928 8.370 -0.007 -0.286 0.452 39 A N 0.815 123.752 122.820 0.195 0.000 1.927 39 A HA -0.421 4.279 4.320 0.633 0.000 0.220 39 A C 1.717 179.448 177.584 0.245 0.000 1.185 39 A CA 3.136 55.377 52.037 0.339 0.000 0.639 39 A CB -0.594 18.571 19.000 0.275 0.000 0.820 39 A HN 0.320 9.023 8.150 0.175 -0.447 0.451 40 K N -2.651 117.786 120.400 0.061 0.000 2.059 40 K HA -0.474 3.831 4.320 -0.024 0.000 0.212 40 K C 2.353 178.959 176.600 0.011 0.000 1.050 40 K CA 3.723 60.011 56.287 0.002 0.000 0.927 40 K CB -0.242 32.232 32.500 -0.043 0.000 0.714 40 K HN -0.008 8.253 8.250 0.034 0.010 0.447 41 K N -1.551 118.785 120.400 -0.105 0.000 2.009 41 K HA -0.352 3.903 4.320 -0.109 0.000 0.210 41 K C 2.489 178.996 176.600 -0.156 0.000 1.049 41 K CA 3.089 59.254 56.287 -0.203 0.000 0.929 41 K CB -0.208 32.040 32.500 -0.420 0.000 0.714 41 K HN -0.510 7.539 8.250 -0.137 0.118 0.440 42 F N -0.476 119.540 119.950 0.109 0.000 2.069 42 F HA -0.208 4.359 4.527 0.067 0.000 0.298 42 F C 3.223 179.068 175.800 0.076 0.000 1.113 42 F CA 2.862 60.909 58.000 0.078 0.000 1.214 42 F CB -0.792 38.231 39.000 0.039 0.000 0.978 42 F HN -0.826 7.197 8.300 -0.461 0.000 0.474 43 Y N -0.698 119.675 120.300 0.121 0.000 2.081 43 Y HA -0.549 3.990 4.550 -0.018 0.000 0.280 43 Y C 2.450 178.376 175.900 0.043 0.000 1.163 43 Y CA 4.597 62.718 58.100 0.036 0.000 1.135 43 Y CB -0.763 37.711 38.460 0.023 0.000 0.970 43 Y HN 0.163 8.782 8.280 0.565 0.000 0.498 44 A N -0.445 122.497 122.820 0.204 0.000 1.849 44 A HA -0.437 3.963 4.320 0.133 0.000 0.217 44 A C 1.898 179.559 177.584 0.128 0.000 1.202 44 A CA 3.166 55.280 52.037 0.128 0.000 0.629 44 A CB -1.026 18.014 19.000 0.067 0.000 0.834 44 A HN 0.005 8.269 8.150 0.189 0.000 0.447 45 I N -2.339 118.301 120.570 0.118 0.000 2.087 45 I HA -0.631 3.615 4.170 0.126 0.000 0.240 45 I C 2.262 178.485 176.117 0.177 0.000 1.054 45 I CA 4.303 65.688 61.300 0.141 0.000 1.311 45 I CB -0.250 37.840 38.000 0.150 0.000 1.024 45 I HN 0.366 8.632 8.210 0.094 0.000 0.402 46 T N -1.635 113.021 114.554 0.170 0.000 3.007 46 T HA -0.189 4.308 4.350 0.244 0.000 0.270 46 T C 1.248 176.079 174.700 0.218 0.000 1.107 46 T CA 3.474 65.667 62.100 0.154 0.000 1.118 46 T CB -0.425 68.415 68.868 -0.047 0.000 0.889 46 T HN 0.037 8.373 8.240 0.160 0.000 0.506 47 T N 3.118 117.809 114.554 0.228 0.000 2.939 47 T HA -0.026 4.623 4.350 0.499 0.000 0.254 47 T C 1.072 175.918 174.700 0.244 0.000 1.041 47 T CA 3.843 66.132 62.100 0.315 0.000 1.142 47 T CB 0.162 69.191 68.868 0.268 0.000 0.874 47 T HN -0.493 7.708 8.240 0.179 0.147 0.452 48 L N 1.372 122.708 121.223 0.188 0.000 2.046 48 L HA -0.417 4.010 4.340 0.146 0.000 0.208 48 L C 1.349 178.328 176.870 0.181 0.000 1.077 48 L CA 3.468 58.403 54.840 0.159 0.000 0.747 48 L CB -0.504 41.628 42.059 0.122 0.000 0.896 48 L HN -0.285 8.050 8.230 0.175 0.000 0.432 49 V N 0.163 120.199 119.914 0.203 0.000 2.222 49 V HA -0.381 3.851 4.120 0.186 0.000 0.252 49 V C 0.174 176.391 176.094 0.206 0.000 1.060 49 V CA 6.067 68.490 62.300 0.205 0.000 1.027 49 V CB -2.275 29.679 31.823 0.218 0.000 0.644 49 V HN -0.247 8.067 8.190 0.207 0.000 0.448 50 P HA -0.120 4.396 4.420 0.161 0.000 0.222 50 P C 0.739 178.151 177.300 0.188 0.000 1.153 50 P CA 2.262 65.472 63.100 0.183 0.000 0.798 50 P CB -0.825 30.967 31.700 0.153 0.000 0.796 51 A N -0.305 122.630 122.820 0.191 0.000 1.902 51 A HA -0.251 4.206 4.320 0.229 0.000 0.217 51 A C 2.275 180.000 177.584 0.234 0.000 1.181 51 A CA 3.062 55.224 52.037 0.209 0.000 0.623 51 A CB -0.662 18.435 19.000 0.162 0.000 0.818 51 A HN -0.574 7.620 8.150 0.195 0.073 0.443 52 I N -1.108 119.575 120.570 0.189 0.000 2.118 52 I HA -0.619 3.643 4.170 0.154 0.000 0.241 52 I C 1.548 177.771 176.117 0.176 0.000 1.070 52 I CA 4.382 65.788 61.300 0.176 0.000 1.327 52 I CB -0.275 37.841 38.000 0.193 0.000 1.034 52 I HN 0.229 8.548 8.210 0.181 0.000 0.405 53 A N -0.414 122.521 122.820 0.192 0.000 1.883 53 A HA -0.368 4.077 4.320 0.209 0.000 0.217 53 A C 1.564 179.284 177.584 0.227 0.000 1.186 53 A CA 3.162 55.319 52.037 0.199 0.000 0.624 53 A CB -0.865 18.226 19.000 0.151 0.000 0.822 53 A HN -0.719 7.546 8.150 0.192 0.000 0.444 54 F N -0.707 119.291 119.950 0.080 0.000 2.043 54 F HA -0.431 4.136 4.527 0.067 0.000 0.297 54 F C 1.491 177.344 175.800 0.087 0.000 1.121 54 F CA 3.228 61.271 58.000 0.072 0.000 1.199 54 F CB -0.309 38.719 39.000 0.047 0.000 0.968 54 F HN 0.416 8.806 8.300 0.330 0.108 0.478 55 T N 1.465 115.954 114.554 -0.110 0.000 2.635 55 T HA -0.525 3.585 4.350 -0.400 0.000 0.267 55 T C 2.357 176.949 174.700 -0.179 0.000 1.040 55 T CA 5.194 67.173 62.100 -0.202 0.000 1.156 55 T CB -0.316 68.549 68.868 -0.005 0.000 0.863 55 T HN -0.279 8.075 8.240 0.190 0.000 0.430 56 M N 0.973 120.529 119.600 -0.073 0.000 2.099 56 M HA -0.208 4.169 4.480 -0.171 0.000 0.262 56 M C 2.677 178.863 176.300 -0.190 0.000 1.067 56 M CA 2.107 57.328 55.300 -0.131 0.000 1.124 56 M CB -0.888 31.644 32.600 -0.114 0.000 1.353 56 M HN -0.224 8.072 8.290 0.009 0.000 0.410 57 Y N -0.364 119.817 120.300 -0.199 0.000 2.165 57 Y HA -0.361 4.061 4.550 -0.213 0.000 0.286 57 Y C 2.347 178.135 175.900 -0.188 0.000 1.155 57 Y CA 4.469 62.460 58.100 -0.181 0.000 1.164 57 Y CB -0.884 37.518 38.460 -0.096 0.000 0.978 57 Y HN 0.705 9.014 8.280 0.232 0.110 0.513 58 L N -0.228 120.900 121.223 -0.159 0.000 1.990 58 L HA -0.439 3.829 4.340 -0.119 0.000 0.213 58 L C 1.894 178.685 176.870 -0.132 0.000 1.072 58 L CA 2.899 57.617 54.840 -0.204 0.000 0.755 58 L CB -0.382 41.419 42.059 -0.429 0.000 0.889 58 L HN 0.252 8.336 8.230 -0.243 0.000 0.432 59 S N -0.408 115.205 115.700 -0.145 0.000 2.374 59 S HA -0.408 4.056 4.470 -0.011 0.000 0.227 59 S C 2.787 177.367 174.600 -0.033 0.000 1.037 59 S CA 3.498 61.663 58.200 -0.058 0.000 1.024 59 S CB -0.606 62.568 63.200 -0.043 0.000 0.861 59 S HN -0.357 7.840 8.310 -0.189 0.000 0.456 60 M N 3.270 122.777 119.600 -0.154 0.000 2.077 60 M HA -0.297 4.228 4.480 0.075 0.000 0.261 60 M C 2.684 178.991 176.300 0.011 0.000 1.070 60 M CA 3.472 58.698 55.300 -0.122 0.000 1.125 60 M CB -0.250 32.012 32.600 -0.563 0.000 1.339 60 M HN -0.607 7.522 8.290 -0.249 0.011 0.409 61 L N 1.542 122.748 121.223 -0.029 0.000 1.997 61 L HA -0.367 4.042 4.340 0.114 0.000 0.216 61 L C 0.918 177.847 176.870 0.098 0.000 1.074 61 L CA 3.174 58.057 54.840 0.072 0.000 0.763 61 L CB -0.163 41.946 42.059 0.083 0.000 0.890 61 L HN -0.081 8.092 8.230 -0.096 0.000 0.434 62 L N -6.131 115.130 121.223 0.064 0.000 2.552 62 L HA -0.219 4.159 4.340 0.063 0.000 0.227 62 L C 0.907 177.837 176.870 0.100 0.000 1.146 62 L CA 1.041 55.922 54.840 0.068 0.000 0.858 62 L CB -0.392 41.688 42.059 0.036 0.000 0.969 62 L HN 0.100 8.347 8.230 0.029 0.000 0.451 63 G N -1.746 107.131 108.800 0.128 0.000 2.308 63 G HA2 -0.417 3.629 3.960 0.142 0.000 0.221 63 G HA3 -0.417 3.611 3.960 0.113 0.000 0.221 63 G C 0.949 175.948 174.900 