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 2koi_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 4.296 4.340 -0.074 0.000 0.249 31 L C 0.000 176.841 176.870 -0.048 0.000 1.165 31 L CA 0.000 54.801 54.840 -0.065 0.000 0.813 31 L CB 0.000 42.009 42.059 -0.084 0.000 0.961 32 D N -0.330 120.048 120.400 -0.037 0.000 2.183 32 D HA -0.091 4.535 4.640 -0.022 0.000 0.203 32 D C 2.411 178.702 176.300 -0.015 0.000 0.969 32 D CA 2.905 56.892 54.000 -0.023 0.000 0.842 32 D CB -0.329 40.461 40.800 -0.016 0.000 0.957 32 D HN 0.295 8.642 8.370 -0.038 0.000 0.484 33 Q N -0.513 119.277 119.800 -0.018 0.000 2.062 33 Q HA -0.225 4.112 4.340 -0.006 0.000 0.196 33 Q C 2.234 178.226 176.000 -0.013 0.000 0.967 33 Q CA 3.182 58.978 55.803 -0.012 0.000 0.832 33 Q CB 0.067 28.797 28.738 -0.014 0.000 0.899 33 Q HN 0.219 8.458 8.270 -0.023 0.018 0.442 34 I N -0.595 119.962 120.570 -0.022 0.000 2.127 34 I HA -0.514 3.644 4.170 -0.020 0.000 0.241 34 I C 1.884 177.990 176.117 -0.018 0.000 1.075 34 I CA 3.312 64.598 61.300 -0.024 0.000 1.334 34 I CB -0.404 37.574 38.000 -0.037 0.000 1.040 34 I HN -0.134 8.059 8.210 -0.028 0.000 0.405 35 L N -2.748 118.463 121.223 -0.020 0.000 2.127 35 L HA -0.315 4.017 4.340 -0.013 0.000 0.211 35 L C 2.607 179.479 176.870 0.004 0.000 1.089 35 L CA 2.833 57.666 54.840 -0.011 0.000 0.757 35 L CB -0.655 41.396 42.059 -0.013 0.000 0.899 35 L HN -0.598 7.615 8.230 -0.027 0.000 0.434 36 R N -2.318 118.185 120.500 0.005 0.000 2.092 36 R HA -0.352 4.002 4.340 0.022 0.000 0.231 36 R C 2.190 178.498 176.300 0.013 0.000 1.119 36 R CA 3.386 59.494 56.100 0.014 0.000 0.970 36 R CB -0.513 29.794 30.300 0.012 0.000 0.864 36 R HN -0.687 7.457 8.270 -0.001 0.125 0.440 37 A N -1.944 120.879 122.820 0.006 0.000 1.968 37 A HA -0.168 4.158 4.320 0.010 0.000 0.217 37 A C 1.516 179.105 177.584 0.008 0.000 1.169 37 A CA 2.856 54.897 52.037 0.006 0.000 0.638 37 A CB -0.744 18.256 19.000 0.000 0.000 0.812 37 A HN -0.585 7.476 8.150 0.001 0.090 0.446 38 T N -1.690 112.867 114.554 0.004 0.000 2.788 38 T HA -0.327 4.022 4.350 -0.002 0.000 0.268 38 T C 1.614 176.322 174.700 0.014 0.000 1.044 38 T CA 4.114 66.215 62.100 0.003 0.000 1.139 38 T CB -0.177 68.689 68.868 -0.004 0.000 0.867 38 T HN -0.252 7.879 8.240 0.000 0.109 0.454 39 V N 1.135 121.062 119.914 0.022 0.000 2.809 39 V HA -0.227 3.912 4.120 0.032 0.000 0.256 39 V C 1.174 177.290 176.094 0.036 0.000 1.080 39 V CA 1.983 64.302 62.300 0.032 0.000 1.102 39 V CB -0.450 31.396 31.823 0.039 0.000 0.705 39 V HN -0.582 7.620 8.190 0.020 0.000 0.475 40 E N 0.001 120.220 120.200 0.031 0.000 2.028 40 E HA -0.351 4.020 4.350 0.035 0.000 0.191 40 E C 2.372 178.997 176.600 0.043 0.000 0.988 40 E CA 3.757 60.178 56.400 0.034 0.000 0.799 40 E CB -0.293 29.423 29.700 0.027 0.000 0.755 40 E HN -0.705 7.534 8.360 0.026 0.136 0.447 41 E N -1.143 119.082 120.200 0.040 0.000 2.150 41 E HA -0.197 4.190 4.350 0.063 0.000 0.193 41 E C 2.535 179.185 176.600 0.084 0.000 0.985 41 E CA 2.629 59.062 56.400 0.055 0.000 0.814 41 E CB -0.489 29.231 29.700 0.034 0.000 0.752 41 E HN -0.766 7.612 8.360 0.030 0.000 0.466 42 V N 0.619 120.572 119.914 0.064 0.000 2.233 42 V HA -0.492 3.680 4.120 0.086 0.000 0.247 42 V C 1.577 177.749 176.094 0.129 0.000 1.050 42 V CA 4.362 66.713 62.300 0.085 0.000 1.010 42 V CB -0.338 31.514 31.823 0.049 0.000 0.637 42 V HN -0.551 7.665 8.190 0.043 0.000 0.444 43 R N -0.707 119.844 120.500 0.085 0.000 2.103 43 R HA -0.434 3.944 4.340 0.063 0.000 0.242 43 R C 1.933 178.282 176.300 0.082 0.000 1.142 43 R CA 3.191 59.333 56.100 0.070 0.000 0.960 43 R CB -0.333 29.994 30.300 0.044 0.000 0.858 43 R HN -0.640 7.669 8.270 0.065 0.000 0.439 44 A N -1.574 121.300 122.820 0.091 0.000 1.917 44 A HA -0.277 4.073 4.320 0.050 0.000 0.219 44 A C 1.757 179.404 177.584 0.105 0.000 1.182 44 A CA 2.738 54.825 52.037 0.083 0.000 0.633 44 A CB -0.945 18.107 19.000 0.086 0.000 0.819 44 A HN -0.688 7.509 8.150 0.086 0.004 0.448 45 F N -2.358 117.604 119.950 0.020 0.000 2.186 45 F HA -0.285 4.256 4.527 0.023 0.000 0.299 45 F C 0.863 176.684 175.800 0.036 0.000 1.090 45 F CA 2.666 60.681 58.000 0.025 0.000 1.307 45 F CB 0.765 39.779 39.000 0.024 0.000 1.019 45 F HN -0.692 7.693 8.300 0.292 0.090 0.489 46 L N -5.682 115.614 121.223 0.121 0.000 2.513 46 L HA 0.159 4.483 4.340 -0.027 0.000 0.222 46 L C 0.550 177.433 176.870 0.022 0.000 1.096 46 L CA -0.037 54.842 54.840 0.064 0.000 0.857 46 L CB 0.731 42.896 42.059 0.176 0.000 1.026 46 L HN -0.594 7.675 8.230 0.212 0.088 0.469 47 G N -0.745 108.061 108.800 0.010 0.000 2.296 47 G HA2 -0.451 3.524 3.960 0.003 0.000 0.282 47 G HA3 -0.451 3.501 3.960 -0.013 0.000 0.282 47 G C -0.014 174.883 174.900 -0.005 0.000 1.014 47 G CA 0.962 46.061 45.100 -0.001 0.000 0.812 47 G HN 0.515 8.582 8.290 0.030 0.241 0.508 48 T N 0.016 114.553 114.554 -0.029 0.000 2.913 48 T HA -0.088 4.165 4.350 -0.162 0.000 0.297 48 T C -0.288 174.348 174.700 -0.107 0.000 1.029 48 T CA 1.080 63.085 62.100 -0.158 0.000 1.104 48 T CB 0.783 69.440 68.868 -0.351 0.000 0.964 48 T HN -0.831 7.369 8.240 -0.000 0.040 0.532 49 D N 2.897 123.229 120.400 -0.113 0.000 2.133 49 D HA -0.313 4.315 4.640 -0.020 0.000 0.195 49 D C -0.867 175.433 176.300 -0.001 0.000 0.997 49 D CA 3.415 57.393 54.000 -0.038 0.000 0.840 49 D CB 0.482 41.268 40.800 -0.023 0.000 0.947 49 D HN 0.298 8.568 8.370 -0.167 0.000 0.452 50 R N -3.623 116.895 120.500 0.029 0.000 2.535 50 R HA 0.567 5.157 4.340 0.081 -0.202 0.274 50 R C -2.740 173.667 176.300 0.177 0.000 1.090 50 R CA -0.632 55.550 56.100 0.136 0.000 0.930 50 R CB 3.434 33.842 30.300 0.181 0.000 1.223 50 R HN -0.875 7.373 8.270 -0.027 0.006 0.441 51 V N 5.998 125.973 119.914 0.101 0.000 2.686 51 V HA 0.859 5.136 4.120 -0.059 -0.192 0.306 51 V C -1.850 174.290 176.094 0.077 0.000 1.065 51 V CA -1.764 60.555 62.300 0.031 0.000 0.894 51 V CB 3.266 35.090 31.823 0.003 0.000 1.004 51 V HN -0.157 8.087 8.190 0.091 0.000 0.424 52 K N 4.380 124.827 120.400 0.078 0.000 2.477 52 K HA 0.734 5.231 