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 2kli_1_A DATA FIRST_RESID 31 DATA SEQUENCE LDQILRATVE EVRAFLGTDR VKVYRFDPEG HGTVVAEARG GERLPSLLGL DATA SEQUENCE TFPAGDIPEE ARRLFRLAQV RVIVDVEAQS RSISQPESWG LSARVPLGEP DATA SEQUENCE LQRPVDPCHV HYLKSMGVAS SLVVPLMHHQ ELWGLLVSHH AEPRPYSQEE DATA SEQUENCE LQVVQLLADQ VSIAIAQAEL SL 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 31 L HA 0.000 4.303 4.340 -0.062 0.000 0.249 31 L C 0.000 176.845 176.870 -0.042 0.000 1.165 31 L CA 0.000 54.805 54.840 -0.059 0.000 0.813 31 L CB 0.000 42.012 42.059 -0.078 0.000 0.961 32 D N -0.002 120.377 120.400 -0.036 0.000 2.116 32 D HA -0.265 4.362 4.640 -0.021 0.000 0.193 32 D C 2.483 178.773 176.300 -0.017 0.000 0.998 32 D CA 3.672 57.658 54.000 -0.023 0.000 0.836 32 D CB -0.613 40.175 40.800 -0.020 0.000 0.951 32 D HN 0.311 8.658 8.370 -0.040 0.000 0.449 33 Q N -1.185 118.604 119.800 -0.019 0.000 2.046 33 Q HA -0.212 4.122 4.340 -0.009 0.000 0.200 33 Q C 2.401 178.393 176.000 -0.013 0.000 0.975 33 Q CA 2.691 58.485 55.803 -0.014 0.000 0.836 33 Q CB -0.192 28.537 28.738 -0.015 0.000 0.896 33 Q HN 0.033 8.290 8.270 -0.023 0.000 0.428 34 I N -0.363 120.195 120.570 -0.020 0.000 2.208 34 I HA -0.375 3.786 4.170 -0.016 0.000 0.245 34 I C 1.775 177.884 176.117 -0.014 0.000 1.097 34 I CA 2.374 63.663 61.300 -0.019 0.000 1.363 34 I CB -0.723 37.260 38.000 -0.030 0.000 1.051 34 I HN -0.243 7.951 8.210 -0.025 0.000 0.413 35 L N -2.514 118.701 121.223 -0.014 0.000 2.291 35 L HA -0.179 4.159 4.340 -0.004 0.000 0.214 35 L C 2.475 179.347 176.870 0.003 0.000 1.120 35 L CA 2.017 56.854 54.840 -0.005 0.000 0.799 35 L CB -0.697 41.359 42.059 -0.005 0.000 0.925 35 L HN -0.089 8.130 8.230 -0.019 0.000 0.446 36 R N -0.154 120.347 120.500 0.002 0.000 2.092 36 R HA -0.384 3.962 4.340 0.011 0.000 0.231 36 R C 1.703 178.009 176.300 0.009 0.000 1.119 36 R CA 3.195 59.299 56.100 0.007 0.000 0.970 36 R CB -0.339 29.963 30.300 0.004 0.000 0.864 36 R HN -0.655 7.472 8.270 -0.003 0.141 0.440 37 A N -3.514 119.310 122.820 0.006 0.000 1.970 37 A HA -0.059 4.268 4.320 0.011 0.000 0.216 37 A C 1.467 179.057 177.584 0.011 0.000 1.170 37 A CA 2.761 54.803 52.037 0.008 0.000 0.645 37 A CB -0.585 18.417 19.000 0.003 0.000 0.816 37 A HN -0.557 7.583 8.150 0.001 0.011 0.447 38 T N -1.260 113.299 114.554 0.008 0.000 2.770 38 T HA -0.303 4.052 4.350 0.007 0.000 0.263 38 T C 1.778 176.490 174.700 0.020 0.000 1.039 38 T CA 2.860 64.966 62.100 0.010 0.000 1.142 38 T CB 0.221 69.091 68.868 0.004 0.000 0.868 38 T HN -0.635 7.516 8.240 0.005 0.092 0.435 39 V N 1.193 121.121 119.914 0.022 0.000 2.469 39 V HA -0.415 3.726 4.120 0.034 0.000 0.251 39 V C 1.284 177.400 176.094 0.038 0.000 1.064 39 V CA 3.557 65.876 62.300 0.031 0.000 1.066 39 V CB -0.452 31.389 31.823 0.029 0.000 0.667 39 V HN 0.281 8.370 8.190 0.018 0.111 0.461 40 E N -1.347 118.873 120.200 0.033 0.000 2.107 40 E HA -0.298 4.076 4.350 0.041 0.000 0.191 40 E C 2.637 179.267 176.600 0.050 0.000 0.982 40 E CA 2.929 59.352 56.400 0.038 0.000 0.809 40 E CB -0.469 29.249 29.700 0.030 0.000 0.756 40 E HN -0.618 7.738 8.360 0.027 0.020 0.459 41 E N 0.058 120.285 120.200 0.046 0.000 2.077 41 E HA -0.280 4.109 4.350 0.064 0.000 0.193 41 E C 2.762 179.415 176.600 0.089 0.000 0.989 41 E CA 2.798 59.233 56.400 0.057 0.000 0.800 41 E CB -0.065 29.653 29.700 0.031 0.000 0.746 41 E HN -0.701 7.590 8.360 0.034 0.090 0.452 42 V N -0.347 119.613 119.914 0.076 0.000 2.270 42 V HA -0.428 3.763 4.120 0.118 0.000 0.245 42 V C 1.595 177.778 176.094 0.149 0.000 1.043 42 V CA 4.325 66.690 62.300 0.107 0.000 1.014 42 V CB -0.750 31.116 31.823 0.072 0.000 0.645 42 V HN -0.196 8.027 8.190 0.055 0.000 0.447 43 R N -0.220 120.344 120.500 0.106 0.000 2.103 43 R HA -0.497 3.906 4.340 0.105 0.000 0.242 43 R C 2.222 178.582 176.300 0.099 0.000 1.142 43 R CA 3.488 59.647 56.100 0.098 0.000 0.960 43 R CB -0.138 30.206 30.300 0.073 0.000 0.858 43 R HN -0.675 7.645 8.270 0.083 0.000 0.439 44 A N -2.908 119.974 122.820 0.103 0.000 1.940 44 A HA -0.248 4.106 4.320 0.058 0.000 0.219 44 A C 1.260 178.910 177.584 0.110 0.000 1.176 44 A CA 2.594 54.686 52.037 0.091 0.000 0.631 44 A CB -0.668 18.388 19.000 0.093 0.000 0.814 44 A HN -0.404 7.801 8.150 0.099 0.005 0.446 45 F N -1.852 118.111 119.950 0.022 0.000 2.147 45 F HA -0.227 4.311 4.527 0.018 0.000 0.291 45 F C 1.193 177.009 175.800 0.027 0.000 1.093 45 F CA 2.333 60.346 58.000 0.021 0.000 1.263 45 F CB 0.958 39.970 39.000 0.020 0.000 1.036 45 F HN -0.797 7.557 8.300 0.288 0.118 0.481 46 L N -3.029 118.314 121.223 0.201 0.000 2.552 46 L HA -0.148 4.224 4.340 0.054 0.000 0.227 46 L C 0.437 177.326 176.870 0.031 0.000 1.146 46 L CA 0.191 55.098 54.840 0.111 0.000 0.858 46 L CB 0.673 42.842 42.059 0.183 0.000 0.969 46 L HN 0.374 8.667 8.230 0.296 0.115 0.451 47 G N -1.360 107.451 108.800 0.018 0.000 2.280 47 G HA2 -0.423 3.602 3.960 0.015 0.000 0.282 47 G HA3 -0.423 3.515 3.960 -0.036 0.000 0.282 47 G C -0.117 174.810 174.900 0.045 0.000 1.000 47 G CA 1.198 46.302 45.100 0.006 0.000 0.751 47 G HN -0.131 8.018 8.290 0.039 0.164 0.515 48 T N -0.298 114.318 114.554 0.102 0.000 2.907 48 T HA -0.067 4.398 4.350 0.191 0.000 0.298 48 T C 0.470 175.256 174.700 0.144 0.000 1.017 48 T CA 0.764 62.977 62.100 0.188 0.000 1.118 48 T CB 0.796 69.843 68.868 0.298 0.000 0.948 48 T HN -0.901 7.339 8.240 0.107 0.064 0.531 49 D N 5.329 125.825 120.400 0.160 0.000 2.182 49 D HA -0.246 4.442 4.640 0.079 0.000 0.201 49 D C -0.757 175.595 176.300 0.086 0.000 0.986 49 D CA 3.290 57.354 54.000 0.106 0.000 0.847 49 D CB 0.411 41.277 40.800 0.109 0.000 0.942 49 D HN 0.662 9.166 8.370 0.223 0.000 0.467 50 R N -2.955 117.603 120.500 0.097 0.000 2.508 50 R HA 0.561 5.165 4.340 0.060 -0.228 0.283 50 R C -2.948 173.391 176.300 0.063 0.000 1.120 50 R CA -0.545 55.599 56.100 0.072 0.000 0.958 50 R CB 3.344 33.684 30.300 0.067 0.000 1.215 50 R HN -0.336 7.991 8.270 0.123 0.017 0.427 51 V N 6.936 126.880 119.914 0.051 0.000 2.760 51 V HA 1.021 5.360 4.120 0.013 -0.211 0.309 51 V C -2.942 173.175 