0.165 0.000 1.032 63 G CA 0.666 45.848 45.100 0.137 0.000 0.623 63 G HN -0.479 7.687 8.290 0.125 0.199 0.506 64 Y N 4.815 125.150 120.300 0.059 0.000 2.139 64 Y HA -0.456 4.181 4.550 0.145 0.000 0.282 64 Y C 0.749 176.743 175.900 0.158 0.000 1.179 64 Y CA 2.960 61.127 58.100 0.112 0.000 1.161 64 Y CB -0.082 38.431 38.460 0.089 0.000 0.970 64 Y HN -0.204 8.162 8.280 0.277 0.081 0.511 65 G N -4.714 104.095 108.800 0.016 0.000 2.848 65 G HA2 -0.221 2.986 3.960 -1.256 0.000 0.208 65 G HA3 -0.221 3.411 3.960 -0.546 0.000 0.208 65 G C -1.267 173.402 174.900 -0.385 0.000 1.152 65 G CA -0.155 44.613 45.100 -0.553 0.000 0.789 65 G HN -0.366 7.854 8.290 0.118 0.140 0.531 66 L N -0.557 120.643 121.223 -0.039 0.000 2.334 66 L HA 0.338 4.564 4.340 -0.391 -0.121 0.277 66 L C -0.740 176.170 176.870 0.066 0.000 1.075 66 L CA -0.418 54.323 54.840 -0.166 0.000 0.804 66 L CB 1.490 43.391 42.059 -0.264 0.000 1.174 66 L HN -0.408 7.644 8.230 0.035 0.199 0.438 67 T N 4.347 118.929 114.554 0.046 0.000 2.787 67 T HA 0.223 4.574 4.350 0.001 0.000 0.297 67 T C -2.264 172.413 174.700 -0.039 0.000 1.221 67 T CA -1.135 60.988 62.100 0.038 0.000 1.006 67 T CB 2.877 71.797 68.868 0.087 0.000 1.328 67 T HN 0.620 8.714 8.240 -0.079 0.099 0.509 68 M N 3.203 122.774 119.600 -0.048 0.000 2.383 68 M HA 0.492 5.105 4.480 -0.082 -0.182 0.325 68 M C -1.470 174.803 176.300 -0.045 0.000 1.092 68 M CA -1.627 53.633 55.300 -0.066 0.000 0.961 68 M CB 2.055 34.608 32.600 -0.079 0.000 1.672 68 M HN 0.189 8.451 8.290 -0.047 0.000 0.438 69 V N 5.672 125.561 119.914 -0.041 0.000 2.531 69 V HA 0.508 4.639 4.120 0.020 0.000 0.301 69 V C -2.564 173.511 176.094 -0.033 0.000 1.034 69 V CA -3.161 59.153 62.300 0.023 0.000 0.865 69 V CB 3.581 35.502 31.823 0.163 0.000 0.995 69 V HN 0.986 9.007 8.190 -0.078 0.122 0.424 70 P HA 0.525 5.047 4.420 -0.124 -0.176 0.287 70 P C -1.579 175.789 177.300 0.113 0.000 1.307 70 P CA -0.690 62.396 63.100 -0.024 0.000 0.777 70 P CB -0.580 31.120 31.700 -0.001 0.000 0.883 71 F N 1.176 121.126 119.950 -0.001 0.000 2.713 71 F HA 0.542 5.183 4.527 0.028 -0.098 0.311 71 F C -1.036 174.732 175.800 -0.053 0.000 1.141 71 F CA -1.901 56.111 58.000 0.019 0.000 0.939 71 F CB 2.640 41.698 39.000 0.097 0.000 1.325 71 F HN -0.048 8.076 8.300 -0.294 0.000 0.453 72 G N 1.087 110.059 108.800 0.287 0.000 5.059 72 G HA2 -0.556 3.207 3.960 -0.329 0.000 0.336 72 G HA3 -0.556 3.344 3.960 -0.100 0.000 0.336 72 G C 0.029 174.872 174.900 -0.095 0.000 1.364 72 G CA 1.342 46.392 45.100 -0.083 0.000 1.020 72 G HN 0.500 9.002 8.290 0.353 0.000 0.807 73 G N 2.207 110.939 108.800 -0.112 0.000 3.738 73 G HA2 0.079 3.996 3.960 -0.071 0.000 0.241 73 G HA3 0.079 3.981 3.960 -0.096 0.000 0.241 73 G C -1.364 173.467 174.900 -0.115 0.000 1.068 73 G CA 0.094 45.135 45.100 -0.099 0.000 0.899 73 G HN -0.021 8.157 8.290 -0.149 0.023 0.519 74 E N -1.167 118.927 120.200 -0.177 0.000 2.408 74 E HA 0.289 4.559 4.350 -0.133 0.000 0.266 74 E C -2.318 174.131 176.600 -0.251 0.000 1.025 74 E CA -1.859 54.431 56.400 -0.184 0.000 0.881 74 E CB 0.962 30.565 29.700 -0.161 0.000 1.660 74 E HN -0.233 7.985 8.360 -0.236 0.000 0.458 75 Q N -1.150 118.523 119.800 -0.212 0.000 2.490 75 Q HA -0.016 4.202 4.340 -0.202 0.000 0.226 75 Q C -0.697 175.147 176.000 -0.259 0.000 1.132 75 Q CA -0.738 54.943 55.803 -0.204 0.000 0.928 75 Q CB -0.561 28.099 28.738 -0.130 0.000 1.299 75 Q HN 0.240 8.406 8.270 -0.172 0.000 0.528 76 N N 4.520 122.985 118.700 -0.393 0.000 2.422 76 N HA 0.300 4.814 4.740 -0.378 0.000 0.264 76 N C -1.633 173.754 175.510 -0.204 0.000 1.063 76 N CA -1.161 51.623 53.050 -0.442 0.000 0.959 76 N CB 1.150 38.989 38.487 -1.079 0.000 1.087 76 N HN 0.102 8.210 8.380 -0.453 0.000 0.483 77 P HA 0.060 4.539 4.420 -0.156 -0.152 0.267 77 P C -1.687 175.561 177.300 -0.085 0.000 1.205 77 P CA 0.510 63.525 63.100 -0.141 0.000 0.765 77 P CB 0.391 32.000 31.700 -0.153 0.000 0.828 78 I N 0.790 121.299 120.570 -0.102 0.000 2.571 78 I HA 0.335 4.562 4.170 0.096 0.000 0.289 78 I C -1.641 174.463 176.117 -0.021 0.000 1.115 78 I CA -1.631 59.686 61.300 0.027 0.000 1.045 78 I CB 3.629 41.710 38.000 0.135 0.000 1.238 78 I HN 0.915 8.937 8.210 -0.144 0.102 0.424 79 Y N 6.492 126.841 120.300 0.082 0.000 2.691 79 Y HA 0.241 4.889 4.550 -0.161 -0.195 0.338 79 Y C 1.366 177.240 175.900 -0.045 0.000 1.148 79 Y CA -1.589 56.461 58.100 -0.084 0.000 1.430 79 Y CB -1.583 36.765 38.460 -0.187 0.000 1.303 79 Y HN 0.508 8.975 8.280 0.313 0.000 0.499 80 W N 2.586 123.977 121.300 0.150 0.000 2.364 80 W HA -0.419 4.416 4.660 0.292 0.000 0.281 80 W C -0.334 176.254 176.519 0.114 0.000 1.219 80 W CA 1.667 59.103 57.345 0.153 0.000 1.220 80 W CB -1.336 28.123 29.460 -0.001 0.000 1.127 80 W HN -0.173 8.162 8.180 0.258 0.000 0.556 81 A N 0.667 122.928 122.820 -0.932 0.000 2.032 81 A HA -0.435 3.334 4.320 -0.918 0.000 0.221 81 A C 2.025 179.264 177.584 -0.574 0.000 1.165 81 A CA 2.706 54.213 52.037 -0.882 0.000 0.645 81 A CB -0.763 17.679 19.000 -0.930 0.000 0.807 81 A HN -0.495 6.794 8.150 -1.394 0.025 0.453 82 R N -1.972 118.102 120.500 -0.710 0.000 2.097 82 R HA -0.345 3.352 4.340 -1.341 -0.161 0.236 82 R C 2.562 178.081 176.300 -1.300 0.000 1.135 82 R CA 3.610 58.901 56.100 -1.349 0.000 0.934 82 R CB -0.398 28.755 30.300 -1.912 0.000 0.846 82 R HN -0.565 7.345 8.270 -0.557 0.026 0.431 83 Y N -2.099 117.875 120.300 -0.544 0.000 2.224 83 Y HA -0.369 4.204 4.550 0.039 0.000 0.289 83 Y C 2.312 178.158 175.900 -0.089 0.000 1.146 83 Y CA 3.171 61.193 58.100 -0.130 0.000 1.182 83 Y CB -1.053 37.427 38.460 0.033 0.000 0.983 83 Y HN -0.637 7.485 8.280 -0.263 0.000 0.524 84 A N -0.846 122.024 122.820 0.084 0.000 1.892 84 A HA -0.507 3.871 4.320 0.097 0.000 0.218 84 A C 1.859 179.468 177.584 0.042 0.000 1.188 84 A CA 3.084 55.178 52.037 0.095 0.000 0.631 84 A CB -1.087 18.026 19.000 0.188 0.000 0.822 84 A HN -0.392 7.822 8.150 0.106 0.000 0.447 85 D N -1.159 119.199 120.400 -0.070 0.000 2.088 85 D HA -0.264 4.457 4.640 0.135 0.000 0.191 85 D C 1.809 178.170 176.300 0.101 0.000 0.992 85 D CA 2.845 56.843 54.000 -0.004 0.000 0.831 85 D CB -0.152 40.568 40.800 -0.134 0.000 0.973 85 D HN -0.278 7.959 8.370 -0.220 0.000 0.447 86 W N -0.973 120.253 121.300 -0.123 0.000 2.325 86 W HA -0.184 4.353 4.660 -0.205 0.000 0.299 86 W C 3.126 179.527 176.519 -0.197 0.000 1.215 86 W CA 0.838 58.056 57.345 -0.211 0.000 1.244 86 W CB -1.296 27.953 29.460 -0.351 0.000 1.140 86 W HN 0.499 8.401 8.180 -0.288 0.105 0.523 87 L N -0.888 120.314 121.223 -0.036 0.000 2.043 87 L HA -0.339 3.898 4.340 -0.171 0.000 0.212 87 L C 0.555 177.238 176.870 -0.311 0.000 1.075 87 L CA 3.395 58.059 54.840 -0.292 0.000 0.752 87 L CB -0.331 41.372 42.059 -0.593 0.000 0.891 87 L HN -0.045 8.156 8.230 -0.022 0.015 0.432 88 F N -7.020 112.986 119.950 0.093 0.000 2.343 88 F HA 0.104 4.678 4.527 0.080 0.000 0.286 88 F C 2.044 177.896 175.800 0.086 