4.320 0.090 -0.122 0.255 52 K C -2.185 174.465 176.600 0.084 0.000 0.952 52 K CA -2.154 54.193 56.287 0.100 0.000 0.826 52 K CB 4.223 36.811 32.500 0.145 0.000 1.331 52 K HN 0.101 8.369 8.250 0.031 0.000 0.437 53 V N 0.567 120.540 119.914 0.098 0.000 2.539 53 V HA 0.076 4.249 4.120 0.088 0.000 0.292 53 V C -1.894 174.311 176.094 0.185 0.000 1.045 53 V CA -0.915 61.446 62.300 0.103 0.000 0.945 53 V CB 1.614 33.475 31.823 0.062 0.000 0.993 53 V HN 0.261 8.399 8.190 0.097 0.110 0.464 54 Y N 7.462 127.761 120.300 -0.001 0.000 2.391 54 Y HA 0.416 5.124 4.550 0.018 -0.147 0.341 54 Y C -1.843 174.078 175.900 0.036 0.000 0.965 54 Y CA -1.773 56.328 58.100 0.002 0.000 1.067 54 Y CB 3.859 42.288 38.460 -0.051 0.000 1.199 54 Y HN -0.201 8.188 8.280 0.182 0.000 0.450 55 R N 5.548 125.780 120.500 -0.447 0.000 2.604 55 R HA 0.269 4.686 4.340 -0.027 -0.093 0.287 55 R C -1.835 174.285 176.300 -0.300 0.000 0.970 55 R CA -1.340 54.624 56.100 -0.227 0.000 0.946 55 R CB 3.260 33.466 30.300 -0.157 0.000 1.127 55 R HN -0.044 7.788 8.270 -0.731 0.000 0.473 56 F N 4.304 124.162 119.950 -0.154 0.000 2.415 56 F HA 0.072 4.467 4.527 -0.220 0.000 0.348 56 F C -1.668 174.049 175.800 -0.138 0.000 1.119 56 F CA -0.288 57.624 58.000 -0.146 0.000 1.069 56 F CB 2.170 41.133 39.000 -0.062 0.000 1.124 56 F HN 0.925 9.259 8.300 0.239 0.109 0.472 57 D N 8.123 127.867 120.400 -1.093 0.000 2.229 57 D HA 0.424 4.841 4.640 -0.370 0.000 0.249 57 D C -0.396 175.374 176.300 -0.882 0.000 1.027 57 D CA -1.744 51.732 54.000 -0.874 0.000 0.923 57 D CB 0.624 40.550 40.800 -1.458 0.000 1.174 57 D HN 0.043 7.570 8.370 -1.404 0.000 0.443 58 P HA -0.169 4.379 4.420 0.212 0.000 0.220 58 P C 0.112 177.399 177.300 -0.022 0.000 1.144 58 P CA 2.081 65.186 63.100 0.008 0.000 0.800 58 P CB 0.133 31.877 31.700 0.074 0.000 0.772 59 E N -3.697 116.441 120.200 -0.103 0.000 2.479 59 E HA -0.017 4.374 4.350 0.069 0.000 0.193 59 E C 0.517 177.111 176.600 -0.010 0.000 1.049 59 E CA -0.263 56.167 56.400 0.050 0.000 0.870 59 E CB -0.132 29.703 29.700 0.226 0.000 0.944 59 E HN -0.071 8.127 8.360 -0.195 0.045 0.492 60 G N -1.002 107.575 108.800 -0.372 0.000 2.238 60 G HA2 -0.327 3.475 3.960 -0.263 0.000 0.217 60 G HA3 -0.327 3.647 3.960 0.023 0.000 0.217 60 G C -1.671 173.024 174.900 -0.342 0.000 0.996 60 G CA 0.107 45.038 45.100 -0.281 0.000 0.632 60 G HN 0.112 7.755 8.290 -0.781 0.178 0.503 61 H N -0.664 118.234 119.070 -0.287 0.000 2.551 61 H HA 0.305 4.851 4.556 -0.018 0.000 0.358 61 H C -1.097 174.101 175.328 -0.217 0.000 1.151 61 H CA -1.376 54.588 56.048 -0.140 0.000 1.374 61 H CB 0.824 30.536 29.762 -0.084 0.000 1.473 61 H HN -0.308 7.774 8.280 -0.204 0.076 0.574 62 G N -2.396 106.406 108.800 0.003 0.000 2.642 62 G HA2 0.661 4.546 3.960 -0.499 0.000 0.293 62 G HA3 0.661 4.322 3.960 -0.560 -0.038 0.293 62 G C -2.556 172.294 174.900 -0.085 0.000 1.341 62 G CA -0.772 44.139 45.100 -0.316 0.000 0.916 62 G HN -0.245 8.210 8.290 0.274 0.000 0.474 63 T N -2.564 111.728 114.554 -0.437 0.000 2.906 63 T HA 0.682 5.403 4.350 0.368 -0.151 0.295 63 T C -0.388 174.369 174.700 0.094 0.000 1.061 63 T CA -2.495 59.635 62.100 0.051 0.000 1.000 63 T CB 3.446 72.335 68.868 0.035 0.000 1.103 63 T HN -0.383 7.394 8.240 -0.771 0.000 0.486 64 V N 3.253 123.387 119.914 0.367 0.000 2.368 64 V HA 0.065 4.569 4.120 0.406 -0.141 0.266 64 V C -0.466 175.726 176.094 0.164 0.000 1.045 64 V CA 0.383 62.883 62.300 0.334 0.000 0.899 64 V CB -0.041 31.994 31.823 0.353 0.000 1.006 64 V HN -0.114 8.308 8.190 0.387 0.000 0.470 65 V N 7.906 127.884 119.914 0.107 0.000 3.528 65 V HA 0.127 4.282 4.120 0.058 0.000 0.294 65 V C -1.240 174.888 176.094 0.057 0.000 1.404 65 V CA -1.179 61.156 62.300 0.058 0.000 1.065 65 V CB 0.231 32.063 31.823 0.016 0.000 0.904 65 V HN -0.196 8.063 8.190 0.115 0.000 0.435 66 A N -0.837 122.031 122.820 0.078 0.000 2.465 66 A HA 0.330 4.682 4.320 0.053 0.000 0.292 66 A C -2.714 174.919 177.584 0.081 0.000 1.041 66 A CA -0.233 51.843 52.037 0.065 0.000 0.718 66 A CB 2.216 21.246 19.000 0.049 0.000 1.266 66 A HN -0.820 7.395 8.150 0.108 0.000 0.403 67 E N 3.590 123.833 120.200 0.071 0.000 2.354 67 E HA 0.486 5.068 4.350 0.087 -0.180 0.283 67 E C -2.348 174.288 176.600 0.060 0.000 0.938 67 E CA -0.567 55.880 56.400 0.078 0.000 0.777 67 E CB 3.799 33.553 29.700 0.089 0.000 1.222 67 E HN 0.191 8.587 8.360 0.059 0.000 0.423 68 A N 5.017 127.873 122.820 0.060 0.000 2.371 68 A HA 0.491 4.835 4.320 0.041 0.000 0.311 68 A C -2.000 175.611 177.584 0.045 0.000 1.068 68 A CA -1.033 51.032 52.037 0.047 0.000 0.744 68 A CB 3.173 22.198 19.000 0.042 0.000 1.239 68 A HN 0.392 8.586 8.150 0.073 0.000 0.435 69 R N 1.286 121.806 120.500 0.033 0.000 2.514 69 R HA 0.452 4.900 4.340 0.029 -0.091 0.301 69 R C 0.489 176.799 176.300 0.018 0.000 0.962 69 R CA -1.405 54.711 56.100 0.025 0.000 0.882 69 R CB 2.574 32.886 30.300 0.020 0.000 1.143 69 R HN 0.256 8.544 8.270 0.030 0.000 0.452 70 G N 1.664 110.471 108.800 0.013 0.000 2.985 70 G HA2 0.053 4.018 3.960 0.009 0.000 0.282 70 G HA3 0.053 4.046 3.960 0.003 -0.031 0.282 70 G C -0.200 174.703 174.900 0.006 0.000 0.791 70 G CA -0.133 44.972 45.100 0.007 0.000 1.934 70 G HN 0.572 8.869 8.290 0.013 0.000 0.563 71 G N 5.903 114.708 108.800 0.007 0.000 2.212 71 G HA2 -0.335 3.629 3.960 0.007 0.000 0.255 71 G HA3 -0.335 3.628 3.960 0.005 0.000 0.255 71 G C -0.421 174.482 174.900 0.005 0.000 1.062 71 G CA -0.213 44.891 45.100 0.006 0.000 0.815 71 G HN -0.372 7.888 8.290 0.010 0.036 0.497 72 E N -4.853 115.351 120.200 0.006 0.000 2.971 72 E HA -0.635 3.719 4.350 0.006 0.000 0.271 72 E C 0.865 177.465 176.600 0.000 0.000 1.053 72 E CA 1.116 57.519 56.400 0.005 0.000 0.817 72 E CB -1.376 28.327 29.700 0.004 0.000 1.410 72 E HN 0.148 8.513 8.360 0.009 0.000 0.445 73 R N -0.768 119.732 120.500 -0.001 0.000 2.083 73 R HA -0.250 4.088 4.340 -0.004 0.000 0.237 73 R C -0.108 176.185 176.300 -0.012 0.000 1.137 73 R CA 2.548 58.645 56.100 -0.005 0.000 0.951 73 R CB 0.238 30.536 30.300 -0.003 0.000 0.851 73 R HN -0.633 7.465 8.270 0.002 0.172 0.434 74 L N -2.149 119.065 121.223 -0.015 0.000 2.344 74 L HA 0.421 4.739 4.340 -0.036 0.000 0.272 74 L C -2.257 174.602 176.870 -0.018 0.000 1.035 74 L CA -3.647 51.175 54.840 -0.030 0.000 0.807 74 L CB 0.288 42.316 42.059 -0.053 0.000 1.237 74 L HN -0.520 7.705 8.230 -0.008 0.000 0.442 75 P HA 0.174 4.593 4.420 -0.001 0.000 0.276 75 P C -1.475 175.831 177.300 0.010 0.000 1.244 75 P CA -0.907 62.190 63.100 -0.005 0.000 0.801 75 P CB 1.242 32.937 31.700 -0.008 0.000 1.006 76 S N -0.370 115.343 115.700 0.022 0.000 2.448 76 S HA -0.066 4.768 4.470 0.044 -0.338 0.279 76 S C 0.424 175.058 174.600 0.058 0.000 1.195 76 S CA -1.406 56.818 58.200 0.039 0.000 1.051 76 S CB 0.039 63.260 63.200 0.036 0.000 0.948 76 S HN 0.009 8.329 8.310 0.017 0.000 0.493 77 L N 6.633 127.911 121.223 0.091 0.000 2.653 77 L HA 0.199 4.604 4.340 0.108 0.000 0.231 77 L C -0.748 176.218 176.870 0.160 0.000 1.153 77 L CA -1.085 53.840 54.840 0.143 0.000 0.933 77 L CB -0.085 42.120 42.059 0.243 0.000 1.175 77 L HN 0.383 9.132 8.230 0.090 -0.465 0.473 78 L N -0.387 120.906 121.223 0.118 0.000 2.559 78 L HA -0.539 3.885 4.340 0.141 0.000 0.274 78 L C 1.475 178.404 176.870 0.098 0.000 1.205 78 L CA 1.729 56.637 54.840 0.112 0.000 0.907 78 L CB -0.561 41.545 42.059 0.077 0.000 1.153 78 L HN -0.788 7.459 8.230 0.094 0.039 0.490 79 G N 2.614 111.483 108.800 0.114 0.000 2.176 79 G HA2 -0.458 3.551 3.960 0.082 0.000 0.253 79 G HA3 -0.458 3.537 3.960 0.058 0.000 0.253 79 G C -0.533 174.417 174.900 0.085 0.000 0.979 79 G CA -0.105 45.046 45.100 0.085 0.000 0.641 79 G HN 0.148 8.522 8.290 0.140 0.000 0.530 80 L N 0.152 121.443 121.223 0.113 0.000 2.395 80 L HA 0.116 4.447 4.340 -0.014 0.000 0.269 80 L C -0.409 176.519 176.870 0.097 0.000 1.133 80 L CA -0.202 54.657 54.840 0.033 0.000 0.812 80 L CB 0.661 42.686 42.059 -0.056 0.000 1.125 80 L HN -0.505 7.742 8.230 0.157 0.077 0.452 81 T N 1.745 116.284 114.554 -0.025 0.000 2.824 81 T HA 0.404 5.105 4.350 0.323 -0.158 0.280 81 T C -0.610 174.048 174.700 -0.071 0.000 0.995 81 T CA -0.757 61.403 62.100 0.100 0.000 1.009 81 T CB 1.501 70.411 68.868 0.071 0.000 0.955 81 T HN -0.063 8.117 8.240 -0.100 0.000 0.452 82 F N 6.025 126.085 119.950 0.183 0.000 2.361 82 F HA 0.438 5.001 4.527 0.059 0.000 0.364 82 F C -1.600 174.260 175.800 0.100 0.000 1.117 82 F CA -2.722 55.337 58.000 0.099 0.000 1.071 82 F CB 0.607 39.612 39.000 0.009 0.000 1.188 82 F HN -0.177 8.550 8.300 0.711 0.000 0.464 83 P HA -0.164 4.320 4.420 0.106 0.000 0.263 83 P C 0.012 177.397 177.300 0.141 0.000 1.168 83 P CA 0.327 63.498 63.100 0.118 0.000 0.759 83 P CB -0.055 31.683 31.700 0.062 0.000 0.782 84 A N 5.872 128.769 122.820 0.129 0.000 1.933 84 A HA -0.284 4.197 4.320 0.154 -0.068 0.218 84 A C 2.329 179.971 177.584 0.097 0.000 1.175 84 A CA 2.884 54.997 52.037 0.126 0.000 0.628 84 A CB 0.021 19.088 19.000 0.112 0.000 0.814 84 A HN 0.448 8.670 8.150 0.120 0.000 0.444 85 G N -3.542 105.302 108.800 0.073 0.000 2.549 85 G HA2 -0.260 3.731 3.960 0.053 0.000 0.222 85 G HA3 -0.260 3.725 3.960 0.043 0.000 0.222 85 G C 0.768 175.688 174.900 0.034 0.000 1.100 85 G CA 1.592 46.722 45.100 0.051 0.000 0.739 85 G HN 0.290 8.612 8.290 0.072 0.011 0.577 86 D N -0.152 120.268 120.400 0.034 0.000 2.269 86 D HA -0.056 4.561 4.640 -0.038 0.000 0.208 86 D C 0.438 176.715 176.300 -0.039 0.000 0.963 86 D CA 1.546 55.535 54.000 -0.018 0.000 0.864 86 D CB 0.427 41.217 40.800 -0.016 0.000 0.936 86 D HN -0.434 7.772 8.370 0.061 0.201 0.505 87 I N 0.205 120.781 120.570 0.010 0.000 2.405 87 I HA 0.240 4.391 4.170 -0.031 0.000 0.280 87 I C -1.758 174.383 176.117 0.041 0.000 1.027 87 I CA -2.456 58.849 61.300 0.010 0.000 1.161 87 I CB 0.485 38.507 38.000 0.036 0.000 1.300 87 I HN -0.064 8.011 8.210 0.048 0.164 0.463 88 P HA -0.142 4.304 4.420 0.043 0.000 0.213 88 P C -0.503 176.828 177.300 0.051 0.000 1.149 88 P CA 0.907 64.033 63.100 0.045 0.000 0.829 88 P CB 0.720 32.450 31.700 0.049 0.000 0.548 89 E N -5.430 114.801 120.200 0.052 0.000 2.895 89 E HA -0.074 4.295 4.350 0.033 0.000 0.254 89 E C 1.289 177.922 176.600 0.054 0.000 1.139 89 E CA 0.620 57.046 56.400 0.044 0.000 1.832 89 E CB 0.293 30.015 29.700 0.037 0.000 2.683 89 E HN -0.061 8.335 8.360 0.059 0.000 1.040 90 E N 0.626 120.869 120.200 0.072 0.000 2.147 90 E HA -0.320 4.079 4.350 0.082 0.000 0.199 90 E C 1.649 178.301 176.600 0.086 0.000 1.005 90 E CA 2.790 59.245 56.400 0.091 0.000 0.810 90 E CB -0.480 29.302 29.700 0.136 0.000 0.736 90 E HN 0.343 8.746 8.360 0.071 0.000 0.460 91 A N -0.331 122.551 122.820 0.104 0.000 1.929 91 A HA -0.142 4.231 4.320 0.089 0.000 0.216 91 A C 1.821 179.560 177.584 0.259 0.000 1.176 91 A CA 2.243 54.368 52.037 0.147 0.000 0.628 91 A CB -1.034 18.072 19.000 0.176 0.000 0.816 91 A HN 0.088 8.287 8.150 0.100 0.011 0.444 92 R N -1.795 118.816 120.500 0.185 0.000 2.120 92 R HA -0.286 4.216 4.340 0.270 0.000 0.234 92 R C 2.477 178.861 176.300 0.140 0.000 1.123 92 R CA 2.954 59.153 56.100 0.164 0.000 0.975 92 R CB -0.374 29.918 30.300 -0.012 0.000 0.866 92 R HN 0.070 8.323 8.270 0.115 0.086 0.446 93 R N -1.483 119.057 120.500 0.066 0.000 2.096 93 R HA -0.291 4.040 4.340 -0.014 0.000 0.235 93 R C 2.390 178.695 176.300 0.009 0.000 1.127 93 R CA 3.426 59.536 56.100 0.016 0.000 0.968 93 R CB -0.401 29.904 30.300 0.007 0.000 0.861 93 R HN -0.215 8.076 8.270 0.064 0.017 0.440 94 L N -1.871 119.345 121.223 -0.010 0.000 2.083 94 L HA -0.342 3.928 4.340 -0.118 0.000 0.209 94 L C 2.112 178.861 176.870 -0.201 0.000 1.083 94 L CA 3.355 58.109 54.840 -0.143 0.000 0.752 94 L CB -0.416 41.494 42.059 -0.248 0.000 0.899 94 L HN -0.650 7.489 8.230 0.028 0.108 0.433 95 F N -2.376 117.537 119.950 -0.061 0.000 2.234 95 F HA -0.370 4.124 4.527 -0.055 0.000 0.299 95 F C 2.352 178.109 175.800 -0.072 0.000 1.087 95 F CA 3.765 61.727 58.000 -0.063 0.000 1.340 95 F CB -0.417 38.545 39.000 -0.064 0.000 1.031 95 F HN -0.927 7.498 8.300 0.226 0.011 0.500 96 R N -1.330 119.224 120.500 0.089 0.000 2.119 96 R HA -0.248 4.089 4.340 -0.005 0.000 0.222 96 R C 0.991 177.276 176.300 -0.026 0.000 1.088 96 R CA 2.518 58.616 56.100 -0.002 0.000 0.984 96 R CB 0.222 30.489 30.300 -0.054 0.000 0.884 96 R HN -0.779 7.446 8.270 0.109 0.111 0.447 97 L N -3.630 117.571 121.223 -0.036 0.000 2.253 97 L HA 0.032 4.347 4.340 -0.042 0.000 0.205 97 L C 1.169 178.003 176.870 -0.061 0.000 1.078 97 L CA 1.796 56.606 54.840 -0.049 0.000 0.805 97 L CB 0.932 42.960 42.059 -0.052 0.000 0.963 97 L HN -0.109 7.904 8.230 -0.034 0.197 0.459 98 A N -4.176 118.590 122.820 -0.089 0.000 2.390 98 A HA 0.120 4.394 4.320 -0.078 0.000 0.225 98 A C -0.629 176.891 177.584 -0.107 0.000 1.232 98 A CA -0.028 51.947 52.037 -0.103 0.000 0.964 98 A CB 1.522 20.441 19.000 -0.135 0.000 1.064 98 A HN 0.388 8.343 8.150 -0.107 0.131 0.525 99 Q N -3.317 116.423 119.800 -0.101 0.000 2.443 99 Q HA -0.383 4.042 4.340 0.018 -0.073 0.337 99 Q C -1.638 174.292 176.000 -0.116 0.000 1.401 99 Q CA 1.094 56.865 55.803 -0.054 0.000 0.943 99 Q CB -2.424 26.308 28.738 -0.010 0.000 1.177 99 Q HN -0.397 7.719 8.270 -0.094 0.097 0.394 100 V N -8.803 110.957 119.914 -0.257 0.000 2.671 100 V HA 0.232 4.250 4.120 -0.170 0.000 0.292 100 V C -2.110 173.769 176.094 -0.358 0.000 1.115 100 V CA -1.152 61.006 62.300 -0.237 0.000 0.918 100 V CB 1.401 33.121 31.823 -0.172 0.000 1.036 100 V HN -0.666 7.278 8.190 -0.410 0.000 0.445 101 R N 5.687 126.031 120.500 -0.259 0.000 2.633 101 R HA 0.261 4.489 4.340 -0.187 0.000 0.256 101 R C -2.869 173.414 176.300 -0.028 0.000 1.131 101 R CA 0.446 56.428 56.100 -0.197 0.000 0.994 101 R CB 3.977 34.051 30.300 -0.377 0.000 1.261 101 R HN 0.166 8.339 8.270 -0.163 0.000 0.446 102 V N 2.944 122.855 119.914 -0.005 0.000 3.147 102 V HA 0.232 4.380 4.120 0.046 0.000 0.306 102 V C -1.496 174.642 176.094 0.073 0.000 1.209 102 V CA -1.329 60.989 62.300 0.031 0.000 1.023 102 V CB 4.303 36.122 31.823 -0.006 0.000 1.059 102 V HN 0.141 8.322 8.190 -0.015 0.000 0.435 103 I N 3.242 123.863 120.570 0.085 0.000 2.378 103 I HA 0.247 4.452 4.170 0.059 0.000 0.291 103 I C -0.354 175.792 176.117 0.049 0.000 0.992 103 I CA -1.144 60.196 61.300 0.066 0.000 1.154 103 I CB 2.270 40.311 38.000 0.068 0.000 1.315 103 I HN 0.247 8.509 8.210 0.087 0.000 0.448 104 V N 2.824 122.755 119.914 0.029 0.000 3.295 104 V HA 0.199 4.338 4.120 0.031 0.000 0.308 104 V C -0.371 175.723 176.094 0.001 0.000 1.068 104 V CA -2.052 60.260 62.300 0.019 0.000 1.062 104 V CB 0.726 32.556 31.823 0.011 0.000 1.162 104 V HN 0.183 8.386 8.190 0.021 0.000 0.456 105 D N 0.498 120.897 120.400 -0.001 0.000 2.554 105 D HA -0.154 4.650 4.640 0.005 -0.161 0.251 105 D C 1.221 177.514 176.300 -0.011 0.000 1.213 105 D CA 0.825 54.823 54.000 -0.003 0.000 0.900 105 D CB -0.699 40.098 40.800 -0.004 0.000 1.135 105 D HN 0.083 8.452 8.370 -0.002 0.000 0.522 106 V N 4.473 124.378 119.914 -0.016 0.000 2.660 106 V HA -0.470 3.616 4.120 -0.057 0.000 0.257 106 V C 1.233 177.320 176.094 -0.011 0.000 1.088 106 V CA 3.350 65.631 62.300 -0.032 0.000 1.106 106 V CB -0.227 31.578 31.823 -0.030 0.000 0.686 106 V HN -0.030 8.155 8.190 -0.008 0.000 0.481 107 E N -0.525 119.675 120.200 0.001 0.000 2.122 107 E HA -0.190 4.170 4.350 0.016 0.000 0.190 107 E C 0.534 177.137 176.600 0.004 0.000 0.977 107 E CA 1.723 58.128 56.400 0.008 0.000 0.820 107 E CB -0.383 29.323 29.700 0.009 0.000 0.770 107 E HN -0.131 8.175 8.360 0.001 0.055 0.462 108 A N -1.795 121.023 122.820 -0.002 0.000 2.186 108 A HA -0.179 4.139 4.320 -0.003 0.000 0.219 108 A C -0.979 176.603 177.584 -0.003 0.000 1.159 108 A CA 0.776 52.810 52.037 -0.004 0.000 0.680 108 A CB -0.143 18.852 19.000 -0.009 0.000 0.787 108 A HN -0.575 7.471 8.150 -0.004 0.102 0.467 109 Q N -3.338 116.459 119.800 -0.004 0.000 2.459 109 Q HA -0.395 3.939 4.340 -0.009 0.000 0.322 109 Q C -1.443 174.554 176.000 -0.006 0.000 1.427 109 Q CA 0.306 56.107 55.803 -0.003 0.000 0.861 109 Q CB -1.848 26.896 28.738 0.010 0.000 1.137 109 Q HN -0.350 7.730 8.270 -0.006 0.186 0.394 110 S N 0.250 115.941 115.700 -0.014 0.000 2.452 110 S HA 0.050 4.517 4.470 -0.005 0.000 0.284 110 S C -0.739 173.854 174.600 -0.012 0.000 1.171 110 S CA -0.040 58.154 58.200 -0.010 0.000 1.064 110 S CB 0.359 63.553 63.200 -0.010 0.000 0.967 110 S HN 0.084 8.381 8.310 -0.022 0.000 0.484 111 R N 5.068 125.567 120.500 -0.001 0.000 2.637 111 R HA 0.285 4.622 4.340 -0.005 0.000 0.291 111 R C -1.091 175.219 176.300 0.018 0.000 0.963 111 R CA -1.090 55.014 56.100 0.006 0.000 0.901 111 R CB 2.940 33.249 30.300 0.016 0.000 1.160 111 R HN 0.402 8.673 8.270 0.003 0.000 0.457 112 S N 0.929 116.646 115.700 0.028 0.000 2.578 112 S HA 0.167 4.659 4.470 0.037 0.000 0.301 112 S C -1.661 172.977 174.600 0.062 0.000 1.091 112 S CA -1.018 57.208 58.200 0.044 0.000 1.032 112 S CB 0.906 64.135 63.200 0.049 0.000 1.064 112 S HN 0.210 8.535 8.310 0.025 0.000 0.508 113 I N -1.113 119.508 120.570 0.084 0.000 2.913 113 I HA 0.355 4.576 4.170 0.086 0.000 0.302 113 I C -1.760 174.446 176.117 0.148 0.000 1.246 113 I CA -1.410 59.949 61.300 0.098 0.000 1.010 113 I CB 3.802 41.852 38.000 0.083 0.000 1.259 113 I HN -0.134 8.128 8.210 0.087 0.000 0.434 114 S N 3.159 118.934 115.700 0.126 0.000 2.707 114 S HA 0.190 4.804 4.470 0.240 0.000 0.276 114 S C -0.817 173.833 174.600 0.083 0.000 1.179 114 S CA -0.002 58.278 58.200 0.133 0.000 0.992 114 S CB 0.446 63.684 63.200 0.064 0.000 1.030 114 S HN 0.084 8.449 8.310 0.092 0.000 0.554 115 Q N 0.206 119.982 119.800 -0.039 0.000 2.451 115 Q HA 0.405 4.736 4.340 -0.015 0.000 0.281 115 Q C -1.815 174.073 176.000 -0.186 0.000 1.099 115 Q CA -2.478 53.267 55.803 -0.096 0.000 0.806 115 Q CB 0.715 29.395 28.738 -0.097 0.000 1.419 115 Q HN 0.157 8.347 8.270 -0.132 0.000 0.427 116 P HA -0.223 4.143 4.420 -0.090 0.000 0.219 116 P C -1.062 176.125 177.300 -0.188 0.000 1.149 116 P CA 1.507 64.535 63.100 -0.121 0.000 0.835 116 P CB 0.325 31.975 31.700 -0.083 0.000 0.778 117 E N -3.524 116.485 120.200 -0.317 0.000 2.249 117 E HA 0.235 4.415 4.350 -0.283 0.000 0.263 117 E C -1.157 175.062 176.600 -0.635 0.000 0.950 117 E CA -1.085 55.065 56.400 -0.416 0.000 0.827 117 E CB 2.432 31.874 29.700 -0.430 0.000 1.220 117 E HN -0.441 7.645 8.360 -0.353 0.063 0.411 118 S N 0.151 115.545 115.700 -0.511 0.000 2.537 118 S HA 0.175 4.362 4.470 -0.472 0.000 0.301 118 S C -0.690 173.646 174.600 -0.441 0.000 1.092 118 S CA -0.286 57.654 58.200 -0.432 0.000 1.048 118 S CB 1.190 64.282 63.200 -0.179 0.000 1.053 118 S HN 0.157 8.243 8.310 -0.373 0.000 0.501 119 W N 4.768 126.067 121.300 -0.001 0.000 2.570 119 W HA 0.260 4.916 4.660 -0.007 0.000 0.337 119 W C -1.246 175.269 176.519 -0.007 0.000 1.067 119 W CA -0.310 57.032 57.345 -0.006 0.000 1.229 119 W CB 1.464 30.919 29.460 -0.008 0.000 1.355 119 W HN 0.413 8.624 8.180 0.051 0.000 0.555 120 G N -0.767 108.168 108.800 0.224 0.000 3.038 120 G HA2 -0.008 4.017 3.960 0.108 0.000 0.168 120 G HA3 -0.008 4.000 3.960 0.080 0.000 0.168 120 G C 0.306 175.257 174.900 0.084 0.000 1.559 120 G CA 0.484 45.654 45.100 0.116 0.000 0.990 120 G HN -0.150 8.299 8.290 0.264 0.000 0.765 121 L N 0.820 122.079 121.223 0.061 0.000 2.450 121 L HA -0.007 4.345 4.340 0.020 0.000 0.224 121 L C 1.970 178.863 176.870 0.038 0.000 1.149 121 L CA 1.320 56.181 54.840 0.036 0.000 0.816 121 L CB -0.328 41.746 42.059 0.026 0.000 0.932 121 L HN 0.093 8.358 8.230 0.059 0.000 0.449 122 S N 0.628 116.374 115.700 0.078 0.000 2.440 122 S HA -0.334 4.166 4.470 0.050 0.000 0.240 122 S C 1.460 176.052 174.600 -0.013 0.000 1.014 122 S CA 2.805 61.040 58.200 0.059 0.000 0.980 122 S CB -0.537 62.748 63.200 0.142 0.000 0.775 122 S HN 0.141 8.458 8.310 0.120 0.065 0.499 123 A N 1.594 124.405 122.820 -0.015 0.000 2.131 123 A HA -0.287 3.979 4.320 -0.089 0.000 0.220 123 A C 0.593 178.145 177.584 -0.053 0.000 1.158 123 A CA 2.032 54.037 52.037 -0.054 0.000 0.665 123 A CB -0.624 18.349 19.000 -0.045 0.000 0.795 123 A HN -0.584 7.531 8.150 0.018 0.045 0.460 124 R N -2.771 117.709 120.500 -0.032 0.000 2.332 124 R HA -0.261 4.060 4.340 -0.032 0.000 0.239 124 R C 0.186 176.462 176.300 -0.041 0.000 1.160 124 R CA 1.462 57.543 56.100 -0.031 0.000 1.020 124 R CB 0.270 30.560 30.300 -0.018 0.000 0.859 124 R HN -0.076 8.000 8.270 -0.017 0.184 0.478 125 V N -2.737 117.145 119.914 -0.053 0.000 2.583 125 V HA 0.301 4.392 4.120 -0.048 0.000 0.287 125 V C -2.055 173.997 176.094 -0.070 0.000 1.051 125 V CA -3.595 58.669 62.300 -0.060 0.000 1.010 125 V CB 0.340 32.118 31.823 -0.074 0.000 0.988 125 V HN -0.579 7.480 8.190 -0.058 0.096 0.478 126 P HA 0.168 4.548 4.420 -0.068 0.000 0.287 126 P C -0.446 176.812 177.300 -0.070 0.000 1.307 126 P CA -0.375 62.688 63.100 -0.063 0.000 0.777 126 P CB -0.018 31.653 31.700 -0.048 0.000 0.883 127 L N 3.600 124.772 121.223 -0.084 0.000 4.677 127 L HA -0.419 3.860 4.340 -0.102 0.000 0.053 127 L C 0.501 177.318 176.870 -0.088 0.000 3.241 127 L CA 1.185 55.973 54.840 -0.086 0.000 1.515 127 L CB -1.638 40.382 42.059 -0.065 0.000 2.946 127 L HN 0.469 8.644 8.230 -0.092 0.000 0.845 128 G N -2.959 105.799 108.800 -0.070 0.000 2.132 128 G HA2 -0.131 3.795 3.960 -0.056 0.000 0.228 128 G HA3 -0.131 3.782 3.960 -0.078 0.000 0.228 128 G C -0.961 173.894 174.900 -0.074 0.000 1.000 128 G CA -0.441 44.617 45.100 -0.069 0.000 0.693 128 G HN 0.159 8.414 8.290 -0.059 0.000 0.515 129 E N -0.980 119.179 120.200 -0.068 0.000 2.343 129 E HA 0.325 4.636 4.350 -0.065 0.000 0.270 129 E C -2.016 174.557 176.600 -0.044 0.000 0.895 129 E CA -2.281 54.081 56.400 -0.064 0.000 0.767 129 E CB 0.934 30.587 29.700 -0.079 0.000 1.248 129 E HN -0.338 7.954 8.360 -0.063 0.031 0.440 130 P HA -0.095 4.309 4.420 -0.026 0.000 0.272 130 P C -0.456 176.832 177.300 -0.019 0.000 1.225 130 P CA 0.257 63.340 63.100 -0.027 0.000 0.800 130 P CB 0.597 32.282 31.700 -0.025 0.000 0.894 131 L N -3.734 117.479 121.223 -0.016 0.000 2.784 131 L HA -0.208 4.135 4.340 0.005 0.000 0.247 131 L C -0.971 175.904 176.870 0.008 0.000 1.162 131 L CA 0.719 55.555 54.840 -0.006 0.000 0.881 131 L CB -0.360 41.684 42.059 -0.025 0.000 1.032 131 L HN 0.100 8.318 8.230 -0.020 0.000 0.446 132 Q N -4.030 115.771 119.800 0.002 0.000 2.456 132 Q HA 0.205 4.569 4.340 0.040 0.000 0.283 132 Q C -0.843 175.159 176.000 0.004 0.000 1.084 132 Q CA -2.028 53.783 55.803 0.013 0.000 0.801 132 Q CB 2.680 31.417 28.738 -0.002 0.000 1.434 132 Q HN -0.380 7.731 8.270 -0.009 0.154 0.419 133 R N 0.839 121.347 120.500 0.013 0.000 2.451 133 R HA 0.500 4.828 4.340 -0.019 0.000 0.307 133 R C -2.147 174.157 176.300 0.006 0.000 0.965 133 R CA -3.015 53.083 56.100 -0.003 0.000 0.865 133 R CB 1.378 31.672 30.300 -0.009 0.000 1.174 133 R HN 0.059 8.348 8.270 0.032 0.000 0.455 134 P HA 0.138 4.559 4.420 0.003 0.000 0.288 134 P C -1.907 175.406 177.300 0.021 0.000 1.267 134 P CA -0.776 62.327 63.100 0.005 0.000 0.815 134 P CB 0.743 32.444 31.700 0.001 0.000 0.989 135 V N -2.268 117.660 119.914 0.023 0.000 2.495 135 V HA 0.281 4.445 4.120 0.073 0.000 0.298 135 V C -0.546 175.569 176.094 0.035 0.000 1.031 135 V CA -2.631 59.702 62.300 0.055 0.000 0.871 135 V CB 1.992 33.868 31.823 0.088 0.000 0.988 135 V HN -0.076 8.116 8.190 0.004 0.000 0.432 136 D N 5.123 125.561 120.400 0.063 0.000 2.405 136 D HA -0.176 4.751 4.640 0.045 -0.259 0.232 136 D C 0.172 176.483 176.300 0.019 0.000 1.240 136 D CA -0.383 53.649 54.000 0.054 0.000 0.881 136 D CB 0.471 41.319 40.800 0.079 0.000 1.222 136 D HN 0.346 8.765 8.370 0.082 0.000 0.482 137 P HA -0.089 4.195 4.420 -0.226 0.000 0.223 137 P C 0.670 177.970 177.300 0.001 0.000 1.151 137 P CA 1.911 64.971 63.100 -0.066 0.000 0.787 137 P CB -0.143 31.596 31.700 0.066 0.000 0.788 138 C N -0.240 119.122 119.300 0.105 0.000 2.413 138 C HA -0.344 4.243 4.460 0.213 0.000 0.278 138 C C 1.568 176.678 174.990 0.201 0.000 1.224 138 C CA 3.901 63.017 59.018 0.164 0.000 1.732 138 C CB -1.285 26.532 27.740 0.128 0.000 2.050 138 C HN -0.681 8.018 8.230 0.094 -0.413 0.463 139 H N 1.030 120.131 119.070 0.051 0.000 2.457 139 H HA -0.149 4.449 4.556 0.070 0.000 0.294 139 H C 2.214 177.597 175.328 0.093 