176.094 0.038 0.000 1.077 51 V CA -2.569 59.751 62.300 0.034 0.000 0.910 51 V CB 3.679 35.526 31.823 0.039 0.000 1.008 51 V HN 0.057 8.278 8.190 0.051 0.000 0.424 52 K N 5.268 125.691 120.400 0.038 0.000 2.533 52 K HA 0.408 4.752 4.320 0.040 0.000 0.272 52 K C -2.738 173.901 176.600 0.065 0.000 0.985 52 K CA -1.904 54.409 56.287 0.044 0.000 0.876 52 K CB 3.355 35.874 32.500 0.032 0.000 1.452 52 K HN 0.023 8.293 8.250 0.033 0.000 0.439 53 V N -0.125 119.832 119.914 0.071 0.000 2.481 53 V HA 0.086 4.270 4.120 0.107 0.000 0.286 53 V C -1.676 174.507 176.094 0.149 0.000 1.042 53 V CA -0.627 61.730 62.300 0.095 0.000 0.928 53 V CB 1.315 33.174 31.823 0.060 0.000 0.986 53 V HN -0.005 8.219 8.190 0.055 0.000 0.462 54 Y N 8.720 129.047 120.300 0.045 0.000 2.331 54 Y HA 0.404 4.984 4.550 0.049 0.000 0.334 54 Y C -2.499 173.469 175.900 0.112 0.000 0.960 54 Y CA -1.949 56.188 58.100 0.062 0.000 1.130 54 Y CB 2.966 41.457 38.460 0.052 0.000 1.164 54 Y HN 0.196 8.619 8.280 0.238 0.000 0.458 55 R N 7.316 127.480 120.500 -0.560 0.000 2.700 55 R HA 0.679 5.090 4.340 -0.116 -0.140 0.253 55 R C -1.989 173.983 176.300 -0.547 0.000 1.091 55 R CA -2.045 53.846 56.100 -0.350 0.000 1.104 55 R CB 3.185 33.400 30.300 -0.143 0.000 1.202 55 R HN -0.047 7.915 8.270 -0.513 0.000 0.532 56 F N 0.117 119.918 119.950 -0.249 0.000 2.547 56 F HA 0.211 4.616 4.527 -0.203 0.000 0.316 56 F C -2.427 173.378 175.800 0.009 0.000 1.121 56 F CA -0.621 57.303 58.000 -0.126 0.000 0.911 56 F CB 3.661 42.658 39.000 -0.005 0.000 1.179 56 F HN -0.415 7.967 8.300 0.138 0.000 0.443 57 D N 7.329 127.072 120.400 -1.095 0.000 2.233 57 D HA 0.481 4.831 4.640 -0.483 0.000 0.240 57 D C -1.080 174.453 176.300 -1.277 0.000 1.074 57 D CA -2.376 51.132 54.000 -0.820 0.000 0.838 57 D CB 0.551 41.148 40.800 -0.338 0.000 1.124 57 D HN 0.160 7.972 8.370 -0.930 0.000 0.475 58 P HA -0.201 4.305 4.420 0.143 0.000 0.218 58 P C -0.555 176.690 177.300 -0.091 0.000 1.147 58 P CA 2.087 65.090 63.100 -0.162 0.000 0.827 58 P CB 0.137 31.855 31.700 0.030 0.000 0.778 59 E N -3.933 116.185 120.200 -0.136 0.000 2.482 59 E HA -0.093 4.276 4.350 0.032 0.000 0.196 59 E C 0.608 177.194 176.600 -0.022 0.000 1.047 59 E CA 0.179 56.581 56.400 0.003 0.000 0.869 59 E CB -0.245 29.513 29.700 0.096 0.000 0.836 59 E HN -0.153 8.033 8.360 -0.202 0.052 0.520 60 G N -2.028 106.683 108.800 -0.147 0.000 2.218 60 G HA2 -0.331 3.765 3.960 0.227 0.000 0.216 60 G HA3 -0.331 3.564 3.960 -0.110 0.000 0.216 60 G C -1.377 173.410 174.900 -0.188 0.000 0.994 60 G CA 0.126 45.183 45.100 -0.072 0.000 0.637 60 G HN 0.481 8.345 8.290 -0.385 0.195 0.505 61 H N 2.166 121.190 119.070 -0.078 0.000 2.525 61 H HA 0.052 4.652 4.556 0.074 0.000 0.339 61 H C -1.456 173.857 175.328 -0.024 0.000 1.109 61 H CA 1.009 57.052 56.048 -0.007 0.000 1.352 61 H CB 1.375 31.121 29.762 -0.026 0.000 1.461 61 H HN -0.568 7.632 8.280 -0.026 0.064 0.533 62 G N 0.496 109.448 108.800 0.254 0.000 2.524 62 G HA2 0.334 4.300 3.960 -0.087 0.000 0.310 62 G HA3 0.334 4.563 3.960 0.384 -0.038 0.310 62 G C -2.355 172.680 174.900 0.224 0.000 1.279 62 G CA -1.337 43.862 45.100 0.166 0.000 0.974 62 G HN 0.184 8.583 8.290 0.333 0.090 0.484 63 T N -0.525 114.034 114.554 0.009 0.000 2.893 63 T HA 0.328 4.808 4.350 0.217 0.000 0.291 63 T C -0.507 174.233 174.700 0.066 0.000 1.028 63 T CA -2.205 59.953 62.100 0.096 0.000 0.995 63 T CB 3.180 72.070 68.868 0.037 0.000 1.051 63 T HN -0.434 7.680 8.240 -0.211 0.000 0.470 64 V N 2.914 122.900 119.914 0.120 0.000 2.304 64 V HA 0.477 4.832 4.120 0.096 -0.177 0.269 64 V C -1.032 175.090 176.094 0.045 0.000 1.036 64 V CA -1.808 60.543 62.300 0.084 0.000 0.840 64 V CB -0.977 30.876 31.823 0.051 0.000 1.036 64 V HN -0.029 8.250 8.190 0.147 0.000 0.466 65 V N 6.624 126.553 119.914 0.025 0.000 3.649 65 V HA -0.027 4.102 4.120 0.014 0.000 0.275 65 V C -1.748 174.353 176.094 0.013 0.000 1.281 65 V CA -1.534 60.773 62.300 0.012 0.000 1.143 65 V CB -0.615 31.204 31.823 -0.007 0.000 0.892 65 V HN 0.571 8.772 8.190 0.019 0.000 0.441 66 A N -3.175 119.658 122.820 0.021 0.000 2.574 66 A HA 0.301 4.631 4.320 0.016 0.000 0.297 66 A C -2.911 174.688 177.584 0.025 0.000 1.062 66 A CA -0.147 51.902 52.037 0.020 0.000 0.686 66 A CB 2.215 21.226 19.000 0.019 0.000 1.285 66 A HN -0.729 7.369 8.150 0.029 0.070 0.403 67 E N 0.372 120.586 120.200 0.022 0.000 2.481 67 E HA 0.186 4.552 4.350 0.026 0.000 0.301 67 E C -2.958 173.657 176.600 0.024 0.000 0.948 67 E CA 0.141 56.555 56.400 0.023 0.000 0.804 67 E CB 3.504 33.214 29.700 0.016 0.000 1.265 67 E HN 0.101 8.473 8.360 0.020 0.000 0.406 68 A N 5.660 128.498 122.820 0.030 0.000 2.304 68 A HA 0.530 4.997 4.320 0.029 -0.130 0.323 68 A C -1.314 176.291 177.584 0.034 0.000 1.195 68 A CA -1.330 50.727 52.037 0.033 0.000 0.826 68 A CB 2.769 21.793 19.000 0.040 0.000 1.184 68 A HN 0.343 8.512 8.150 0.032 0.000 0.496 69 R N 1.591 122.109 120.500 0.030 0.000 2.670 69 R HA 0.610 5.080 4.340 0.034 -0.110 0.289 69 R C 0.079 176.398 176.300 0.032 0.000 0.965 69 R CA -1.796 54.322 56.100 0.030 0.000 0.899 69 R CB 3.425 33.738 30.300 0.021 0.000 1.173 69 R HN 0.254 8.541 8.270 0.028 0.000 0.456 70 G N 2.065 110.887 108.800 0.036 0.000 2.519 70 G HA2 0.159 4.140 3.960 0.034 0.000 0.306 70 G HA3 0.159 4.153 3.960 0.042 -0.008 0.306 70 G C -0.313 174.602 174.900 0.025 0.000 0.965 70 G CA -0.019 45.102 45.100 0.035 0.000 1.291 70 G HN 0.670 8.924 8.290 0.040 0.060 0.450 71 G N 7.864 116.676 108.800 0.021 0.000 3.434 71 G HA2 -0.502 3.467 3.960 0.014 0.000 0.343 71 G HA3 -0.502 3.467 3.960 0.014 0.000 0.343 71 G C -0.703 174.205 174.900 0.014 0.000 1.240 71 G CA 1.625 46.734 45.100 0.016 0.000 0.996 71 G HN -0.119 8.184 8.290 0.022 0.000 0.650 72 E N 1.488 121.695 120.200 0.013 0.000 3.460 72 E HA 0.113 4.469 4.350 0.010 0.000 0.136 72 E C -0.656 175.949 176.600 0.007 0.000 0.957 72 E CA -0.382 56.024 56.400 0.010 0.000 1.564 72 E CB 0.270 29.975 29.700 0.008 0.000 1.067 72 E HN -0.165 8.203 8.360 0.014 0.000 0.356 73 R N -0.665 119.841 120.500 0.010 0.000 2.055 73 R HA -0.097 4.246 4.340 0.005 0.000 0.228 73 R C -0.307 175.993 176.300 -0.000 0.000 1.143 73 R CA 2.313 58.417 56.100 0.007 0.000 0.945 73 R CB 0.712 31.020 30.300 0.015 0.000 0.841 73 R HN -0.395 7.883 8.270 0.014 0.000 0.429 74 L N -0.739 120.483 121.223 -0.000 0.000 2.379 74 L HA 0.348 4.674 4.340 -0.025 0.000 0.269 74 L C -2.051 174.812 176.870 -0.012 0.000 1.084 74 L CA -2.977 51.853 54.840 -0.015 0.000 0.802 74 L CB -0.500 41.546 42.059 -0.021 0.000 1.175 74 L HN -0.251 7.984 8.230 0.008 0.000 0.448 75 P HA 0.187 4.606 4.420 -0.002 0.000 0.276 75 P C -1.419 175.878 177.300 -0.005 0.000 1.261 75 P CA -0.765 62.331 63.100 -0.008 0.000 0.800 75 P CB 0.754 32.449 31.700 -0.007 0.000 1.066 76 S N 0.905 116.608 115.700 0.006 0.000 2.513 76 S HA 0.108 4.782 4.470 0.004 -0.201 0.276 76 S C -0.452 174.159 174.600 0.018 0.000 1.254 76 S CA -0.711 57.494 58.200 0.010 0.000 1.053 76 S CB 0.648 63.858 63.200 0.015 0.000 0.958 76 S HN 0.030 8.345 8.310 0.009 0.000 0.491 77 L N 1.357 122.584 121.223 0.007 0.000 2.693 77 L HA 0.208 4.590 4.340 0.069 0.000 0.235 77 L C -0.408 176.484 176.870 0.037 0.000 1.127 77 L CA -0.597 54.255 54.840 0.020 0.000 0.914 77 L CB 0.477 42.489 42.059 -0.078 0.000 1.193 77 L HN 0.506 9.265 8.230 -0.007 -0.533 0.502 78 L N 0.304 121.543 121.223 0.027 0.000 2.525 78 L HA -0.345 4.016 4.340 0.034 0.000 0.278 78 L C 1.273 178.177 176.870 0.057 0.000 1.218 78 L CA 1.777 56.639 54.840 0.037 0.000 0.878 78 L CB 0.453 42.528 42.059 0.026 0.000 1.127 78 L HN -0.425 7.862 8.230 0.018 -0.046 0.492 79 G N 3.597 112.437 108.800 0.066 0.000 2.175 79 G HA2 -0.417 3.578 3.960 0.057 0.000 0.244 79 G HA3 -0.417 3.577 3.960 0.057 0.000 0.244 79 G C -1.111 173.853 174.900 0.106 0.000 0.982 79 G CA -0.117 45.024 45.100 0.069 0.000 0.641 79 G HN 0.086 8.414 8.290 0.063 0.000 0.527 80 L N 1.975 123.296 121.223 0.164 0.000 2.295 80 L HA 0.237 4.691 4.340 0.190 0.000 0.285 80 L C -0.791 176.305 176.870 0.376 0.000 1.035 80 L CA -1.079 53.919 54.840 0.263 0.000 0.806 80 L CB 0.764 43.057 42.059 0.390 0.000 1.214 80 L HN -0.654 7.587 8.230 0.147 0.077 0.426 81 T N -0.078 114.657 114.554 0.301 0.000 2.729 81 T HA 0.238 4.928 4.350 0.347 -0.133 0.296 81 T C -0.524 174.419 174.700 0.405 0.000 0.928 81 T CA -0.665 61.631 62.100 0.326 0.000 1.045 81 T CB 0.495 69.476 68.868 0.188 0.000 0.902 81 T HN 0.138 8.499 8.240 0.201 0.000 0.500 82 F N 6.413 126.505 119.950 0.237 0.000 2.436 82 F HA 0.381 5.005 4.527 0.161 0.000 0.340 82 F C -2.304 173.655 175.800 0.265 0.000 1.113 82 F CA -2.802 55.334 58.000 0.227 0.000 1.022 82 F CB 2.446 41.570 39.000 0.208 0.000 1.128 82 F HN 0.603 9.239 8.300 0.712 0.092 0.466 83 P HA 0.276 4.914 4.420 0.142 -0.133 0.276 83 P C -0.105 177.328 177.300 0.221 0.000 1.244 83 P CA -1.015 62.176 63.100 0.152 0.000 0.801 83 P CB 1.291 32.984 31.700 -0.011 0.000 1.006 84 A N 1.123 124.096 122.820 0.255 0.000 2.067 84 A HA -0.161 4.365 4.320 0.345 0.000 0.219 84 A C 2.095 179.725 177.584 0.076 0.000 1.158 84 A CA 2.612 54.809 52.037 0.267 0.000 0.661 84 A CB -0.158 19.064 19.000 0.370 0.000 0.801 84 A HN 0.501 8.779 8.150 0.214 0.000 0.452 85 G N -2.215 106.604 108.800 0.032 0.000 2.532 85 G HA2 -0.417 3.526 3.960 -0.030 0.000 0.222 85 G HA3 -0.417 3.522 3.960 -0.036 0.000 0.222 85 G C 0.484 175.339 174.900 -0.076 0.000 1.102 85 G CA 1.814 46.897 45.100 -0.029 0.000 0.742 85 G HN 0.542 8.813 8.290 0.042 0.044 0.577 86 D N 0.069 120.418 120.400 -0.084 0.000 2.221 86 D HA -0.183 4.290 4.640 -0.279 0.000 0.204 86 D C 0.376 176.558 176.300 -0.196 0.000 0.982 86 D CA 2.265 56.149 54.000 -0.193 0.000 0.857 86 D CB 0.244 40.944 40.800 -0.167 0.000 0.934 86 D HN -0.683 7.618 8.370 -0.024 0.055 0.475 87 I N -2.301 118.184 120.570 -0.142 0.000 2.465 87 I HA 0.299 4.359 4.170 -0.182 0.000 0.291 87 I C -1.787 174.251 176.117 -0.132 0.000 1.014 87 I CA -3.088 58.116 61.300 -0.160 0.000 1.093 87 I CB 1.703 39.596 38.000 -0.179 0.000 1.267 87 I HN -0.057 7.942 8.210 -0.097 0.152 0.431 88 P HA 0.122 4.489 4.420 -0.089 0.000 0.214 88 P C -0.366 176.866 177.300 -0.114 0.000 1.110 88 P CA 0.476 63.512 63.100 -0.107 0.000 0.659 88 P CB 0.837 32.479 31.700 -0.097 0.000 0.803 89 E N -2.802 117.333 120.200 -0.110 0.000 3.575 89 E HA 0.033 4.309 4.350 -0.123 0.000 0.263 89 E C 1.238 177.782 176.600 -0.094 0.000 1.230 89 E CA 1.048 57.385 56.400 -0.105 0.000 1.875 89 E CB 1.274 30.925 29.700 -0.081 0.000 1.961 89 E HN 0.134 8.432 8.360 -0.103 0.000 0.904 90 E N 1.539 121.693 120.200 -0.076 0.000 2.136 90 E HA -0.437 3.883 4.350 -0.049 0.000 0.202 90 E C 1.257 177.829 176.600 -0.047 0.000 1.019 90 E CA 3.159 59.524 56.400 -0.058 0.000 0.819 90 E CB -1.018 28.648 29.700 -0.057 0.000 0.739 90 E HN 0.442 8.757 8.360 -0.075 0.000 0.458 91 A N -1.201 121.570 122.820 -0.081 0.000 1.902 91 A HA -0.364 3.955 4.320 -0.002 0.000 0.217 91 A C 2.174 179.686 177.584 -0.120 0.000 1.181 91 A CA 2.525 54.509 52.037 -0.088 0.000 0.623 91 A CB -0.629 18.260 19.000 -0.186 0.000 0.818 91 A HN 0.297 8.377 8.150 -0.099 0.010 0.443 92 R N -2.240 118.140 120.500 -0.199 0.000 2.148 92 R HA -0.303 3.786 4.340 -0.419 0.000 0.227 92 R C 2.671 178.973 176.300 0.003 0.000 1.103 92 R CA 2.984 58.962 56.100 -0.204 0.000 0.983 92 R CB -0.359 29.822 30.300 -0.198 0.000 0.874 92 R HN -0.289 7.775 8.270 -0.186 0.094 0.451 93 R N -0.517 119.989 120.500 0.010 0.000 2.082 93 R HA -0.304 4.045 4.340 0.015 0.000 0.234 93 R C 2.492 178.847 176.300 0.092 0.000 1.136 93 R CA 2.464 58.584 56.100 0.034 0.000 0.935 93 R CB -0.957 29.347 30.300 0.008 0.000 0.842 93 R HN -0.439 7.676 8.270 -0.026 0.139 0.430 94 L N -1.926 119.381 121.223 0.139 0.000 2.043 94 L HA -0.336 4.036 4.340 0.053 0.000 0.212 94 L C 2.199 179.147 176.870 0.131 0.000 1.075 94 L CA 3.375 58.288 54.840 0.122 0.000 0.752 94 L CB -0.880 41.254 42.059 0.124 0.000 0.891 94 L HN -0.719 7.590 8.230 0.130 0.000 0.432 95 F N -1.635 118.288 119.950 -0.045 0.000 2.134 95 F HA -0.367 4.136 4.527 -0.038 0.000 0.299 95 F C 2.913 178.690 175.800 -0.038 0.000 1.097 95 F CA 3.799 