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 2f2d_1_A DATA FIRST_RESID 33 DATA SEQUENCE MREWLDILGN GLLRKKTLVP GPPGSSRPVK GQVVTVHLQT SLENGTRVQE DATA SEQUENCE EPELVFTLGD CDVIQALDLS VPLMDVGETA MVTADSKYCY GPQGRSPYIP DATA SEQUENCE PHAALCLEVT LKTAVDGPDL E 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 33 M HA 0.000 4.500 4.480 0.034 0.000 0.227 33 M C 0.000 176.322 176.300 0.037 0.000 1.140 33 M CA 0.000 55.316 55.300 0.026 0.000 0.988 33 M CB 0.000 32.607 32.600 0.012 0.000 1.302 34 R N 0.589 121.118 120.500 0.048 0.000 3.144 34 R HA -0.215 4.154 4.340 0.049 0.000 0.255 34 R C -1.228 175.121 176.300 0.081 0.000 0.949 34 R CA 0.135 56.266 56.100 0.051 0.000 0.649 34 R CB -1.354 28.966 30.300 0.032 0.000 1.229 34 R HN 0.594 8.893 8.270 0.048 0.000 0.440 35 E N -1.912 118.365 120.200 0.129 0.000 8.077 35 E HA -0.269 4.250 4.350 0.282 0.000 0.162 35 E C -1.235 175.562 176.600 0.329 0.000 1.458 35 E CA 0.585 57.113 56.400 0.213 0.000 2.527 35 E CB 0.040 29.807 29.700 0.113 0.000 1.500 35 E HN -0.197 8.234 8.360 0.119 0.000 0.455 36 W N -0.634 120.657 121.300 -0.016 0.000 2.497 36 W HA 0.150 4.801 4.660 -0.015 0.000 0.359 36 W C -0.571 175.937 176.519 -0.019 0.000 1.131 36 W CA -1.644 55.690 57.345 -0.018 0.000 1.280 36 W CB 0.664 30.111 29.460 -0.022 0.000 1.319 36 W HN -0.020 8.377 8.180 0.361 0.000 0.626 37 L N 2.369 123.681 121.223 0.149 0.000 2.407 37 L HA 0.129 4.507 4.340 0.063 0.000 0.282 37 L C -1.948 174.979 176.870 0.095 0.000 1.110 37 L CA 0.361 55.247 54.840 0.077 0.000 0.863 37 L CB -0.030 42.038 42.059 0.015 0.000 1.207 37 L HN 0.344 8.628 8.230 0.091 0.000 0.454 38 D N 5.267 125.710 120.400 0.072 0.000 2.256 38 D HA 0.200 5.006 4.640 0.057 -0.132 0.240 38 D C 0.068 176.384 176.300 0.026 0.000 1.062 38 D CA -0.325 53.704 54.000 0.048 0.000 0.832 38 D CB 2.506 43.327 40.800 0.034 0.000 1.135 38 D HN -0.194 8.214 8.370 0.064 0.000 0.484 39 I N 5.847 126.427 120.570 0.016 0.000 2.429 39 I HA -0.088 4.094 4.170 0.021 0.000 0.247 39 I C 0.982 177.105 176.117 0.011 0.000 1.099 39 I CA 1.148 62.458 61.300 0.017 0.000 1.422 39 I CB 0.605 38.619 38.000 0.024 0.000 1.112 39 I HN -0.050 8.168 8.210 0.013 0.000 0.430 40 L N -1.724 119.493 121.223 -0.010 0.000 1.950 40 L HA -0.209 4.147 4.340 0.026 0.000 0.210 40 L C 0.788 177.659 176.870 0.002 0.000 1.079 40 L CA 2.063 56.900 54.840 -0.004 0.000 0.754 40 L CB 0.754 42.780 42.059 -0.056 0.000 0.889 40 L HN -0.389 7.822 8.230 -0.032 0.000 0.433 41 G N -3.432 105.360 108.800 -0.013 0.000 3.468 41 G HA2 -0.136 3.825 3.960 0.003 0.000 0.116 41 G HA3 -0.136 3.824 3.960 0.001 0.000 0.116 41 G C -0.938 173.955 174.900 -0.012 0.000 1.119 41 G CA 0.200 45.297 45.100 -0.004 0.000 1.377 41 G HN -0.529 7.894 8.290 -0.033 -0.153 0.601 42 N N 0.411 119.098 118.700 -0.020 0.000 2.109 42 N HA -0.071 4.659 4.740 -0.017 0.000 0.188 42 N C -0.029 175.454 175.510 -0.044 0.000 1.034 42 N CA 0.870 53.904 53.050 -0.026 0.000 0.846 42 N CB 0.157 38.631 38.487 -0.023 0.000 1.010 42 N HN 0.152 8.521 8.380 -0.019 0.000 0.425 43 G N -3.183 105.574 108.800 -0.071 0.000 3.206 43 G HA2 0.068 4.109 3.960 -0.081 0.000 0.146 43 G HA3 0.068 3.964 3.960 -0.107 0.000 0.146 43 G C -1.383 173.421 174.900 -0.159 0.000 1.214 43 G CA -0.583 44.457 45.100 -0.101 0.000 1.297 43 G HN -0.644 7.602 8.290 -0.074 0.000 0.659 44 L N -2.798 118.302 121.223 -0.204 0.000 3.782 44 L HA -0.408 3.769 4.340 -0.272 0.000 0.053 44 L C -0.473 176.184 176.870 -0.356 0.000 4.256 44 L CA 2.246 56.883 54.840 -0.338 0.000 0.725 44 L CB -0.790 40.960 42.059 -0.515 0.000 3.466 44 L HN 0.046 8.175 8.230 -0.168 0.000 0.901 45 L N 1.535 122.540 121.223 -0.363 0.000 2.334 45 L HA 0.151 4.388 4.340 -0.173 0.000 0.286 45 L C -1.562 175.263 176.870 -0.075 0.000 1.108 45 L CA -0.377 54.345 54.840 -0.198 0.000 0.875 45 L CB -0.507 41.452 42.059 -0.166 0.000 1.246 45 L HN -0.487 7.481 8.230 -0.375 0.037 0.439 46 R N 6.717 127.202 120.500 -0.026 0.000 2.346 46 R HA 0.242 4.647 4.340 0.109 0.000 0.309 46 R C -1.632 174.829 176.300 0.267 0.000 1.119 46 R CA -1.150 55.013 56.100 0.105 0.000 1.112 46 R CB 0.226 30.528 30.300 0.004 0.000 1.132 46 R HN -0.222 8.011 8.270 -0.061 0.000 0.538 47 K N 5.693 126.203 120.400 