0.000 1.057 88 F CA 2.034 60.085 58.000 0.085 0.000 1.365 88 F CB 0.220 39.271 39.000 0.085 0.000 1.114 88 F HN -0.936 7.324 8.300 -0.066 0.000 0.545 89 T N 1.820 116.541 114.554 0.279 0.000 2.788 89 T HA -0.383 4.087 4.350 0.200 0.000 0.268 89 T C 1.712 176.482 174.700 0.116 0.000 1.044 89 T CA 4.865 67.081 62.100 0.192 0.000 1.139 89 T CB -0.126 68.856 68.868 0.189 0.000 0.867 89 T HN -0.014 8.404 8.240 0.296 0.000 0.454 90 T N 2.499 117.092 114.554 0.063 0.000 2.737 90 T HA -0.163 4.180 4.350 -0.011 0.000 0.265 90 T C -0.400 174.368 174.700 0.113 0.000 1.038 90 T CA 6.622 68.726 62.100 0.006 0.000 1.144 90 T CB -1.964 66.794 68.868 -0.183 0.000 0.866 90 T HN -0.507 7.776 8.240 0.072 0.000 0.434 91 P HA -0.273 4.241 4.420 0.158 0.000 0.216 91 P C 1.311 178.708 177.300 0.161 0.000 1.154 91 P CA 3.509 66.698 63.100 0.150 0.000 0.865 91 P CB -0.346 31.443 31.700 0.149 0.000 0.789 92 L N -3.455 117.866 121.223 0.162 0.000 2.012 92 L HA -0.411 4.027 4.340 0.164 0.000 0.210 92 L C 2.088 179.066 176.870 0.179 0.000 1.073 92 L CA 3.069 58.009 54.840 0.166 0.000 0.748 92 L CB -0.533 41.626 42.059 0.166 0.000 0.891 92 L HN -0.688 7.642 8.230 0.167 0.000 0.431 93 L N -0.478 120.818 121.223 0.122 0.000 2.043 93 L HA -0.340 4.231 4.340 0.121 -0.159 0.212 93 L C 2.253 179.231 176.870 0.181 0.000 1.075 93 L CA 2.997 57.863 54.840 0.044 0.000 0.752 93 L CB -0.008 41.910 42.059 -0.235 0.000 0.891 93 L HN -0.177 8.111 8.230 0.096 0.000 0.432 94 L N -1.774 119.556 121.223 0.178 0.000 2.012 94 L HA -0.363 4.079 4.340 0.170 0.000 0.210 94 L C 2.242 179.266 176.870 0.257 0.000 1.073 94 L CA 3.364 58.320 54.840 0.194 0.000 0.748 94 L CB -0.982 41.175 42.059 0.164 0.000 0.891 94 L HN -0.383 7.950 8.230 0.171 0.000 0.431 95 L N -0.762 120.598 121.223 0.228 0.000 2.079 95 L HA -0.489 3.975 4.340 0.207 0.000 0.210 95 L C 1.755 178.785 176.870 0.267 0.000 1.081 95 L CA 3.578 58.547 54.840 0.215 0.000 0.752 95 L CB -0.646 41.510 42.059 0.161 0.000 0.896 95 L HN 0.357 8.534 8.230 0.201 0.174 0.433 96 D N -0.224 120.380 120.400 0.340 0.000 2.106 96 D HA -0.340 4.637 4.640 0.561 0.000 0.191 96 D C 2.389 178.965 176.300 0.461 0.000 0.997 96 D CA 3.881 58.165 54.000 0.473 0.000 0.834 96 D CB -0.271 40.842 40.800 0.523 0.000 0.956 96 D HN 0.070 8.631 8.370 0.318 0.000 0.448 97 L N -1.135 120.346 121.223 0.430 0.000 2.056 97 L HA -0.252 4.337 4.340 0.415 0.000 0.207 97 L C 2.123 179.216 176.870 0.372 0.000 1.078 97 L CA 2.554 57.668 54.840 0.457 0.000 0.749 97 L CB -1.127 41.264 42.059 0.553 0.000 0.901 97 L HN -0.697 7.794 8.230 0.434 0.000 0.433 98 A N 0.115 123.162 122.820 0.379 0.000 1.873 98 A HA -0.416 3.886 4.320 -0.030 0.000 0.218 98 A C 2.146 179.769 177.584 0.065 0.000 1.193 98 A CA 3.247 55.392 52.037 0.181 0.000 0.629 98 A CB -0.595 18.553 19.000 0.246 0.000 0.826 98 A HN 0.542 8.940 8.150 0.413 0.000 0.447 99 L N -1.742 119.588 121.223 0.178 0.000 2.042 99 L HA -0.246 4.145 4.340 0.086 0.000 0.210 99 L C 3.101 180.170 176.870 0.331 0.000 1.076 99 L CA 2.707 57.664 54.840 0.195 0.000 0.749 99 L CB -1.029 41.079 42.059 0.083 0.000 0.893 99 L HN 0.041 8.410 8.230 0.233 0.000 0.432 100 L N -0.648 120.796 121.223 0.369 0.000 2.083 100 L HA -0.238 4.221 4.340 0.199 0.000 0.209 100 L C 1.350 178.221 176.870 0.002 0.000 1.083 100 L CA 2.836 57.771 54.840 0.158 0.000 0.752 100 L CB 0.069 42.155 42.059 0.044 0.000 0.899 100 L HN -0.100 8.385 8.230 0.425 0.000 0.433 101 V N -5.926 113.908 119.914 -0.134 0.000 3.649 101 V HA -0.050 3.898 4.120 -0.286 0.000 0.275 101 V C -1.350 174.570 176.094 -0.290 0.000 1.281 101 V CA -0.290 61.803 62.300 -0.344 0.000 1.143 101 V CB 0.406 31.786 31.823 -0.738 0.000 0.892 101 V HN -0.437 7.694 8.190 -0.099 0.000 0.441 102 D N -0.621 119.685 120.400 -0.157 0.000 2.697 102 D HA -0.430 4.177 4.640 -0.056 0.000 0.235 102 D C -1.020 175.173 176.300 -0.178 0.000 1.167 102 D CA 0.877 54.809 54.000 -0.112 0.000 0.656 102 D CB -0.684 40.077 40.800 -0.065 0.000 1.025 102 D HN -0.686 7.443 8.370 -0.074 0.197 0.419 103 A N -1.103 121.561 122.820 -0.260 0.000 2.407 103 A HA -0.049 4.074 4.320 -0.328 0.000 0.248 103 A C -0.867 176.662 177.584 -0.091 0.000 1.082 103 A CA 0.481 52.349 52.037 -0.281 0.000 0.785 103 A CB 1.052 19.793 19.000 -0.432 0.000 1.020 103 A HN -0.223 7.665 8.150 -0.255 0.108 0.489 104 D N 2.173 122.543 120.400 -0.049 0.000 2.488 104 D HA -0.154 4.481 4.640 -0.008 0.000 0.238 104 D C 1.524 177.848 176.300 0.040 0.000 1.138 104 D CA 1.068 55.070 54.000 0.002 0.000 0.873 104 D CB 0.843 41.654 40.800 0.018 0.000 1.183 104 D HN 0.107 8.435 8.370 -0.070 0.000 0.458 105 Q N 4.170 123.992 119.800 0.036 0.000 2.197 105 Q HA -0.453 3.921 4.340 0.056 0.000 0.211 105 Q C 2.284 178.325 176.000 0.068 0.000 0.993 105 Q CA 3.634 59.467 55.803 0.050 0.000 0.883 105 Q CB -0.159 28.601 28.738 0.035 0.000 0.916 105 Q HN 0.515 8.797 8.270 0.020 0.000 0.418 106 G N -1.947 106.892 108.800 0.066 0.000 2.586 106 G HA2 -0.317 3.686 3.960 0.071 0.000 0.218 106 G HA3 -0.317 3.687 3.960 0.073 0.000 0.218 106 G C 1.198 176.165 174.900 0.112 0.000 1.216 106 G CA 2.444 47.592 45.100 0.079 0.000 0.786 106 G HN 0.372 8.673 8.290 0.053 0.021 0.583 107 T N 2.594 117.230 114.554 0.137 0.000 2.708 107 T HA -0.363 4.100 4.350 0.189 0.000 0.266 107 T C 1.987 176.809 174.700 0.203 0.000 1.037 107 T CA 3.401 65.617 62.100 0.194 0.000 1.146 107 T CB -0.338 68.694 68.868 0.272 0.000 0.865 107 T HN -0.448 7.862 8.240 0.117 0.000 0.435 108 I N 1.932 122.617 120.570 0.192 0.000 2.113 108 I HA -0.609 3.698 4.170 0.228 0.000 0.242 108 I C 1.722 177.928 176.117 0.147 0.000 1.064 108 I CA 3.829 65.237 61.300 0.181 0.000 1.320 108 I CB -0.569 37.514 38.000 0.138 0.000 1.028 108 I HN -0.507 7.803 8.210 0.167 0.000 0.406 109 L N -0.755 120.540 121.223 0.121 0.000 1.994 109 L HA -0.405 3.995 4.340 0.099 0.000 0.208 109 L C 1.539 178.477 176.870 0.114 0.000 1.071 109 L CA 3.196 58.099 54.840 0.103 0.000 0.745 109 L CB -0.757 41.351 42.059 0.081 0.000 0.892 109 L HN -0.169 8.128 8.230 0.113 0.000 0.431 110 A N -0.715 122.184 122.820 0.132 0.000 1.927 110 A HA -0.400 3.987 4.320 0.112 0.000 0.220 110 A C 2.193 179.908 177.584 0.218 0.000 1.185 110 A CA 3.135 55.270 52.037 0.162 0.000 0.639 110 A CB -0.941 18.183 19.000 0.206 0.000 0.820 110 A HN -0.289 7.940 8.150 0.132 0.000 0.451 111 L N -1.354 119.994 121.223 0.207 0.000 1.970 111 L HA -0.384 4.092 4.340 0.227 0.000 0.212 111 L C 2.382 179.349 176.870 0.160 0.000 1.071 111 L CA 3.502 58.449 54.840 0.179 0.000 0.751 111 L CB -0.465 41.665 42.059 0.118 0.000 0.889 111 L HN 0.297 8.530 8.230 0.188 0.110 0.432 112 V N -1.265 118.733 119.914 0.140 0.000 2.295 112 V HA -0.497 3.700 4.120 0.129 0.000 0.246 112 V C 2.165 178.318 176.094 0.098 0.000 1.049 112 V CA 4.669 67.042 62.300 0.122 0.000 1.024 112 V CB -0.598 31.296 31.823 0.118 0.000 0.648 112 V HN 0.394 8.668 8.190 0.141 