61.774 58.000 -0.042 0.000 1.264 95 F CB -0.690 38.281 39.000 -0.048 0.000 1.001 95 F HN -0.815 7.849 8.300 0.742 0.081 0.479 96 R N -4.924 115.672 120.500 0.161 0.000 2.299 96 R HA -0.186 4.188 4.340 0.056 0.000 0.197 96 R C 0.010 176.328 176.300 0.031 0.000 0.971 96 R CA 1.704 57.842 56.100 0.064 0.000 1.030 96 R CB 0.145 30.462 30.300 0.029 0.000 0.932 96 R HN -0.190 8.094 8.270 0.188 0.098 0.477 97 L N -3.001 118.240 121.223 0.030 0.000 2.445 97 L HA 0.070 4.413 4.340 0.004 0.000 0.207 97 L C 0.137 176.997 176.870 -0.017 0.000 1.053 97 L CA 1.277 56.121 54.840 0.006 0.000 0.841 97 L CB 1.325 43.390 42.059 0.010 0.000 1.074 97 L HN -0.691 7.424 8.230 0.055 0.148 0.479 98 A N -4.552 118.242 122.820 -0.043 0.000 2.469 98 A HA 0.275 4.565 4.320 -0.051 0.000 0.245 98 A C -0.968 176.551 177.584 -0.108 0.000 1.221 98 A CA -0.605 51.389 52.037 -0.072 0.000 0.946 98 A CB 1.423 20.371 19.000 -0.086 0.000 1.049 98 A HN 0.354 8.342 8.150 -0.041 0.138 0.529 99 Q N -3.011 116.718 119.800 -0.117 0.000 2.402 99 Q HA -0.317 4.012 4.340 -0.153 -0.081 0.370 99 Q C -0.443 175.454 176.000 -0.171 0.000 1.334 99 Q CA 0.921 56.645 55.803 -0.131 0.000 1.151 99 Q CB -1.777 26.926 28.738 -0.058 0.000 1.324 99 Q HN -0.437 7.783 8.270 -0.082 0.000 0.332 100 V N -1.831 117.909 119.914 -0.290 0.000 2.996 100 V HA 0.059 4.084 4.120 -0.158 0.000 0.235 100 V C -1.124 174.785 176.094 -0.308 0.000 1.205 100 V CA 0.687 62.842 62.300 -0.242 0.000 1.225 100 V CB 1.157 32.850 31.823 -0.215 0.000 0.995 100 V HN -0.234 7.690 8.190 -0.444 0.000 0.484 101 R N -2.404 117.739 120.500 -0.595 0.000 2.855 101 R HA -0.295 3.287 4.340 -1.264 0.000 0.288 101 R C -2.278 173.874 176.300 -0.248 0.000 0.942 101 R CA 0.529 56.277 56.100 -0.587 0.000 0.705 101 R CB -2.165 27.995 30.300 -0.232 0.000 1.791 101 R HN 0.029 7.808 8.270 -0.817 0.000 0.478 102 V N -1.254 118.536 119.914 -0.206 0.000 2.817 102 V HA 0.131 4.158 4.120 -0.156 0.000 0.303 102 V C -2.216 173.875 176.094 -0.005 0.000 1.151 102 V CA -0.973 61.257 62.300 -0.117 0.000 0.929 102 V CB 3.629 35.381 31.823 -0.118 0.000 1.030 102 V HN -0.422 7.593 8.190 -0.292 0.000 0.427 103 I N 7.091 127.675 120.570 0.023 0.000 2.354 103 I HA 0.223 4.458 4.170 0.108 0.000 0.292 103 I C -0.815 175.402 176.117 0.166 0.000 0.989 103 I CA -1.531 59.834 61.300 0.109 0.000 1.188 103 I CB 2.057 40.145 38.000 0.148 0.000 1.342 103 I HN -0.156 8.022 8.210 -0.052 0.000 0.457 104 V N 6.743 126.757 119.914 0.167 0.000 3.214 104 V HA -0.034 4.236 4.120 0.249 0.000 0.306 104 V C -0.224 175.983 176.094 0.187 0.000 1.078 104 V CA -0.757 61.656 62.300 0.189 0.000 1.077 104 V CB 1.005 32.907 31.823 0.132 0.000 1.121 104 V HN 0.232 8.504 8.190 0.137 0.000 0.468 105 D N 1.945 122.444 120.400 0.164 0.000 2.502 105 D HA -0.157 4.769 4.640 0.158 -0.191 0.249 105 D C 1.775 178.144 176.300 0.115 0.000 1.188 105 D CA 0.979 55.059 54.000 0.134 0.000 0.890 105 D CB -0.477 40.376 40.800 0.088 0.000 1.140 105 D HN -0.118 8.345 8.370 0.154 0.000 0.505 106 V N -0.213 119.771 119.914 0.116 0.000 2.982 106 V HA -0.399 3.792 4.120 0.118 0.000 0.265 106 V C 0.366 176.505 176.094 0.075 0.000 1.122 106 V CA 2.845 65.204 62.300 0.099 0.000 1.143 106 V CB -0.930 30.938 31.823 0.074 0.000 0.726 106 V HN 0.177 8.442 8.190 0.126 0.000 0.507 107 E N -0.685 119.554 120.200 0.066 0.000 2.140 107 E HA -0.146 4.232 4.350 0.047 0.000 0.191 107 E C 0.774 177.403 176.600 0.047 0.000 0.973 107 E CA 1.314 57.744 56.400 0.050 0.000 0.829 107 E CB -0.766 28.959 29.700 0.041 0.000 0.781 107 E HN 0.005 8.322 8.360 0.073 0.087 0.466 108 A N -0.999 121.853 122.820 0.053 0.000 2.125 108 A HA -0.206 4.136 4.320 0.036 0.000 0.219 108 A C -0.387 177.225 177.584 0.047 0.000 1.156 108 A CA 0.384 52.449 52.037 0.046 0.000 0.671 108 A CB -0.245 18.785 19.000 0.050 0.000 0.794 108 A HN -0.503 7.584 8.150 0.061 0.099 0.459 109 Q N -3.371 116.463 119.800 0.057 0.000 2.453 109 Q HA -0.411 3.969 4.340 0.067 0.000 0.330 109 Q C -1.711 174.321 176.000 0.054 0.000 1.417 109 Q CA 0.395 56.231 55.803 0.056 0.000 0.902 109 Q CB -1.985 26.780 28.738 0.044 0.000 1.154 109 Q HN -0.155 8.078 8.270 0.063 0.074 0.395 110 S N -0.072 115.667 115.700 0.064 0.000 2.525 110 S HA 0.057 4.554 4.470 0.045 0.000 0.278 110 S C -1.106 173.530 174.600 0.061 0.000 1.234 110 S CA -0.061 58.173 58.200 0.056 0.000 1.058 110 S CB 0.660 63.895 63.200 0.059 0.000 0.983 110 S HN 0.049 8.405 8.310 0.076 0.000 0.495 111 R N 3.910 124.438 120.500 0.046 0.000 2.621 111 R HA 0.247 4.622 4.340 0.058 0.000 0.292 111 R C -1.742 174.577 176.300 0.031 0.000 0.969 111 R CA -0.946 55.181 56.100 0.045 0.000 0.887 111 R CB 3.195 33.519 30.300 0.039 0.000 1.180 111 R HN 0.270 8.562 8.270 0.038 0.000 0.450 112 S N 1.721 117.437 115.700 0.028 0.000 2.593 112 S HA 0.089 4.565 4.470 0.011 0.000 0.297 112 S C -2.082 172.521 174.600 0.004 0.000 1.112 112 S CA -0.791 57.417 58.200 0.013 0.000 1.043 112 S CB 1.513 64.718 63.200 0.007 0.000 1.054 112 S HN 0.177 8.599 8.310 0.036 -0.090 0.516 113 I N 0.856 121.422 120.570 -0.006 0.000 2.984 113 I HA 0.281 4.628 4.170 -0.012 -0.185 0.303 113 I C -1.449 174.653 176.117 -0.026 0.000 1.381 113 I CA -1.098 60.194 61.300 -0.013 0.000 0.988 113 I CB 3.277 41.271 38.000 -0.009 0.000 1.307 113 I HN 0.139 8.344 8.210 -0.008 0.000 0.460 114 S N 4.504 120.184 115.700 -0.033 0.000 2.669 114 S HA 0.197 4.745 4.470 -0.053 -0.110 0.270 114 S C -1.082 173.487 174.600 -0.051 0.000 1.225 114 S CA 0.222 58.394 58.200 -0.047 0.000 0.991 114 S CB 0.775 63.945 63.200 -0.050 0.000 0.987 114 S HN 0.225 8.518 8.310 -0.028 0.000 0.552 115 Q N 0.433 120.191 119.800 -0.071 0.000 2.482 115 Q HA 0.369 4.674 4.340 -0.059 0.000 0.286 115 Q C -2.554 173.383 176.000 -0.104 0.000 1.007 115 Q CA -2.095 53.663 55.803 -0.075 0.000 0.801 115 Q CB 1.757 30.451 28.738 -0.073 0.000 1.455 115 Q HN 0.212 8.432 8.270 -0.084 0.000 0.398 116 P HA -0.161 4.200 4.420 -0.098 0.000 0.274 116 P C -1.370 175.803 177.300 -0.212 0.000 1.224 116 P CA 0.087 63.116 63.100 -0.119 0.000 0.803 116 P CB 0.402 32.049 