0.184 0.000 2.257 47 K HA 0.217 4.818 4.320 0.180 -0.173 0.270 47 K C -0.960 175.691 176.600 0.085 0.000 1.098 47 K CA -1.111 55.263 56.287 0.145 0.000 0.943 47 K CB 0.849 33.392 32.500 0.071 0.000 1.316 47 K HN -0.256 8.069 8.250 0.124 0.000 0.447 48 K N 9.025 129.422 120.400 -0.005 0.000 2.278 48 K HA -0.056 4.145 4.320 -0.198 0.000 0.289 48 K C -0.970 175.501 176.600 -0.215 0.000 1.080 48 K CA -0.045 56.066 56.287 -0.292 0.000 0.934 48 K CB 0.185 32.084 32.500 -1.001 0.000 1.093 48 K HN -0.168 8.150 8.250 0.112 0.000 0.459 49 T N 9.031 123.507 114.554 -0.129 0.000 2.776 49 T HA 0.007 4.309 4.350 -0.081 0.000 0.292 49 T C -0.437 174.197 174.700 -0.111 0.000 0.921 49 T CA 0.994 63.040 62.100 -0.091 0.000 1.038 49 T CB -0.061 68.778 68.868 -0.048 0.000 0.910 49 T HN 0.246 8.424 8.240 -0.103 0.000 0.536 50 L N 7.534 128.684 121.223 -0.121 0.000 2.056 50 L HA 0.110 4.372 4.340 -0.131 0.000 0.202 50 L C -0.571 176.253 176.870 -0.077 0.000 1.086 50 L CA 1.473 56.243 54.840 -0.117 0.000 0.758 50 L CB 0.685 42.664 42.059 -0.133 0.000 0.912 50 L HN 0.328 8.487 8.230 -0.119 0.000 0.446 51 V N 0.217 120.093 119.914 -0.062 0.000 2.488 51 V HA 0.225 4.320 4.120 -0.042 0.000 0.277 51 V C -0.926 175.146 176.094 -0.037 0.000 1.046 51 V CA -2.177 60.096 62.300 -0.044 0.000 0.986 51 V CB -0.582 31.219 31.823 -0.037 0.000 0.989 51 V HN -0.561 7.588 8.190 -0.067 0.000 0.475 52 P HA 0.043 4.448 4.420 -0.025 0.000 0.214 52 P C -1.015 176.277 177.300 -0.014 0.000 1.167 52 P CA 0.828 63.915 63.100 -0.023 0.000 0.882 52 P CB 0.785 32.472 31.700 -0.021 0.000 0.777 53 G N -3.645 105.148 108.800 -0.012 0.000 2.789 53 G HA2 -0.065 4.028 3.960 -0.006 0.000 0.353 53 G HA3 -0.065 3.898 3.960 -0.005 -0.007 0.353 53 G C -2.714 172.181 174.900 -0.008 0.000 1.220 53 G CA -1.062 44.034 45.100 -0.007 0.000 1.204 53 G HN -0.340 7.941 8.290 -0.015 0.000 0.574 54 P HA 0.305 4.720 4.420 -0.008 0.000 0.272 54 P C -1.952 175.345 177.300 -0.006 0.000 1.240 54 P CA -1.941 61.155 63.100 -0.007 0.000 0.791 54 P CB -0.436 31.260 31.700 -0.006 0.000 0.978 55 P HA -0.188 4.229 4.420 -0.005 0.000 0.271 55 P C 1.004 178.301 177.300 -0.005 0.000 1.220 55 P CA 0.032 63.128 63.100 -0.005 0.000 0.768 55 P CB 0.045 31.742 31.700 -0.005 0.000 0.848 56 G N 6.416 115.213 108.800 -0.004 0.000 3.349 56 G HA2 -0.235 3.723 3.960 -0.004 0.000 0.202 56 G HA3 -0.235 3.723 3.960 -0.004 0.000 0.202 56 G C -0.634 174.263 174.900 -0.005 0.000 1.588 56 G CA -0.099 44.999 45.100 -0.004 0.000 1.198 56 G HN 0.290 8.577 8.290 -0.005 0.000 0.588 57 S N 5.124 120.821 115.700 -0.004 0.000 2.701 57 S HA 0.057 4.524 4.470 -0.005 0.000 0.317 57 S C -1.059 173.539 174.600 -0.005 0.000 1.149 57 S CA -0.021 58.176 58.200 -0.004 0.000 1.052 57 S CB 0.029 63.227 63.200 -0.003 0.000 1.257 57 S HN -0.144 8.164 8.310 -0.004 0.000 0.532 58 S N 5.282 120.979 115.700 -0.005 0.000 2.671 58 S HA 0.202 4.766 4.470 -0.004 -0.096 0.299 58 S C -0.853 173.744 174.600 -0.005 0.000 1.116 58 S CA -0.910 57.287 58.200 -0.005 0.000 0.912 58 S CB 3.363 66.561 63.200 -0.004 0.000 1.130 58 S HN -0.525 7.782 8.310 -0.006 0.000 0.501 59 R N 1.654 122.152 120.500 -0.003 0.000 2.537 59 R HA -0.093 4.421 4.340 -0.002 -0.175 0.281 59 R C -1.134 175.162 176.300 -0.007 0.000 0.988 59 R CA -0.847 55.251 56.100 -0.002 0.000 1.077 59 R CB -1.111 29.190 30.300 0.002 0.000 0.932 59 R HN 0.182 8.895 8.270 -0.002 -0.445 0.409 60 P HA 0.051 4.460 4.420 -0.018 0.000 0.284 60 P C -1.529 175.762 177.300 -0.015 0.000 1.253 60 P CA -0.972 62.116 63.100 -0.019 0.000 0.800 60 P CB 1.077 32.756 31.700 -0.035 0.000 0.961 61 V N 1.907 121.812 119.914 -0.015 0.000 2.953 61 V HA 0.016 4.133 4.120 -0.006 0.000 0.304 61 V C 0.420 176.505 176.094 -0.015 0.000 1.073 61 V CA -1.203 61.091 62.300 -0.010 0.000 1.064 61 V CB 1.320 33.139 31.823 -0.008 0.000 1.047 61 V HN -0.068 8.207 8.190 -0.017 -0.096 0.478 62 K N 4.722 125.117 120.400 -0.009 0.000 2.095 62 K HA -0.171 4.141 4.320 -0.014 0.000 0.258 62 K C -0.662 175.930 176.600 -0.013 0.000 1.120 62 K CA 0.616 56.898 56.287 -0.009 0.000 1.026 62 K CB -1.290 31.212 32.500 0.003 0.000 1.256 62 K HN 0.409 8.657 8.250 -0.004 0.000 0.360 63 G N 5.282 114.067 108.800 -0.025 0.000 