0.000 0.447 113 G N -1.622 107.231 108.800 0.089 0.000 2.459 113 G HA2 -0.395 3.594 3.960 0.048 0.000 0.217 113 G HA3 -0.395 3.596 3.960 0.051 0.000 0.217 113 G C 0.544 175.473 174.900 0.048 0.000 1.183 113 G CA 2.305 47.441 45.100 0.059 0.000 0.776 113 G HN 0.270 8.619 8.290 0.099 0.000 0.552 114 A N 1.579 124.444 122.820 0.075 0.000 1.892 114 A HA -0.388 3.938 4.320 0.010 0.000 0.218 114 A C 1.599 179.231 177.584 0.079 0.000 1.188 114 A CA 3.114 55.197 52.037 0.077 0.000 0.631 114 A CB -0.503 18.618 19.000 0.201 0.000 0.822 114 A HN -0.028 8.187 8.150 0.109 0.000 0.447 115 D N -1.037 119.426 120.400 0.105 0.000 2.104 115 D HA -0.407 4.267 4.640 0.057 0.000 0.194 115 D C 2.061 178.361 176.300 -0.000 0.000 0.994 115 D CA 4.200 58.240 54.000 0.068 0.000 0.830 115 D CB -0.190 40.679 40.800 0.116 0.000 0.959 115 D HN 0.062 8.513 8.370 0.135 0.000 0.452 116 G N -0.482 108.324 108.800 0.010 0.000 2.599 116 G HA2 -0.420 3.517 3.960 -0.038 0.000 0.219 116 G HA3 -0.420 3.581 3.960 -0.004 -0.044 0.219 116 G C 1.424 176.304 174.900 -0.034 0.000 1.193 116 G CA 2.339 47.428 45.100 -0.017 0.000 0.778 116 G HN 0.123 8.436 8.290 0.039 0.000 0.589 117 I N 2.468 123.023 120.570 -0.024 0.000 2.099 117 I HA -0.583 3.561 4.170 -0.044 0.000 0.239 117 I C 2.355 178.443 176.117 -0.049 0.000 1.066 117 I CA 4.027 65.306 61.300 -0.035 0.000 1.324 117 I CB -0.088 37.897 38.000 -0.027 0.000 1.037 117 I HN -0.239 7.966 8.210 -0.008 0.000 0.401 118 M N 1.153 120.721 119.600 -0.053 0.000 2.110 118 M HA -0.516 3.903 4.480 -0.101 0.000 0.257 118 M C 2.102 178.333 176.300 -0.116 0.000 1.071 118 M CA 3.864 59.104 55.300 -0.100 0.000 1.096 118 M CB -0.033 32.499 32.600 -0.113 0.000 1.300 118 M HN 0.002 8.275 8.290 -0.029 0.000 0.411 119 I N -3.087 117.424 120.570 -0.099 0.000 2.202 119 I HA -0.325 3.851 4.170 0.010 0.000 0.242 119 I C 2.158 178.311 176.117 0.060 0.000 1.091 119 I CA 1.904 63.198 61.300 -0.009 0.000 1.368 119 I CB -1.626 36.365 38.000 -0.015 0.000 1.058 119 I HN 0.273 8.422 8.210 -0.102 0.000 0.410 120 G N -0.185 108.601 108.800 -0.023 0.000 2.469 120 G HA2 -0.382 3.543 3.960 -0.058 0.000 0.219 120 G HA3 -0.382 3.578 3.960 -0.090 -0.053 0.219 120 G C 1.152 175.968 174.900 -0.141 0.000 1.150 120 G CA 2.707 47.764 45.100 -0.072 0.000 0.763 120 G HN 0.318 8.581 8.290 -0.045 0.000 0.561 121 T N 4.696 119.172 114.554 -0.130 0.000 2.746 121 T HA -0.395 3.757 4.350 -0.331 0.000 0.267 121 T C 2.226 176.846 174.700 -0.133 0.000 1.039 121 T CA 5.661 67.665 62.100 -0.160 0.000 1.142 121 T CB -0.490 68.366 68.868 -0.020 0.000 0.866 121 T HN 0.364 8.443 8.240 -0.088 0.108 0.444 122 G N 1.609 110.377 108.800 -0.053 0.000 2.529 122 G HA2 -0.368 3.559 3.960 -0.055 0.000 0.219 122 G HA3 -0.368 3.797 3.960 0.290 -0.031 0.219 122 G C 0.623 175.462 174.900 -0.102 0.000 1.177 122 G CA 2.048 47.187 45.100 0.065 0.000 0.773 122 G HN -0.350 7.914 8.290 -0.044 0.000 0.573 123 L N 1.869 122.948 121.223 -0.239 0.000 1.990 123 L HA -0.456 3.238 4.340 -1.077 0.000 0.213 123 L C 2.102 178.745 176.870 -0.379 0.000 1.072 123 L CA 3.132 57.676 54.840 -0.494 0.000 0.755 123 L CB 0.072 42.016 42.059 -0.192 0.000 0.889 123 L HN -0.037 8.126 8.230 0.002 0.068 0.432 124 V N -1.857 117.826 119.914 -0.384 0.000 2.255 124 V HA -0.496 3.377 4.120 -0.412 0.000 0.247 124 V C 2.184 178.044 176.094 -0.390 0.000 1.051 124 V CA 4.569 66.551 62.300 -0.529 0.000 1.018 124 V CB -0.625 30.576 31.823 -1.038 0.000 0.641 124 V HN -0.065 7.906 8.190 -0.366 0.000 0.445 125 G N -0.988 107.683 108.800 -0.214 0.000 2.514 125 G HA2 -0.400 3.787 3.960 0.379 0.000 0.217 125 G HA3 -0.400 3.762 3.960 0.337 0.000 0.217 125 G C 1.320 176.379 174.900 0.266 0.000 1.198 125 G CA 2.172 47.404 45.100 0.219 0.000 0.780 125 G HN 0.218 8.353 8.290 -0.258 0.000 0.565 126 A N 3.239 126.212 122.820 0.256 0.000 1.958 126 A HA -0.210 4.392 4.320 0.222 -0.149 0.221 126 A C 2.073 179.682 177.584 0.042 0.000 1.178 126 A CA 2.597 54.722 52.037 0.148 0.000 0.642 126 A CB -0.257 18.678 19.000 -0.108 0.000 0.816 126 A HN 0.349 8.605 8.150 0.177 0.000 0.453 127 L N -8.857 112.353 121.223 -0.021 0.000 2.585 127 L HA 0.104 4.477 4.340 0.056 0.000 0.226 127 L C -0.196 176.703 176.870 0.048 0.000 1.113 127 L CA -0.853 53.989 54.840 0.005 0.000 0.876 127 L CB 0.154 42.172 42.059 -0.069 0.000 1.072 127 L HN -0.575 7.583 8.230 -0.094 0.015 0.468 128 T N 3.409 118.003 114.554 0.066 0.000 2.784 128 T HA -0.114 4.317 4.350 0.135 0.000 0.291 128 T C 0.179 174.971 174.700 0.153 0.000 0.942 128 T CA 1.896 64.083 62.100 0.145 0.000 1.161 128 T CB 0.162 69.203 68.868 0.287 0.000 0.885 128 T HN -0.541 7.609 8.240 0.050 0.120 0.534 129 K N 7.093 127.593 120.400 0.167 0.000 2.032 129 K HA -0.206 4.435 4.320 0.250 -0.171 0.209 129 K C 0.471 177.178 176.600 0.178 0.000 1.048 129 K CA 2.291 58.689 56.287 0.184 0.000 0.927 129 K CB -0.294 32.283 32.500 0.128 0.000 0.712 129 K HN 0.016 8.352 8.250 0.143 0.000 0.441 130 V N -0.544 119.437 119.914 0.112 0.000 2.409 130 V HA -0.189 3.929 4.120 -0.004 0.000 0.270 130 V C 0.289 176.396 176.094 0.021 0.000 1.019 130 V CA -0.069 62.214 62.300 -0.029 0.000 1.066 130 V CB -1.258 30.352 31.823 -0.355 0.000 1.021 130 V HN -0.437 7.843 8.190 0.150 0.000 0.476 131 Y N 11.047 131.325 120.300 -0.036 0.000 2.040 131 Y HA -0.537 3.935 4.550 -0.129 0.000 0.275 131 Y C 1.709 177.667 175.900 0.097 0.000 1.171 131 Y CA 4.114 62.212 58.100 -0.004 0.000 1.123 131 Y CB -0.237 38.276 38.460 0.089 0.000 0.963 131 Y HN 0.101 8.530 8.280 0.248 0.000 0.493 132 S N -1.488 114.243 115.700 0.052 0.000 2.380 132 S HA -0.410 4.131 4.470 0.118 0.000 0.229 132 S C 1.991 176.726 174.600 0.224 0.000 1.043 132 S CA 3.009 61.263 58.200 0.090 0.000 1.038 132 S CB -0.650 62.574 63.200 0.040 0.000 0.872 132 S HN 0.154 8.558 8.310 0.156 0.000 0.456 133 Y N -0.732 119.594 120.300 0.042 0.000 2.439 133 Y HA -0.164 4.331 4.550 -0.091 0.000 0.292 133 Y C 1.639 177.535 175.900 -0.006 0.000 1.130 133 Y CA -0.441 57.648 58.100 -0.019 0.000 1.254 133 Y CB -1.121 37.361 38.460 0.036 0.000 1.000 133 Y HN -0.728 7.506 8.280 -0.039 0.023 0.554 134 R N -0.601 119.962 120.500 0.106 0.000 2.103 134 R HA -0.414 4.135 4.340 0.347 0.000 0.242 134 R C 2.240 178.525 176.300 -0.025 0.000 1.142 134 R CA 3.934 60.040 56.100 0.010 0.000 0.960 134 R CB -0.507 29.534 30.300 -0.431 0.000 0.858 134 R HN -0.173 7.947 8.270 -0.001 0.150 0.439 135 F N -2.917 117.126 119.950 0.155 0.000 2.234 135 F HA -0.200 4.500 4.527 0.288 0.000 0.299 135 F C 1.915 177.805 175.800 0.151 0.000 1.087 135 F CA 3.234 61.327 58.000 0.155 0.000 1.340 135 F CB -0.784 38.199 39.000 -0.029 0.000 1.031 135 F HN -0.760 7.383 8.300 -0.254 0.005 0.500 136 V N 0.093 120.084 119.914 0.128 0.000 2.255 136 V HA -0.548 3.550 4.120 -0.036 0.000 0.247 136 V C 1.382 177.383 176.094 -0.154 0.000 1.051 136 V CA 4.854 67.078 62.300 -0.127 0.000 1.018 136 V CB -0.699 