31.700 -0.087 0.000 0.876 117 E N 0.738 120.781 120.200 -0.261 0.000 2.534 117 E HA -0.236 3.818 4.350 -0.492 0.000 0.264 117 E C -0.762 175.355 176.600 -0.804 0.000 0.981 117 E CA 1.396 57.477 56.400 -0.532 0.000 0.948 117 E CB -0.211 29.204 29.700 -0.475 0.000 0.934 117 E HN 0.222 8.478 8.360 -0.173 0.000 0.459 118 S N 0.835 115.855 115.700 -1.133 0.000 2.607 118 S HA 0.470 4.508 4.470 -0.720 0.000 0.273 118 S C -1.037 172.895 174.600 -1.113 0.000 1.148 118 S CA -0.467 57.198 58.200 -0.892 0.000 0.833 118 S CB 2.106 65.072 63.200 -0.390 0.000 1.130 118 S HN 0.055 7.682 8.310 -1.139 0.000 0.470 119 W N 1.413 122.710 121.300 -0.005 0.000 3.018 119 W HA 0.176 4.832 4.660 -0.007 0.000 0.352 119 W C -0.631 175.884 176.519 -0.005 0.000 1.230 119 W CA -0.007 57.335 57.345 -0.006 0.000 1.162 119 W CB 0.977 30.434 29.460 -0.006 0.000 1.483 119 W HN 0.449 8.627 8.180 -0.002 0.000 0.584 120 G N -0.305 108.642 108.800 0.245 0.000 2.176 120 G HA2 -0.360 3.668 3.960 0.113 0.000 0.232 120 G HA3 -0.360 3.670 3.960 0.117 0.000 0.232 120 G C 0.411 175.358 174.900 0.078 0.000 0.986 120 G CA -0.165 45.013 45.100 0.129 0.000 0.643 120 G HN 0.290 8.757 8.290 0.295 0.000 0.522 121 L N 1.301 122.567 121.223 0.071 0.000 2.093 121 L HA 0.034 4.388 4.340 0.024 0.000 0.208 121 L C 1.620 178.511 176.870 0.035 0.000 1.085 121 L CA 1.833 56.694 54.840 0.036 0.000 0.755 121 L CB -0.308 41.760 42.059 0.016 0.000 0.904 121 L HN -0.238 7.987 8.230 0.097 0.064 0.435 122 S N -1.071 114.658 115.700 0.049 0.000 2.442 122 S HA -0.273 4.213 4.470 0.026 0.000 0.236 122 S C 0.878 175.494 174.600 0.027 0.000 1.007 122 S CA 2.061 60.283 58.200 0.036 0.000 0.965 122 S CB -0.465 62.760 63.200 0.043 0.000 0.773 122 S HN 0.045 8.398 8.310 0.071 0.000 0.504 123 A N -0.069 122.771 122.820 0.032 0.000 1.986 123 A HA -0.178 4.154 4.320 0.021 0.000 0.220 123 A C 0.080 177.673 177.584 0.015 0.000 1.171 123 A CA 1.068 53.120 52.037 0.024 0.000 0.640 123 A CB -0.164 18.853 19.000 0.028 0.000 0.811 123 A HN -0.798 7.211 8.150 0.044 0.167 0.451 124 R N -3.713 116.795 120.500 0.014 0.000 3.184 124 R HA -0.265 4.078 4.340 0.006 0.000 0.257 124 R C -1.115 175.188 176.300 0.005 0.000 0.999 124 R CA 0.335 56.439 56.100 0.007 0.000 0.670 124 R CB -1.820 28.483 30.300 0.004 0.000 1.197 124 R HN -0.570 7.681 8.270 0.018 0.029 0.419 125 V N -1.691 118.226 119.914 0.006 0.000 2.508 125 V HA 0.225 4.347 4.120 0.004 0.000 0.281 125 V C -1.507 174.586 176.094 -0.001 0.000 1.041 125 V CA -3.268 59.034 62.300 0.004 0.000 1.016 125 V CB -0.245 31.581 31.823 0.006 0.000 0.984 125 V HN -0.040 8.154 8.190 0.008 0.000 0.478 126 P HA -0.078 4.336 4.420 -0.009 0.000 0.260 126 P C 0.045 177.340 177.300 -0.008 0.000 1.172 126 P CA 0.519 63.615 63.100 -0.007 0.000 0.760 126 P CB 0.221 31.918 31.700 -0.005 0.000 0.773 127 L N 2.166 123.381 121.223 -0.014 0.000 5.176 127 L HA -0.481 3.845 4.340 -0.023 0.000 0.053 127 L C 0.647 177.509 176.870 -0.012 0.000 2.911 127 L CA 0.794 55.624 54.840 -0.016 0.000 1.597 127 L CB -1.357 40.694 42.059 -0.014 0.000 2.854 127 L HN 0.115 8.335 8.230 -0.016 0.000 0.903 128 G N -2.941 105.854 108.800 -0.009 0.000 2.176 128 G HA2 -0.166 3.792 3.960 -0.004 0.000 0.253 128 G HA3 -0.166 3.791 3.960 -0.005 0.000 0.253 128 G C -1.055 173.841 174.900 -0.007 0.000 0.979 128 G CA -0.161 44.935 45.100 -0.006 0.000 0.641 128 G HN 0.069 8.354 8.290 -0.009 0.000 0.530 129 E N -0.947 119.247 120.200 -0.010 0.000 2.413 129 E HA 0.198 4.544 4.350 -0.007 0.000 0.277 129 E C -2.374 174.219 176.600 -0.012 0.000 0.958 129 E CA -2.724 53.669 56.400 -0.010 0.000 0.779 129 E CB 1.150 30.843 29.700 -0.012 0.000 1.278 129 E HN -0.313 7.973 8.360 -0.013 0.066 0.456 130 P HA -0.051 4.367 4.420 -0.004 0.000 0.271 130 P C 0.159 177.451 177.300 -0.013 0.000 1.233 130 P CA -0.259 62.837 63.100 -0.005 0.000 0.795 130 P CB 0.836 32.537 31.700 0.002 0.000 0.936 131 L N -2.343 118.875 121.223 -0.009 0.000 2.675 131 L HA -0.041 4.282 4.340 -0.029 0.000 0.239 131 L C -0.611 176.249 176.870 -0.018 0.000 1.151 131 L CA 1.317 56.148 54.840 -0.016 0.000 0.905 131 L CB -1.100 40.957 42.059 -0.004 0.000 1.057 131 L HN 0.193 8.422 8.230 -0.002 0.000 0.435 132 Q N -1.824 117.970 119.800 -0.011 0.000 2.528 132 Q HA 0.132 4.463 4.340 -0.015 0.000 0.289 132 Q C -0.836 175.160 176.000 -0.005 0.000 1.091 132 Q CA -1.359 54.442 55.803 -0.002 0.000 0.797 132 Q CB 2.898 31.654 28.738 0.029 0.000 1.466 132 Q HN -0.427 7.721 8.270 -0.008 0.117 0.436 133 R N 0.710 121.217 120.500 0.011 0.000 2.587 133 R HA 0.592 4.951 4.340 0.032 0.000 0.283 133 R C -1.988 174.347 176.300 0.058 0.000 1.472 133 R CA -3.288 52.837 56.100 0.042 0.000 1.578 133 R CB -0.261 30.090 30.300 0.085 0.000 1.130 133 R HN 0.127 8.408 8.270 0.018 0.000 0.602 134 P HA -0.181 4.280 4.420 0.069 0.000 0.264 134 P C -1.251 176.074 177.300 0.041 0.000 1.179 134 P CA 0.429 63.561 63.100 0.053 0.000 0.763 134 P CB 0.271 31.997 31.700 0.043 0.000 0.806 135 V N -0.391 119.562 119.914 0.064 0.000 2.384 135 V HA 0.201 4.297 4.120 -0.041 0.000 0.287 135 V C -0.784 175.376 176.094 0.109 0.000 1.020 135 V CA -1.783 60.541 62.300 0.040 0.000 0.850 135 V CB 2.476 34.334 31.823 0.058 0.000 0.987 135 V HN -0.244 8.006 8.190 0.100 0.000 0.436 136 D N 7.764 128.204 120.400 0.067 0.000 2.563 136 D HA -0.082 4.669 4.640 0.057 -0.076 0.229 136 D C -0.078 176.295 176.300 0.122 0.000 1.159 136 D CA 0.607 54.652 54.000 0.074 0.000 0.869 136 D CB -0.323 40.503 40.800 0.044 0.000 1.203 136 D HN 0.208 8.590 8.370 0.020 0.000 0.478 137 P HA -0.352 4.131 4.420 0.105 0.000 0.216 137 P C 0.738 178.111 177.300 0.122 0.000 1.157 137 P CA 2.197 65.356 63.100 0.098 0.000 0.880 137 P CB -0.040 31.697 31.700 0.061 0.000 0.791 138 C N -5.018 114.344 119.300 0.103 0.000 2.396 138 C HA -0.249 4.271 4.460 0.100 0.000 0.279 138 C C 2.058 177.146 174.990 0.162 0.000 1.229 138 C CA 2.403 61.486 59.018 0.108 0.000 1.801 138 C CB -1.552 26.226 27.740 0.063 0.000 2.050 138 C HN 0.057 8.329 8.230 0.078 0.005 0.491 139 H N 0.980 120.099 119.070 0.081 0.000 