3.487 63 G HA2 0.019 3.965 3.960 -0.024 0.000 0.235 63 G HA3 0.019 3.968 3.960 -0.019 0.000 0.235 63 G C -2.235 172.641 174.900 -0.040 0.000 3.868 63 G CA 0.277 45.361 45.100 -0.027 0.000 0.522 63 G HN -0.093 8.175 8.290 -0.035 0.000 0.295 64 Q N -0.465 119.296 119.800 -0.064 0.000 2.353 64 Q HA 0.302 4.606 4.340 -0.061 0.000 0.275 64 Q C -1.405 174.519 176.000 -0.127 0.000 1.029 64 Q CA -0.717 55.038 55.803 -0.079 0.000 0.848 64 Q CB 4.618 33.310 28.738 -0.076 0.000 1.390 64 Q HN -0.394 7.832 8.270 -0.073 0.000 0.401 65 V N 4.738 124.584 119.914 -0.113 0.000 2.326 65 V HA -0.018 4.124 4.120 -0.178 -0.129 0.249 65 V C -0.785 175.198 176.094 -0.185 0.000 1.114 65 V CA 0.329 62.544 62.300 -0.142 0.000 1.028 65 V CB -0.655 31.122 31.823 -0.076 0.000 1.170 65 V HN 0.132 8.273 8.190 -0.081 0.000 0.494 66 V N 3.249 122.955 119.914 -0.345 0.000 2.539 66 V HA 0.577 4.582 4.120 -0.190 0.000 0.292 66 V C -1.029 174.872 176.094 -0.323 0.000 1.045 66 V CA -2.493 59.599 62.300 -0.347 0.000 0.945 66 V CB 1.617 33.198 31.823 -0.404 0.000 0.993 66 V HN 0.032 7.944 8.190 -0.463 0.000 0.464 67 T N 6.896 121.398 114.554 -0.086 0.000 2.812 67 T HA 0.559 5.155 4.350 0.120 -0.174 0.282 67 T C -1.101 173.678 174.700 0.132 0.000 0.990 67 T CA -0.773 61.361 62.100 0.057 0.000 0.960 67 T CB 1.650 70.539 68.868 0.034 0.000 0.948 67 T HN 0.124 8.319 8.240 -0.076 0.000 0.438 68 V N 0.926 120.977 119.914 0.229 0.000 2.914 68 V HA 0.562 4.904 4.120 0.171 -0.119 0.314 68 V C -2.550 173.671 176.094 0.211 0.000 1.084 68 V CA -3.137 59.293 62.300 0.216 0.000 0.963 68 V CB 3.120 35.096 31.823 0.255 0.000 1.025 68 V HN 0.569 8.928 8.190 0.282 0.000 0.432 69 H N 5.226 124.340 119.070 0.072 0.000 2.690 69 H HA 0.288 5.058 4.556 0.048 -0.186 0.289 69 H C -1.701 173.658 175.328 0.051 0.000 1.089 69 H CA -2.473 53.606 56.048 0.051 0.000 1.299 69 H CB 0.724 30.508 29.762 0.037 0.000 1.405 69 H HN 0.260 8.671 8.280 0.219 0.000 0.463 70 L N 9.640 131.033 121.223 0.283 0.000 2.295 70 L HA 0.592 5.208 4.340 0.131 -0.198 0.281 70 L C -2.322 174.667 176.870 0.198 0.000 1.018 70 L CA -2.054 52.894 54.840 0.180 0.000 0.841 70 L CB 2.062 44.196 42.059 0.124 0.000 1.218 70 L HN 0.112 8.489 8.230 0.244 0.000 0.424 71 Q N 6.198 126.100 119.800 0.170 0.000 2.314 71 Q HA 0.409 4.824 4.340 0.126 0.000 0.259 71 Q C -0.903 175.155 176.000 0.097 0.000 0.951 71 Q CA -2.020 53.864 55.803 0.134 0.000 0.909 71 Q CB 1.210 30.040 28.738 0.153 0.000 1.236 71 Q HN -0.095 8.240 8.270 0.108 0.000 0.444 72 T N 9.876 124.480 114.554 0.084 0.000 2.771 72 T HA 0.206 4.638 4.350 0.137 0.000 0.291 72 T C -0.385 174.361 174.700 0.076 0.000 0.954 72 T CA 0.899 63.059 62.100 0.101 0.000 1.045 72 T CB 0.664 69.582 68.868 0.084 0.000 0.917 72 T HN -0.107 8.167 8.240 0.057 0.000 0.484 73 S N 6.428 122.180 115.700 0.086 0.000 2.638 73 S HA 0.395 5.027 4.470 0.066 -0.122 0.302 73 S C -1.777 172.870 174.600 0.078 0.000 1.096 73 S CA -1.034 57.210 58.200 0.073 0.000 0.953 73 S CB 3.009 66.248 63.200 0.065 0.000 1.107 73 S HN 0.453 8.824 8.310 0.102 0.000 0.503 74 L N 0.643 121.906 121.223 0.067 0.000 2.418 74 L HA 0.084 4.467 4.340 0.072 0.000 0.265 74 L C 1.025 177.925 176.870 0.050 0.000 1.143 74 L CA -1.142 53.736 54.840 0.062 0.000 0.809 74 L CB 1.226 43.318 42.059 0.055 0.000 1.124 74 L HN -0.112 8.047 8.230 0.062 0.108 0.456 75 E N 4.612 124.837 120.200 0.042 0.000 2.070 75 E HA -0.360 4.000 4.350 0.017 0.000 0.197 75 E C -0.593 176.020 176.600 0.020 0.000 1.004 75 E CA 2.379 58.793 56.400 0.023 0.000 0.805 75 E CB 0.258 29.967 29.700 0.015 0.000 0.744 75 E HN 0.354 8.743 8.360 0.048 0.000 0.451 76 N N -0.790 117.924 118.700 0.024 0.000 2.818 76 N HA 0.187 4.939 4.740 0.019 0.000 0.301 76 N C -1.456 174.069 175.510 0.025 0.000 1.821 76 N CA -0.399 52.664 53.050 0.020 0.000 0.930 76 N CB 0.594 39.089 38.487 0.014 0.000 1.263 76 N HN -0.040 8.358 8.380 0.029 0.000 0.487 77 G N 0.926 109.745 108.800 0.031 0.000 2.570 77 G HA2 0.151 4.127 3.960 0.028 0.000 0.072 77 G HA3 0.151 4.130 3.960 0.033 0.000 0.072 77 G C -1.842 173.081 174.900 0.037 0.000 1.030 77 G CA 0.370 45.489 45.100 0.032 0.000 1.277 77 G HN -0.480 7.830 8.290 0.034 0.000 0.559 78 T N 0.374 114.953 114.554 0.042 