30.873 31.823 -0.419 0.000 0.641 136 V HN -0.670 7.492 8.190 0.129 0.106 0.445 137 W N -2.217 119.123 121.300 0.065 0.000 2.355 137 W HA -0.385 4.257 4.660 -0.029 0.000 0.309 137 W C 2.514 179.005 176.519 -0.046 0.000 1.206 137 W CA 2.510 59.853 57.345 -0.003 0.000 1.284 137 W CB -0.321 29.136 29.460 -0.005 0.000 1.145 137 W HN -0.565 7.489 8.180 -0.210 0.000 0.502 138 W N 0.735 121.999 121.300 -0.060 0.000 2.318 138 W HA -0.598 3.766 4.660 -0.494 0.000 0.313 138 W C 1.020 177.480 176.519 -0.098 0.000 1.221 138 W CA 4.537 61.720 57.345 -0.270 0.000 1.266 138 W CB -0.346 28.947 29.460 -0.278 0.000 1.150 138 W HN 0.455 8.826 8.180 0.320 0.000 0.496 139 A N -1.210 121.756 122.820 0.242 0.000 1.873 139 A HA -0.482 3.804 4.320 -0.056 0.000 0.218 139 A C 2.045 179.570 177.584 -0.099 0.000 1.193 139 A CA 3.153 55.225 52.037 0.059 0.000 0.629 139 A CB -1.011 18.094 19.000 0.176 0.000 0.826 139 A HN 0.209 8.616 8.150 0.428 0.000 0.447 140 I N -2.329 118.221 120.570 -0.033 0.000 2.151 140 I HA -0.677 3.471 4.170 -0.038 0.000 0.243 140 I C 2.083 178.153 176.117 -0.078 0.000 1.080 140 I CA 4.093 65.380 61.300 -0.022 0.000 1.339 140 I CB -0.367 37.683 38.000 0.083 0.000 1.039 140 I HN -0.252 7.968 8.210 0.017 0.000 0.409 141 S N 0.653 116.275 115.700 -0.130 0.000 2.353 141 S HA -0.372 4.011 4.470 -0.144 0.000 0.222 141 S C 1.991 176.406 174.600 -0.308 0.000 1.035 141 S CA 4.317 62.383 58.200 -0.223 0.000 1.025 141 S CB -0.600 62.410 63.200 -0.316 0.000 0.902 141 S HN 0.353 8.613 8.310 -0.083 0.000 0.440 142 T N 3.064 117.318 114.554 -0.500 0.000 2.867 142 T HA -0.271 3.834 4.350 -0.409 0.000 0.268 142 T C 1.267 175.815 174.700 -0.253 0.000 1.057 142 T CA 3.507 65.307 62.100 -0.500 0.000 1.136 142 T CB -0.250 68.062 68.868 -0.927 0.000 0.874 142 T HN 0.078 7.939 8.240 -0.632 0.000 0.466 143 A N 0.719 123.425 122.820 -0.190 0.000 1.865 143 A HA -0.305 3.983 4.320 -0.053 0.000 0.217 143 A C 1.439 179.017 177.584 -0.010 0.000 1.191 143 A CA 3.266 55.257 52.037 -0.076 0.000 0.623 143 A CB -0.954 18.007 19.000 -0.065 0.000 0.826 143 A HN 0.086 8.098 8.150 -0.231 0.000 0.444 144 A N -1.624 121.180 122.820 -0.027 0.000 1.908 144 A HA -0.376 3.983 4.320 0.064 0.000 0.218 144 A C 1.921 179.572 177.584 0.112 0.000 1.181 144 A CA 3.025 55.083 52.037 0.035 0.000 0.627 144 A CB -0.887 18.104 19.000 -0.015 0.000 0.818 144 A HN -0.062 8.045 8.150 -0.072 0.000 0.445 145 M N -0.027 119.594 119.600 0.035 0.000 2.065 145 M HA -0.469 4.153 4.480 0.237 0.000 0.259 145 M C 1.870 178.263 176.300 0.156 0.000 1.069 145 M CA 4.065 59.434 55.300 0.114 0.000 1.110 145 M CB 0.147 32.735 32.600 -0.020 0.000 1.328 145 M HN -0.146 8.106 8.290 -0.064 0.000 0.405 146 L N -0.941 120.333 121.223 0.085 0.000 2.013 146 L HA -0.504 3.885 4.340 0.082 0.000 0.212 146 L C 1.158 178.114 176.870 0.143 0.000 1.073 146 L CA 3.326 58.222 54.840 0.095 0.000 0.753 146 L CB -0.178 41.917 42.059 0.060 0.000 0.890 146 L HN 0.304 8.439 8.230 0.022 0.108 0.432 147 Y N -0.955 119.371 120.300 0.044 0.000 2.069 147 Y HA -0.567 4.011 4.550 0.045 0.000 0.278 147 Y C 1.676 177.623 175.900 0.078 0.000 1.175 147 Y CA 3.843 61.972 58.100 0.048 0.000 1.134 147 Y CB -0.178 38.285 38.460 0.004 0.000 0.965 147 Y HN -0.224 8.197 8.280 0.236 0.000 0.498 148 I N -1.591 118.965 120.570 -0.023 0.000 2.118 148 I HA -0.676 3.304 4.170 -0.317 0.000 0.241 148 I C 1.859 177.804 176.117 -0.287 0.000 1.070 148 I CA 4.446 65.649 61.300 -0.162 0.000 1.327 148 I CB -0.164 37.887 38.000 0.085 0.000 1.034 148 I HN -0.590 7.762 8.210 0.237 0.000 0.405 149 L N -1.762 119.348 121.223 -0.188 0.000 2.079 149 L HA -0.506 3.597 4.340 -0.396 0.000 0.210 149 L C 2.166 178.952 176.870 -0.139 0.000 1.081 149 L CA 3.181 57.880 54.840 -0.235 0.000 0.752 149 L CB -0.806 41.162 42.059 -0.150 0.000 0.896 149 L HN -0.103 8.103 8.230 -0.039 0.000 0.433 150 Y N 0.369 120.587 120.300 -0.137 0.000 2.070 150 Y HA -0.538 4.119 4.550 0.177 0.000 0.280 150 Y C 1.915 177.783 175.900 -0.054 0.000 1.148 150 Y CA 4.416 62.522 58.100 0.009 0.000 1.125 150 Y CB 0.084 38.561 38.460 0.029 0.000 0.975 150 Y HN 0.086 8.331 8.280 0.093 0.091 0.492 151 V N -0.996 118.865 119.914 -0.089 0.000 2.343 151 V HA -0.513 3.584 4.120 -0.039 0.000 0.247 151 V C 1.186 177.043 176.094 -0.395 0.000 1.051 151 V CA 3.749 65.915 62.300 -0.223 0.000 1.036 151 V CB -0.237 31.369 31.823 -0.362 0.000 0.654 151 V HN -0.425 7.643 8.190 -0.203 0.000 0.451 152 L N -1.151 119.774 121.223 -0.497 0.000 2.012 152 L HA -0.466 3.510 4.340 -0.608 0.000 0.210 152 L C 2.109 178.995 176.870 0.027 0.000 1.073 152 L CA 3.213 57.838 54.840 -0.358 0.000 0.748 152 L CB -0.553 41.297 42.059 -0.348 0.000 0.891 152 L HN -0.256 7.698 8.230 -0.459 0.000 0.431 153 F N 0.030 119.792 119.950 -0.312 0.000 2.049 153 F HA -0.232 4.140 4.527 -0.260 0.000 0.288 153 F C 2.249 177.812 175.800 -0.395 0.000 1.141 153 F CA 3.000 60.741 58.000 -0.432 0.000 1.165 153 F CB 0.605 39.132 39.000 -0.788 0.000 1.012 153 F HN 0.109 8.242 8.300 -0.099 0.108 0.475 154 F N -3.796 115.993 119.950 -0.268 0.000 2.407 154 F HA -0.088 4.189 4.527 -0.417 0.000 0.299 154 F C 1.688 177.350 175.800 -0.229 0.000 1.097 154 F CA 2.824 60.582 58.000 -0.404 0.000 1.422 154 F CB -0.743 37.842 39.000 -0.693 0.000 1.067 154 F HN 0.159 8.224 8.300 -0.392 0.000 0.539 155 G N -1.116 107.693 108.800 0.014 0.000 2.655 155 G HA2 -0.074 3.945 3.960 0.099 0.000 0.217 155 G HA3 -0.074 4.048 3.960 0.152 -0.071 0.217 155 G C 1.200 176.191 174.900 0.151 0.000 1.279 155 G CA 1.037 46.202 45.100 0.109 0.000 0.870 155 G HN -0.873 7.275 8.290 -0.052 0.111 0.560 156 F N 1.337 121.206 119.950 -0.136 0.000 2.192 156 F HA -0.282 4.045 4.527 -0.333 0.000 0.301 156 F C 2.407 177.879 175.800 -0.547 0.000 1.079 156 F CA 1.790 59.579 58.000 -0.352 0.000 1.303 156 F CB -0.962 37.821 39.000 -0.363 0.000 1.024 156 F HN 0.655 9.029 8.300 0.304 0.108 0.494 157 T N 1.138 115.678 114.554 -0.023 0.000 2.607 157 T HA -0.526 3.892 4.350 0.113 0.000 0.267 157 T C 1.789 176.427 174.700 -0.102 0.000 1.049 157 T CA 5.675 67.777 62.100 0.003 0.000 1.162 157 T CB -0.688 68.161 68.868 -0.032 0.000 0.863 157 T HN -0.481 7.811 8.240 0.120 0.020 0.424 158 S N 2.131 117.780 115.700 -0.085 0.000 2.359 158 S HA -0.395 4.035 4.470 -0.066 0.000 0.223 158 S C 1.991 176.527 174.600 -0.106 0.000 1.039 158 S CA 3.830 61.985 58.200 -0.075 0.000 1.042 158 S CB -0.601 62.572 63.200 -0.044 0.000 0.915 158 S HN -0.460 7.812 8.310 -0.062 0.000 0.439 159 K N 2.603 122.915 120.400 -0.147 0.000 2.032 159 K HA -0.300 3.936 4.320 -0.141 0.000 0.209 159 K C 2.732 179.193 176.600 -0.232 0.000 1.048 159 K CA 2.854 59.024 56.287 -0.195 0.000 0.927 159 K CB -0.083 32.266 32.500 -0.252 0.000 0.712 159 K HN -0.915 7.259 8.250 -0.126 0.000 0.441 160 A N -0.186 122.440 122.820 -0.325 0.000 1.883 160 A HA -0.299 3.854 4.320 -0.279 0.000 0.217 160 A C 1.972 179.482 