0.000 1.064 139 H CA 2.129 58.217 56.048 0.066 0.000 1.330 139 H CB -0.525 29.256 29.762 0.032 0.000 1.395 139 H HN -0.080 8.639 8.280 0.217 -0.309 0.541 140 V N 0.052 119.871 119.914 -0.157 0.000 2.237 140 V HA -0.590 3.294 4.120 -0.394 0.000 0.245 140 V C 1.827 177.795 176.094 -0.210 0.000 1.046 140 V CA 4.589 66.700 62.300 -0.315 0.000 1.007 140 V CB -0.528 31.062 31.823 -0.388 0.000 0.638 140 V HN -0.681 7.352 8.190 -0.071 0.115 0.445 141 H N -1.415 117.689 119.070 0.057 0.000 2.387 141 H HA -0.311 4.261 4.556 0.027 0.000 0.299 141 H C 2.373 177.756 175.328 0.091 0.000 1.090 141 H CA 3.393 59.478 56.048 0.062 0.000 1.332 141 H CB -0.147 29.658 29.762 0.071 0.000 1.386 141 H HN -0.473 7.567 8.280 -0.401 0.000 0.516 142 Y N 0.679 121.074 120.300 0.158 0.000 2.181 142 Y HA -0.342 4.294 4.550 0.143 0.000 0.284 142 Y C 1.308 177.273 175.900 0.109 0.000 1.179 142 Y CA 3.468 61.660 58.100 0.153 0.000 1.179 142 Y CB -0.421 38.177 38.460 0.230 0.000 0.973 142 Y HN -0.698 7.807 8.280 0.389 0.008 0.519 143 L N -3.605 117.691 121.223 0.122 0.000 2.072 143 L HA -0.387 3.974 4.340 0.036 0.000 0.205 143 L C 2.046 178.901 176.870 -0.024 0.000 1.079 143 L CA 2.369 57.225 54.840 0.027 0.000 0.752 143 L CB -0.357 41.693 42.059 -0.016 0.000 0.906 143 L HN -0.538 7.650 8.230 0.136 0.124 0.436 144 K N 0.763 121.167 120.400 0.008 0.000 2.063 144 K HA -0.281 4.150 4.320 0.014 -0.103 0.208 144 K C 3.127 179.718 176.600 -0.015 0.000 1.048 144 K CA 2.310 58.610 56.287 0.022 0.000 0.928 144 K CB -0.425 32.132 32.500 0.095 0.000 0.713 144 K HN -0.354 7.827 8.250 0.029 0.086 0.442 145 S N -1.029 114.647 115.700 -0.040 0.000 2.469 145 S HA -0.180 4.258 4.470 -0.053 0.000 0.238 145 S C 1.249 175.756 174.600 -0.154 0.000 0.998 145 S CA 2.863 61.007 58.200 -0.094 0.000 0.957 145 S CB -0.061 63.064 63.200 -0.124 0.000 0.764 145 S HN 0.673 8.855 8.310 -0.006 0.124 0.514 146 M N -1.347 118.145 119.600 -0.180 0.000 2.371 146 M HA 0.163 4.533 4.480 -0.184 0.000 0.246 146 M C 0.051 176.292 176.300 -0.097 0.000 1.103 146 M CA -0.933 54.261 55.300 -0.178 0.000 1.010 146 M CB 0.476 32.940 32.600 -0.227 0.000 1.457 146 M HN -0.478 7.576 8.290 -0.156 0.142 0.486 147 G N -1.812 106.953 108.800 -0.059 0.000 2.143 147 G HA2 -0.345 3.605 3.960 -0.016 0.000 0.248 147 G HA3 -0.345 3.596 3.960 -0.031 0.000 0.248 147 G C -1.324 173.573 174.900 -0.005 0.000 0.991 147 G CA 0.395 45.479 45.100 -0.027 0.000 0.689 147 G HN 0.047 8.093 8.290 -0.058 0.209 0.522 148 V N -1.103 118.812 119.914 0.001 0.000 2.547 148 V HA -0.025 4.133 4.120 0.064 0.000 0.299 148 V C -2.455 173.666 176.094 0.046 0.000 1.040 148 V CA -1.059 61.270 62.300 0.048 0.000 0.913 148 V CB 1.538 33.410 31.823 0.081 0.000 0.992 148 V HN -0.107 7.932 8.190 -0.019 0.140 0.449 149 A N 4.701 127.562 122.820 0.068 0.000 2.138 149 A HA 0.380 4.713 4.320 0.023 0.000 0.203 149 A C -1.435 176.178 177.584 0.049 0.000 1.286 149 A CA -0.025 52.039 52.037 0.045 0.000 0.929 149 A CB 2.448 21.474 19.000 0.044 0.000 0.975 149 A HN 0.434 8.642 8.150 0.098 0.000 0.480 150 S N -3.818 111.940 115.700 0.097 0.000 2.649 150 S HA 0.271 4.777 4.470 0.060 0.000 0.274 150 S C -1.773 172.931 174.600 0.173 0.000 1.176 150 S CA -0.024 58.231 58.200 0.091 0.000 0.988 150 S CB 1.544 64.772 63.200 0.046 0.000 1.071 150 S HN -0.384 8.009 8.310 0.138 0.000 0.478 151 S N 5.066 120.857 115.700 0.151 0.000 2.521 151 S HA 0.573 5.341 4.470 0.309 -0.113 0.295 151 S C -1.926 172.744 174.600 0.117 0.000 1.098 151 S CA -0.369 57.942 58.200 0.185 0.000 0.999 151 S CB 3.548 66.853 63.200 0.174 0.000 1.034 151 S HN -0.052 8.322 8.310 0.107 0.000 0.483 152 L N 5.016 126.300 121.223 0.102 0.000 2.289 152 L HA 0.244 4.592 4.340 0.013 0.000 0.285 152 L C -2.448 174.436 176.870 0.024 0.000 1.049 152 L CA -0.481 54.379 54.840 0.033 0.000 0.804 152 L CB 2.257 44.322 42.059 0.011 0.000 1.195 152 L HN -0.148 8.183 8.230 0.169 0.000 0.428 153 V N 6.308 126.249 119.914 0.044 0.000 2.417 153 V HA 0.311 4.590 4.120 0.040 -0.135 0.291 153 V C -1.577 174.593 176.094 0.128 0.000 1.024 153 V CA -1.056 61.305 62.300 0.101 0.000 0.861 153 V CB 1.446 33.410 31.823 0.234 0.000 0.985 153 V HN -0.318 7.888 8.190 0.027 0.000 0.436 154 V N 5.468 125.433 119.914 0.085 0.000 2.577 154 V HA 0.451 4.650 4.120 0.132 0.000 0.303 154 V C -2.615 173.527 176.094 0.080 0.000 1.042 154 V CA -3.810 58.544 62.300 0.090 0.000 0.872 154 V CB 3.469 35.310 31.823 0.030 0.000 0.998 154 V HN 0.152 8.364 8.190 0.037 0.000 0.423 155 P HA 0.177 4.588 4.420 -0.014 0.000 0.283 155 P C -1.761 175.583 177.300 0.073 0.000 1.271 155 P CA -1.731 61.412 63.100 0.072 0.000 0.841 155 P CB 1.199 33.002 31.700 0.172 0.000 1.122 156 L N 0.360 121.628 121.223 0.075 0.000 2.294 156 L HA 0.339 4.737 4.340 0.096 0.000 0.283 156 L C -1.015 175.960 176.870 0.176 0.000 1.015 156 L CA -1.006 53.903 54.840 0.114 0.000 0.831 156 L CB 0.599 42.726 42.059 0.114 0.000 1.217 156 L HN -0.310 7.954 8.230 0.057 0.000 0.420 157 M N -0.087 119.621 119.600 0.180 0.000 2.531 157 M HA 0.455 5.140 4.480 0.250 -0.055 0.286 157 M C -2.089 174.381 176.300 0.283 0.000 1.232 157 M CA -0.989 54.432 55.300 0.202 0.000 0.877 157 M CB 4.166 36.799 32.600 0.055 0.000 1.726 157 M HN 0.121 8.496 8.290 0.141 0.000 0.463 158 H N 2.950 122.160 119.070 0.232 0.000 2.609 158 H HA 0.383 4.914 4.556 -0.041 0.000 0.344 158 H C -0.698 174.674 175.328 0.074 0.000 1.040 158 H CA 0.192 56.313 56.048 0.122 0.000 1.216 158 H CB 2.792 32.748 29.762 0.324 0.000 1.529 158 H HN -0.019 8.465 8.280 0.339 0.000 0.519 159 H N 3.819 122.702 119.070 -0.313 0.000 1.452 159 H HA -0.434 3.988 4.556 -0.224 0.000 0.090 159 H C 0.131 175.397 175.328 -0.103 0.000 0.648 159 H CA 2.435 58.355 56.048 -0.214 0.000 1.901 159 H CB -1.334 28.326 29.762 -0.170 0.000 2.257 159 H HN 0.667 8.425 8.280 -0.869 0.000 0.961 160 Q N 1.744 121.596 119.800 0.087 0.000 2.319 160 Q HA 0.018 4.345 4.340 -0.021 0.000 0.202 160 Q C -0.442 175.506 176.000 -0.087 0.000 0.896 160 Q CA 0.096 55.891 55.803 -0.013 0.000 