0.000 2.637 78 T HA 0.101 4.478 4.350 0.045 0.000 0.303 78 T C -1.028 173.702 174.700 0.051 0.000 1.288 78 T CA -1.692 60.434 62.100 0.044 0.000 1.040 78 T CB 1.297 70.188 68.868 0.038 0.000 1.644 78 T HN -0.202 8.064 8.240 0.044 0.000 0.480 79 R N 3.137 123.666 120.500 0.048 0.000 2.483 79 R HA -0.170 4.342 4.340 0.052 -0.141 0.329 79 R C -0.827 175.506 176.300 0.054 0.000 0.961 79 R CA 1.453 57.582 56.100 0.049 0.000 1.041 79 R CB -1.298 29.028 30.300 0.042 0.000 0.930 79 R HN 0.265 8.561 8.270 0.044 0.000 0.413 80 V N 4.956 124.905 119.914 0.058 0.000 2.331 80 V HA -0.071 4.126 4.120 0.130 0.000 0.242 80 V C 0.488 176.593 176.094 0.018 0.000 1.034 80 V CA 1.813 64.165 62.300 0.085 0.000 1.027 80 V CB 0.503 32.381 31.823 0.092 0.000 0.667 80 V HN 0.295 8.517 8.190 0.054 0.000 0.457 81 Q N -0.560 119.205 119.800 -0.057 0.000 2.406 81 Q HA 0.222 4.434 4.340 -0.212 0.000 0.244 81 Q C -2.272 173.673 176.000 -0.092 0.000 0.884 81 Q CA -0.148 55.557 55.803 -0.164 0.000 0.813 81 Q CB 2.141 30.717 28.738 -0.271 0.000 1.368 81 Q HN -0.768 7.493 8.270 -0.016 0.000 0.439 82 E N 6.177 126.337 120.200 -0.067 0.000 2.014 82 E HA 0.094 4.457 4.350 0.022 0.000 0.275 82 E C -1.087 175.491 176.600 -0.038 0.000 0.997 82 E CA -0.395 55.997 56.400 -0.014 0.000 0.804 82 E CB 0.094 29.801 29.700 0.012 0.000 1.090 82 E HN 0.266 8.573 8.360 -0.088 0.000 0.401 83 E N 7.680 127.865 120.200 -0.025 0.000 2.256 83 E HA 0.361 4.668 4.350 -0.072 0.000 0.243 83 E C -1.272 175.301 176.600 -0.044 0.000 0.925 83 E CA -4.268 52.102 56.400 -0.050 0.000 0.748 83 E CB 0.806 30.469 29.700 -0.062 0.000 1.206 83 E HN 0.130 8.494 8.360 0.007 0.000 0.428 84 P HA 0.059 4.271 4.420 -0.347 0.000 0.241 84 P C -1.043 176.152 177.300 -0.176 0.000 1.191 84 P CA 0.554 63.446 63.100 -0.346 0.000 0.771 84 P CB 0.378 31.712 31.700 -0.611 0.000 0.929 85 E N -0.551 119.608 120.200 -0.068 0.000 2.267 85 E HA 0.163 4.518 4.350 0.008 0.000 0.248 85 E C -1.607 175.014 176.600 0.035 0.000 0.899 85 E CA -0.784 55.610 56.400 -0.011 0.000 0.764 85 E CB 0.334 30.017 29.700 -0.027 0.000 1.227 85 E HN -0.497 7.767 8.360 -0.067 0.056 0.421 86 L N 9.281 130.557 121.223 0.090 0.000 2.401 86 L HA 0.454 4.851 4.340 0.096 0.000 0.263 86 L C -2.314 174.711 176.870 0.258 0.000 1.004 86 L CA -0.485 54.434 54.840 0.133 0.000 0.881 86 L CB 2.277 44.391 42.059 0.092 0.000 1.219 86 L HN 0.198 8.491 8.230 0.104 0.000 0.441 87 V N 7.702 127.742 119.914 0.209 0.000 2.481 87 V HA 0.457 4.835 4.120 0.193 -0.142 0.286 87 V C -1.007 175.264 176.094 0.295 0.000 1.042 87 V CA -1.465 60.955 62.300 0.200 0.000 0.928 87 V CB 1.106 32.979 31.823 0.083 0.000 0.986 87 V HN 0.239 8.513 8.190 0.139 0.000 0.462 88 F N 3.273 123.234 119.950 0.018 0.000 2.703 88 F HA 0.377 4.913 4.527 0.015 0.000 0.308 88 F C -2.149 173.660 175.800 0.015 0.000 1.126 88 F CA -1.395 56.616 58.000 0.018 0.000 0.959 88 F CB 2.163 41.177 39.000 0.023 0.000 1.297 88 F HN 0.158 8.437 8.300 -0.035 0.000 0.441 89 T N 2.732 117.289 114.554 0.003 0.000 2.884 89 T HA -0.069 4.318 4.350 -0.148 -0.126 0.298 89 T C -0.407 174.237 174.700 -0.093 0.000 0.998 89 T CA 1.274 63.328 62.100 -0.076 0.000 1.124 89 T CB 0.543 69.416 68.868 0.009 0.000 0.931 89 T HN 0.054 8.391 8.240 0.163 0.000 0.531 90 L N 6.113 127.239 121.223 -0.162 0.000 2.433 90 L HA -0.232 4.039 4.340 -0.115 0.000 0.275 90 L C -0.310 176.570 176.870 0.017 0.000 1.128 90 L CA 0.151 54.933 54.840 -0.097 0.000 0.875 90 L CB 0.363 42.353 42.059 -0.115 0.000 1.171 90 L HN -0.121 8.007 8.230 -0.169 0.000 0.463 91 G N 4.374 113.228 108.800 0.090 0.000 2.531 91 G HA2 -0.369 3.779 3.960 0.092 0.000 0.283 91 G HA3 -0.369 3.622 3.960 0.051 0.000 0.283 91 G C -1.323 173.621 174.900 0.074 0.000 1.068 91 G CA 0.076 45.223 45.100 0.078 0.000 1.273 91 G HN 0.272 8.658 8.290 0.159 0.000 0.532 92 D N 1.075 121.537 120.400 0.102 0.000 2.717 92 D HA 0.102 4.777 4.640 0.058 0.000 0.223 92 D C -0.681 175.666 176.300 0.078 0.000 1.240 92 D CA -0.394 53.658 54.000 0.086 0.000 0.801 92 D CB 3.333 44.193 40.800 0.100 0.000 1.556 92 D HN -0.289 8.428 8.370 0.133 -0.267 0.462 93 C N 4.837 124.167 119.300 0.050 0.000 2.485 93 C HA 0.050 4.524 4.460 0.023 0.000 0.408 93 C C -0.520 