177.584 -0.124 0.000 1.186 160 A CA 2.981 54.850 52.037 -0.280 0.000 0.624 160 A CB -0.621 18.135 19.000 -0.406 0.000 0.822 160 A HN 0.205 8.048 8.150 -0.402 0.066 0.444 161 E N -5.274 114.872 120.200 -0.090 0.000 2.396 161 E HA -0.253 4.075 4.350 -0.036 0.000 0.200 161 E C 0.656 177.222 176.600 -0.056 0.000 1.023 161 E CA 1.586 57.953 56.400 -0.054 0.000 0.857 161 E CB -0.052 29.621 29.700 -0.045 0.000 0.775 161 E HN 0.182 8.478 8.360 -0.107 0.000 0.525 162 S N -2.837 112.820 115.700 -0.072 0.000 2.554 162 S HA 0.063 4.504 4.470 -0.050 0.000 0.226 162 S C -0.465 174.099 174.600 -0.060 0.000 0.980 162 S CA 0.832 58.995 58.200 -0.062 0.000 0.939 162 S CB 0.651 63.812 63.200 -0.066 0.000 0.832 162 S HN -0.491 7.571 8.310 -0.095 0.191 0.486 163 M N 1.298 120.858 119.600 -0.066 0.000 2.119 163 M HA 0.009 4.457 4.480 -0.054 0.000 0.205 163 M C -0.026 176.245 176.300 -0.048 0.000 1.285 163 M CA 1.028 56.293 55.300 -0.059 0.000 1.160 163 M CB 0.631 33.189 32.600 -0.071 0.000 1.039 163 M HN -0.259 7.828 8.290 -0.073 0.159 0.439 164 R N -3.371 117.099 120.500 -0.051 0.000 2.771 164 R HA 0.522 4.828 4.340 -0.057 0.000 0.274 164 R C -1.611 174.659 176.300 -0.049 0.000 0.987 164 R CA -2.765 53.300 56.100 -0.057 0.000 0.908 164 R CB 1.801 32.056 30.300 -0.074 0.000 1.213 164 R HN -0.032 8.208 8.270 -0.051 0.000 0.468 165 P HA -0.229 4.171 4.420 -0.033 0.000 0.215 165 P C 1.119 178.396 177.300 -0.039 0.000 1.157 165 P CA 2.754 65.830 63.100 -0.040 0.000 0.874 165 P CB 0.128 31.803 31.700 -0.041 0.000 0.790 166 E N -2.051 118.119 120.200 -0.049 0.000 2.070 166 E HA -0.291 4.028 4.350 -0.052 0.000 0.197 166 E C 2.745 179.315 176.600 -0.050 0.000 1.004 166 E CA 3.191 59.559 56.400 -0.054 0.000 0.805 166 E CB -0.997 28.663 29.700 -0.066 0.000 0.744 166 E HN 0.634 8.960 8.360 -0.056 0.000 0.451 167 V N 0.910 120.797 119.914 -0.045 0.000 2.270 167 V HA -0.430 3.662 4.120 -0.048 0.000 0.245 167 V C 1.968 178.074 176.094 0.019 0.000 1.043 167 V CA 4.158 66.438 62.300 -0.032 0.000 1.014 167 V CB -0.325 31.472 31.823 -0.042 0.000 0.645 167 V HN -0.860 7.205 8.190 -0.050 0.095 0.447 168 A N -0.546 122.280 122.820 0.010 0.000 1.883 168 A HA -0.399 3.976 4.320 0.090 0.000 0.217 168 A C 1.997 179.625 177.584 0.072 0.000 1.186 168 A CA 3.413 55.480 52.037 0.050 0.000 0.624 168 A CB -0.774 18.230 19.000 0.006 0.000 0.822 168 A HN 0.221 8.360 8.150 -0.018 0.000 0.444 169 S N -1.828 113.881 115.700 0.014 0.000 2.351 169 S HA -0.404 4.061 4.470 -0.008 0.000 0.220 169 S C 2.242 176.824 174.600 -0.029 0.000 1.035 169 S CA 3.371 61.564 58.200 -0.011 0.000 1.031 169 S CB -0.094 63.088 63.200 -0.029 0.000 0.928 169 S HN 0.218 8.525 8.310 -0.004 0.000 0.433 170 T N 5.334 119.865 114.554 -0.040 0.000 2.652 170 T HA -0.395 3.888 4.350 -0.111 0.000 0.267 170 T C 1.481 176.129 174.700 -0.087 0.000 1.039 170 T CA 4.679 66.728 62.100 -0.084 0.000 1.153 170 T CB -0.244 68.555 68.868 -0.115 0.000 0.863 170 T HN -0.140 7.969 8.240 -0.037 0.110 0.428 171 F N 1.829 121.713 119.950 -0.110 0.000 2.087 171 F HA -0.497 3.983 4.527 -0.079 0.000 0.299 171 F C 0.948 176.719 175.800 -0.048 0.000 1.100 171 F CA 3.607 61.564 58.000 -0.073 0.000 1.226 171 F CB 0.077 39.048 39.000 -0.048 0.000 0.983 171 F HN 0.331 8.712 8.300 0.135 0.000 0.479 172 K N -1.164 119.099 120.400 -0.228 0.000 2.032 172 K HA -0.426 3.637 4.320 -0.428 0.000 0.209 172 K C 2.291 178.731 176.600 -0.268 0.000 1.048 172 K CA 3.700 59.825 56.287 -0.269 0.000 0.927 172 K CB -0.160 32.306 32.500 -0.057 0.000 0.712 172 K HN -0.556 7.727 8.250 0.054 0.000 0.441 173 V N 0.007 119.806 119.914 -0.191 0.000 2.287 173 V HA -0.487 3.559 4.120 -0.122 0.000 0.248 173 V C 1.849 177.828 176.094 -0.192 0.000 1.053 173 V CA 4.443 66.648 62.300 -0.158 0.000 1.027 173 V CB -0.382 31.365 31.823 -0.127 0.000 0.646 173 V HN -0.423 7.673 8.190 -0.156 0.000 0.447 174 L N -1.791 119.275 121.223 -0.262 0.000 1.989 174 L HA -0.498 3.748 4.340 -0.157 0.000 0.211 174 L C 2.001 178.728 176.870 -0.237 0.000 1.071 174 L CA 3.419 58.113 54.840 -0.242 0.000 0.749 174 L CB -0.884 40.989 42.059 -0.312 0.000 0.890 174 L HN -0.365 7.696 8.230 -0.282 0.000 0.431 175 R N -1.098 119.099 120.500 -0.504 0.000 2.113 175 R HA -0.543 3.542 4.340 -0.424 0.000 0.244 175 R C 2.193 178.337 176.300 -0.260 0.000 1.142 175 R CA 3.894 59.693 56.100 -0.502 0.000 0.953 175 R CB -0.331 29.469 30.300 -0.834 0.000 0.860 175 R HN 0.642 8.360 8.270 -0.733 0.112 0.438 176 N N -0.573 118.008 118.700 -0.198 0.000 2.025 176 N HA -0.283 4.378 4.740 -0.130 0.000 0.194 176 N C 2.426 177.876 175.510 -0.099 0.000 1.044 176 N CA 2.872 55.847 53.050 -0.125 0.000 0.851 176 N CB -0.743 37.692 38.487 -0.086 0.000 1.036 176 N HN -0.055 8.181 8.380 -0.239 0.000 0.422 177 V N 0.454 120.332 119.914 -0.061 0.000 2.282 177 V HA -0.477 3.651 4.120 0.014 0.000 0.249 177 V C 1.941 178.065 176.094 0.051 0.000 1.057 177 V CA 4.491 66.800 62.300 0.016 0.000 1.032 177 V CB -0.772 31.088 31.823 0.061 0.000 0.645 177 V HN 0.161 8.300 8.190 -0.084 0.000 0.447 178 T N 2.602 117.160 114.554 0.006 0.000 2.595 178 T HA -0.473 3.911 4.350 0.056 0.000 0.264 178 T C 1.988 176.573 174.700 -0.192 0.000 1.058 178 T CA 5.113 67.150 62.100 -0.106 0.000 1.166 178 T CB -0.090 68.612 68.868 -0.277 0.000 0.863 178 T HN 0.292 8.408 8.240 -0.021 0.111 0.415 179 V N 1.690 121.446 119.914 -0.264 0.000 2.278 179 V HA -0.525 3.431 4.120 -0.274 0.000 0.251 179 V C 1.918 177.965 176.094 -0.078 0.000 1.062 179 V CA 4.595 66.749 62.300 -0.244 0.000 1.038 179 V CB -0.527 31.069 31.823 -0.378 0.000 0.646 179 V HN -0.128 7.901 8.190 -0.267 0.000 0.447 180 V N -0.268 119.611 119.914 -0.058 0.000 2.220 180 V HA -0.434 3.673 4.120 -0.022 0.000 0.246 180 V C 2.619 178.768 176.094 0.091 0.000 1.049 180 V CA 4.615 66.914 62.300 -0.002 0.000 1.003 180 V CB -0.202 31.610 31.823 -0.018 0.000 0.634 180 V HN -0.409 7.726 8.190 -0.092 0.000 0.444 181 L N -0.989 120.322 121.223 0.148 0.000 2.042 181 L HA -0.478 3.937 4.340 0.126 0.000 0.210 181 L C 2.466 179.566 176.870 0.384 0.000 1.076 181 L CA 3.373 58.346 54.840 0.222 0.000 0.749 181 L CB -0.502 41.710 42.059 0.254 0.000 0.893 181 L HN -0.252 8.051 8.230 0.121 0.000 0.432 182 W N -2.319 119.043 121.300 0.103 0.000 2.317 182 W HA -0.454 4.270 4.660 0.107 0.000 0.318 182 W C 2.774 179.353 176.519 0.100 0.000 1.227 182 W CA 3.240 60.628 57.345 0.071 0.000 1.269 182 W CB -0.654 28.755 29.460 -0.085 0.000 1.155 182 W HN 0.326 8.841 8.180 0.559 0.000 0.484 183 S N -0.995 114.861 115.700 0.259 0.000 2.402 183 S HA -0.366 4.178 4.470 0.124 0.000 0.233 183 S C 1.910 176.590 174.600 0.133 0.000 1.030 183 S CA 3.327 61.611 58.200 0.141 0.000 1.003 183 S CB -0.909 62.333 63.200 0.070 0.000 0.813 183 S HN -0.245 8.214 8.310 0.248 0.000 0.477 184 A N 0.961 123.854 122.820 0.121 0.000 1.902 184 A HA -0.238 4.111 4.320 0.048 0.000 0.217 184 A C 1.550 179.175 177.584 