0.942 160 Q CB 0.929 29.653 28.738 -0.023 0.000 1.083 160 Q HN 0.161 8.527 8.270 0.161 0.000 0.510 161 E N 0.853 120.978 120.200 -0.125 0.000 2.202 161 E HA 0.141 4.286 4.350 -0.341 0.000 0.272 161 E C -2.370 173.951 176.600 -0.464 0.000 0.951 161 E CA -1.167 55.011 56.400 -0.369 0.000 0.813 161 E CB 2.508 31.859 29.700 -0.582 0.000 1.151 161 E HN -0.344 7.938 8.360 -0.020 0.065 0.398 162 L N 5.332 126.240 121.223 -0.526 0.000 2.272 162 L HA 0.047 4.253 4.340 -0.224 0.000 0.289 162 L C -1.209 175.371 176.870 -0.484 0.000 1.032 162 L CA 0.025 54.632 54.840 -0.388 0.000 0.810 162 L CB 0.976 42.853 42.059 -0.304 0.000 1.205 162 L HN 0.279 8.187 8.230 -0.537 0.000 0.422 163 W N 5.371 126.663 121.300 -0.014 0.000 2.735 163 W HA 0.038 4.740 4.660 0.070 0.000 0.264 163 W C -0.970 175.582 176.519 0.054 0.000 1.233 163 W CA 0.168 57.533 57.345 0.034 0.000 1.408 163 W CB 2.264 31.740 29.460 0.026 0.000 1.038 163 W HN 0.534 8.767 8.180 0.088 0.000 0.603 164 G N -5.428 103.505 108.800 0.223 0.000 2.634 164 G HA2 0.594 4.688 3.960 0.182 0.000 0.309 164 G HA3 0.594 4.771 3.960 0.139 -0.134 0.309 164 G C -2.955 171.986 174.900 0.068 0.000 1.299 164 G CA -0.144 45.048 45.100 0.153 0.000 0.798 164 G HN -0.532 7.865 8.290 0.178 0.000 0.490 165 L N -1.139 120.137 121.223 0.088 0.000 2.476 165 L HA 0.369 4.653 4.340 -0.093 0.000 0.269 165 L C -2.400 174.480 176.870 0.017 0.000 0.965 165 L CA 0.133 54.959 54.840 -0.024 0.000 0.845 165 L CB 4.193 46.181 42.059 -0.118 0.000 1.259 165 L HN 0.496 8.701 8.230 0.165 0.124 0.403 166 L N 5.853 127.069 121.223 -0.012 0.000 2.379 166 L HA 0.641 5.130 4.340 0.019 -0.137 0.269 166 L C -1.976 174.868 176.870 -0.045 0.000 1.084 166 L CA -1.039 53.799 54.840 -0.003 0.000 0.802 166 L CB 3.314 45.379 42.059 0.009 0.000 1.175 166 L HN 0.821 8.939 8.230 -0.024 0.098 0.448 167 V N 3.817 123.684 119.914 -0.078 0.000 2.852 167 V HA 0.600 4.844 4.120 -0.109 -0.189 0.300 167 V C -2.736 173.149 176.094 -0.348 0.000 1.205 167 V CA -1.700 60.499 62.300 -0.168 0.000 0.940 167 V CB 3.903 35.627 31.823 -0.164 0.000 1.047 167 V HN -0.212 7.943 8.190 -0.058 0.000 0.429 168 S N 7.767 123.273 115.700 -0.322 0.000 2.472 168 S HA 0.675 5.031 4.470 -0.428 -0.143 0.303 168 S C -1.206 173.125 174.600 -0.449 0.000 1.099 168 S CA -1.882 56.105 58.200 -0.355 0.000 1.077 168 S CB 2.292 65.479 63.200 -0.020 0.000 1.031 168 S HN 0.492 8.699 8.310 -0.171 0.000 0.487 169 H N 3.377 122.397 119.070 -0.084 0.000 2.511 169 H HA 0.438 5.050 4.556 0.093 0.000 0.328 169 H C -0.491 174.695 175.328 -0.237 0.000 1.044 169 H CA -1.613 54.408 56.048 -0.045 0.000 1.212 169 H CB 1.941 31.689 29.762 -0.024 0.000 1.428 169 H HN 0.747 8.815 8.280 -0.354 0.000 0.483 170 H N 5.079 124.226 119.070 0.128 0.000 2.587 170 H HA 0.310 4.913 4.556 0.079 0.000 0.325 170 H C -1.389 173.982 175.328 0.071 0.000 1.012 170 H CA -0.908 55.190 56.048 0.083 0.000 1.213 170 H CB 2.328 32.125 29.762 0.060 0.000 1.431 170 H HN 0.025 8.523 8.280 0.364 0.000 0.492 171 A N 4.226 127.122 122.820 0.127 0.000 2.119 171 A HA -0.100 4.378 4.320 0.078 -0.111 0.217 171 A C -0.891 176.740 177.584 0.079 0.000 1.153 171 A CA 1.337 53.423 52.037 0.083 0.000 0.692 171 A CB 0.966 19.994 19.000 0.046 0.000 0.799 171 A HN 0.157 8.360 8.150 0.089 0.000 0.458 172 E N -3.461 116.799 120.200 0.100 0.000 2.343 172 E HA 0.430 4.812 4.350 0.053 0.000 0.270 172 E C -2.697 173.945 176.600 0.071 0.000 0.895 172 E CA -3.925 52.517 56.400 0.070 0.000 0.767 172 E CB 1.446 31.178 29.700 0.053 0.000 1.248 172 E HN -0.519 7.874 8.360 0.139 0.050 0.440 173 P HA -0.232 4.347 4.420 0.006 -0.156 0.261 173 P C -1.284 176.013 177.300 -0.005 0.000 1.165 173 P CA 0.487 63.593 63.100 0.010 0.000 0.759 173 P CB 0.535 32.235 31.700 -0.001 0.000 0.772 174 R N 3.330 123.800 120.500 -0.051 0.000 3.179 174 R HA 0.195 4.502 4.340 -0.054 0.000 0.231 174 R C -2.035 174.183 176.300 -0.137 0.000 1.796 174 R CA -1.696 54.351 56.100 -0.089 0.000 1.233 174 R CB 0.777 31.019 30.300 -0.097 0.000 1.545 174 R HN 0.094 8.329 8.270 -0.060 0.000 0.552 175 P HA -0.117 4.216 4.420 -0.146 0.000 0.269 175 P C -1.545 175.678 177.300 -0.129 0.000 1.211 175 P CA -0.241 62.763 63.100 -0.160 0.000 0.781 175 P CB 0.498 32.080 31.700 -0.197 0.000 0.877 176 Y N -1.909 118.345 120.300 -0.077 0.000 2.387 176 Y HA 0.199 4.715 4.550 -0.056 0.000 0.330 176 Y C -0.349 175.536 175.900 -0.024 0.000 1.133 176 Y CA -1.633 56.435 58.100 -0.052 0.000 1.152 176 Y CB 1.265 39.699 38.460 -0.042 0.000 1.215 176 Y HN -0.172 7.748 8.280 -0.600 0.000 0.466 177 S N 1.412 117.207 115.700 0.158 0.000 2.586 177 S HA 0.238 4.696 4.470 -0.020 0.000 0.274 177 S C 1.153 175.883 174.600 0.217 0.000 1.281 177 S CA -1.461 56.795 58.200 0.094 0.000 1.035 177 S CB 1.379 64.619 63.200 0.068 0.000 0.962 177 S HN 0.422 8.849 8.310 0.195 0.000 0.512 178 Q N 4.191 124.074 119.800 0.138 0.000 2.226 178 Q HA -0.337 4.144 4.340 0.234 0.000 0.204 178 Q C 2.059 178.126 176.000 0.113 0.000 0.975 178 Q CA 3.406 59.299 55.803 0.151 0.000 0.866 178 Q CB 0.045 28.833 28.738 0.084 0.000 0.915 178 Q HN 0.712 9.018 8.270 0.060 0.000 0.440 179 E N 0.057 120.314 120.200 0.095 0.000 2.033 179 E HA -0.283 4.106 4.350 0.066 0.000 0.189 179 E C 1.971 178.634 176.600 0.104 0.000 0.979 179 E CA 3.224 59.674 56.400 0.082 0.000 0.802 179 E CB -0.233 29.510 29.700 0.072 0.000 0.763 179 E HN 0.389 8.774 8.360 0.088 0.027 0.449 180 E N -0.919 119.365 120.200 0.140 0.000 2.153 180 E HA -0.300 4.182 4.350 0.221 0.000 0.194 180 E C 2.415 179.101 176.600 0.145 0.000 0.988 180 E CA 2.527 59.041 56.400 0.189 0.000 0.811 180 E CB -0.417 29.415 29.700 0.219 0.000 0.746 180 E HN 0.151 8.591 8.360 0.133 0.000 0.466 181 L N -0.917 120.382 121.223 0.126 0.000 2.012 181 L HA -0.396 3.952 4.340 0.014 0.000 0.210 181 L C 1.382 178.259 176.870 0.012 0.000 1.073 181 L CA 3.898 58.763 54.840 0.042 0.000 0.748 181 L CB 0.001 42.070 42.059 0.017 0.000 0.891 181 L HN -0.018 8.292 8.230 0.163 0.018 0.431 182 Q N -1.239 118.577 119.800 0.028 0.000 1.990 