174.490 174.990 0.033 0.000 1.034 93 C CA 1.113 60.149 59.018 0.031 0.000 1.267 93 C CB -2.477 25.273 27.740 0.018 0.000 1.703 93 C HN 0.587 8.844 8.230 0.044 0.000 0.530 94 D N 2.750 123.171 120.400 0.034 0.000 2.769 94 D HA 0.058 4.712 4.640 0.024 0.000 0.155 94 D C -0.192 176.093 176.300 -0.026 0.000 1.479 94 D CA 0.390 54.407 54.000 0.028 0.000 1.511 94 D CB 1.118 41.968 40.800 0.084 0.000 1.634 94 D HN 0.061 8.392 8.370 0.041 0.064 0.282 95 V N -0.922 118.940 119.914 -0.087 0.000 3.083 95 V HA 0.198 4.224 4.120 -0.157 0.000 0.306 95 V C -0.025 176.006 176.094 -0.105 0.000 1.077 95 V CA -0.960 61.230 62.300 -0.184 0.000 1.073 95 V CB 1.225 32.760 31.823 -0.481 0.000 1.081 95 V HN -0.438 7.729 8.190 -0.038 0.000 0.474 96 I N -2.806 117.693 120.570 -0.117 0.000 2.993 96 I HA -0.121 3.997 4.170 -0.087 0.000 0.286 96 I C 0.644 176.714 176.117 -0.078 0.000 1.215 96 I CA 0.270 61.501 61.300 -0.115 0.000 1.393 96 I CB 0.253 38.117 38.000 -0.227 0.000 1.371 96 I HN -0.376 7.751 8.210 -0.138 0.000 0.602 97 Q N 2.919 122.685 119.800 -0.056 0.000 2.096 97 Q HA -0.439 3.897 4.340 -0.006 0.000 0.204 97 Q C 2.245 178.308 176.000 0.105 0.000 0.982 97 Q CA 3.354 59.160 55.803 0.006 0.000 0.850 97 Q CB -0.354 28.334 28.738 -0.084 0.000 0.901 97 Q HN 0.403 8.624 8.270 -0.082 0.000 0.422 98 A N -0.255 122.617 122.820 0.088 0.000 1.917 98 A HA -0.287 4.081 4.320 0.080 0.000 0.219 98 A C 1.771 179.363 177.584 0.014 0.000 1.182 98 A CA 3.148 55.211 52.037 0.042 0.000 0.633 98 A CB -0.901 18.079 19.000 -0.034 0.000 0.819 98 A HN -0.286 7.886 8.150 0.037 0.000 0.448 99 L N -1.792 119.416 121.223 -0.026 0.000 1.961 99 L HA -0.282 4.068 4.340 0.017 0.000 0.209 99 L C 2.505 179.402 176.870 0.046 0.000 1.075 99 L CA 3.113 57.945 54.840 -0.013 0.000 0.749 99 L CB -1.073 40.914 42.059 -0.119 0.000 0.890 99 L HN -0.630 7.561 8.230 -0.065 0.000 0.433 100 D N -1.785 118.639 120.400 0.040 0.000 2.149 100 D HA -0.328 4.401 4.640 0.149 0.000 0.194 100 D C 2.613 178.964 176.300 0.085 0.000 1.001 100 D CA 3.318 57.370 54.000 0.087 0.000 0.849 100 D CB 0.189 41.025 40.800 0.059 0.000 0.939 100 D HN -0.558 7.806 8.370 -0.011 0.000 0.449 101 L N -2.618 118.650 121.223 0.076 0.000 1.994 101 L HA -0.229 4.151 4.340 0.068 0.000 0.208 101 L C 1.412 178.321 176.870 0.066 0.000 1.071 101 L CA 2.955 57.840 54.840 0.075 0.000 0.745 101 L CB 0.030 42.147 42.059 0.096 0.000 0.892 101 L HN -0.673 7.602 8.230 0.074 0.000 0.431 102 S N -2.558 113.180 115.700 0.064 0.000 2.607 102 S HA -0.160 4.340 4.470 0.050 0.000 0.224 102 S C 1.764 176.406 174.600 0.071 0.000 0.969 102 S CA 2.208 60.443 58.200 0.058 0.000 0.927 102 S CB -0.119 63.111 63.200 0.051 0.000 0.772 102 S HN -0.561 7.788 8.310 0.066 0.000 0.533 103 V N 4.430 124.402 119.914 0.096 0.000 2.307 103 V HA -0.158 4.040 4.120 0.130 0.000 0.245 103 V C -1.147 174.992 176.094 0.075 0.000 1.045 103 V CA 4.068 66.443 62.300 0.125 0.000 1.024 103 V CB -1.527 30.432 31.823 0.226 0.000 0.651 103 V HN -0.516 7.550 8.190 0.096 0.181 0.449 104 P HA -0.117 4.315 4.420 0.020 0.000 0.218 104 P C -0.214 177.100 177.300 0.025 0.000 1.148 104 P CA 1.684 64.803 63.100 0.031 0.000 0.822 104 P CB -0.031 31.686 31.700 0.029 0.000 0.784 105 L N -5.635 115.606 121.223 0.030 0.000 2.556 105 L HA 0.459 4.809 4.340 0.017 0.000 0.245 105 L C -1.940 174.945 176.870 0.026 0.000 1.174 105 L CA -1.608 53.246 54.840 0.023 0.000 1.117 105 L CB -2.081 39.991 42.059 0.021 0.000 1.409 105 L HN -0.458 7.762 8.230 0.039 0.034 0.411 106 M N -1.387 118.228 119.600 0.025 0.000 2.090 106 M HA 0.369 4.862 4.480 0.022 0.000 0.277 106 M C -1.789 174.519 176.300 0.014 0.000 0.935 106 M CA -0.901 54.414 55.300 0.026 0.000 0.966 106 M CB 2.282 34.909 32.600 0.046 0.000 1.635 106 M HN -0.788 7.459 8.290 0.021 0.055 0.446 107 D N 6.455 126.860 120.400 0.008 0.000 2.350 107 D HA 0.152 4.881 4.640 0.001 -0.088 0.249 107 D C -1.042 175.259 176.300 0.002 0.000 1.119 107 D CA 0.264 54.265 54.000 0.002 0.000 0.886 107 D CB 2.464 43.263 40.800 -0.002 0.000 1.195 107 D HN 0.168 8.542 8.370 0.007 0.000 0.437 108 V N 0.817 120.731 119.914 0.000 0.000 2.421 108 V HA -0.231 3.892 4.120 0.005 0.000 0.271 108 V C 0.491 176.586 176.094 0.002 0.000 1.031 