0.070 0.000 1.181 184 A CA 2.551 54.616 52.037 0.047 0.000 0.623 184 A CB -0.966 18.005 19.000 -0.048 0.000 0.818 184 A HN -0.621 7.591 8.150 0.143 0.024 0.443 185 Y N -2.293 118.039 120.300 0.053 0.000 2.040 185 Y HA -0.395 4.362 4.550 0.345 0.000 0.275 185 Y C -0.828 175.221 175.900 0.248 0.000 1.171 185 Y CA 5.482 63.664 58.100 0.137 0.000 1.123 185 Y CB -3.001 35.351 38.460 -0.180 0.000 0.963 185 Y HN -0.472 8.004 8.280 0.327 0.000 0.493 186 P HA -0.173 4.536 4.420 0.482 0.000 0.218 186 P C 1.504 179.225 177.300 0.702 0.000 1.149 186 P CA 3.046 66.400 63.100 0.424 0.000 0.817 186 P CB -0.825 30.869 31.700 -0.009 0.000 0.785 187 V N 0.503 120.673 119.914 0.426 0.000 2.261 187 V HA -0.443 3.905 4.120 0.380 0.000 0.246 187 V C 2.033 178.260 176.094 0.222 0.000 1.047 187 V CA 4.180 66.668 62.300 0.313 0.000 1.015 187 V CB -0.333 31.595 31.823 0.175 0.000 0.642 187 V HN -0.661 7.600 8.190 0.301 0.109 0.446 188 V N -0.444 119.532 119.914 0.102 0.000 2.252 188 V HA -0.542 3.497 4.120 -0.135 0.000 0.249 188 V C 1.910 178.050 176.094 0.076 0.000 1.056 188 V CA 3.912 66.141 62.300 -0.118 0.000 1.022 188 V CB -0.659 30.796 31.823 -0.613 0.000 0.641 188 V HN -0.070 8.177 8.190 0.095 0.000 0.445 189 W N -0.395 121.027 121.300 0.205 0.000 2.333 189 W HA -0.422 4.508 4.660 0.450 0.000 0.316 189 W C 2.878 179.526 176.519 0.216 0.000 1.215 189 W CA 3.691 61.276 57.345 0.400 0.000 1.278 189 W CB 0.071 29.903 29.460 0.621 0.000 1.154 189 W HN -0.140 8.414 8.180 0.624 0.000 0.486 190 L N 0.642 122.234 121.223 0.615 0.000 2.013 190 L HA -0.403 4.083 4.340 0.244 0.000 0.212 190 L C 1.004 177.945 176.870 0.118 0.000 1.073 190 L CA 3.298 58.271 54.840 0.221 0.000 0.753 190 L CB -0.103 41.928 42.059 -0.046 0.000 0.890 190 L HN 0.026 8.699 8.230 0.738 0.000 0.432 191 I N -9.291 111.339 120.570 0.101 0.000 3.578 191 I HA 0.365 4.564 4.170 0.048 0.000 0.295 191 I C -0.466 175.672 176.117 0.035 0.000 1.280 191 I CA -0.138 61.193 61.300 0.050 0.000 1.347 191 I CB -0.547 37.470 38.000 0.029 0.000 1.051 191 I HN -0.400 7.894 8.210 0.141 0.000 0.460 192 G N -1.029 107.786 108.800 0.025 0.000 2.583 192 G HA2 0.227 4.352 3.960 0.017 0.000 0.280 192 G HA3 0.227 4.354 3.960 0.007 -0.163 0.280 192 G C 0.000 174.910 174.900 0.016 0.000 1.376 192 G CA -1.448 43.659 45.100 0.012 0.000 1.043 192 G HN -0.663 7.465 8.290 0.044 0.188 0.538 193 S N 1.172 116.904 115.700 0.054 0.000 2.374 193 S HA -0.335 4.444 4.470 0.118 -0.238 0.227 193 S C 1.424 176.077 174.600 0.089 0.000 1.037 193 S CA 2.840 61.099 58.200 0.100 0.000 1.024 193 S CB 0.016 63.293 63.200 0.128 0.000 0.861 193 S HN 0.089 8.601 8.310 0.075 -0.157 0.456 194 E N -1.696 118.417 120.200 -0.145 0.000 2.171 194 E HA -0.229 3.924 4.350 -0.328 0.000 0.197 194 E C 0.961 177.013 176.600 -0.913 0.000 0.997 194 E CA 2.606 58.648 56.400 -0.597 0.000 0.810 194 E CB 0.331 29.283 29.700 -1.248 0.000 0.738 194 E HN -0.385 8.188 8.360 -0.094 -0.270 0.467 195 G N -2.506 105.960 108.800 -0.555 0.000 2.710 195 G HA2 0.290 3.815 3.960 -0.724 0.000 0.198 195 G HA3 0.290 4.093 3.960 -0.262 0.000 0.198 195 G C -1.949 173.103 174.900 0.253 0.000 1.797 195 G CA -0.062 44.827 45.100 -0.352 0.000 0.759 195 G HN -0.477 7.481 8.290 -0.307 0.147 0.808 196 A N 2.800 125.795 122.820 0.292 0.000 2.320 196 A HA 0.603 5.158 4.320 0.391 0.000 0.287 196 A C 0.399 178.074 177.584 0.152 0.000 1.181 196 A CA -1.587 50.607 52.037 0.262 0.000 0.831 196 A CB 0.948 20.029 19.000 0.135 0.000 1.102 196 A HN 0.021 8.288 8.150 0.194 0.000 0.513 197 G N 3.254 112.143 108.800 0.148 0.000 3.003 197 G HA2 -0.075 3.938 3.960 0.088 0.000 0.266 197 G HA3 -0.075 3.937 3.960 0.086 0.000 0.266 197 G C -0.644 174.291 174.900 0.060 0.000 0.755 197 G CA 0.372 45.527 45.100 0.093 0.000 2.061 197 G HN 0.741 9.142 8.290 0.186 0.000 0.599 198 I N 2.520 123.121 120.570 0.051 0.000 2.333 198 I HA -0.158 4.029 4.170 0.027 0.000 0.246 198 I C 0.292 176.425 176.117 0.026 0.000 1.106 198 I CA 2.054 63.373 61.300 0.031 0.000 1.411 198 I CB 0.815 38.829 38.000 0.024 0.000 1.082 198 I HN 0.289 8.461 8.210 0.059 0.073 0.420 199 V N -1.149 118.782 119.914 0.028 0.000 2.588 199 V HA 0.397 4.531 4.120 0.023 0.000 0.304 199 V C -2.208 173.909 176.094 0.039 0.000 1.042 199 V CA -3.079 59.235 62.300 0.023 0.000 0.877 199 V CB 2.423 34.247 31.823 0.002 0.000 0.996 199 V HN -0.152 8.058 8.190 0.033 0.000 0.425 200 P HA 0.195 4.652 4.420 0.063 0.000 0.272 200 P C 0.478 177.832 177.300 0.089 0.000 1.223 200 P CA -0.856 62.285 63.100 0.067 0.000 0.784 200 P CB 0.984 32.725 31.700 0.069 0.000 0.923 201 L N 3.331 124.620 121.223 0.111 0.000 2.103 201 L HA -0.416 4.027 4.340 0.172 0.000 0.215 201 L C 1.101 178.089 176.870 0.197 0.000 1.080 201 L CA 3.453 58.391 54.840 0.164 0.000 0.764 201 L CB -0.112 42.051 42.059 0.173 0.000 0.890 201 L HN 0.160 8.447 8.230 0.095 0.000 0.435 202 N N -2.483 116.330 118.700 0.188 0.000 2.037 202 N HA -0.395 4.521 4.740 0.294 0.000 0.196 202 N C 2.090 177.770 175.510 0.283 0.000 1.034 202 N CA 3.245 56.447 53.050 0.253 0.000 0.861 202 N CB -0.073 38.537 38.487 0.205 0.000 1.039 202 N HN 0.087 8.549 8.380 0.152 0.009 0.427 203 I N -0.838 119.823 120.570 0.152 0.000 2.333 203 I HA -0.329 3.848 4.170 0.012 0.000 0.246 203 I C 1.320 177.416 176.117 -0.034 0.000 1.106 203 I CA 2.212 63.535 61.300 0.038 0.000 1.411 203 I CB -1.025 36.981 38.000 0.009 0.000 1.082 203 I HN -0.202 7.987 8.210 0.126 0.096 0.420 204 E N 1.245 121.446 120.200 0.001 0.000 2.086 204 E HA -0.466 3.741 4.350 -0.238 0.000 0.200 204 E C 2.250 178.873 176.600 0.038 0.000 1.012 204 E CA 4.212 60.579 56.400 -0.055 0.000 0.812 204 E CB -0.130 29.606 29.700 0.059 0.000 0.743 204 E HN 0.058 8.449 8.360 0.051 0.000 0.453 205 T N 1.131 115.795 114.554 0.184 0.000 2.684 205 T HA -0.357 4.167 4.350 0.290 0.000 0.267 205 T C 1.682 176.451 174.700 0.116 0.000 1.036 205 T CA 5.148 67.383 62.100 0.226 0.000 1.148 205 T CB -0.422 68.601 68.868 0.258 0.000 0.863 205 T HN 0.406 8.654 8.240 0.200 0.112 0.436 206 L N 1.520 122.673 121.223 -0.116 0.000 1.994 206 L HA -0.370 3.572 4.340 -0.663 0.000 0.208 206 L C 1.120 177.790 176.870 -0.333 0.000 1.071 206 L CA 3.095 57.591 54.840 -0.574 0.000 0.745 206 L CB -0.807 40.615 42.059 -1.062 0.000 0.892 206 L HN -0.758 7.376 8.230 -0.021 0.083 0.431 207 L N -1.442 119.622 121.223 -0.264 0.000 1.971 207 L HA -0.551 3.640 4.340 -0.247 0.000 0.215 207 L C 2.196 178.972 176.870 -0.156 0.000 1.072 207 L CA 3.491 58.177 54.840 -0.256 0.000 0.758 207 L CB -0.506 41.352 42.059 -0.335 0.000 0.889 207 L HN 0.302 8.385 8.230 -0.245 0.000 0.433 208 F N -3.327 116.584 119.950 -0.064 0.000 2.120 208 F HA -0.386 4.057 4.527 -0.141 0.000 0.300 208 F C 2.174 178.024 175.800 0.085 0.000 1.095 208 F CA 2.977 60.988 58.000 0.017 0.000 1.249 208 F CB -1.200 37.922 39.000 0.203 0.000 0.995 208 F HN -0.035 8.188 8.300 -0.129 0.000 0.480 