182 Q HA -0.314 4.023 4.340 -0.005 0.000 0.200 182 Q C 2.461 178.458 176.000 -0.004 0.000 0.980 182 Q CA 3.135 58.942 55.803 0.008 0.000 0.832 182 Q CB -0.069 28.678 28.738 0.016 0.000 0.897 182 Q HN -0.517 7.784 8.270 0.053 0.000 0.427 183 V N 0.092 120.007 119.914 0.000 0.000 2.370 183 V HA -0.560 3.532 4.120 -0.046 0.000 0.252 183 V C 2.427 178.475 176.094 -0.077 0.000 1.068 183 V CA 4.058 66.332 62.300 -0.044 0.000 1.061 183 V CB -0.248 31.544 31.823 -0.052 0.000 0.656 183 V HN -0.481 7.724 8.190 0.026 0.000 0.455 184 V N -0.325 119.562 119.914 -0.045 0.000 2.323 184 V HA -0.484 3.580 4.120 -0.092 0.000 0.244 184 V C 1.356 177.431 176.094 -0.031 0.000 1.041 184 V CA 4.326 66.598 62.300 -0.046 0.000 1.025 184 V CB -0.420 31.408 31.823 0.009 0.000 0.656 184 V HN -0.497 7.679 8.190 -0.004 0.011 0.451 185 Q N 0.455 120.243 119.800 -0.021 0.000 2.173 185 Q HA -0.412 3.923 4.340 -0.008 0.000 0.208 185 Q C 2.463 178.454 176.000 -0.014 0.000 0.989 185 Q CA 3.439 59.232 55.803 -0.015 0.000 0.872 185 Q CB -0.056 28.670 28.738 -0.020 0.000 0.909 185 Q HN 0.011 8.108 8.270 -0.018 0.162 0.420 186 L N -0.167 121.042 121.223 -0.024 0.000 2.044 186 L HA -0.182 4.295 4.340 -0.017 -0.147 0.205 186 L C 1.763 178.613 176.870 -0.033 0.000 1.075 186 L CA 2.787 57.611 54.840 -0.026 0.000 0.747 186 L CB -0.112 41.927 42.059 -0.033 0.000 0.903 186 L HN 0.626 8.625 8.230 -0.029 0.214 0.435 187 L N -0.641 120.550 121.223 -0.053 0.000 2.012 187 L HA -0.536 3.766 4.340 -0.063 0.000 0.210 187 L C 1.678 178.529 176.870 -0.031 0.000 1.073 187 L CA 3.454 58.258 54.840 -0.060 0.000 0.748 187 L CB -0.499 41.503 42.059 -0.094 0.000 0.891 187 L HN -0.006 7.993 8.230 -0.064 0.193 0.431 188 A N -1.667 121.143 122.820 -0.017 0.000 1.883 188 A HA -0.488 3.835 4.320 0.005 0.000 0.217 188 A C 1.537 179.130 177.584 0.016 0.000 1.186 188 A CA 3.618 55.658 52.037 0.005 0.000 0.624 188 A CB -0.997 18.012 19.000 0.017 0.000 0.822 188 A HN 0.949 8.970 8.150 -0.021 0.117 0.444 189 D N -0.617 119.791 120.400 0.013 0.000 2.149 189 D HA -0.269 4.397 4.640 0.044 0.000 0.198 189 D C 3.357 179.668 176.300 0.018 0.000 0.990 189 D CA 3.133 57.147 54.000 0.024 0.000 0.839 189 D CB -0.541 40.266 40.800 0.011 0.000 0.948 189 D HN 0.013 8.208 8.370 0.004 0.177 0.460 190 Q N 0.360 120.158 119.800 -0.003 0.000 2.167 190 Q HA -0.302 4.034 4.340 -0.007 0.000 0.202 190 Q C 2.238 178.227 176.000 -0.018 0.000 0.970 190 Q CA 2.981 58.777 55.803 -0.013 0.000 0.855 190 Q CB -0.071 28.650 28.738 -0.028 0.000 0.911 190 Q HN 0.563 8.590 8.270 -0.010 0.237 0.438 191 V N 0.885 120.790 119.914 -0.014 0.000 2.346 191 V HA -0.407 3.692 4.120 -0.034 0.000 0.244 191 V C 1.748 177.829 176.094 -0.022 0.000 1.037 191 V CA 3.681 65.969 62.300 -0.021 0.000 1.029 191 V CB -0.337 31.480 31.823 -0.011 0.000 0.663 191 V HN 0.285 8.227 8.190 -0.009 0.243 0.454 192 S N 1.295 117.006 115.700 0.019 0.000 2.402 192 S HA -0.397 4.108 4.470 0.058 0.000 0.233 192 S C 2.715 177.312 174.600 -0.004 0.000 1.030 192 S CA 4.095 62.330 58.200 0.059 0.000 1.003 192 S CB -0.604 62.678 63.200 0.137 0.000 0.813 192 S HN 0.780 8.975 8.310 0.028 0.133 0.477 193 I N 2.141 122.705 120.570 -0.009 0.000 2.439 193 I HA -0.209 3.895 4.170 -0.111 0.000 0.251 193 I C 1.416 177.433 176.117 -0.167 0.000 1.139 193 I CA 3.121 64.378 61.300 -0.072 0.000 1.438 193 I CB -0.332 37.668 38.000 -0.001 0.000 1.085 193 I HN -0.299 7.787 8.210 0.010 0.129 0.427 194 A N 0.886 123.636 122.820 -0.118 0.000 1.898 194 A HA -0.226 4.026 4.320 -0.114 0.000 0.216 194 A C 1.789 179.266 177.584 -0.177 0.000 1.181 194 A CA 3.283 55.246 52.037 -0.123 0.000 0.620 194 A CB -1.023 17.927 19.000 -0.083 0.000 0.819 194 A HN -0.002 7.970 8.150 -0.080 0.130 0.442 195 I N -5.018 115.429 120.570 -0.206 0.000 2.361 195 I HA -0.485 3.547 4.170 -0.230 0.000 0.251 195 I C 1.549 177.417 176.117 -0.416 0.000 1.133 195 I CA 3.272 64.402 61.300 -0.283 0.000 1.413 195 I CB -0.711 37.114 38.000 -0.291 0.000 1.073 195 I HN -0.015 8.095 8.210 -0.166 0.000 0.424 196 A N 0.344 122.880 122.820 -0.475 0.000 1.854 196 A HA -0.346 3.604 4.320 -0.616 0.000 0.214 196 A C 2.037 179.399 177.584 -0.370 0.000 1.192 196 A CA 2.900 54.591 52.037 -0.576 0.000 0.611 196 A CB -0.559 17.807 19.000 -1.057 0.000 0.832 196 A HN -0.663 7.121 8.150 -0.413 0.118 0.442 197 Q N -1.388 118.239 119.800 -0.288 0.000 2.084 197 Q HA -0.342 3.912 4.340 -0.143 0.000 0.202 197 Q C 2.627 178.542 176.000 -0.142 0.000 0.978 197 Q CA 2.781 58.482 55.803 -0.170 0.000 0.844 197 Q CB 0.175 28.840 28.738 -0.122 0.000 0.898 197 Q HN -0.008 8.079 8.270 -0.306 0.000 0.426 198 A N -1.746 120.979 122.820 -0.158 0.000 1.969 198 A HA -0.224 4.037 4.320 -0.100 0.000 0.218 198 A C 1.755 179.256 177.584 -0.138 0.000 1.169 198 A CA 2.562 54.522 52.037 -0.130 0.000 0.635 198 A CB -0.678 18.245 19.000 -0.128 0.000 0.810 198 A HN 0.419 8.349 8.150 -0.182 0.111 0.445 199 E N -0.985 119.101 120.200 -0.191 0.000 2.085 199 E HA -0.294 3.951 4.350 -0.175 0.000 0.194 199 E C 2.051 178.578 176.600 -0.121 0.000 0.994 199 E CA 2.261 58.548 56.400 -0.188 0.000 0.801 199 E CB -0.363 29.166 29.700 -0.284 0.000 0.743 199 E HN -0.727 7.374 8.360 -0.239 0.116 0.453 200 L N -1.488 119.673 121.223 -0.103 0.000 2.081 200 L HA -0.275 4.036 4.340 -0.049 0.000 0.212 200 L C 1.434 178.274 176.870 -0.050 0.000 1.080 200 L CA 2.355 57.158 54.840 -0.061 0.000 0.754 200 L CB 0.117 42.148 42.059 -0.046 0.000 0.893 200 L HN -0.563 7.593 8.230 -0.124 0.000 0.433 201 S N -0.643 115.023 115.700 -0.058 0.000 2.359 201 S HA -0.309 4.139 4.470 -0.037 0.000 0.222 201 S C 0.738 175.314 174.600 -0.041 0.000 1.038 201 S CA 1.996 60.168 58.200 -0.046 0.000 1.051 201 S CB -0.150 63.020 63.200 -0.051 0.000 0.944 201 S HN -0.459 7.695 8.310 -0.072 0.113 0.433 202 L N 0.000 121.193 121.223 -0.049 0.000 2.949 202 L HA 0.000 4.320 4.340 -0.033 0.000 0.249 202 L CA 0.000 54.816 54.840 -0.041 0.000 0.813 202 L CB 0.000 42.029 42.059 -0.049 0.000 0.961 202 L HN 0.000 8.192 8.230 -0.063 0.000 0.502