108 V CA 1.300 63.601 62.300 0.001 0.000 1.032 108 V CB 0.066 31.887 31.823 -0.003 0.000 1.009 108 V HN 0.210 8.399 8.190 -0.002 0.000 0.477 109 G N 5.729 114.533 108.800 0.006 0.000 2.288 109 G HA2 -0.274 3.816 3.960 0.009 0.000 0.205 109 G HA3 -0.274 3.687 3.960 0.002 0.000 0.205 109 G C -1.128 173.771 174.900 -0.002 0.000 1.071 109 G CA -0.443 44.660 45.100 0.004 0.000 0.788 109 G HN 0.346 8.643 8.290 0.011 0.000 0.491 110 E N -1.685 118.515 120.200 -0.000 0.000 2.280 110 E HA 0.308 4.794 4.350 -0.016 -0.146 0.261 110 E C -1.034 175.554 176.600 -0.020 0.000 1.088 110 E CA -2.202 54.192 56.400 -0.010 0.000 0.915 110 E CB 2.306 32.003 29.700 -0.005 0.000 1.141 110 E HN -0.575 7.790 8.360 0.008 0.000 0.433 111 T N 1.836 116.369 114.554 -0.035 0.000 3.066 111 T HA 0.219 4.536 4.350 -0.054 0.000 0.318 111 T C -2.191 172.474 174.700 -0.058 0.000 0.979 111 T CA 0.240 62.309 62.100 -0.052 0.000 1.025 111 T CB 1.007 69.839 68.868 -0.061 0.000 1.002 111 T HN -0.109 8.109 8.240 -0.036 0.000 0.453 112 A N 7.276 130.067 122.820 -0.048 0.000 2.375 112 A HA 0.674 5.082 4.320 -0.085 -0.139 0.295 112 A C -2.561 175.009 177.584 -0.024 0.000 1.066 112 A CA -1.136 50.871 52.037 -0.050 0.000 0.722 112 A CB 3.472 22.456 19.000 -0.026 0.000 1.206 112 A HN 0.626 8.754 8.150 -0.037 0.000 0.435 113 M N 5.306 124.882 119.600 -0.041 0.000 2.143 113 M HA 0.135 4.648 4.480 0.057 0.000 0.348 113 M C -2.173 174.232 176.300 0.176 0.000 1.375 113 M CA 0.096 55.428 55.300 0.053 0.000 1.124 113 M CB 1.541 34.164 32.600 0.039 0.000 1.669 113 M HN -0.136 8.082 8.290 -0.119 0.000 0.469 114 V N 8.530 128.535 119.914 0.152 0.000 2.320 114 V HA 0.266 4.638 4.120 0.180 -0.144 0.265 114 V C 0.026 176.201 176.094 0.135 0.000 1.048 114 V CA -1.927 60.459 62.300 0.143 0.000 0.865 114 V CB -0.727 31.136 31.823 0.066 0.000 1.043 114 V HN 0.057 8.312 8.190 0.107 0.000 0.474 115 T N 5.553 120.202 114.554 0.158 0.000 2.855 115 T HA 0.080 4.432 4.350 0.003 0.000 0.290 115 T C -1.135 173.525 174.700 -0.066 0.000 0.941 115 T CA -1.392 60.698 62.100 -0.016 0.000 1.030 115 T CB -0.909 67.810 68.868 -0.248 0.000 0.935 115 T HN 0.155 8.570 8.240 0.291 0.000 0.564 116 A N 5.730 128.517 122.820 -0.054 0.000 2.312 116 A HA 0.391 4.774 4.320 -0.113 -0.132 0.326 116 A C -1.539 175.997 177.584 -0.080 0.000 1.172 116 A CA -2.351 49.636 52.037 -0.082 0.000 0.821 116 A CB 2.593 21.547 19.000 -0.076 0.000 1.166 116 A HN -0.370 7.764 8.150 -0.026 0.000 0.493 117 D N 2.119 122.455 120.400 -0.106 0.000 2.443 117 D HA -0.107 4.505 4.640 -0.046 0.000 0.239 117 D C 1.368 177.686 176.300 0.030 0.000 1.136 117 D CA 0.450 54.424 54.000 -0.042 0.000 0.879 117 D CB 2.047 42.802 40.800 -0.076 0.000 1.195 117 D HN -0.183 8.076 8.370 -0.184 0.000 0.443 118 S N 5.157 120.877 115.700 0.033 0.000 2.383 118 S HA -0.303 4.177 4.470 0.016 0.000 0.229 118 S C 1.404 176.014 174.600 0.017 0.000 1.030 118 S CA 2.869 61.082 58.200 0.022 0.000 1.002 118 S CB 0.010 63.220 63.200 0.016 0.000 0.829 118 S HN 0.348 8.676 8.310 0.029 0.000 0.467 119 K N -1.592 118.838 120.400 0.051 0.000 2.097 119 K HA -0.205 4.099 4.320 -0.026 0.000 0.205 119 K C 1.489 178.095 176.600 0.010 0.000 1.050 119 K CA 2.176 58.478 56.287 0.026 0.000 0.938 119 K CB -0.229 32.288 32.500 0.028 0.000 0.718 119 K HN -0.588 7.984 8.250 0.091 -0.267 0.442 120 Y N -0.825 119.435 120.300 -0.066 0.000 2.181 120 Y HA -0.171 4.546 4.550 -0.067 -0.208 0.288 120 Y C 0.553 176.374 175.900 -0.131 0.000 1.146 120 Y CA 2.440 60.491 58.100 -0.081 0.000 1.164 120 Y CB 0.212 38.628 38.460 -0.073 0.000 0.982 120 Y HN -0.598 7.913 8.280 0.385 0.000 0.515 121 C N -3.168 116.121 119.300 -0.019 0.000 2.478 121 C HA 0.018 4.271 4.460 -0.345 0.000 0.379 121 C C -0.679 174.201 174.990 -0.182 0.000 1.470 121 C CA -1.973 56.901 59.018 -0.240 0.000 2.066 121 C CB 1.869 29.451 27.740 -0.263 0.000 2.001 121 C HN -0.378 7.879 8.230 0.045 0.000 0.550 122 Y N -2.242 118.062 120.300 0.006 0.000 2.713 122 Y HA -0.059 4.652 4.550 -0.010 -0.167 0.341 122 Y C -0.473 175.428 175.900 0.001 0.000 1.167 122 Y CA -0.732 57.367 58.100 -0.002 0.000 1.503 122 Y CB -1.717 36.741 38.460 -0.002 0.000 1.199 122 Y HN 0.032 7.638 8.280 -1.124 0.000 0.525 123 G