2.448 139 H HA -0.160 4.473 4.556 0.129 0.000 0.292 139 H C 1.549 176.977 175.328 0.167 0.000 1.035 139 H CA 3.458 59.575 56.048 0.115 0.000 1.349 139 H CB 0.500 30.300 29.762 0.063 0.000 1.425 139 H HN 0.071 8.350 8.280 0.233 0.141 0.539 140 V N 0.521 120.510 119.914 0.124 0.000 2.252 140 V HA -0.565 3.594 4.120 0.065 0.000 0.249 140 V C 1.796 177.906 176.094 0.026 0.000 1.056 140 V CA 4.950 67.294 62.300 0.073 0.000 1.022 140 V CB -0.672 31.220 31.823 0.114 0.000 0.641 140 V HN -0.172 8.007 8.190 0.194 0.128 0.445 141 H N 0.303 119.371 119.070 -0.003 0.000 2.357 141 H HA -0.326 4.216 4.556 -0.024 0.000 0.301 141 H C 1.517 176.823 175.328 -0.035 0.000 1.082 141 H CA 3.951 59.992 56.048 -0.011 0.000 1.342 141 H CB 0.067 29.840 29.762 0.018 0.000 1.389 141 H HN -0.283 8.123 8.280 0.209 0.000 0.511 142 Y N 0.933 121.120 120.300 -0.188 0.000 2.069 142 Y HA -0.462 3.962 4.550 -0.210 0.000 0.278 142 Y C 2.053 177.738 175.900 -0.358 0.000 1.175 142 Y CA 3.508 61.449 58.100 -0.264 0.000 1.134 142 Y CB -0.491 37.832 38.460 -0.227 0.000 0.965 142 Y HN -0.737 7.586 8.280 0.178 0.064 0.498 143 L N -2.771 118.200 121.223 -0.420 0.000 2.044 143 L HA -0.335 3.684 4.340 -0.533 0.000 0.205 143 L C 2.145 178.810 176.870 -0.342 0.000 1.075 143 L CA 3.249 57.841 54.840 -0.413 0.000 0.747 143 L CB -0.415 41.494 42.059 -0.250 0.000 0.903 143 L HN -0.105 7.899 8.230 -0.376 0.000 0.435 144 K N 0.058 120.300 120.400 -0.263 0.000 2.063 144 K HA -0.310 3.925 4.320 -0.141 0.000 0.208 144 K C 2.850 179.267 176.600 -0.305 0.000 1.048 144 K CA 2.468 58.632 56.287 -0.205 0.000 0.928 144 K CB -0.444 31.996 32.500 -0.100 0.000 0.713 144 K HN 0.112 8.227 8.250 -0.225 0.000 0.442 145 S N 0.587 115.959 115.700 -0.546 0.000 2.402 145 S HA -0.243 3.963 4.470 -0.439 0.000 0.233 145 S C 1.431 175.824 174.600 -0.345 0.000 1.030 145 S CA 3.163 61.035 58.200 -0.547 0.000 1.003 145 S CB -0.297 62.455 63.200 -0.745 0.000 0.813 145 S HN 0.765 8.533 8.310 -0.663 0.144 0.477 146 M N -1.354 118.015 119.600 -0.385 0.000 2.561 146 M HA 0.042 4.362 4.480 -0.266 0.000 0.238 146 M C -0.052 176.115 176.300 -0.222 0.000 1.131 146 M CA 0.062 55.168 55.300 -0.322 0.000 1.046 146 M CB 0.477 32.804 32.600 -0.455 0.000 1.532 146 M HN -0.645 7.221 8.290 -0.456 0.151 0.497 147 G N -2.392 106.294 108.800 -0.190 0.000 2.198 147 G HA2 -0.333 3.624 3.960 -0.093 0.000 0.260 147 G HA3 -0.333 3.574 3.960 -0.088 0.000 0.260 147 G C -1.096 173.754 174.900 -0.083 0.000 1.025 147 G CA 0.286 45.319 45.100 -0.111 0.000 0.769 147 G HN 0.242 8.206 8.290 -0.227 0.190 0.507 148 V N -0.687 119.158 119.914 -0.114 0.000 2.370 148 V HA 0.026 4.145 4.120 -0.001 0.000 0.283 148 V C -1.043 175.056 176.094 0.010 0.000 1.023 148 V CA -1.261 61.012 62.300 -0.045 0.000 0.857 148 V CB 0.519 32.288 31.823 -0.089 0.000 0.985 148 V HN -0.607 7.445 8.190 -0.179 0.030 0.443 149 A N 8.037 130.900 122.820 0.071 0.000 1.970 149 A HA -0.069 4.289 4.320 0.063 0.000 0.216 149 A C -0.635 177.041 177.584 0.153 0.000 1.170 149 A CA 1.653 53.747 52.037 0.095 0.000 0.645 149 A CB 0.859 19.918 19.000 0.097 0.000 0.816 149 A HN 0.492 8.695 8.150 0.088 0.000 0.447 150 S N -5.672 110.159 115.700 0.219 0.000 2.697 150 S HA 0.306 4.932 4.470 0.260 0.000 0.289 150 S C -2.052 172.617 174.600 0.115 0.000 1.149 150 S CA -1.243 57.133 58.200 0.294 0.000 0.850 150 S CB 2.010 65.523 63.200 0.523 0.000 1.151 150 S HN -0.816 7.628 8.310 0.222 0.000 0.491 151 S N -0.781 114.991 115.700 0.119 0.000 2.548 151 S HA 0.531 4.854 4.470 -0.524 -0.167 0.278 151 S C -2.429 172.045 174.600 -0.209 0.000 1.150 151 S CA -0.441 57.638 58.200 -0.202 0.000 0.907 151 S CB 3.177 66.305 63.200 -0.119 0.000 1.108 151 S HN -0.088 8.381 8.310 0.265 0.000 0.459 152 L N 3.126 124.165 121.223 -0.306 0.000 2.346 152 L HA 0.418 4.538 4.340 -0.366 0.000 0.276 152 L C -2.097 174.664 176.870 -0.181 0.000 1.006 152 L CA -0.989 53.668 54.840 -0.305 0.000 0.817 152 L CB 3.800 45.675 42.059 -0.307 0.000 1.272 152 L HN -0.166 7.841 8.230 -0.371 0.000 0.421 153 V N -0.147 119.710 119.914 -0.095 0.000 3.040 153 V HA 0.606 4.846 4.120 -0.023 -0.134 0.312 153 V C -1.472 174.643 176.094 0.036 0.000 1.115 153 V CA -2.481 59.824 62.300 0.007 0.000 0.998 153 V CB 3.397 35.298 31.823 0.130 0.000 1.042 153 V HN -0.452 7.669 8.190 -0.115 0.000 0.433 154 V N 1.684 121.638 119.914 0.067 0.000 2.757 154 V HA 0.265 4.421 4.120 0.061 0.000 0.262 154 V C -2.250 173.899 176.094 0.092 0.000 0.971 154 V CA -2.256 60.082 62.300 0.063 0.000 0.906 154 V CB 2.654 34.492 31.823 0.026 0.000 1.056 154 V HN 0.051 8.178 8.190 0.069 0.105 0.489 155 P HA -0.067 4.425 4.420 0.120 0.000 0.262 155 P C -1.153 176.206 177.300 0.099 0.000 1.182 155 P CA 0.053 63.227 63.100 0.123 0.000 0.761 155 P CB 0.168 31.958 31.700 0.150 0.000 0.795 156 L N 4.507 125.796 121.223 0.110 0.000 2.295 156 L HA 0.074 4.477 4.340 0.105 0.000 0.288 156 L C -0.585 176.370 176.870 0.141 0.000 1.079 156 L CA -0.812 54.103 54.840 0.124 0.000 0.830 156 L CB -0.677 41.467 42.059 0.141 0.000 1.200 156 L HN -0.241 8.061 8.230 0.120 0.000 0.438 157 M N 1.039 120.711 119.600 0.120 0.000 2.464 157 M HA 0.551 5.154 4.480 0.064 -0.085 0.308 157 M C -1.861 174.537 176.300 0.162 0.000 1.127 157 M CA -1.248 54.108 55.300 0.093 0.000 0.913 157 M CB 3.879 36.490 32.600 0.017 0.000 1.689 157 M HN -0.135 8.218 8.290 0.104 0.000 0.445 158 H N 4.879 123.987 119.070 0.063 0.000 2.595 158 H HA 0.402 4.886 4.556 -0.120 0.000 0.313 158 H C -0.616 174.669 175.328 -0.073 0.000 1.023 158 H CA -0.341 55.697 56.048 -0.018 0.000 1.218 158 H CB 2.304 32.208 29.762 0.238 0.000 1.403 158 H HN 0.535 8.791 8.280 0.122 0.096 0.477 159 H N 6.149 125.041 119.070 -0.297 0.000 1.452 159 H HA -0.426 4.009 4.556 -0.201 0.000 0.090 159 H C 0.184 175.447 175.328 -0.108 0.000 0.629 159 H CA 2.340 58.250 56.048 -0.230 0.000 1.901 159 H CB -1.691 27.910 29.762 -0.268 0.000 2.257 159 H HN 0.717 8.671 8.280 -0.543 0.000 0.961 160 Q N 1.594 121.442 119.800 0.080 0.000 2.319 160 Q HA 0.001 4.335 4.340 -0.010 0.000 0.202 160 Q C -0.371 175.585 176.000 -0.073 0.000 0.896 160 Q CA 0.378 56.179 55.803 -0.004 0.000 0.942 160 Q CB 0.417 29.151 28.738 -0.006 0.000 1.083 160 Q HN 0.290 8.653 8.270 0.155 0.000 0.510 161 E N 0.993 121.120 120.200 -0.121 0.000 2.207 161 E HA 0.275 4.441 4.350 -0.307 0.000 0.270 161 E C -2.707 173.630 176.600 -0.438 0.000 0.927 161 E CA -1.098 55.093 56.400 -0.347 0.000 0.799 161 E CB 2.678 32.047 29.700 -0.551 0.000 1.172 161 E HN -0.038 8.126 8.360 -0.045 0.169 0.404 162 L N 3.763 124.695 121.223 -0.486 0.000 2.280 162 L HA 0.180 4.518 4.340 -0.193 -0.113 0.287 162 L C -0.191 176.454 176.870 -0.376 0.000 1.023 162 L CA 0.169 54.818 54.840 -0.319 0.000 0.819 162 L CB 0.442 42.389 42.059 -0.188 0.000 1.212 162 L HN 0.457 8.396 8.230 -0.485 0.000 0.420 163 W N 4.096 125.433 121.300 0.061 0.000 2.762 163 W HA 0.076 4.796 4.660 0.100 0.000 0.265 163 W C -0.546 176.011 176.519 0.064 0.000 1.263 163 W CA 0.397 57.783 57.345 0.069 0.000 1.411 163 W CB 1.748 31.230 29.460 0.036 0.000 1.065 163 W HN 0.435 8.660 8.180 0.074 0.000 0.609 164 G N -5.311 103.639 108.800 0.250 0.000 2.634 164 G HA2 0.530 4.595 3.960 0.160 0.000 0.309 164 G HA3 0.530 4.609 3.960 0.159 -0.024 0.309 164 G C -2.862 172.158 174.900 0.200 0.000 1.299 164 G CA -0.127 45.086 45.100 0.188 0.000 0.798 164 G HN -0.703 7.716 8.290 0.215 0.000 0.490 165 L N -0.873 120.510 121.223 0.267 0.000 2.470 165 L HA 0.445 4.878 4.340 0.154 0.000 0.268 165 L C -2.197 174.781 176.870 0.180 0.000 0.964 165 L CA -0.330 54.642 54.840 0.220 0.000 0.839 165 L CB 4.043 46.247 42.059 0.242 0.000 1.276 165 L HN 0.922 9.205 8.230 0.303 0.129 0.403 166 L N 5.997 127.290 121.223 0.116 0.000 2.312 166 L HA 0.426 4.818 4.340 0.088 0.000 0.281 166 L C -1.480 175.414 176.870 0.039 0.000 1.070 166 L CA -0.397 54.490 54.840 0.079 0.000 0.805 166 L CB 2.068 44.163 42.059 0.061 0.000 1.174 166 L HN 0.291 8.588 8.230 0.111 0.000 0.434 167 V N 6.882 126.798 119.914 0.003 0.000 2.817 167 V HA 0.661 4.888 4.120 -0.114 -0.175 0.303 167 V C -2.765 173.221 176.094 -0.180 0.000 1.151 167 V CA -1.190 61.053 62.300 -0.094 0.000 0.929 167 V CB 4.387 36.184 31.823 -0.043 0.000 1.030 167 V HN -0.077 8.126 8.190 0.022 0.000 0.427 168 S N 7.189 122.686 115.700 -0.337 0.000 2.532 168 S HA 0.819 5.350 4.470 -0.160 -0.158 0.301 168 S C -1.085 173.087 174.600 -0.713 0.000 1.083 168 S CA -1.622 56.392 58.200 -0.309 0.000 1.025 168 S CB 2.648 65.786 63.200 -0.103 0.000 1.056 168 S HN 0.996 8.982 8.310 -0.356 0.110 0.494 169 H N 3.573 122.512 119.070 -0.218 0.000 2.806 169 H HA 0.691 5.040 4.556 -0.591 -0.148 0.367 169 H C -1.461 173.678 175.328 -0.316 0.000 1.136 169 H CA -0.838 54.985 56.048 -0.376 0.000 1.178 169 H CB 4.080 33.727 29.762 -0.192 0.000 1.718 169 H HN 1.134 9.238 8.280 -0.092 0.121 0.540 170 H N -2.229 116.943 119.070 0.170 0.000 3.046 170 H HA 0.331 4.938 4.556 0.086 0.000 0.361 170 H C -2.003 173.375 175.328 0.083 0.000 1.235 170 H CA -1.277 54.834 56.048 0.105 0.000 1.146 170 H CB 3.431 33.248 29.762 0.093 0.000 1.859 170 H HN -0.196 7.769 8.280 -0.525 0.000 0.548 171 A N 1.714 124.659 122.820 0.208 0.000 3.056 171 A HA 0.090 4.474 4.320 0.107 0.000 0.274 171 A C -1.230 176.424 177.584 0.117 0.000 1.661 171 A CA -0.432 51.679 52.037 0.124 0.000 1.363 171 A CB -1.077 17.962 19.000 0.065 0.000 1.139 171 A HN 0.322 8.740 8.150 0.187 -0.156 0.598 172 E N 0.014 120.314 120.200 0.167 0.000 2.597 172 E HA 0.255 4.635 4.350 0.051 0.000 0.310 172 E C -2.887 173.773 176.600 0.100 0.000 0.970 172 E CA -2.204 54.246 56.400 0.085 0.000 0.819 172 E CB 1.054 30.757 29.700 0.005 0.000 1.267 172 E HN -0.595 7.877 8.360 0.259 0.043 0.411 173 P HA 0.234 4.793 4.420 0.089 -0.085 0.232 173 P C -1.595 175.674 177.300 -0.051 0.000 1.814 173 P CA -0.550 62.572 63.100 0.036 0.000 1.085 173 P CB -0.930 30.791 31.700 0.036 0.000 1.901 174 R N 2.711 123.120 120.500 -0.152 0.000 2.664 174 R HA 0.413 4.635 4.340 -0.197 0.000 0.286 174 R C -2.094 173.886 176.300 -0.533 0.000 0.967 174 R CA -3.795 52.128 56.100 -0.294 0.000 0.933 174 R CB 0.835 30.933 30.300 -0.336 0.000 1.146 174 R HN -0.740 7.421 8.270 -0.123 0.034 0.468 175 P HA 0.135 4.393 4.420 -0.269 0.000 0.275 175 P C -1.535 175.451 177.300 -0.523 0.000 1.228 175 P CA -0.311 62.575 63.100 -0.356 0.000 0.786 175 P CB 0.727 32.343 31.700 -0.139 0.000 0.927 176 Y N -0.619 119.683 120.300 0.005 0.000 2.457 176 Y HA 0.207 4.751 4.550 -0.009 0.000 0.333 176 Y C 0.207 176.109 175.900 0.002 0.000 1.119 176 Y CA -0.960 57.142 58.100 0.003 0.000 1.143 176 Y CB 1.643 40.114 38.460 0.019 0.000 1.230 176 Y HN -0.165 8.182 8.280 0.113 0.000 0.469 177 S N 0.651 116.444 115.700 0.156 0.000 2.508 177 S HA 0.101 4.612 4.470 0.068 0.000 0.284 177 S C 0.653 175.307 174.600 0.090 0.000 1.192 177 S CA -1.332 56.921 58.200 0.089 0.000 1.070 177 S CB 2.076 65.309 63.200 0.055 0.000 1.004 177 S HN 0.079 8.495 8.310 0.177 0.000 0.493 178 Q N 4.631 124.467 119.800 0.060 0.000 2.119 178 Q HA -0.299 4.065 4.340 0.040 0.000 0.201 178 Q C 1.728 177.752 176.000 0.040 0.000 0.972 178 Q CA 3.317 59.145 55.803 0.041 0.000 0.847 178 Q CB 0.157 28.909 28.738 0.024 0.000 0.903 178 Q HN 0.788 9.088 8.270 0.050 0.000 0.433 179 E N -1.565 118.660 120.200 0.042 0.000 2.031 179 E HA -0.334 4.036 4.350 0.033 0.000 0.193 179 E C 2.332 178.970 176.600 0.063 0.000 0.994 179 E CA 3.268 59.694 56.400 0.043 0.000 0.800 179 E CB -0.408 29.315 29.700 0.039 0.000 0.752 179 E HN 0.340 8.724 8.360 0.040 0.000 0.447 180 E N -1.281 118.969 120.200 0.083 0.000 2.150 180 E HA -0.290 4.151 4.350 0.152 0.000 0.193 180 E C 2.558 179.239 176.600 0.135 0.000 0.985 180 E CA 2.085 58.563 56.400 0.131 0.000 0.814 180 E CB -0.176 29.603 29.700 0.132 0.000 0.752 180 E HN -0.723 7.681 8.360 0.074 0.000 0.466 181 L N -0.268 121.012 121.223 0.096 0.000 2.042 181 L HA -0.375 4.014 4.340 0.081 0.000 0.210 181 L C 1.598 178.491 176.870 0.038 0.000 1.076 181 L CA 3.125 58.005 54.840 0.066 0.000 0.749 181 L CB -0.308 41.773 42.059 0.037 0.000 0.893 181 L HN -0.511 7.673 8.230 0.087 0.099 0.432 182 