209 M N 0.647 120.407 119.600 0.267 0.000 2.073 209 M HA -0.393 4.200 4.480 0.188 0.000 0.258 209 M C 2.271 178.568 176.300 -0.004 0.000 1.070 209 M CA 3.061 58.447 55.300 0.142 0.000 1.103 209 M CB -0.798 31.880 32.600 0.130 0.000 1.321 209 M HN 0.067 8.493 8.290 0.227 0.000 0.405 210 V N -0.440 119.433 119.914 -0.069 0.000 2.295 210 V HA -0.506 3.560 4.120 -0.089 0.000 0.246 210 V C 2.311 178.380 176.094 -0.042 0.000 1.049 210 V CA 4.942 67.188 62.300 -0.090 0.000 1.024 210 V CB -0.709 31.026 31.823 -0.146 0.000 0.648 210 V HN 0.031 8.158 8.190 -0.105 0.000 0.447 211 L N -0.108 121.087 121.223 -0.047 0.000 1.989 211 L HA -0.473 3.850 4.340 -0.028 0.000 0.211 211 L C 2.079 179.018 176.870 0.114 0.000 1.071 211 L CA 3.772 58.585 54.840 -0.044 0.000 0.749 211 L CB -1.371 40.501 42.059 -0.311 0.000 0.890 211 L HN 0.257 8.445 8.230 -0.070 0.000 0.431 212 D N -0.252 120.269 120.400 0.202 0.000 2.103 212 D HA -0.242 4.630 4.640 0.386 0.000 0.190 212 D C 2.938 179.309 176.300 0.118 0.000 0.997 212 D CA 3.159 57.318 54.000 0.265 0.000 0.833 212 D CB -0.297 40.678 40.800 0.291 0.000 0.961 212 D HN 0.178 8.551 8.370 0.191 0.112 0.447 213 V N -1.094 118.831 119.914 0.017 0.000 2.287 213 V HA -0.521 3.594 4.120 -0.008 0.000 0.248 213 V C 2.275 178.404 176.094 0.057 0.000 1.053 213 V CA 3.840 66.138 62.300 -0.004 0.000 1.027 213 V CB -0.746 31.041 31.823 -0.061 0.000 0.646 213 V HN -0.140 8.041 8.190 -0.014 0.000 0.447 214 S N 1.190 116.927 115.700 0.061 0.000 2.353 214 S HA -0.384 4.132 4.470 0.078 0.000 0.222 214 S C 1.820 176.517 174.600 0.162 0.000 1.035 214 S CA 4.192 62.447 58.200 0.090 0.000 1.025 214 S CB -0.474 62.764 63.200 0.063 0.000 0.902 214 S HN -0.156 8.177 8.310 0.039 0.000 0.440 215 A N -3.880 119.044 122.820 0.174 0.000 2.239 215 A HA -0.220 4.227 4.320 0.212 0.000 0.209 215 A C -0.090 177.556 177.584 0.104 0.000 1.171 215 A CA 1.586 53.727 52.037 0.173 0.000 0.768 215 A CB -0.514 18.606 19.000 0.199 0.000 0.790 215 A HN 0.189 8.330 8.150 0.163 0.107 0.478 216 K N -4.358 116.153 120.400 0.185 0.000 2.642 216 K HA 0.114 4.543 4.320 0.181 0.000 0.214 216 K C 1.143 177.961 176.600 0.363 0.000 1.451 216 K CA 1.146 57.566 56.287 0.222 0.000 0.917 216 K CB 1.401 33.998 32.500 0.161 0.000 1.779 216 K HN -0.678 7.484 8.250 0.178 0.195 0.447 217 V N 1.319 121.384 119.914 0.252 0.000 2.270 217 V HA -0.379 3.971 4.120 0.383 0.000 0.245 217 V C 1.844 178.104 176.094 0.276 0.000 1.043 217 V CA 4.651 67.092 62.300 0.236 0.000 1.014 217 V CB -0.114 31.713 31.823 0.007 0.000 0.645 217 V HN 0.103 8.390 8.190 0.162 0.000 0.447 218 G N -0.706 108.206 108.800 0.187 0.000 2.480 218 G HA2 -0.418 3.602 3.960 0.100 0.000 0.216 218 G HA3 -0.418 3.689 3.960 0.125 -0.073 0.216 218 G C 1.000 176.014 174.900 0.191 0.000 1.200 218 G CA 2.169 47.360 45.100 0.151 0.000 0.782 218 G HN -0.455 7.927 8.290 0.153 0.000 0.554 219 F N 2.953 122.954 119.950 0.084 0.000 2.045 219 F HA -0.515 4.029 4.527 0.029 0.000 0.297 219 F C 1.634 177.465 175.800 0.052 0.000 1.114 219 F CA 3.169 61.208 58.000 0.065 0.000 1.207 219 F CB -0.019 39.038 39.000 0.095 0.000 0.964 219 F HN 0.135 8.665 8.300 0.383 0.000 0.486 220 G N -2.198 106.779 108.800 0.296 0.000 2.442 220 G HA2 -0.407 3.462 3.960 -0.152 0.000 0.219 220 G HA3 -0.407 3.675 3.960 0.203 0.000 0.219 220 G C 0.948 175.788 174.900 -0.101 0.000 1.141 220 G CA 2.084 47.211 45.100 0.043 0.000 0.763 220 G HN 0.084 8.603 8.290 0.571 0.114 0.554 221 L N 1.104 122.423 121.223 0.160 0.000 2.201 221 L HA -0.324 4.093 4.340 0.128 0.000 0.212 221 L C 2.127 178.974 176.870 -0.040 0.000 1.105 221 L CA 2.442 57.347 54.840 0.108 0.000 0.775 221 L CB -0.332 41.811 42.059 0.139 0.000 0.913 221 L HN 0.056 8.460 8.230 0.290 0.000 0.440 222 I N -0.378 120.128 120.570 -0.107 0.000 2.113 222 I HA -0.517 3.582 4.170 -0.118 0.000 0.238 222 I C 2.571 178.544 176.117 -0.240 0.000 1.070 222 I CA 3.901 65.099 61.300 -0.170 0.000 1.332 222 I CB -0.232 37.642 38.000 -0.210 0.000 1.044 222 I HN -0.577 7.478 8.210 -0.094 0.099 0.402 223 L N 0.133 121.138 121.223 -0.363 0.000 1.955 223 L HA -0.269 3.840 4.340 -0.386 0.000 0.213 223 L C 1.696 178.356 176.870 -0.350 0.000 1.072 223 L CA 3.432 58.027 54.840 -0.408 0.000 0.755 223 L CB 0.163 41.908 42.059 -0.523 0.000 0.888 223 L HN -0.557 7.412 8.230 -0.435 0.000 0.432 224 L N -5.700 115.285 121.223 -0.397 0.000 2.675 224 L HA -0.229 3.825 4.340 -0.476 0.000 0.238 224 L C 0.814 177.532 176.870 -0.254 0.000 1.155 224 L CA 1.317 55.878 54.840 -0.465 0.000 0.881 224 L CB -1.335 40.263 42.059 -0.769 0.000 1.008 224 L HN 0.229 8.203 8.230 -0.428 0.000 0.443 225 R N -3.344 117.063 120.500 -0.154 0.000 2.437 225 R HA 0.096 4.419 4.340 -0.028 0.000 0.257 225 R C -0.086 176.174 176.300 -0.067 0.000 0.927 225 R CA 0.388 56.450 56.100 -0.063 0.000 1.078 225 R CB 1.208 31.497 30.300 -0.019 0.000 1.161 225 R HN -0.552 7.495 8.270 -0.188 0.111 0.529 226 S N -1.226 114.408 115.700 -0.110 0.000 2.767 226 S HA 0.207 4.634 4.470 -0.072 0.000 0.300 226 S C -1.458 173.088 174.600 -0.089 0.000 1.123 226 S CA -1.647 56.493 58.200 -0.100 0.000 0.992 226 S CB 1.573 64.693 63.200 -0.134 0.000 1.138 226 S HN -0.368 7.693 8.310 -0.157 0.156 0.550 227 R N 3.114 123.567 120.500 -0.077 0.000 2.387 227 R HA -0.107 4.218 4.340 -0.024 0.000 0.321 227 R C -0.780 175.461 176.300 -0.099 0.000 1.174 227 R CA 0.380 56.445 56.100 -0.059 0.000 1.002 227 R CB -0.302 29.966 30.300 -0.053 0.000 1.028 227 R HN 0.475 8.696 8.270 -0.081 0.000 0.482 228 A N 9.178 131.939 122.820 -0.099 0.000 2.990 228 A HA -0.023 4.040 4.320 -0.427 0.000 0.282 228 A C -0.870 176.706 177.584 -0.013 0.000 1.688 228 A CA -1.004 50.894 52.037 -0.233 0.000 1.391 228 A CB -0.754 18.107 19.000 -0.231 0.000 1.112 228 A HN 0.491 8.621 8.150 -0.033 0.000 0.588 229 I N 2.703 123.265 120.570 -0.014 0.000 6.313 229 I HA -0.443 3.758 4.170 0.051 0.000 0.126 229 I C -0.164 176.108 176.117 0.258 0.000 1.413 229 I CA 0.863 62.232 61.300 0.114 0.000 2.511 229 I CB -1.677 36.414 38.000 0.151 0.000 2.664 229 I HN -0.138 7.958 8.210 -0.099 0.054 0.292 230 F N 5.449 125.422 119.950 0.037 0.000 2.555 230 F HA -0.508 4.030 4.527 0.020 0.000 0.693 230 F C -0.831 174.995 175.800 0.043 0.000 0.487 230 F CA 3.328 61.349 58.000 0.036 0.000 0.748 230 F CB -0.728 38.293 39.000 0.034 0.000 1.624 230 F HN 0.945 9.289 8.300 0.074 0.000 0.266 231 G N -1.693 107.302 108.800 0.324 0.000 2.667 231 G HA2 -0.106 3.964 3.960 0.214 0.000 0.250 231 G HA3 -0.106 4.134 3.960 0.233 -0.141 0.250 231 G C -2.078 172.916 174.900 0.157 0.000 1.212 231 G CA 0.150 45.385 45.100 0.226 0.000 0.874 231 G HN -0.391 8.024 8.290 0.333 0.076 0.561 232 E N 0.000 120.287 120.200 0.146 0.000 2.725 232 E HA 0.000 4.439 4.350 0.149 0.000 0.291 232 E CA 0.000 56.480 56.400 0.133 0.000 0.976 232 E CB 0.000 29.747 29.700 0.077 0.000 0.812 232 E HN 0.000 8.448 8.360 0.146 0.000 0.440