N 3.760 112.634 108.800 0.123 0.000 2.916 123 G HA2 0.223 4.344 3.960 0.104 0.000 0.144 123 G HA3 0.223 4.199 3.960 0.027 0.000 0.144 123 G C -2.097 172.812 174.900 0.014 0.000 1.484 123 G CA 1.251 46.390 45.100 0.066 0.000 0.984 123 G HN -0.518 7.823 8.290 0.085 0.000 0.720 124 P HA -0.153 4.231 4.420 -0.059 0.000 0.213 124 P C -0.088 177.198 177.300 -0.023 0.000 1.170 124 P CA 1.224 64.282 63.100 -0.069 0.000 0.889 124 P CB 0.184 31.792 31.700 -0.153 0.000 0.782 125 Q N 0.542 120.331 119.800 -0.017 0.000 2.389 125 Q HA 0.024 4.368 4.340 0.006 0.000 0.244 125 Q C -0.914 175.110 176.000 0.040 0.000 1.056 125 Q CA -0.458 55.348 55.803 0.005 0.000 0.908 125 Q CB -0.703 28.031 28.738 -0.007 0.000 1.273 125 Q HN 0.019 8.270 8.270 -0.031 0.000 0.471 126 G N 3.708 112.543 108.800 0.058 0.000 3.349 126 G HA2 0.268 4.326 3.960 0.162 0.000 0.155 126 G HA3 0.268 4.322 3.960 0.155 0.000 0.155 126 G C -1.804 173.132 174.900 0.060 0.000 1.219 126 G CA 0.617 45.786 45.100 0.114 0.000 1.356 126 G HN -0.090 8.223 8.290 0.038 0.000 0.687 127 R N 2.257 122.778 120.500 0.034 0.000 2.638 127 R HA 0.332 4.672 4.340 -0.000 0.000 0.261 127 R C -1.262 175.061 176.300 0.039 0.000 1.515 127 R CA -0.484 55.610 56.100 -0.011 0.000 1.623 127 R CB 0.325 30.544 30.300 -0.136 0.000 1.347 127 R HN 0.243 8.550 8.270 0.062 0.000 0.705 128 S N 2.425 118.153 115.700 0.047 0.000 2.610 128 S HA 0.406 4.965 4.470 0.059 -0.054 0.273 128 S C -0.398 174.234 174.600 0.053 0.000 1.274 128 S CA -1.639 56.590 58.200 0.048 0.000 1.023 128 S CB 0.614 63.829 63.200 0.025 0.000 0.962 128 S HN -0.011 8.320 8.310 0.035 0.000 0.523 129 P HA 0.227 4.630 4.420 -0.029 0.000 0.245 129 P C -0.309 176.940 177.300 -0.086 0.000 1.206 129 P CA 0.515 63.578 63.100 -0.061 0.000 0.781 129 P CB 0.478 32.099 31.700 -0.132 0.000 0.994 130 Y N -1.347 118.940 120.300 -0.022 0.000 2.089 130 Y HA -0.233 4.308 4.550 -0.016 0.000 0.282 130 Y C 0.788 176.676 175.900 -0.019 0.000 1.139 130 Y CA 1.889 59.974 58.100 -0.025 0.000 1.123 130 Y CB 0.200 38.634 38.460 -0.044 0.000 0.980 130 Y HN -0.589 7.763 8.280 0.207 0.053 0.493 131 I N 0.230 120.878 120.570 0.130 0.000 2.312 131 I HA 0.120 4.348 4.170 0.096 0.000 0.291 131 I C -2.097 174.066 176.117 0.076 0.000 1.031 131 I CA -2.374 58.978 61.300 0.087 0.000 1.293 131 I CB 0.685 38.706 38.000 0.036 0.000 1.403 131 I HN -0.649 7.648 8.210 0.145 0.000 0.484 132 P HA 0.405 4.849 4.420 0.041 0.000 0.281 132 P C -2.391 174.941 177.300 0.053 0.000 1.264 132 P CA -2.478 60.655 63.100 0.055 0.000 0.824 132 P CB -0.079 31.653 31.700 0.054 0.000 1.092 133 P HA -0.073 4.409 4.420 -0.052 -0.093 0.276 133 P C -0.912 176.437 177.300 0.083 0.000 1.235 133 P CA 0.329 63.431 63.100 0.004 0.000 0.772 133 P CB 0.299 32.008 31.700 0.014 0.000 0.871 134 H N 1.787 120.873 119.070 0.027 0.000 4.746 134 H HA -0.395 4.174 4.556 0.021 0.000 0.248 134 H C -1.548 173.794 175.328 0.022 0.000 0.567 134 H CA 0.874 56.935 56.048 0.021 0.000 0.788 134 H CB -0.324 29.445 29.762 0.012 0.000 0.953 134 H HN 0.051 8.202 8.280 -0.215 0.000 0.306 135 A N -3.779 119.132 122.820 0.153 0.000 2.425 135 A HA -0.331 4.024 4.320 0.059 0.000 0.682 135 A C -1.422 176.192 177.584 0.050 0.000 0.148 135 A CA 0.473 52.556 52.037 0.077 0.000 0.059 135 A CB -0.015 19.023 19.000 0.064 0.000 3.953 135 A HN 0.137 8.409 8.150 0.203 0.000 0.545 136 A N 5.532 128.364 122.820 0.020 0.000 2.539 136 A HA 0.224 4.618 4.320 0.003 -0.073 0.306 136 A C -0.786 176.794 177.584 -0.006 0.000 1.392 136 A CA -0.524 51.510 52.037 -0.006 0.000 1.060 136 A CB -0.238 18.736 19.000 -0.043 0.000 1.134 136 A HN 0.032 8.308 8.150 0.013 -0.118 0.542 137 L N -1.300 119.938 121.223 0.024 0.000 2.357 137 L HA 0.752 5.113 4.340 0.036 0.000 0.273 137 L C -0.643 176.256 176.870 0.048 0.000 1.080 137 L CA -1.603 53.265 54.840 0.048 0.000 0.803 137 L CB 1.551 43.664 42.059 0.090 0.000 1.174 137 L HN -0.477 7.773 8.230 0.033 0.000 0.443 138 C N -0.775 118.562 119.300 0.061 0.000 2.466 138 C HA 0.489 5.165 4.460 0.073 -0.172 0.379 138 C C -1.026 174.023 174.990 0.099 0.000 1.251 138 C CA -2.366 56.700 59.018 0.081 0.000 2.263 138 C CB 1.742 29.542 27.740 0.100 0.000 2.511 138 C HN 0.070 8.337 8.230 0.062 0.000 