Q N -1.243 118.575 119.800 0.030 0.000 2.020 182 Q HA -0.347 4.161 4.340 -0.001 -0.169 0.202 182 Q C 2.619 178.619 176.000 0.000 0.000 0.982 182 Q CA 3.014 58.823 55.803 0.010 0.000 0.838 182 Q CB -0.037 28.706 28.738 0.009 0.000 0.899 182 Q HN -0.515 7.777 8.270 0.037 0.000 0.423 183 V N -0.514 119.405 119.914 0.010 0.000 2.277 183 V HA -0.460 3.634 4.120 -0.042 0.000 0.253 183 V C 2.372 178.410 176.094 -0.093 0.000 1.067 183 V CA 4.026 66.304 62.300 -0.035 0.000 1.047 183 V CB -0.911 30.906 31.823 -0.009 0.000 0.649 183 V HN -0.729 7.482 8.190 0.036 0.000 0.447 184 V N -0.908 118.974 119.914 -0.053 0.000 2.453 184 V HA -0.437 3.582 4.120 -0.169 0.000 0.247 184 V C 1.830 177.901 176.094 -0.038 0.000 1.048 184 V CA 3.897 66.155 62.300 -0.069 0.000 1.049 184 V CB -0.874 30.970 31.823 0.035 0.000 0.672 184 V HN -0.686 7.515 8.190 0.021 0.001 0.457 185 Q N 0.610 120.399 119.800 -0.017 0.000 2.173 185 Q HA -0.356 3.978 4.340 -0.009 0.000 0.208 185 Q C 2.979 178.969 176.000 -0.018 0.000 0.989 185 Q CA 3.564 59.358 55.803 -0.014 0.000 0.872 185 Q CB -0.145 28.585 28.738 -0.014 0.000 0.909 185 Q HN 0.124 8.195 8.270 -0.005 0.196 0.420 186 L N -2.161 119.043 121.223 -0.031 0.000 2.072 186 L HA -0.285 4.045 4.340 -0.017 0.000 0.205 186 L C 1.966 178.811 176.870 -0.042 0.000 1.079 186 L CA 2.439 57.260 54.840 -0.032 0.000 0.752 186 L CB -0.203 41.833 42.059 -0.039 0.000 0.906 186 L HN 0.252 8.351 8.230 -0.036 0.110 0.436 187 L N -0.532 120.647 121.223 -0.072 0.000 2.129 187 L HA -0.412 3.876 4.340 -0.086 0.000 0.212 187 L C 1.563 178.409 176.870 -0.039 0.000 1.087 187 L CA 2.973 57.764 54.840 -0.083 0.000 0.757 187 L CB -0.558 41.418 42.059 -0.138 0.000 0.896 187 L HN -0.518 7.561 8.230 -0.088 0.098 0.434 188 A N -2.628 120.180 122.820 -0.020 0.000 1.970 188 A HA -0.334 3.991 4.320 0.008 0.000 0.216 188 A C 1.537 179.130 177.584 0.015 0.000 1.170 188 A CA 3.166 55.206 52.037 0.005 0.000 0.645 188 A CB -0.939 18.071 19.000 0.016 0.000 0.816 188 A HN 0.214 8.225 8.150 -0.025 0.124 0.447 189 D N -0.377 120.028 120.400 0.009 0.000 2.123 189 D HA -0.283 4.378 4.640 0.034 0.000 0.196 189 D C 2.163 178.476 176.300 0.021 0.000 0.992 189 D CA 2.775 56.787 54.000 0.020 0.000 0.833 189 D CB -0.189 40.619 40.800 0.012 0.000 0.954 189 D HN -0.589 7.638 8.370 -0.002 0.141 0.455 190 Q N -1.170 118.633 119.800 0.004 0.000 2.045 190 Q HA -0.345 3.998 4.340 0.005 0.000 0.206 190 Q C 3.072 179.075 176.000 0.004 0.000 0.991 190 Q CA 2.945 58.748 55.803 0.000 0.000 0.851 190 Q CB 0.087 28.816 28.738 -0.015 0.000 0.911 190 Q HN -0.495 7.765 8.270 -0.007 0.006 0.418 191 V N 0.769 120.685 119.914 0.005 0.000 2.324 191 V HA -0.563 3.554 4.120 -0.006 0.000 0.250 191 V C 1.578 177.680 176.094 0.015 0.000 1.060 191 V CA 3.879 66.183 62.300 0.006 0.000 1.042 191 V CB -0.375 31.456 31.823 0.014 0.000 0.650 191 V HN -0.690 7.501 8.190 0.002 0.000 0.450 192 S N -0.220 115.506 115.700 0.043 0.000 2.420 192 S HA -0.339 4.195 4.470 0.105 0.000 0.237 192 S C 1.986 176.621 174.600 0.057 0.000 1.023 192 S CA 3.833 62.083 58.200 0.083 0.000 0.991 192 S CB -0.674 62.589 63.200 0.105 0.000 0.792 192 S HN 0.013 8.253 8.310 0.041 0.095 0.488 193 I N 0.206 120.793 120.570 0.029 0.000 2.406 193 I HA -0.204 3.978 4.170 0.019 0.000 0.249 193 I C 1.941 178.017 176.117 -0.068 0.000 1.122 193 I CA 0.911 62.211 61.300 -0.000 0.000 1.431 193 I CB -1.156 36.855 38.000 0.018 0.000 1.087 193 I HN 0.076 8.137 8.210 0.029 0.166 0.424 194 A N 1.343 124.130 122.820 -0.055 0.000 1.873 194 A HA -0.229 4.047 4.320 -0.074 0.000 0.215 194 A C 2.347 179.858 177.584 -0.121 0.000 1.186 194 A CA 3.095 55.088 52.037 -0.074 0.000 0.616 194 A CB -0.750 18.222 19.000 -0.047 0.000 0.823 194 A HN -0.823 7.199 8.150 -0.029 0.111 0.442 195 I N -1.896 118.602 120.570 -0.120 0.000 2.361 195 I HA -0.432 3.632 4.170 -0.176 0.000 0.251 195 I C 1.127 177.033 176.117 -0.352 0.000 1.133 195 I CA 1.904 63.093 61.300 -0.186 0.000 1.413 195 I CB -0.208 37.732 38.000 -0.100 0.000 1.073 195 I HN 0.527 8.584 8.210 -0.073 0.109 0.424 196 A N -0.474 122.117 122.820 -0.381 0.000 1.843 196 A HA -0.335 3.536 4.320 -0.749 0.000 0.213 196 A C 1.549 178.876 177.584 -0.428 0.000 1.202 196 A CA 3.082 54.736 52.037 -0.638 0.000 0.607 196 A CB -0.732 17.552 19.000 -1.194 0.000 0.847 196 A HN -0.761 7.217 8.150 -0.262 0.015 0.445 197 Q N -0.977 118.657 119.800 -0.276 0.000 2.234 197 Q HA -0.339 3.914 4.340 -0.144 0.000 0.206 197 Q C 2.051 177.955 176.000 -0.160 0.000 0.980 197 Q CA 2.877 58.581 55.803 -0.166 0.000 0.869 197 Q CB -0.017 28.662 28.738 -0.100 0.000 0.912 197 Q HN 0.526 8.523 8.270 -0.248 0.125 0.436 198 A N -2.225 120.481 122.820 -0.190 0.000 1.970 198 A HA -0.150 4.093 4.320 -0.127 0.000 0.216 198 A C 1.684 179.148 177.584 -0.200 0.000 1.170 198 A CA 2.761 54.697 52.037 -0.168 0.000 0.645 198 A CB -0.878 18.026 19.000 -0.161 0.000 0.816 198 A HN 0.126 7.927 8.150 -0.217 0.219 0.447 199 E N -0.294 119.731 120.200 -0.291 0.000 2.118 199 E HA -0.287 3.880 4.350 -0.306 0.000 0.195 199 E C 1.713 178.193 176.600 -0.201 0.000 0.992 199 E CA 2.523 58.732 56.400 -0.318 0.000 0.804 199 E CB -0.337 29.061 29.700 -0.503 0.000 0.741 199 E HN -0.542 7.506 8.360 -0.347 0.103 0.458 200 L N -0.664 120.461 121.223 -0.163 0.000 1.988 200 L HA -0.242 4.049 4.340 -0.082 0.000 0.207 200 L C 2.327 179.149 176.870 -0.079 0.000 1.071 200 L CA 3.024 57.806 54.840 -0.097 0.000 0.744 200 L CB -0.306 41.711 42.059 -0.071 0.000 0.893 200 L HN -0.582 7.525 8.230 -0.189 0.010 0.433 201 S N -1.612 114.039 115.700 -0.081 0.000 2.370 201 S HA -0.251 4.189 4.470 -0.050 0.000 0.226 201 S C 0.696 175.256 174.600 -0.066 0.000 1.033 201 S CA 2.613 60.774 58.200 -0.064 0.000 1.011 201 S CB 0.347 63.510 63.200 -0.063 0.000 0.852 201 S HN -0.651 7.603 8.310 -0.094 0.000 0.457 202 L N 0.000 121.171 121.223 -0.086 0.000 2.949 202 L HA 0.000 4.301 4.340 -0.065 0.000 0.249 202 L CA 0.000 54.791 54.840 -0.082 0.000 0.813 202 L CB 0.000 42.001 42.059 -0.096 0.000 0.961 202 L HN 0.000 8.162 8.230 -0.106 0.004 0.502