0.573 139 L N -2.748 118.534 121.223 0.098 0.000 2.611 139 L HA 0.645 5.219 4.340 0.105 -0.171 0.263 139 L C -1.428 175.488 176.870 0.076 0.000 0.969 139 L CA -0.481 54.420 54.840 0.101 0.000 0.894 139 L CB 2.451 44.589 42.059 0.131 0.000 1.229 139 L HN 0.287 8.577 8.230 0.099 0.000 0.416 140 E N 4.937 125.169 120.200 0.052 0.000 2.223 140 E HA 0.214 4.726 4.350 0.026 -0.146 0.282 140 E C -1.143 175.456 176.600 -0.003 0.000 1.046 140 E CA -0.812 55.595 56.400 0.012 0.000 0.857 140 E CB 1.653 31.338 29.700 -0.024 0.000 1.055 140 E HN -0.080 8.314 8.360 0.056 0.000 0.409 141 V N 9.326 129.245 119.914 0.008 0.000 2.318 141 V HA 0.162 4.432 4.120 0.048 -0.121 0.271 141 V C -0.942 175.155 176.094 0.005 0.000 1.030 141 V CA -0.835 61.482 62.300 0.029 0.000 0.844 141 V CB 0.629 32.482 31.823 0.051 0.000 1.015 141 V HN 0.639 8.835 8.190 0.011 0.000 0.460 142 T N 11.251 125.802 114.554 -0.005 0.000 2.893 142 T HA 0.288 4.802 4.350 -0.023 -0.178 0.324 142 T C -1.491 173.238 174.700 0.048 0.000 1.082 142 T CA -1.029 61.058 62.100 -0.022 0.000 0.983 142 T CB 1.139 69.925 68.868 -0.136 0.000 1.005 142 T HN 0.401 8.649 8.240 0.013 0.000 0.475 143 L N 9.185 130.436 121.223 0.046 0.000 2.456 143 L HA -0.052 4.340 4.340 0.087 0.000 0.277 143 L C -0.650 176.251 176.870 0.052 0.000 1.124 143 L CA 0.405 55.281 54.840 0.059 0.000 0.880 143 L CB -0.524 41.560 42.059 0.042 0.000 1.192 143 L HN 0.758 9.005 8.230 0.028 0.000 0.463 144 K N 6.606 127.047 120.400 0.068 0.000 2.056 144 K HA 0.032 4.384 4.320 0.054 0.000 0.205 144 K C 0.060 176.679 176.600 0.032 0.000 1.035 144 K CA 1.940 58.261 56.287 0.057 0.000 0.955 144 K CB 0.852 33.396 32.500 0.074 0.000 0.769 144 K HN 0.078 8.380 8.250 0.087 0.000 0.447 145 T N -2.876 111.692 114.554 0.022 0.000 2.971 145 T HA 0.139 4.490 4.350 0.003 0.000 0.304 145 T C -2.299 172.392 174.700 -0.016 0.000 1.038 145 T CA -1.056 61.046 62.100 0.003 0.000 1.007 145 T CB 2.842 71.711 68.868 0.002 0.000 1.055 145 T HN -0.605 7.654 8.240 0.032 0.000 0.451 146 A N 5.585 128.391 122.820 -0.024 0.000 2.322 146 A HA 0.305 4.584 4.320 -0.069 0.000 0.327 146 A C -0.928 176.632 177.584 -0.040 0.000 1.394 146 A CA -1.053 50.958 52.037 -0.045 0.000 0.921 146 A CB 0.121 19.097 19.000 -0.039 0.000 1.153 146 A HN 0.318 8.459 8.150 -0.015 0.000 0.523 147 V N 0.044 119.929 119.914 -0.049 0.000 2.495 147 V HA 0.449 4.551 4.120 -0.029 0.000 0.298 147 V C -0.786 175.281 176.094 -0.044 0.000 1.031 147 V CA -2.119 60.159 62.300 -0.037 0.000 0.871 147 V CB 2.347 34.153 31.823 -0.028 0.000 0.988 147 V HN -0.503 7.648 8.190 -0.064 0.000 0.432 148 D N 5.950 126.330 120.400 -0.034 0.000 2.619 148 D HA -0.066 4.550 4.640 -0.041 0.000 0.224 148 D C -0.198 176.086 176.300 -0.027 0.000 1.133 148 D CA -0.664 53.316 54.000 -0.033 0.000 1.017 148 D CB -1.741 39.043 40.800 -0.026 0.000 1.077 148 D HN 0.342 8.695 8.370 -0.028 0.000 0.503 149 G N 1.645 110.427 108.800 -0.030 0.000 2.738 149 G HA2 -0.279 3.667 3.960 -0.024 0.000 0.262 149 G HA3 -0.279 3.670 3.960 -0.019 0.000 0.262 149 G C -2.027 172.863 174.900 -0.017 0.000 1.032 149 G CA -0.544 44.542 45.100 -0.023 0.000 1.278 149 G HN -0.502 7.713 8.290 -0.040 0.050 0.537 150 P HA 0.089 4.502 4.420 -0.011 0.000 0.284 150 P C -1.505 175.790 177.300 -0.008 0.000 1.343 150 P CA -0.649 62.445 63.100 -0.011 0.000 0.826 150 P CB 0.227 31.920 31.700 -0.012 0.000 0.956 151 D N 4.418 124.814 120.400 -0.007 0.000 2.313 151 D HA 0.135 4.772 4.640 -0.004 0.000 0.239 151 D C -0.786 175.512 176.300 -0.003 0.000 1.142 151 D CA 0.013 54.010 54.000 -0.005 0.000 0.847 151 D CB 0.720 41.517 40.800 -0.005 0.000 1.082 151 D HN 0.071 8.436 8.370 -0.007 0.000 0.480 152 L N 4.777 125.999 121.223 -0.002 0.000 2.541 152 L HA 0.291 4.629 4.340 -0.002 0.000 0.266 152 L C -1.025 175.845 176.870 -0.001 0.000 0.966 152 L CA 0.983 55.822 54.840 -0.002 0.000 0.871 152 L CB 0.936 42.994 42.059 -0.002 0.000 1.232 152 L HN 0.252 8.481 8.230 -0.002 0.000 0.408 153 E N 0.000 120.199 120.200 -0.001 0.000 2.725 153 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 153 E CA 0.000 56.400 56.400 -0.001 0.000 0.976 153 E CB 0.000 29.700 29.700 -0.001 0.000 0.812 153 E HN 0.000 8.359 8.360 -0.001 0.000 0.440